USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 837 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.863 K(o=-0.86,f=-1.5) USER MOD Set 2.1: A 42 HIS : no HD1:sc= 0 X(o=-4,f=-4) USER MOD Set 2.2: A 56 GLN : amide:sc= -3.98! C(o=-4!,f=-4.3!) USER MOD Set 3.1: A 28 MET CE :methyl -149:sc= 0 (180deg=-1.04) USER MOD Set 3.2: A 35 THR OG1 : rot 75:sc= 0.238 USER MOD Set 4.1: A 17 TYR OH : rot -15:sc= -0.345 USER MOD Set 4.2: A 83 SER OG : rot -70:sc= 0.795 USER MOD Set 5.1: A 16 LYS NZ :NH3+ 143:sc= 1.2 (180deg=0) USER MOD Set 5.2: A 20 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.462 X(o=-0.46,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 150:sc= 1.18 USER MOD Single : A 31 SER OG : rot 28:sc= 0.36 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.629 X(o=-0.63,f=-0.74) USER MOD Single : A 39 MET CE :methyl -178:sc= 0 (180deg=-0.00355) USER MOD Single : A 50 SER OG : rot 150:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -4.05! C(o=-4.1!,f=-7.2!) USER MOD Single : A 69 HIS : no HD1:sc= -0.0613 X(o=-0.061,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -3.06 K(o=-3.1,f=-4.4!) USER MOD Single : A 74 THR OG1 : rot -92:sc= 0.0666 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.955 K(o=-0.95,f=-3.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -160:sc= -0.388 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00894 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.715 USER MOD Single : A 96 ASN : amide:sc= 1.25 K(o=1.3,f=-0.36) USER MOD Single : B 102 GLN : amide:sc= -2.03 K(o=-2,f=-11!) USER MOD Single : B 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 104 THR OG1 : rot 98:sc= 0.00881 USER MOD Single : B 105 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.2!) USER MOD Single : B 107 THR OG1 : rot 2:sc= 0.454 USER MOD Single : B 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.849 19.755 -3.289 1.00 1.49 N ATOM 2 CA GLY A 1 4.481 19.495 -3.791 1.00 1.50 C ATOM 3 C GLY A 1 3.819 18.346 -3.063 1.00 1.34 C ATOM 4 O GLY A 1 4.133 17.183 -3.318 1.00 1.45 O ATOM 0 H1 GLY A 1 6.266 20.550 -3.814 1.00 1.49 H new ATOM 0 H2 GLY A 1 5.808 19.992 -2.277 1.00 1.49 H new ATOM 0 H3 GLY A 1 6.435 18.906 -3.422 1.00 1.49 H new ATOM 0 HA2 GLY A 1 3.876 20.394 -3.676 1.00 1.50 H new ATOM 0 HA3 GLY A 1 4.522 19.273 -4.857 1.00 1.50 H new ATOM 10 N GLY A 2 2.909 18.666 -2.152 1.00 1.30 N ATOM 11 CA GLY A 2 2.218 17.635 -1.400 1.00 1.18 C ATOM 12 C GLY A 2 1.161 16.944 -2.231 1.00 1.19 C ATOM 13 O GLY A 2 1.398 15.864 -2.774 1.00 1.20 O ATOM 0 H GLY A 2 2.637 19.621 -1.920 1.00 1.30 H new ATOM 0 HA2 GLY A 2 2.940 16.899 -1.045 1.00 1.18 H new ATOM 0 HA3 GLY A 2 1.755 18.078 -0.518 1.00 1.18 H new ATOM 17 N SER A 3 -0.004 17.569 -2.331 1.00 1.25 N ATOM 18 CA SER A 3 -1.107 17.024 -3.107 1.00 1.29 C ATOM 19 C SER A 3 -0.769 17.065 -4.595 1.00 1.36 C ATOM 20 O SER A 3 -0.684 18.137 -5.194 1.00 1.54 O ATOM 21 CB SER A 3 -2.384 17.818 -2.824 1.00 1.41 C ATOM 22 OG SER A 3 -2.487 18.135 -1.444 1.00 1.39 O ATOM 0 H SER A 3 -0.209 18.461 -1.880 1.00 1.25 H new ATOM 0 HA SER A 3 -1.271 15.986 -2.818 1.00 1.29 H new ATOM 0 HB2 SER A 3 -2.385 18.735 -3.413 1.00 1.41 H new ATOM 0 HB3 SER A 3 -3.254 17.239 -3.134 1.00 1.41 H new ATOM 0 HG SER A 3 -3.309 18.644 -1.286 1.00 1.39 H new ATOM 28 N MET A 4 -0.563 15.897 -5.181 1.00 1.28 N ATOM 29 CA MET A 4 -0.209 15.802 -6.589 1.00 1.37 C ATOM 30 C MET A 4 -0.648 14.465 -7.174 1.00 1.38 C ATOM 31 O MET A 4 -1.105 14.394 -8.318 1.00 1.57 O ATOM 32 CB MET A 4 1.305 15.974 -6.748 1.00 1.36 C ATOM 33 CG MET A 4 1.805 15.814 -8.174 1.00 1.51 C ATOM 34 SD MET A 4 1.289 17.162 -9.250 1.00 1.75 S ATOM 35 CE MET A 4 2.114 16.700 -10.770 1.00 1.95 C ATOM 0 H MET A 4 -0.635 14.999 -4.703 1.00 1.28 H new ATOM 0 HA MET A 4 -0.726 16.593 -7.132 1.00 1.37 H new ATOM 0 HB2 MET A 4 1.587 16.962 -6.385 1.00 1.36 H new ATOM 0 HB3 MET A 4 1.810 15.246 -6.114 1.00 1.36 H new ATOM 0 HG2 MET A 4 2.893 15.756 -8.168 1.00 1.51 H new ATOM 0 HG3 MET A 4 1.438 14.871 -8.579 1.00 1.51 H new ATOM 0 HE1 MET A 4 1.894 17.438 -11.542 1.00 1.95 H new ATOM 0 HE2 MET A 4 3.190 16.660 -10.602 1.00 1.95 H new ATOM 0 HE3 MET A 4 1.760 15.721 -11.093 1.00 1.95 H new ATOM 45 N ARG A 5 -0.507 13.410 -6.385 1.00 1.21 N ATOM 46 CA ARG A 5 -0.882 12.074 -6.824 1.00 1.23 C ATOM 47 C ARG A 5 -2.268 11.701 -6.301 1.00 1.21 C ATOM 48 O ARG A 5 -2.465 11.571 -5.091 1.00 1.14 O ATOM 49 CB ARG A 5 0.151 11.048 -6.355 1.00 1.15 C ATOM 50 CG ARG A 5 1.394 10.975 -7.234 1.00 1.23 C ATOM 51 CD ARG A 5 2.321 12.160 -7.014 1.00 1.22 C ATOM 52 NE ARG A 5 3.391 12.207 -8.011 1.00 1.29 N ATOM 53 CZ ARG A 5 4.474 12.975 -7.920 1.00 1.34 C ATOM 54 NH1 ARG A 5 4.658 13.762 -6.867 1.00 1.32 N ATOM 55 NH2 ARG A 5 5.381 12.952 -8.887 1.00 1.48 N ATOM 0 H ARG A 5 -0.135 13.453 -5.436 1.00 1.21 H new ATOM 0 HA ARG A 5 -0.911 12.071 -7.914 1.00 1.23 H new ATOM 0 HB2 ARG A 5 0.453 11.291 -5.336 1.00 1.15 H new ATOM 0 HB3 ARG A 5 -0.317 10.064 -6.323 1.00 1.15 H new ATOM 0 HG2 ARG A 5 1.932 10.051 -7.024 1.00 1.23 H new ATOM 0 HG3 ARG A 5 1.095 10.939 -8.282 1.00 1.23 H new ATOM 0 HD2 ARG A 5 1.745 13.084 -7.056 1.00 1.22 H new ATOM 0 HD3 ARG A 5 2.756 12.100 -6.016 1.00 1.22 H new ATOM 0 HE ARG A 5 3.301 11.610 -8.833 1.00 1.29 H new ATOM 0 HH11 ARG A 5 3.966 13.782 -6.118 1.00 1.32 H new ATOM 0 HH12 ARG A 5 5.492 14.347 -6.807 1.00 1.32 H new ATOM 0 HH21 ARG A 5 5.247 12.347 -9.697 1.00 1.48 H new ATOM 0 HH22 ARG A 5 6.212 13.539 -8.821 1.00 1.48 H new ATOM 69 N PRO A 6 -3.247 11.537 -7.209 1.00 1.28 N ATOM 70 CA PRO A 6 -4.623 11.177 -6.847 1.00 1.28 C ATOM 71 C PRO A 6 -4.703 9.804 -6.183 1.00 1.20 C ATOM 72 O PRO A 6 -4.186 8.817 -6.716 1.00 1.19 O ATOM 73 CB PRO A 6 -5.356 11.174 -8.194 1.00 1.41 C ATOM 74 CG PRO A 6 -4.298 10.974 -9.202 1.00 1.43 C ATOM 75 CD PRO A 6 -3.094 11.689 -8.666 1.00 1.37 C ATOM 0 HA PRO A 6 -5.052 11.867 -6.120 1.00 1.28 H new ATOM 0 HB2 PRO A 6 -6.099 10.377 -8.238 1.00 1.41 H new ATOM 0 HB3 PRO A 6 -5.885 12.113 -8.358 1.00 1.41 H new ATOM 0 HG2 PRO A 6 -4.092 9.914 -9.349 1.00 1.43 H new ATOM 0 HG3 PRO A 6 -4.596 11.378 -10.169 1.00 1.43 H new ATOM 0 HD2 PRO A 6 -2.166 11.243 -9.024 1.00 1.37 H new ATOM 0 HD3 PRO A 6 -3.080 12.737 -8.964 1.00 1.37 H new ATOM 83 N PRO A 7 -5.332 9.724 -5.001 1.00 1.16 N ATOM 84 CA PRO A 7 -5.472 8.468 -4.270 1.00 1.08 C ATOM 85 C PRO A 7 -6.349 7.457 -4.995 1.00 1.12 C ATOM 86 O PRO A 7 -7.232 7.814 -5.778 1.00 1.23 O ATOM 87 CB PRO A 7 -6.129 8.867 -2.945 1.00 1.05 C ATOM 88 CG PRO A 7 -5.995 10.348 -2.860 1.00 1.12 C ATOM 89 CD PRO A 7 -5.948 10.845 -4.278 1.00 1.20 C ATOM 0 HA PRO A 7 -4.504 7.982 -4.151 1.00 1.08 H new ATOM 0 HB2 PRO A 7 -7.176 8.566 -2.921 1.00 1.05 H new ATOM 0 HB3 PRO A 7 -5.638 8.380 -2.102 1.00 1.05 H new ATOM 0 HG2 PRO A 7 -6.836 10.785 -2.322 1.00 1.12 H new ATOM 0 HG3 PRO A 7 -5.091 10.627 -2.319 1.00 1.12 H new ATOM 0 HD2 PRO A 7 -6.944 11.073 -4.659 1.00 1.20 H new ATOM 0 HD3 PRO A 7 -5.357 11.756 -4.367 1.00 1.20 H new ATOM 97 N ILE A 8 -6.085 6.198 -4.721 1.00 1.04 N ATOM 98 CA ILE A 8 -6.822 5.093 -5.292 1.00 1.07 C ATOM 99 C ILE A 8 -7.941 4.685 -4.339 1.00 1.05 C ATOM 100 O ILE A 8 -7.719 3.893 -3.426 1.00 0.97 O ATOM 101 CB ILE A 8 -5.890 3.889 -5.526 1.00 1.04 C ATOM 102 CG1 ILE A 8 -4.685 4.295 -6.378 1.00 1.08 C ATOM 103 CG2 ILE A 8 -6.638 2.740 -6.173 1.00 1.09 C ATOM 104 CD1 ILE A 8 -4.981 4.415 -7.860 1.00 1.19 C ATOM 0 H ILE A 8 -5.341 5.909 -4.086 1.00 1.04 H new ATOM 0 HA ILE A 8 -7.242 5.407 -6.248 1.00 1.07 H new ATOM 0 HB ILE A 8 -5.527 3.552 -4.555 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -4.305 5.251 -6.017 1.00 1.08 H new ATOM 0 HG13 ILE A 8 -3.891 3.562 -6.236 1.00 1.08 H new ATOM 0 HG21 ILE A 8 -5.957 1.903 -6.327 1.00 1.09 H new ATOM 0 HG22 ILE A 8 -7.456 2.427 -5.524 1.00 1.09 H new ATOM 0 HG23 ILE A 8 -7.040 3.062 -7.134 1.00 1.09 H new ATOM 0 HD11 ILE A 8 -4.074 4.706 -8.390 1.00 1.19 H new ATOM 0 HD12 ILE A 8 -5.331 3.455 -8.240 1.00 1.19 H new ATOM 0 HD13 ILE A 8 -5.751 5.170 -8.017 1.00 1.19 H new ATOM 116 N ILE A 9 -9.116 5.279 -4.510 1.00 1.12 N ATOM 117 CA ILE A 9 -10.259 4.974 -3.664 1.00 1.12 C ATOM 118 C ILE A 9 -10.767 3.554 -3.920 1.00 1.13 C ATOM 119 O ILE A 9 -11.499 3.294 -4.878 1.00 1.21 O ATOM 120 CB ILE A 9 -11.406 5.987 -3.886 1.00 1.23 C ATOM 121 CG1 ILE A 9 -11.088 7.365 -3.297 1.00 1.23 C ATOM 122 CG2 ILE A 9 -12.700 5.473 -3.275 1.00 1.26 C ATOM 123 CD1 ILE A 9 -9.737 7.953 -3.654 1.00 1.20 C ATOM 0 H ILE A 9 -9.301 5.977 -5.230 1.00 1.12 H new ATOM 0 HA ILE A 9 -9.925 5.048 -2.629 1.00 1.12 H new ATOM 0 HB ILE A 9 -11.520 6.096 -4.965 1.00 1.23 H new ATOM 0 HG12 ILE A 9 -11.861 8.062 -3.621 1.00 1.23 H new ATOM 0 HG13 ILE A 9 -11.155 7.297 -2.211 1.00 1.23 H new ATOM 0 HG21 ILE A 9 -13.495 6.200 -3.442 1.00 1.26 H new ATOM 0 HG22 ILE A 9 -12.971 4.526 -3.741 1.00 1.26 H new ATOM 0 HG23 ILE A 9 -12.563 5.325 -2.204 1.00 1.26 H new ATOM 0 HD11 ILE A 9 -9.628 8.928 -3.179 1.00 1.20 H new ATOM 0 HD12 ILE A 9 -8.947 7.288 -3.304 1.00 1.20 H new ATOM 0 HD13 ILE A 9 -9.664 8.066 -4.736 1.00 1.20 H new ATOM 135 N ILE A 10 -10.340 2.639 -3.071 1.00 1.03 N ATOM 136 CA ILE A 10 -10.730 1.249 -3.161 1.00 1.03 C ATOM 137 C ILE A 10 -11.909 0.952 -2.257 1.00 1.04 C ATOM 138 O ILE A 10 -11.912 1.311 -1.083 1.00 0.99 O ATOM 139 CB ILE A 10 -9.560 0.337 -2.776 1.00 0.93 C ATOM 140 CG1 ILE A 10 -8.335 0.704 -3.598 1.00 0.93 C ATOM 141 CG2 ILE A 10 -9.926 -1.117 -2.999 1.00 0.94 C ATOM 142 CD1 ILE A 10 -7.041 0.155 -3.054 1.00 0.84 C ATOM 0 H ILE A 10 -9.709 2.842 -2.296 1.00 1.03 H new ATOM 0 HA ILE A 10 -11.019 1.056 -4.194 1.00 1.03 H new ATOM 0 HB ILE A 10 -9.336 0.475 -1.718 1.00 0.93 H new ATOM 0 HG12 ILE A 10 -8.472 0.340 -4.616 1.00 0.93 H new ATOM 0 HG13 ILE A 10 -8.261 1.790 -3.655 1.00 0.93 H new ATOM 0 HG21 ILE A 10 -9.084 -1.751 -2.721 1.00 0.94 H new ATOM 0 HG22 ILE A 10 -10.791 -1.373 -2.387 1.00 0.94 H new ATOM 0 HG23 ILE A 10 -10.167 -1.274 -4.050 1.00 0.94 H new ATOM 0 HD11 ILE A 10 -6.216 0.462 -3.698 1.00 0.84 H new ATOM 0 HD12 ILE A 10 -6.878 0.539 -2.047 1.00 0.84 H new ATOM 0 HD13 ILE A 10 -7.092 -0.933 -3.024 1.00 0.84 H new ATOM 154 N HIS A 11 -12.903 0.299 -2.814 1.00 1.13 N ATOM 155 CA HIS A 11 -14.099 -0.060 -2.080 1.00 1.17 C ATOM 156 C HIS A 11 -13.875 -1.341 -1.278 1.00 1.10 C ATOM 157 O HIS A 11 -13.025 -2.160 -1.629 1.00 1.08 O ATOM 158 CB HIS A 11 -15.247 -0.259 -3.067 1.00 1.31 C ATOM 159 CG HIS A 11 -15.713 1.003 -3.733 1.00 1.40 C ATOM 160 ND1 HIS A 11 -16.535 0.968 -4.835 1.00 1.57 N ATOM 161 CD2 HIS A 11 -15.442 2.293 -3.427 1.00 1.41 C ATOM 162 CE1 HIS A 11 -16.741 2.230 -5.171 1.00 1.64 C ATOM 163 NE2 HIS A 11 -16.099 3.067 -4.347 1.00 1.54 N ATOM 0 H HIS A 11 -12.907 0.001 -3.789 1.00 1.13 H new ATOM 0 HA HIS A 11 -14.344 0.741 -1.382 1.00 1.17 H new ATOM 0 HB2 HIS A 11 -14.933 -0.967 -3.834 1.00 1.31 H new ATOM 0 HB3 HIS A 11 -16.088 -0.711 -2.542 1.00 1.31 H new ATOM 0 HD2 HIS A 11 -14.826 2.645 -2.613 1.00 1.41 H new ATOM 0 HE1 HIS A 11 -17.350 2.546 -6.005 1.00 1.64 H new ATOM 0 HE2 HIS A 11 -16.099 4.086 -4.395 1.00 1.54 H new ATOM 171 N ARG A 12 -14.623 -1.497 -0.196 1.00 1.10 N ATOM 172 CA ARG A 12 -14.526 -2.674 0.640 1.00 1.06 C ATOM 173 C ARG A 12 -15.210 -3.857 -0.045 1.00 1.10 C ATOM 174 O ARG A 12 -16.231 -3.688 -0.715 1.00 1.17 O ATOM 175 CB ARG A 12 -15.169 -2.379 1.996 1.00 1.08 C ATOM 176 CG ARG A 12 -16.631 -1.992 1.902 1.00 1.15 C ATOM 177 CD ARG A 12 -17.274 -2.014 3.270 1.00 1.20 C ATOM 178 NE ARG A 12 -18.686 -1.642 3.231 1.00 1.31 N ATOM 179 CZ ARG A 12 -19.400 -1.295 4.303 1.00 1.44 C ATOM 180 NH1 ARG A 12 -18.836 -1.250 5.506 1.00 1.51 N ATOM 181 NH2 ARG A 12 -20.682 -0.987 4.167 1.00 1.56 N ATOM 0 H ARG A 12 -15.309 -0.813 0.122 1.00 1.10 H new ATOM 0 HA ARG A 12 -13.479 -2.934 0.796 1.00 1.06 H new ATOM 0 HB2 ARG A 12 -15.075 -3.259 2.633 1.00 1.08 H new ATOM 0 HB3 ARG A 12 -14.619 -1.573 2.482 1.00 1.08 H new ATOM 0 HG2 ARG A 12 -16.722 -0.997 1.467 1.00 1.15 H new ATOM 0 HG3 ARG A 12 -17.153 -2.680 1.237 1.00 1.15 H new ATOM 0 HD2 ARG A 12 -17.176 -3.012 3.698 1.00 1.20 H new ATOM 0 HD3 ARG A 12 -16.740 -1.331 3.930 1.00 1.20 H new ATOM 0 HE ARG A 12 -19.156 -1.648 2.326 1.00 1.31 H new ATOM 0 HH11 ARG A 12 -17.849 -1.482 5.615 1.00 1.51 H new ATOM 0 HH12 ARG A 12 -19.390 -0.983 6.320 1.00 1.51 H new ATOM 0 HH21 ARG A 12 -21.118 -1.016 3.246 1.00 1.56 H new ATOM 0 HH22 ARG A 12 -21.232 -0.721 4.984 1.00 1.56 H new ATOM 195 N ALA A 13 -14.644 -5.041 0.112 1.00 1.11 N ATOM 196 CA ALA A 13 -15.194 -6.242 -0.499 1.00 1.17 C ATOM 197 C ALA A 13 -15.538 -7.279 0.565 1.00 1.23 C ATOM 198 O ALA A 13 -16.165 -6.950 1.574 1.00 1.93 O ATOM 199 CB ALA A 13 -14.220 -6.806 -1.523 1.00 1.12 C ATOM 0 H ALA A 13 -13.799 -5.198 0.661 1.00 1.11 H new ATOM 0 HA ALA A 13 -16.117 -5.980 -1.017 1.00 1.17 H new ATOM 0 HB1 ALA A 13 -14.644 -7.704 -1.972 1.00 1.12 H new ATOM 0 HB2 ALA A 13 -14.038 -6.063 -2.300 1.00 1.12 H new ATOM 0 HB3 ALA A 13 -13.280 -7.055 -1.032 1.00 1.12 H new ATOM 205 N GLY A 14 -15.124 -8.522 0.349 1.00 1.35 N ATOM 206 CA GLY A 14 -15.415 -9.575 1.300 1.00 1.44 C ATOM 207 C GLY A 14 -14.255 -9.865 2.225 1.00 1.47 C ATOM 208 O GLY A 14 -14.329 -9.603 3.427 1.00 1.64 O ATOM 0 H GLY A 14 -14.592 -8.818 -0.469 1.00 1.35 H new ATOM 0 HA2 GLY A 14 -16.285 -9.293 1.893 1.00 1.44 H new ATOM 0 HA3 GLY A 14 -15.679 -10.484 0.759 1.00 1.44 H new ATOM 212 N LYS A 15 -13.181 -10.407 1.671 1.00 1.47 N ATOM 213 CA LYS A 15 -12.003 -10.738 2.461 1.00 1.64 C ATOM 214 C LYS A 15 -10.958 -9.634 2.379 1.00 1.33 C ATOM 215 O LYS A 15 -10.440 -9.184 3.400 1.00 1.36 O ATOM 216 CB LYS A 15 -11.400 -12.064 1.999 1.00 2.01 C ATOM 217 CG LYS A 15 -11.325 -13.118 3.093 1.00 2.59 C ATOM 218 CD LYS A 15 -10.075 -12.959 3.949 1.00 2.85 C ATOM 219 CE LYS A 15 -10.383 -12.310 5.291 1.00 3.53 C ATOM 220 NZ LYS A 15 -9.178 -12.239 6.160 1.00 4.00 N ATOM 0 H LYS A 15 -13.100 -10.627 0.678 1.00 1.47 H new ATOM 0 HA LYS A 15 -12.318 -10.836 3.500 1.00 1.64 H new ATOM 0 HB2 LYS A 15 -11.993 -12.454 1.172 1.00 2.01 H new ATOM 0 HB3 LYS A 15 -10.397 -11.882 1.614 1.00 2.01 H new ATOM 0 HG2 LYS A 15 -12.210 -13.048 3.726 1.00 2.59 H new ATOM 0 HG3 LYS A 15 -11.333 -14.110 2.642 1.00 2.59 H new ATOM 0 HD2 LYS A 15 -9.622 -13.936 4.114 1.00 2.85 H new ATOM 0 HD3 LYS A 15 -9.343 -12.355 3.413 1.00 2.85 H new ATOM 0 HE2 LYS A 15 -10.773 -11.305 5.128 1.00 3.53 H new ATOM 0 HE3 LYS A 15 -11.164 -12.877 5.798 1.00 3.53 H new ATOM 0 HZ1 LYS A 15 -9.428 -11.791 7.065 1.00 4.00 H new ATOM 0 HZ2 LYS A 15 -8.820 -13.199 6.337 1.00 4.00 H new ATOM 0 HZ3 LYS A 15 -8.442 -11.677 5.687 1.00 4.00 H new ATOM 234 N LYS A 16 -10.649 -9.205 1.164 1.00 1.18 N ATOM 235 CA LYS A 16 -9.665 -8.151 0.957 1.00 0.94 C ATOM 236 C LYS A 16 -10.234 -7.058 0.073 1.00 0.86 C ATOM 237 O LYS A 16 -11.291 -7.225 -0.527 1.00 1.07 O ATOM 238 CB LYS A 16 -8.376 -8.696 0.316 1.00 1.08 C ATOM 239 CG LYS A 16 -8.584 -9.882 -0.616 1.00 1.43 C ATOM 240 CD LYS A 16 -7.483 -9.978 -1.672 1.00 1.71 C ATOM 241 CE LYS A 16 -6.117 -10.318 -1.074 1.00 2.07 C ATOM 242 NZ LYS A 16 -5.169 -10.810 -2.111 1.00 3.06 N ATOM 0 H LYS A 16 -11.065 -9.570 0.307 1.00 1.18 H new ATOM 0 HA LYS A 16 -9.421 -7.743 1.938 1.00 0.94 H new ATOM 0 HB2 LYS A 16 -7.895 -7.892 -0.242 1.00 1.08 H new ATOM 0 HB3 LYS A 16 -7.688 -8.990 1.109 1.00 1.08 H new ATOM 0 HG2 LYS A 16 -8.608 -10.802 -0.032 1.00 1.43 H new ATOM 0 HG3 LYS A 16 -9.552 -9.791 -1.108 1.00 1.43 H new ATOM 0 HD2 LYS A 16 -7.754 -10.739 -2.404 1.00 1.71 H new ATOM 0 HD3 LYS A 16 -7.415 -9.031 -2.207 1.00 1.71 H new ATOM 0 HE2 LYS A 16 -5.701 -9.434 -0.591 1.00 2.07 H new ATOM 0 HE3 LYS A 16 -6.237 -11.077 -0.301 1.00 2.07 H new ATOM 0 HZ1 LYS A 16 -4.213 -10.456 -1.904 1.00 3.06 H new ATOM 0 HZ2 LYS A 16 -5.161 -11.850 -2.109 1.00 3.06 H new ATOM 0 HZ3 LYS A 16 -5.470 -10.468 -3.046 1.00 3.06 H new ATOM 256 N TYR A 17 -9.536 -5.932 0.006 1.00 0.70 N ATOM 257 CA TYR A 17 -9.945 -4.820 -0.844 1.00 0.74 C ATOM 258 C TYR A 17 -9.649 -5.157 -2.297 1.00 0.83 C ATOM 259 O TYR A 17 -9.824 -4.338 -3.195 1.00 0.92 O ATOM 260 CB TYR A 17 -9.203 -3.541 -0.462 1.00 0.70 C ATOM 261 CG TYR A 17 -9.639 -2.934 0.848 1.00 0.66 C ATOM 262 CD1 TYR A 17 -10.660 -1.996 0.903 1.00 0.73 C ATOM 263 CD2 TYR A 17 -9.012 -3.291 2.029 1.00 0.60 C ATOM 264 CE1 TYR A 17 -11.043 -1.430 2.105 1.00 0.74 C ATOM 265 CE2 TYR A 17 -9.387 -2.739 3.234 1.00 0.61 C ATOM 266 CZ TYR A 17 -10.405 -1.805 3.268 1.00 0.69 C ATOM 267 OH TYR A 17 -10.780 -1.242 4.467 1.00 0.73 O ATOM 0 H TYR A 17 -8.679 -5.764 0.533 1.00 0.70 H new ATOM 0 HA TYR A 17 -11.014 -4.657 -0.708 1.00 0.74 H new ATOM 0 HB2 TYR A 17 -8.136 -3.756 -0.411 1.00 0.70 H new ATOM 0 HB3 TYR A 17 -9.342 -2.805 -1.254 1.00 0.70 H new ATOM 0 HD1 TYR A 17 -11.163 -1.704 -0.007 1.00 0.73 H new ATOM 0 HD2 TYR A 17 -8.213 -4.017 2.005 1.00 0.60 H new ATOM 0 HE1 TYR A 17 -11.837 -0.699 2.133 1.00 0.74 H new ATOM 0 HE2 TYR A 17 -8.889 -3.034 4.146 1.00 0.61 H new ATOM 0 HH TYR A 17 -11.324 -0.444 4.298 1.00 0.73 H new ATOM 277 N GLY A 18 -9.163 -6.370 -2.517 1.00 0.83 N ATOM 278 CA GLY A 18 -8.862 -6.804 -3.854 1.00 0.95 C ATOM 279 C GLY A 18 -7.385 -6.856 -4.124 1.00 0.92 C ATOM 280 O GLY A 18 -6.967 -7.198 -5.226 1.00 1.03 O ATOM 0 H GLY A 18 -8.974 -7.058 -1.788 1.00 0.83 H new ATOM 0 HA2 GLY A 18 -9.293 -7.792 -4.017 1.00 0.95 H new ATOM 0 HA3 GLY A 18 -9.335 -6.128 -4.567 1.00 0.95 H new ATOM 284 N PHE A 19 -6.577 -6.502 -3.136 1.00 0.79 N ATOM 285 CA PHE A 19 -5.142 -6.537 -3.332 1.00 0.79 C ATOM 286 C PHE A 19 -4.385 -7.082 -2.139 1.00 0.72 C ATOM 287 O PHE A 19 -4.915 -7.258 -1.028 1.00 0.65 O ATOM 288 CB PHE A 19 -4.587 -5.160 -3.718 1.00 0.80 C ATOM 289 CG PHE A 19 -4.497 -4.150 -2.599 1.00 0.71 C ATOM 290 CD1 PHE A 19 -5.593 -3.383 -2.236 1.00 0.70 C ATOM 291 CD2 PHE A 19 -3.297 -3.950 -1.932 1.00 0.67 C ATOM 292 CE1 PHE A 19 -5.492 -2.438 -1.228 1.00 0.64 C ATOM 293 CE2 PHE A 19 -3.192 -3.014 -0.923 1.00 0.59 C ATOM 294 CZ PHE A 19 -4.290 -2.255 -0.571 1.00 0.58 C ATOM 0 H PHE A 19 -6.883 -6.195 -2.213 1.00 0.79 H new ATOM 0 HA PHE A 19 -4.983 -7.229 -4.159 1.00 0.79 H new ATOM 0 HB2 PHE A 19 -3.591 -5.296 -4.140 1.00 0.80 H new ATOM 0 HB3 PHE A 19 -5.214 -4.745 -4.507 1.00 0.80 H new ATOM 0 HD1 PHE A 19 -6.536 -3.524 -2.744 1.00 0.70 H new ATOM 0 HD2 PHE A 19 -2.432 -4.536 -2.206 1.00 0.67 H new ATOM 0 HE1 PHE A 19 -6.352 -1.845 -0.956 1.00 0.64 H new ATOM 0 HE2 PHE A 19 -2.252 -2.876 -0.410 1.00 0.59 H new ATOM 0 HZ PHE A 19 -4.210 -1.520 0.216 1.00 0.58 H new ATOM 304 N THR A 20 -3.129 -7.345 -2.416 1.00 0.76 N ATOM 305 CA THR A 20 -2.190 -7.866 -1.441 1.00 0.74 C ATOM 306 C THR A 20 -1.133 -6.823 -1.138 1.00 0.71 C ATOM 307 O THR A 20 -0.431 -6.363 -2.038 1.00 0.80 O ATOM 308 CB THR A 20 -1.492 -9.138 -1.962 1.00 0.87 C ATOM 309 OG1 THR A 20 -2.452 -10.191 -2.129 1.00 0.92 O ATOM 310 CG2 THR A 20 -0.373 -9.599 -1.021 1.00 0.89 C ATOM 0 H THR A 20 -2.721 -7.202 -3.340 1.00 0.76 H new ATOM 0 HA THR A 20 -2.750 -8.113 -0.539 1.00 0.74 H new ATOM 0 HB THR A 20 -1.040 -8.897 -2.924 1.00 0.87 H new ATOM 0 HG1 THR A 20 -2.001 -10.995 -2.462 1.00 0.92 H new ATOM 0 HG21 THR A 20 0.094 -10.498 -1.424 1.00 0.89 H new ATOM 0 HG22 THR A 20 0.375 -8.811 -0.931 1.00 0.89 H new ATOM 0 HG23 THR A 20 -0.791 -9.816 -0.038 1.00 0.89 H new ATOM 318 N LEU A 21 -1.031 -6.441 0.115 1.00 0.61 N ATOM 319 CA LEU A 21 -0.043 -5.469 0.521 1.00 0.60 C ATOM 320 C LEU A 21 1.196 -6.204 0.999 1.00 0.67 C ATOM 321 O LEU A 21 1.099 -7.189 1.731 1.00 0.65 O ATOM 322 CB LEU A 21 -0.598 -4.561 1.620 1.00 0.47 C ATOM 323 CG LEU A 21 0.348 -3.458 2.094 1.00 0.47 C ATOM 324 CD1 LEU A 21 0.657 -2.489 0.966 1.00 0.52 C ATOM 325 CD2 LEU A 21 -0.253 -2.728 3.277 1.00 0.39 C ATOM 0 H LEU A 21 -1.621 -6.789 0.871 1.00 0.61 H new ATOM 0 HA LEU A 21 0.217 -4.834 -0.326 1.00 0.60 H new ATOM 0 HB2 LEU A 21 -1.516 -4.099 1.258 1.00 0.47 H new ATOM 0 HB3 LEU A 21 -0.868 -5.178 2.477 1.00 0.47 H new ATOM 0 HG LEU A 21 1.285 -3.918 2.407 1.00 0.47 H new ATOM 0 HD11 LEU A 21 1.332 -1.713 1.327 1.00 0.52 H new ATOM 0 HD12 LEU A 21 1.129 -3.027 0.144 1.00 0.52 H new ATOM 0 HD13 LEU A 21 -0.268 -2.031 0.616 1.00 0.52 H new ATOM 0 HD21 LEU A 21 0.430 -1.945 3.606 1.00 0.39 H new ATOM 0 HD22 LEU A 21 -1.204 -2.282 2.985 1.00 0.39 H new ATOM 0 HD23 LEU A 21 -0.418 -3.432 4.093 1.00 0.39 H new ATOM 337 N ARG A 22 2.354 -5.760 0.560 1.00 0.79 N ATOM 338 CA ARG A 22 3.590 -6.402 0.950 1.00 0.89 C ATOM 339 C ARG A 22 4.618 -5.369 1.366 1.00 0.90 C ATOM 340 O ARG A 22 4.740 -4.312 0.746 1.00 0.94 O ATOM 341 CB ARG A 22 4.133 -7.253 -0.195 1.00 1.03 C ATOM 342 CG ARG A 22 3.361 -8.536 -0.433 1.00 1.03 C ATOM 343 CD ARG A 22 4.304 -9.653 -0.837 1.00 1.21 C ATOM 344 NE ARG A 22 5.509 -9.683 -0.005 1.00 1.31 N ATOM 345 CZ ARG A 22 6.755 -9.644 -0.482 1.00 1.47 C ATOM 346 NH1 ARG A 22 6.970 -9.613 -1.794 1.00 1.60 N ATOM 347 NH2 ARG A 22 7.782 -9.650 0.356 1.00 1.66 N ATOM 0 H ARG A 22 2.465 -4.961 -0.064 1.00 0.79 H new ATOM 0 HA ARG A 22 3.385 -7.051 1.801 1.00 0.89 H new ATOM 0 HB2 ARG A 22 4.123 -6.661 -1.110 1.00 1.03 H new ATOM 0 HB3 ARG A 22 5.174 -7.501 0.013 1.00 1.03 H new ATOM 0 HG2 ARG A 22 2.821 -8.816 0.472 1.00 1.03 H new ATOM 0 HG3 ARG A 22 2.616 -8.380 -1.213 1.00 1.03 H new ATOM 0 HD2 ARG A 22 3.787 -10.609 -0.760 1.00 1.21 H new ATOM 0 HD3 ARG A 22 4.588 -9.527 -1.882 1.00 1.21 H new ATOM 0 HE ARG A 22 5.388 -9.737 1.006 1.00 1.31 H new ATOM 0 HH11 ARG A 22 6.181 -9.619 -2.440 1.00 1.60 H new ATOM 0 HH12 ARG A 22 7.924 -9.583 -2.154 1.00 1.60 H new ATOM 0 HH21 ARG A 22 7.619 -9.684 1.362 1.00 1.66 H new ATOM 0 HH22 ARG A 22 8.735 -9.620 -0.005 1.00 1.66 H new ATOM 361 N ALA A 23 5.342 -5.673 2.425 1.00 0.90 N ATOM 362 CA ALA A 23 6.366 -4.781 2.924 1.00 0.92 C ATOM 363 C ALA A 23 7.729 -5.259 2.451 1.00 1.06 C ATOM 364 O ALA A 23 8.142 -6.383 2.756 1.00 1.07 O ATOM 365 CB ALA A 23 6.312 -4.699 4.444 1.00 0.90 C ATOM 0 H ALA A 23 5.238 -6.536 2.958 1.00 0.90 H new ATOM 0 HA ALA A 23 6.191 -3.779 2.533 1.00 0.92 H new ATOM 0 HB1 ALA A 23 7.090 -4.023 4.800 1.00 0.90 H new ATOM 0 HB2 ALA A 23 5.336 -4.324 4.754 1.00 0.90 H new ATOM 0 HB3 ALA A 23 6.471 -5.691 4.868 1.00 0.90 H new ATOM 371 N ILE A 24 8.404 -4.422 1.678 1.00 1.19 N ATOM 372 CA ILE A 24 9.719 -4.760 1.159 1.00 1.33 C ATOM 373 C ILE A 24 10.808 -4.106 2.001 1.00 1.38 C ATOM 374 O ILE A 24 10.645 -2.988 2.496 1.00 1.29 O ATOM 375 CB ILE A 24 9.882 -4.364 -0.328 1.00 1.38 C ATOM 376 CG1 ILE A 24 9.331 -2.962 -0.590 1.00 1.29 C ATOM 377 CG2 ILE A 24 9.188 -5.381 -1.225 1.00 1.42 C ATOM 378 CD1 ILE A 24 9.761 -2.379 -1.920 1.00 1.35 C ATOM 0 H ILE A 24 8.062 -3.503 1.396 1.00 1.19 H new ATOM 0 HA ILE A 24 9.819 -5.844 1.220 1.00 1.33 H new ATOM 0 HB ILE A 24 10.947 -4.356 -0.560 1.00 1.38 H new ATOM 0 HG12 ILE A 24 8.242 -2.996 -0.553 1.00 1.29 H new ATOM 0 HG13 ILE A 24 9.656 -2.298 0.210 1.00 1.29 H new ATOM 0 HG21 ILE A 24 9.311 -5.090 -2.268 1.00 1.42 H new ATOM 0 HG22 ILE A 24 9.630 -6.365 -1.069 1.00 1.42 H new ATOM 0 HG23 ILE A 24 8.126 -5.417 -0.981 1.00 1.42 H new ATOM 0 HD11 ILE A 24 9.332 -1.384 -2.037 1.00 1.35 H new ATOM 0 HD12 ILE A 24 10.848 -2.312 -1.953 1.00 1.35 H new ATOM 0 HD13 ILE A 24 9.412 -3.021 -2.729 1.00 1.35 H new ATOM 390 N ARG A 25 11.910 -4.817 2.163 1.00 1.56 N ATOM 391 CA ARG A 25 13.030 -4.347 2.959 1.00 1.65 C ATOM 392 C ARG A 25 14.190 -3.940 2.060 1.00 1.72 C ATOM 393 O ARG A 25 15.024 -4.764 1.687 1.00 1.95 O ATOM 394 CB ARG A 25 13.452 -5.454 3.925 1.00 1.73 C ATOM 395 CG ARG A 25 14.448 -5.028 4.990 1.00 1.63 C ATOM 396 CD ARG A 25 14.431 -5.999 6.161 1.00 2.12 C ATOM 397 NE ARG A 25 15.653 -5.933 6.961 1.00 2.58 N ATOM 398 CZ ARG A 25 15.678 -5.756 8.279 1.00 3.34 C ATOM 399 NH1 ARG A 25 14.551 -5.563 8.955 1.00 3.82 N ATOM 400 NH2 ARG A 25 16.840 -5.769 8.918 1.00 4.04 N ATOM 0 H ARG A 25 12.054 -5.737 1.746 1.00 1.56 H new ATOM 0 HA ARG A 25 12.730 -3.468 3.529 1.00 1.65 H new ATOM 0 HB2 ARG A 25 12.562 -5.846 4.417 1.00 1.73 H new ATOM 0 HB3 ARG A 25 13.885 -6.273 3.350 1.00 1.73 H new ATOM 0 HG2 ARG A 25 15.449 -4.984 4.562 1.00 1.63 H new ATOM 0 HG3 ARG A 25 14.207 -4.024 5.340 1.00 1.63 H new ATOM 0 HD2 ARG A 25 13.572 -5.782 6.796 1.00 2.12 H new ATOM 0 HD3 ARG A 25 14.301 -7.014 5.785 1.00 2.12 H new ATOM 0 HE ARG A 25 16.545 -6.029 6.476 1.00 2.58 H new ATOM 0 HH11 ARG A 25 13.657 -5.550 8.463 1.00 3.82 H new ATOM 0 HH12 ARG A 25 14.579 -5.428 9.966 1.00 3.82 H new ATOM 0 HH21 ARG A 25 17.706 -5.914 8.399 1.00 4.04 H new ATOM 0 HH22 ARG A 25 16.868 -5.634 9.929 1.00 4.04 H new ATOM 414 N VAL A 26 14.232 -2.662 1.721 1.00 1.56 N ATOM 415 CA VAL A 26 15.274 -2.136 0.851 1.00 1.61 C ATOM 416 C VAL A 26 16.292 -1.386 1.682 1.00 1.61 C ATOM 417 O VAL A 26 15.969 -0.382 2.308 1.00 1.63 O ATOM 418 CB VAL A 26 14.698 -1.195 -0.230 1.00 1.61 C ATOM 419 CG1 VAL A 26 15.811 -0.601 -1.084 1.00 1.72 C ATOM 420 CG2 VAL A 26 13.701 -1.941 -1.096 1.00 1.63 C ATOM 0 H VAL A 26 13.555 -1.967 2.035 1.00 1.56 H new ATOM 0 HA VAL A 26 15.745 -2.978 0.345 1.00 1.61 H new ATOM 0 HB VAL A 26 14.183 -0.374 0.268 1.00 1.61 H new ATOM 0 HG11 VAL A 26 15.379 0.058 -1.838 1.00 1.72 H new ATOM 0 HG12 VAL A 26 16.491 -0.031 -0.451 1.00 1.72 H new ATOM 0 HG13 VAL A 26 16.360 -1.404 -1.576 1.00 1.72 H new ATOM 0 HG21 VAL A 26 13.302 -1.267 -1.854 1.00 1.63 H new ATOM 0 HG22 VAL A 26 14.198 -2.781 -1.582 1.00 1.63 H new ATOM 0 HG23 VAL A 26 12.886 -2.312 -0.475 1.00 1.63 H new ATOM 430 N TYR A 27 17.512 -1.873 1.702 1.00 1.71 N ATOM 431 CA TYR A 27 18.547 -1.239 2.488 1.00 1.72 C ATOM 432 C TYR A 27 19.078 0.007 1.806 1.00 1.67 C ATOM 433 O TYR A 27 19.231 0.053 0.583 1.00 1.72 O ATOM 434 CB TYR A 27 19.689 -2.204 2.756 1.00 1.86 C ATOM 435 CG TYR A 27 19.361 -3.265 3.780 1.00 1.85 C ATOM 436 CD1 TYR A 27 18.539 -4.336 3.459 1.00 1.89 C ATOM 437 CD2 TYR A 27 19.873 -3.193 5.069 1.00 1.92 C ATOM 438 CE1 TYR A 27 18.235 -5.306 4.392 1.00 1.97 C ATOM 439 CE2 TYR A 27 19.574 -4.161 6.007 1.00 1.97 C ATOM 440 CZ TYR A 27 18.755 -5.214 5.664 1.00 1.98 C ATOM 441 OH TYR A 27 18.456 -6.182 6.594 1.00 2.10 O ATOM 0 H TYR A 27 17.811 -2.701 1.187 1.00 1.71 H new ATOM 0 HA TYR A 27 18.098 -0.946 3.437 1.00 1.72 H new ATOM 0 HB2 TYR A 27 19.970 -2.689 1.821 1.00 1.86 H new ATOM 0 HB3 TYR A 27 20.557 -1.640 3.096 1.00 1.86 H new ATOM 0 HD1 TYR A 27 18.130 -4.412 2.462 1.00 1.89 H new ATOM 0 HD2 TYR A 27 20.514 -2.368 5.342 1.00 1.92 H new ATOM 0 HE1 TYR A 27 17.593 -6.133 4.126 1.00 1.97 H new ATOM 0 HE2 TYR A 27 19.980 -4.093 7.005 1.00 1.97 H new ATOM 0 HH TYR A 27 19.202 -6.273 7.223 1.00 2.10 H new ATOM 451 N MET A 28 19.335 1.014 2.616 1.00 1.61 N ATOM 452 CA MET A 28 19.870 2.273 2.149 1.00 1.59 C ATOM 453 C MET A 28 21.342 2.103 1.806 1.00 1.78 C ATOM 454 O MET A 28 22.132 1.673 2.652 1.00 2.05 O ATOM 455 CB MET A 28 19.706 3.332 3.237 1.00 1.51 C ATOM 456 CG MET A 28 18.292 3.862 3.384 1.00 1.36 C ATOM 457 SD MET A 28 17.731 4.768 1.929 1.00 1.30 S ATOM 458 CE MET A 28 16.270 5.570 2.585 1.00 1.81 C ATOM 0 H MET A 28 19.177 0.980 3.623 1.00 1.61 H new ATOM 0 HA MET A 28 19.330 2.592 1.257 1.00 1.59 H new ATOM 0 HB2 MET A 28 20.024 2.909 4.190 1.00 1.51 H new ATOM 0 HB3 MET A 28 20.373 4.166 3.020 1.00 1.51 H new ATOM 0 HG2 MET A 28 17.614 3.029 3.572 1.00 1.36 H new ATOM 0 HG3 MET A 28 18.242 4.516 4.255 1.00 1.36 H new ATOM 0 HE1 MET A 28 15.535 5.694 1.790 1.00 1.81 H new ATOM 0 HE2 MET A 28 15.845 4.958 3.380 1.00 1.81 H new ATOM 0 HE3 MET A 28 16.540 6.547 2.985 1.00 1.81 H new ATOM 468 N GLY A 29 21.705 2.432 0.571 1.00 2.07 N ATOM 469 CA GLY A 29 23.083 2.299 0.133 1.00 2.24 C ATOM 470 C GLY A 29 24.006 3.319 0.769 1.00 2.33 C ATOM 471 O GLY A 29 24.440 4.269 0.116 1.00 2.77 O ATOM 0 H GLY A 29 21.066 2.790 -0.138 1.00 2.07 H new ATOM 0 HA2 GLY A 29 23.439 1.297 0.371 1.00 2.24 H new ATOM 0 HA3 GLY A 29 23.126 2.404 -0.951 1.00 2.24 H new ATOM 475 N ASP A 30 24.302 3.116 2.043 1.00 2.11 N ATOM 476 CA ASP A 30 25.176 4.010 2.788 1.00 2.18 C ATOM 477 C ASP A 30 25.535 3.397 4.130 1.00 2.10 C ATOM 478 O ASP A 30 26.707 3.280 4.486 1.00 2.12 O ATOM 479 CB ASP A 30 24.496 5.361 3.021 1.00 2.25 C ATOM 480 CG ASP A 30 25.368 6.321 3.808 1.00 2.35 C ATOM 481 OD1 ASP A 30 25.328 6.288 5.055 1.00 2.62 O ATOM 482 OD2 ASP A 30 26.093 7.120 3.178 1.00 2.52 O ATOM 0 H ASP A 30 23.945 2.331 2.588 1.00 2.11 H new ATOM 0 HA ASP A 30 26.082 4.161 2.201 1.00 2.18 H new ATOM 0 HB2 ASP A 30 24.245 5.808 2.059 1.00 2.25 H new ATOM 0 HB3 ASP A 30 23.559 5.205 3.555 1.00 2.25 H new ATOM 487 N SER A 31 24.517 2.997 4.870 1.00 2.12 N ATOM 488 CA SER A 31 24.721 2.406 6.179 1.00 2.11 C ATOM 489 C SER A 31 24.090 1.012 6.257 1.00 2.07 C ATOM 490 O SER A 31 23.979 0.314 5.248 1.00 2.11 O ATOM 491 CB SER A 31 24.137 3.323 7.252 1.00 2.11 C ATOM 492 OG SER A 31 24.589 4.660 7.092 1.00 2.61 O ATOM 0 H SER A 31 23.540 3.071 4.586 1.00 2.12 H new ATOM 0 HA SER A 31 25.792 2.294 6.350 1.00 2.11 H new ATOM 0 HB2 SER A 31 23.048 3.297 7.202 1.00 2.11 H new ATOM 0 HB3 SER A 31 24.420 2.957 8.239 1.00 2.11 H new ATOM 0 HG SER A 31 24.793 4.826 6.148 1.00 2.61 H new ATOM 498 N ASP A 32 23.669 0.621 7.453 1.00 2.01 N ATOM 499 CA ASP A 32 23.063 -0.687 7.673 1.00 2.00 C ATOM 500 C ASP A 32 21.549 -0.562 7.708 1.00 1.83 C ATOM 501 O ASP A 32 20.815 -1.540 7.575 1.00 1.80 O ATOM 502 CB ASP A 32 23.573 -1.258 8.992 1.00 2.09 C ATOM 503 CG ASP A 32 23.022 -2.632 9.297 1.00 2.37 C ATOM 504 OD1 ASP A 32 23.486 -3.609 8.675 1.00 2.90 O ATOM 505 OD2 ASP A 32 22.120 -2.748 10.151 1.00 2.49 O ATOM 0 H ASP A 32 23.737 1.196 8.293 1.00 2.01 H new ATOM 0 HA ASP A 32 23.336 -1.356 6.857 1.00 2.00 H new ATOM 0 HB2 ASP A 32 24.661 -1.308 8.962 1.00 2.09 H new ATOM 0 HB3 ASP A 32 23.307 -0.579 9.802 1.00 2.09 H new ATOM 510 N VAL A 33 21.105 0.665 7.894 1.00 1.75 N ATOM 511 CA VAL A 33 19.688 0.989 7.961 1.00 1.62 C ATOM 512 C VAL A 33 18.924 0.489 6.735 1.00 1.57 C ATOM 513 O VAL A 33 19.446 0.439 5.616 1.00 1.61 O ATOM 514 CB VAL A 33 19.480 2.510 8.119 1.00 1.54 C ATOM 515 CG1 VAL A 33 20.102 3.262 6.959 1.00 1.56 C ATOM 516 CG2 VAL A 33 18.008 2.859 8.251 1.00 1.44 C ATOM 0 H VAL A 33 21.718 1.473 8.004 1.00 1.75 H new ATOM 0 HA VAL A 33 19.290 0.477 8.837 1.00 1.62 H new ATOM 0 HB VAL A 33 19.980 2.816 9.038 1.00 1.54 H new ATOM 0 HG11 VAL A 33 19.943 4.332 7.092 1.00 1.56 H new ATOM 0 HG12 VAL A 33 21.172 3.056 6.923 1.00 1.56 H new ATOM 0 HG13 VAL A 33 19.639 2.940 6.026 1.00 1.56 H new ATOM 0 HG21 VAL A 33 17.898 3.938 8.361 1.00 1.44 H new ATOM 0 HG22 VAL A 33 17.474 2.529 7.360 1.00 1.44 H new ATOM 0 HG23 VAL A 33 17.593 2.361 9.128 1.00 1.44 H new ATOM 526 N TYR A 34 17.682 0.126 6.971 1.00 1.52 N ATOM 527 CA TYR A 34 16.811 -0.375 5.926 1.00 1.49 C ATOM 528 C TYR A 34 15.637 0.552 5.736 1.00 1.43 C ATOM 529 O TYR A 34 15.337 1.394 6.581 1.00 1.43 O ATOM 530 CB TYR A 34 16.305 -1.783 6.247 1.00 1.49 C ATOM 531 CG TYR A 34 15.554 -1.880 7.557 1.00 1.45 C ATOM 532 CD1 TYR A 34 16.225 -2.063 8.760 1.00 1.52 C ATOM 533 CD2 TYR A 34 14.168 -1.779 7.588 1.00 1.37 C ATOM 534 CE1 TYR A 34 15.536 -2.142 9.955 1.00 1.53 C ATOM 535 CE2 TYR A 34 13.474 -1.858 8.778 1.00 1.37 C ATOM 536 CZ TYR A 34 14.162 -2.039 9.957 1.00 1.45 C ATOM 537 OH TYR A 34 13.469 -2.114 11.143 1.00 1.50 O ATOM 0 H TYR A 34 17.246 0.169 7.892 1.00 1.52 H new ATOM 0 HA TYR A 34 17.393 -0.421 5.005 1.00 1.49 H new ATOM 0 HB2 TYR A 34 15.653 -2.117 5.440 1.00 1.49 H new ATOM 0 HB3 TYR A 34 17.154 -2.466 6.274 1.00 1.49 H new ATOM 0 HD1 TYR A 34 17.302 -2.145 8.761 1.00 1.52 H new ATOM 0 HD2 TYR A 34 13.625 -1.636 6.665 1.00 1.37 H new ATOM 0 HE1 TYR A 34 16.071 -2.284 10.882 1.00 1.53 H new ATOM 0 HE2 TYR A 34 12.397 -1.778 8.785 1.00 1.37 H new ATOM 0 HH TYR A 34 12.509 -2.022 10.967 1.00 1.50 H new ATOM 547 N THR A 35 14.980 0.375 4.623 1.00 1.42 N ATOM 548 CA THR A 35 13.832 1.172 4.275 1.00 1.38 C ATOM 549 C THR A 35 12.654 0.264 3.973 1.00 1.30 C ATOM 550 O THR A 35 12.606 -0.382 2.926 1.00 1.33 O ATOM 551 CB THR A 35 14.135 2.061 3.058 1.00 1.47 C ATOM 552 OG1 THR A 35 15.549 2.267 2.952 1.00 1.65 O ATOM 553 CG2 THR A 35 13.433 3.405 3.182 1.00 1.43 C ATOM 0 H THR A 35 15.226 -0.329 3.927 1.00 1.42 H new ATOM 0 HA THR A 35 13.587 1.818 5.118 1.00 1.38 H new ATOM 0 HB THR A 35 13.767 1.558 2.163 1.00 1.47 H new ATOM 0 HG1 THR A 35 15.973 1.453 2.608 1.00 1.65 H new ATOM 0 HG21 THR A 35 13.662 4.017 2.310 1.00 1.43 H new ATOM 0 HG22 THR A 35 12.356 3.249 3.243 1.00 1.43 H new ATOM 0 HG23 THR A 35 13.777 3.914 4.082 1.00 1.43 H new ATOM 561 N VAL A 36 11.737 0.176 4.919 1.00 1.22 N ATOM 562 CA VAL A 36 10.561 -0.655 4.754 1.00 1.15 C ATOM 563 C VAL A 36 9.499 0.097 3.961 1.00 1.08 C ATOM 564 O VAL A 36 8.877 1.039 4.454 1.00 1.07 O ATOM 565 CB VAL A 36 9.998 -1.134 6.118 1.00 1.11 C ATOM 566 CG1 VAL A 36 9.883 0.018 7.107 1.00 1.09 C ATOM 567 CG2 VAL A 36 8.652 -1.821 5.938 1.00 1.04 C ATOM 0 H VAL A 36 11.785 0.671 5.810 1.00 1.22 H new ATOM 0 HA VAL A 36 10.853 -1.546 4.198 1.00 1.15 H new ATOM 0 HB VAL A 36 10.702 -1.858 6.528 1.00 1.11 H new ATOM 0 HG11 VAL A 36 9.485 -0.352 8.052 1.00 1.09 H new ATOM 0 HG12 VAL A 36 10.868 0.454 7.274 1.00 1.09 H new ATOM 0 HG13 VAL A 36 9.213 0.778 6.704 1.00 1.09 H new ATOM 0 HG21 VAL A 36 8.278 -2.148 6.908 1.00 1.04 H new ATOM 0 HG22 VAL A 36 7.944 -1.123 5.492 1.00 1.04 H new ATOM 0 HG23 VAL A 36 8.769 -2.685 5.284 1.00 1.04 H new ATOM 577 N HIS A 37 9.322 -0.300 2.714 1.00 1.06 N ATOM 578 CA HIS A 37 8.343 0.340 1.857 1.00 1.01 C ATOM 579 C HIS A 37 7.072 -0.484 1.795 1.00 0.93 C ATOM 580 O HIS A 37 7.109 -1.718 1.840 1.00 0.97 O ATOM 581 CB HIS A 37 8.887 0.538 0.442 1.00 1.10 C ATOM 582 CG HIS A 37 10.003 1.533 0.343 1.00 1.18 C ATOM 583 ND1 HIS A 37 9.760 2.885 0.364 1.00 1.25 N ATOM 584 CD2 HIS A 37 11.335 1.325 0.205 1.00 1.26 C ATOM 585 CE1 HIS A 37 10.939 3.466 0.237 1.00 1.33 C ATOM 586 NE2 HIS A 37 11.923 2.560 0.137 1.00 1.34 N ATOM 0 H HIS A 37 9.842 -1.060 2.274 1.00 1.06 H new ATOM 0 HA HIS A 37 8.123 1.318 2.286 1.00 1.01 H new ATOM 0 HB2 HIS A 37 9.237 -0.422 0.063 1.00 1.10 H new ATOM 0 HB3 HIS A 37 8.072 0.859 -0.206 1.00 1.10 H new ATOM 0 HD2 HIS A 37 11.836 0.370 0.158 1.00 1.26 H new ATOM 0 HE1 HIS A 37 11.092 4.535 0.216 1.00 1.33 H new ATOM 0 HE2 HIS A 37 12.919 2.754 0.031 1.00 1.34 H new ATOM 594 N HIS A 38 5.957 0.206 1.678 1.00 0.82 N ATOM 595 CA HIS A 38 4.657 -0.434 1.606 1.00 0.74 C ATOM 596 C HIS A 38 4.189 -0.437 0.165 1.00 0.78 C ATOM 597 O HIS A 38 3.699 0.571 -0.352 1.00 0.77 O ATOM 598 CB HIS A 38 3.657 0.287 2.512 1.00 0.62 C ATOM 599 CG HIS A 38 4.095 0.330 3.948 1.00 0.59 C ATOM 600 ND1 HIS A 38 4.020 -0.781 4.753 1.00 0.60 N ATOM 601 CD2 HIS A 38 4.641 1.350 4.656 1.00 0.59 C ATOM 602 CE1 HIS A 38 4.520 -0.417 5.920 1.00 0.61 C ATOM 603 NE2 HIS A 38 4.911 0.865 5.912 1.00 0.60 N ATOM 0 H HIS A 38 5.924 1.224 1.630 1.00 0.82 H new ATOM 0 HA HIS A 38 4.732 -1.464 1.956 1.00 0.74 H new ATOM 0 HB2 HIS A 38 3.515 1.305 2.150 1.00 0.62 H new ATOM 0 HB3 HIS A 38 2.690 -0.212 2.447 1.00 0.62 H new ATOM 0 HD2 HIS A 38 4.828 2.352 4.300 1.00 0.59 H new ATOM 0 HE1 HIS A 38 4.603 -1.071 6.775 1.00 0.61 H new ATOM 0 HE2 HIS A 38 5.328 1.380 6.688 1.00 0.60 H new ATOM 611 N MET A 39 4.358 -1.567 -0.489 1.00 0.84 N ATOM 612 CA MET A 39 3.990 -1.688 -1.884 1.00 0.91 C ATOM 613 C MET A 39 2.937 -2.761 -2.102 1.00 0.88 C ATOM 614 O MET A 39 2.986 -3.838 -1.506 1.00 0.87 O ATOM 615 CB MET A 39 5.234 -2.009 -2.723 1.00 1.05 C ATOM 616 CG MET A 39 4.918 -2.447 -4.148 1.00 1.11 C ATOM 617 SD MET A 39 5.256 -4.195 -4.438 1.00 1.16 S ATOM 618 CE MET A 39 6.992 -4.130 -4.867 1.00 1.33 C ATOM 0 H MET A 39 4.748 -2.415 -0.077 1.00 0.84 H new ATOM 0 HA MET A 39 3.564 -0.735 -2.197 1.00 0.91 H new ATOM 0 HB2 MET A 39 5.875 -1.128 -2.757 1.00 1.05 H new ATOM 0 HB3 MET A 39 5.801 -2.797 -2.228 1.00 1.05 H new ATOM 0 HG2 MET A 39 3.868 -2.245 -4.360 1.00 1.11 H new ATOM 0 HG3 MET A 39 5.505 -1.848 -4.845 1.00 1.11 H new ATOM 0 HE1 MET A 39 7.344 -5.132 -5.110 1.00 1.33 H new ATOM 0 HE2 MET A 39 7.130 -3.478 -5.729 1.00 1.33 H new ATOM 0 HE3 MET A 39 7.561 -3.740 -4.023 1.00 1.33 H new ATOM 628 N VAL A 40 1.958 -2.441 -2.932 1.00 0.87 N ATOM 629 CA VAL A 40 0.932 -3.395 -3.288 1.00 0.87 C ATOM 630 C VAL A 40 1.588 -4.439 -4.186 1.00 1.00 C ATOM 631 O VAL A 40 2.118 -4.111 -5.247 1.00 1.10 O ATOM 632 CB VAL A 40 -0.265 -2.713 -3.993 1.00 0.87 C ATOM 633 CG1 VAL A 40 0.203 -1.529 -4.819 1.00 0.94 C ATOM 634 CG2 VAL A 40 -1.036 -3.699 -4.857 1.00 0.93 C ATOM 0 H VAL A 40 1.856 -1.526 -3.370 1.00 0.87 H new ATOM 0 HA VAL A 40 0.521 -3.862 -2.393 1.00 0.87 H new ATOM 0 HB VAL A 40 -0.942 -2.349 -3.220 1.00 0.87 H new ATOM 0 HG11 VAL A 40 -0.654 -1.064 -5.306 1.00 0.94 H new ATOM 0 HG12 VAL A 40 0.690 -0.802 -4.169 1.00 0.94 H new ATOM 0 HG13 VAL A 40 0.910 -1.870 -5.576 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -1.870 -3.187 -5.337 1.00 0.93 H new ATOM 0 HG22 VAL A 40 -0.374 -4.110 -5.620 1.00 0.93 H new ATOM 0 HG23 VAL A 40 -1.417 -4.508 -4.234 1.00 0.93 H new ATOM 644 N TRP A 41 1.569 -5.680 -3.754 1.00 1.00 N ATOM 645 CA TRP A 41 2.231 -6.747 -4.485 1.00 1.13 C ATOM 646 C TRP A 41 1.391 -7.302 -5.621 1.00 1.19 C ATOM 647 O TRP A 41 1.920 -7.607 -6.689 1.00 1.30 O ATOM 648 CB TRP A 41 2.608 -7.869 -3.526 1.00 1.14 C ATOM 649 CG TRP A 41 3.368 -8.977 -4.185 1.00 1.32 C ATOM 650 CD1 TRP A 41 2.926 -10.244 -4.444 1.00 1.39 C ATOM 651 CD2 TRP A 41 4.708 -8.908 -4.677 1.00 1.46 C ATOM 652 NE1 TRP A 41 3.911 -10.962 -5.076 1.00 1.56 N ATOM 653 CE2 TRP A 41 5.016 -10.163 -5.230 1.00 1.61 C ATOM 654 CE3 TRP A 41 5.675 -7.901 -4.706 1.00 1.50 C ATOM 655 CZ2 TRP A 41 6.253 -10.439 -5.805 1.00 1.78 C ATOM 656 CZ3 TRP A 41 6.902 -8.174 -5.276 1.00 1.69 C ATOM 657 CH2 TRP A 41 7.180 -9.433 -5.823 1.00 1.82 C ATOM 0 H TRP A 41 1.102 -5.980 -2.898 1.00 1.00 H new ATOM 0 HA TRP A 41 3.125 -6.315 -4.936 1.00 1.13 H new ATOM 0 HB2 TRP A 41 3.208 -7.458 -2.714 1.00 1.14 H new ATOM 0 HB3 TRP A 41 1.701 -8.275 -3.078 1.00 1.14 H new ATOM 0 HD1 TRP A 41 1.948 -10.624 -4.189 1.00 1.39 H new ATOM 0 HE1 TRP A 41 3.834 -11.932 -5.382 1.00 1.56 H new ATOM 0 HE3 TRP A 41 5.467 -6.926 -4.290 1.00 1.50 H new ATOM 0 HZ2 TRP A 41 6.473 -11.411 -6.221 1.00 1.78 H new ATOM 0 HZ3 TRP A 41 7.660 -7.405 -5.301 1.00 1.69 H new ATOM 0 HH2 TRP A 41 8.147 -9.614 -6.269 1.00 1.82 H new ATOM 668 N HIS A 42 0.098 -7.432 -5.403 1.00 1.12 N ATOM 669 CA HIS A 42 -0.775 -7.990 -6.423 1.00 1.19 C ATOM 670 C HIS A 42 -2.188 -7.453 -6.281 1.00 1.12 C ATOM 671 O HIS A 42 -2.640 -7.160 -5.174 1.00 1.01 O ATOM 672 CB HIS A 42 -0.779 -9.521 -6.308 1.00 1.23 C ATOM 673 CG HIS A 42 -1.350 -10.229 -7.498 1.00 1.31 C ATOM 674 ND1 HIS A 42 -2.691 -10.514 -7.582 1.00 1.33 N ATOM 675 CD2 HIS A 42 -0.729 -10.683 -8.612 1.00 1.40 C ATOM 676 CE1 HIS A 42 -2.855 -11.130 -8.739 1.00 1.42 C ATOM 677 NE2 HIS A 42 -1.694 -11.257 -9.398 1.00 1.46 N ATOM 0 H HIS A 42 -0.371 -7.163 -4.538 1.00 1.12 H new ATOM 0 HA HIS A 42 -0.400 -7.697 -7.404 1.00 1.19 H new ATOM 0 HB2 HIS A 42 0.244 -9.864 -6.152 1.00 1.23 H new ATOM 0 HB3 HIS A 42 -1.349 -9.805 -5.423 1.00 1.23 H new ATOM 0 HD2 HIS A 42 0.324 -10.607 -8.838 1.00 1.40 H new ATOM 0 HE1 HIS A 42 -3.805 -11.487 -9.108 1.00 1.42 H new ATOM 0 HE2 HIS A 42 -1.556 -11.696 -10.308 1.00 1.46 H new ATOM 685 N VAL A 43 -2.865 -7.319 -7.410 1.00 1.20 N ATOM 686 CA VAL A 43 -4.234 -6.830 -7.444 1.00 1.18 C ATOM 687 C VAL A 43 -5.110 -7.814 -8.210 1.00 1.24 C ATOM 688 O VAL A 43 -4.806 -8.158 -9.354 1.00 1.37 O ATOM 689 CB VAL A 43 -4.326 -5.442 -8.119 1.00 1.21 C ATOM 690 CG1 VAL A 43 -5.759 -4.933 -8.091 1.00 1.20 C ATOM 691 CG2 VAL A 43 -3.393 -4.444 -7.447 1.00 1.14 C ATOM 0 H VAL A 43 -2.482 -7.546 -8.328 1.00 1.20 H new ATOM 0 HA VAL A 43 -4.579 -6.735 -6.414 1.00 1.18 H new ATOM 0 HB VAL A 43 -4.013 -5.549 -9.158 1.00 1.21 H new ATOM 0 HG11 VAL A 43 -5.807 -3.955 -8.570 1.00 1.20 H new ATOM 0 HG12 VAL A 43 -6.404 -5.631 -8.625 1.00 1.20 H new ATOM 0 HG13 VAL A 43 -6.095 -4.848 -7.057 1.00 1.20 H new ATOM 0 HG21 VAL A 43 -3.478 -3.476 -7.942 1.00 1.14 H new ATOM 0 HG22 VAL A 43 -3.667 -4.340 -6.397 1.00 1.14 H new ATOM 0 HG23 VAL A 43 -2.365 -4.800 -7.521 1.00 1.14 H new ATOM 701 N GLU A 44 -6.172 -8.284 -7.574 1.00 1.17 N ATOM 702 CA GLU A 44 -7.090 -9.209 -8.186 1.00 1.23 C ATOM 703 C GLU A 44 -7.744 -8.588 -9.420 1.00 1.34 C ATOM 704 O GLU A 44 -8.262 -7.469 -9.360 1.00 1.35 O ATOM 705 CB GLU A 44 -8.154 -9.589 -7.167 1.00 1.16 C ATOM 706 CG GLU A 44 -7.628 -10.388 -5.986 1.00 1.11 C ATOM 707 CD GLU A 44 -6.857 -11.620 -6.407 1.00 1.19 C ATOM 708 OE1 GLU A 44 -7.331 -12.347 -7.303 1.00 1.17 O ATOM 709 OE2 GLU A 44 -5.777 -11.870 -5.836 1.00 1.54 O ATOM 0 H GLU A 44 -6.415 -8.029 -6.617 1.00 1.17 H new ATOM 0 HA GLU A 44 -6.546 -10.098 -8.506 1.00 1.23 H new ATOM 0 HB2 GLU A 44 -8.626 -8.680 -6.795 1.00 1.16 H new ATOM 0 HB3 GLU A 44 -8.930 -10.169 -7.667 1.00 1.16 H new ATOM 0 HG2 GLU A 44 -6.983 -9.751 -5.381 1.00 1.11 H new ATOM 0 HG3 GLU A 44 -8.464 -10.687 -5.354 1.00 1.11 H new ATOM 716 N ASP A 45 -7.716 -9.310 -10.533 1.00 1.44 N ATOM 717 CA ASP A 45 -8.306 -8.819 -11.772 1.00 1.55 C ATOM 718 C ASP A 45 -9.814 -8.707 -11.634 1.00 1.55 C ATOM 719 O ASP A 45 -10.523 -9.711 -11.556 1.00 1.60 O ATOM 720 CB ASP A 45 -7.956 -9.729 -12.950 1.00 1.69 C ATOM 721 CG ASP A 45 -6.729 -9.255 -13.703 1.00 1.81 C ATOM 722 OD1 ASP A 45 -6.731 -8.100 -14.178 1.00 1.94 O ATOM 723 OD2 ASP A 45 -5.759 -10.036 -13.822 1.00 1.92 O ATOM 0 H ASP A 45 -7.292 -10.235 -10.603 1.00 1.44 H new ATOM 0 HA ASP A 45 -7.892 -7.830 -11.969 1.00 1.55 H new ATOM 0 HB2 ASP A 45 -7.786 -10.742 -12.585 1.00 1.69 H new ATOM 0 HB3 ASP A 45 -8.803 -9.775 -13.634 1.00 1.69 H new ATOM 728 N GLY A 46 -10.298 -7.480 -11.595 1.00 1.54 N ATOM 729 CA GLY A 46 -11.717 -7.251 -11.451 1.00 1.56 C ATOM 730 C GLY A 46 -12.094 -6.939 -10.022 1.00 1.46 C ATOM 731 O GLY A 46 -13.269 -6.784 -9.703 1.00 1.49 O ATOM 0 H GLY A 46 -9.732 -6.634 -11.661 1.00 1.54 H new ATOM 0 HA2 GLY A 46 -12.019 -6.425 -12.095 1.00 1.56 H new ATOM 0 HA3 GLY A 46 -12.263 -8.133 -11.787 1.00 1.56 H new ATOM 735 N GLY A 47 -11.089 -6.859 -9.158 1.00 1.37 N ATOM 736 CA GLY A 47 -11.330 -6.552 -7.765 1.00 1.28 C ATOM 737 C GLY A 47 -11.558 -5.069 -7.550 1.00 1.27 C ATOM 738 O GLY A 47 -11.341 -4.275 -8.465 1.00 1.33 O ATOM 0 H GLY A 47 -10.109 -7.002 -9.401 1.00 1.37 H new ATOM 0 HA2 GLY A 47 -12.199 -7.109 -7.415 1.00 1.28 H new ATOM 0 HA3 GLY A 47 -10.479 -6.880 -7.167 1.00 1.28 H new ATOM 742 N PRO A 48 -11.956 -4.656 -6.336 1.00 1.20 N ATOM 743 CA PRO A 48 -12.230 -3.250 -6.007 1.00 1.20 C ATOM 744 C PRO A 48 -11.035 -2.376 -6.294 1.00 1.16 C ATOM 745 O PRO A 48 -11.149 -1.309 -6.890 1.00 1.21 O ATOM 746 CB PRO A 48 -12.487 -3.307 -4.503 1.00 1.13 C ATOM 747 CG PRO A 48 -12.997 -4.664 -4.285 1.00 1.13 C ATOM 748 CD PRO A 48 -12.148 -5.517 -5.161 1.00 1.13 C ATOM 0 HA PRO A 48 -13.052 -2.830 -6.586 1.00 1.20 H new ATOM 0 HB2 PRO A 48 -11.575 -3.127 -3.934 1.00 1.13 H new ATOM 0 HB3 PRO A 48 -13.210 -2.553 -4.192 1.00 1.13 H new ATOM 0 HG2 PRO A 48 -12.912 -4.958 -3.239 1.00 1.13 H new ATOM 0 HG3 PRO A 48 -14.051 -4.742 -4.553 1.00 1.13 H new ATOM 0 HD2 PRO A 48 -11.202 -5.775 -4.686 1.00 1.13 H new ATOM 0 HD3 PRO A 48 -12.641 -6.454 -5.419 1.00 1.13 H new ATOM 756 N ALA A 49 -9.890 -2.849 -5.857 1.00 1.09 N ATOM 757 CA ALA A 49 -8.640 -2.131 -6.064 1.00 1.06 C ATOM 758 C ALA A 49 -8.322 -2.002 -7.545 1.00 1.16 C ATOM 759 O ALA A 49 -7.802 -0.979 -7.990 1.00 1.19 O ATOM 760 CB ALA A 49 -7.495 -2.811 -5.331 1.00 0.97 C ATOM 0 H ALA A 49 -9.792 -3.731 -5.353 1.00 1.09 H new ATOM 0 HA ALA A 49 -8.762 -1.128 -5.654 1.00 1.06 H new ATOM 0 HB1 ALA A 49 -6.573 -2.255 -5.502 1.00 0.97 H new ATOM 0 HB2 ALA A 49 -7.711 -2.837 -4.263 1.00 0.97 H new ATOM 0 HB3 ALA A 49 -7.379 -3.829 -5.702 1.00 0.97 H new ATOM 766 N SER A 50 -8.650 -3.036 -8.304 1.00 1.23 N ATOM 767 CA SER A 50 -8.424 -3.034 -9.742 1.00 1.34 C ATOM 768 C SER A 50 -9.300 -1.977 -10.384 1.00 1.40 C ATOM 769 O SER A 50 -8.902 -1.294 -11.328 1.00 1.46 O ATOM 770 CB SER A 50 -8.769 -4.402 -10.323 1.00 1.41 C ATOM 771 OG SER A 50 -8.139 -4.610 -11.574 1.00 1.45 O ATOM 0 H SER A 50 -9.076 -3.891 -7.947 1.00 1.23 H new ATOM 0 HA SER A 50 -7.375 -2.815 -9.943 1.00 1.34 H new ATOM 0 HB2 SER A 50 -8.462 -5.182 -9.626 1.00 1.41 H new ATOM 0 HB3 SER A 50 -9.849 -4.486 -10.440 1.00 1.41 H new ATOM 0 HG SER A 50 -7.961 -5.566 -11.696 1.00 1.45 H new ATOM 777 N GLU A 51 -10.494 -1.848 -9.836 1.00 1.39 N ATOM 778 CA GLU A 51 -11.468 -0.886 -10.323 1.00 1.46 C ATOM 779 C GLU A 51 -11.073 0.522 -9.908 1.00 1.45 C ATOM 780 O GLU A 51 -11.309 1.495 -10.629 1.00 1.55 O ATOM 781 CB GLU A 51 -12.861 -1.224 -9.788 1.00 1.47 C ATOM 782 CG GLU A 51 -13.320 -2.629 -10.138 1.00 1.50 C ATOM 783 CD GLU A 51 -14.814 -2.810 -9.980 1.00 1.58 C ATOM 784 OE1 GLU A 51 -15.568 -2.307 -10.837 1.00 1.84 O ATOM 785 OE2 GLU A 51 -15.246 -3.459 -9.001 1.00 1.55 O ATOM 0 H GLU A 51 -10.816 -2.404 -9.044 1.00 1.39 H new ATOM 0 HA GLU A 51 -11.490 -0.935 -11.412 1.00 1.46 H new ATOM 0 HB2 GLU A 51 -12.863 -1.109 -8.704 1.00 1.47 H new ATOM 0 HB3 GLU A 51 -13.578 -0.506 -10.186 1.00 1.47 H new ATOM 0 HG2 GLU A 51 -13.037 -2.854 -11.166 1.00 1.50 H new ATOM 0 HG3 GLU A 51 -12.802 -3.346 -9.501 1.00 1.50 H new ATOM 792 N ALA A 52 -10.463 0.610 -8.740 1.00 1.33 N ATOM 793 CA ALA A 52 -10.011 1.872 -8.194 1.00 1.31 C ATOM 794 C ALA A 52 -8.807 2.401 -8.967 1.00 1.34 C ATOM 795 O ALA A 52 -8.569 3.609 -9.012 1.00 1.36 O ATOM 796 CB ALA A 52 -9.678 1.700 -6.725 1.00 1.20 C ATOM 0 H ALA A 52 -10.268 -0.194 -8.144 1.00 1.33 H new ATOM 0 HA ALA A 52 -10.811 2.606 -8.292 1.00 1.31 H new ATOM 0 HB1 ALA A 52 -9.338 2.651 -6.315 1.00 1.20 H new ATOM 0 HB2 ALA A 52 -10.567 1.370 -6.187 1.00 1.20 H new ATOM 0 HB3 ALA A 52 -8.890 0.955 -6.615 1.00 1.20 H new ATOM 802 N GLY A 53 -8.057 1.489 -9.577 1.00 1.35 N ATOM 803 CA GLY A 53 -6.904 1.883 -10.353 1.00 1.39 C ATOM 804 C GLY A 53 -5.581 1.566 -9.687 1.00 1.31 C ATOM 805 O GLY A 53 -4.536 2.035 -10.137 1.00 1.33 O ATOM 0 H GLY A 53 -8.230 0.484 -9.546 1.00 1.35 H new ATOM 0 HA2 GLY A 53 -6.942 1.384 -11.321 1.00 1.39 H new ATOM 0 HA3 GLY A 53 -6.956 2.955 -10.545 1.00 1.39 H new ATOM 809 N LEU A 54 -5.616 0.787 -8.613 1.00 1.22 N ATOM 810 CA LEU A 54 -4.395 0.421 -7.907 1.00 1.14 C ATOM 811 C LEU A 54 -3.525 -0.457 -8.795 1.00 1.21 C ATOM 812 O LEU A 54 -4.025 -1.340 -9.495 1.00 1.26 O ATOM 813 CB LEU A 54 -4.721 -0.328 -6.616 1.00 1.04 C ATOM 814 CG LEU A 54 -3.969 0.140 -5.363 1.00 0.94 C ATOM 815 CD1 LEU A 54 -3.969 -0.947 -4.303 1.00 0.85 C ATOM 816 CD2 LEU A 54 -2.545 0.543 -5.698 1.00 0.96 C ATOM 0 H LEU A 54 -6.471 0.399 -8.214 1.00 1.22 H new ATOM 0 HA LEU A 54 -3.857 1.336 -7.657 1.00 1.14 H new ATOM 0 HB2 LEU A 54 -5.791 -0.241 -6.428 1.00 1.04 H new ATOM 0 HB3 LEU A 54 -4.510 -1.386 -6.769 1.00 1.04 H new ATOM 0 HG LEU A 54 -4.488 1.014 -4.970 1.00 0.94 H new ATOM 0 HD11 LEU A 54 -3.431 -0.596 -3.422 1.00 0.85 H new ATOM 0 HD12 LEU A 54 -4.996 -1.188 -4.029 1.00 0.85 H new ATOM 0 HD13 LEU A 54 -3.480 -1.838 -4.696 1.00 0.85 H new ATOM 0 HD21 LEU A 54 -2.037 0.870 -4.791 1.00 0.96 H new ATOM 0 HD22 LEU A 54 -2.016 -0.310 -6.123 1.00 0.96 H new ATOM 0 HD23 LEU A 54 -2.558 1.359 -6.421 1.00 0.96 H new ATOM 828 N ARG A 55 -2.234 -0.203 -8.766 1.00 1.21 N ATOM 829 CA ARG A 55 -1.284 -0.956 -9.563 1.00 1.28 C ATOM 830 C ARG A 55 -0.234 -1.593 -8.669 1.00 1.23 C ATOM 831 O ARG A 55 0.361 -0.924 -7.827 1.00 1.18 O ATOM 832 CB ARG A 55 -0.617 -0.031 -10.579 1.00 1.36 C ATOM 833 CG ARG A 55 -1.611 0.834 -11.329 1.00 1.41 C ATOM 834 CD ARG A 55 -2.285 0.060 -12.448 1.00 1.51 C ATOM 835 NE ARG A 55 -3.423 0.787 -13.011 1.00 1.57 N ATOM 836 CZ ARG A 55 -4.661 0.293 -13.095 1.00 1.58 C ATOM 837 NH1 ARG A 55 -4.934 -0.924 -12.635 1.00 1.55 N ATOM 838 NH2 ARG A 55 -5.631 1.023 -13.634 1.00 1.68 N ATOM 0 H ARG A 55 -1.813 0.528 -8.192 1.00 1.21 H new ATOM 0 HA ARG A 55 -1.815 -1.747 -10.093 1.00 1.28 H new ATOM 0 HB2 ARG A 55 0.099 0.610 -10.065 1.00 1.36 H new ATOM 0 HB3 ARG A 55 -0.053 -0.630 -11.293 1.00 1.36 H new ATOM 0 HG2 ARG A 55 -2.366 1.207 -10.637 1.00 1.41 H new ATOM 0 HG3 ARG A 55 -1.100 1.703 -11.742 1.00 1.41 H new ATOM 0 HD2 ARG A 55 -1.560 -0.144 -13.236 1.00 1.51 H new ATOM 0 HD3 ARG A 55 -2.623 -0.904 -12.069 1.00 1.51 H new ATOM 0 HE ARG A 55 -3.261 1.731 -13.362 1.00 1.57 H new ATOM 0 HH11 ARG A 55 -4.195 -1.488 -12.214 1.00 1.55 H new ATOM 0 HH12 ARG A 55 -5.882 -1.294 -12.703 1.00 1.55 H new ATOM 0 HH21 ARG A 55 -5.430 1.960 -13.983 1.00 1.68 H new ATOM 0 HH22 ARG A 55 -6.577 0.647 -13.699 1.00 1.68 H new ATOM 852 N GLN A 56 -0.019 -2.887 -8.844 1.00 1.29 N ATOM 853 CA GLN A 56 0.965 -3.598 -8.041 1.00 1.27 C ATOM 854 C GLN A 56 2.375 -3.219 -8.465 1.00 1.33 C ATOM 855 O GLN A 56 2.684 -3.153 -9.656 1.00 1.41 O ATOM 856 CB GLN A 56 0.791 -5.121 -8.105 1.00 1.34 C ATOM 857 CG GLN A 56 -0.167 -5.610 -9.160 1.00 1.40 C ATOM 858 CD GLN A 56 0.090 -7.043 -9.576 1.00 1.53 C ATOM 859 OE1 GLN A 56 -0.846 -7.803 -9.817 1.00 1.56 O ATOM 860 NE2 GLN A 56 1.356 -7.418 -9.683 1.00 1.78 N ATOM 0 H GLN A 56 -0.508 -3.463 -9.529 1.00 1.29 H new ATOM 0 HA GLN A 56 0.801 -3.296 -7.007 1.00 1.27 H new ATOM 0 HB2 GLN A 56 1.766 -5.576 -8.282 1.00 1.34 H new ATOM 0 HB3 GLN A 56 0.447 -5.473 -7.132 1.00 1.34 H new ATOM 0 HG2 GLN A 56 -1.187 -5.524 -8.785 1.00 1.40 H new ATOM 0 HG3 GLN A 56 -0.094 -4.965 -10.036 1.00 1.40 H new ATOM 0 HE21 GLN A 56 2.103 -6.756 -9.474 1.00 1.78 H new ATOM 0 HE22 GLN A 56 1.583 -8.369 -9.975 1.00 1.78 H new ATOM 869 N GLY A 57 3.220 -2.968 -7.482 1.00 1.30 N ATOM 870 CA GLY A 57 4.587 -2.587 -7.751 1.00 1.37 C ATOM 871 C GLY A 57 4.812 -1.097 -7.597 1.00 1.33 C ATOM 872 O GLY A 57 5.874 -0.591 -7.950 1.00 1.39 O ATOM 0 H GLY A 57 2.980 -3.022 -6.492 1.00 1.30 H new ATOM 0 HA2 GLY A 57 5.251 -3.124 -7.074 1.00 1.37 H new ATOM 0 HA3 GLY A 57 4.853 -2.889 -8.764 1.00 1.37 H new ATOM 876 N ASP A 58 3.801 -0.389 -7.100 1.00 1.24 N ATOM 877 CA ASP A 58 3.920 1.050 -6.872 1.00 1.21 C ATOM 878 C ASP A 58 4.433 1.305 -5.468 1.00 1.13 C ATOM 879 O ASP A 58 5.054 0.446 -4.853 1.00 1.13 O ATOM 880 CB ASP A 58 2.573 1.759 -7.026 1.00 1.16 C ATOM 881 CG ASP A 58 2.009 1.702 -8.437 1.00 1.26 C ATOM 882 OD1 ASP A 58 2.654 1.080 -9.309 1.00 1.43 O ATOM 883 OD2 ASP A 58 0.905 2.241 -8.677 1.00 1.29 O ATOM 0 H ASP A 58 2.895 -0.784 -6.848 1.00 1.24 H new ATOM 0 HA ASP A 58 4.613 1.442 -7.616 1.00 1.21 H new ATOM 0 HB2 ASP A 58 1.856 1.310 -6.339 1.00 1.16 H new ATOM 0 HB3 ASP A 58 2.686 2.802 -6.731 1.00 1.16 H new ATOM 888 N LEU A 59 4.157 2.488 -4.960 1.00 1.06 N ATOM 889 CA LEU A 59 4.561 2.853 -3.634 1.00 0.99 C ATOM 890 C LEU A 59 3.431 3.578 -2.943 1.00 0.89 C ATOM 891 O LEU A 59 3.027 4.661 -3.363 1.00 0.90 O ATOM 892 CB LEU A 59 5.801 3.751 -3.657 1.00 1.05 C ATOM 893 CG LEU A 59 7.139 3.036 -3.522 1.00 1.13 C ATOM 894 CD1 LEU A 59 8.273 4.048 -3.498 1.00 1.19 C ATOM 895 CD2 LEU A 59 7.165 2.178 -2.267 1.00 1.06 C ATOM 0 H LEU A 59 3.647 3.216 -5.460 1.00 1.06 H new ATOM 0 HA LEU A 59 4.809 1.940 -3.092 1.00 0.99 H new ATOM 0 HB2 LEU A 59 5.803 4.312 -4.591 1.00 1.05 H new ATOM 0 HB3 LEU A 59 5.715 4.478 -2.849 1.00 1.05 H new ATOM 0 HG LEU A 59 7.271 2.382 -4.384 1.00 1.13 H new ATOM 0 HD11 LEU A 59 9.225 3.526 -3.401 1.00 1.19 H new ATOM 0 HD12 LEU A 59 8.267 4.623 -4.424 1.00 1.19 H new ATOM 0 HD13 LEU A 59 8.141 4.722 -2.652 1.00 1.19 H new ATOM 0 HD21 LEU A 59 8.129 1.676 -2.189 1.00 1.06 H new ATOM 0 HD22 LEU A 59 7.013 2.809 -1.391 1.00 1.06 H new ATOM 0 HD23 LEU A 59 6.371 1.433 -2.319 1.00 1.06 H new ATOM 907 N ILE A 60 2.888 2.966 -1.919 1.00 0.80 N ATOM 908 CA ILE A 60 1.823 3.591 -1.172 1.00 0.71 C ATOM 909 C ILE A 60 2.425 4.547 -0.148 1.00 0.68 C ATOM 910 O ILE A 60 3.039 4.121 0.828 1.00 0.66 O ATOM 911 CB ILE A 60 0.931 2.554 -0.460 1.00 0.62 C ATOM 912 CG1 ILE A 60 0.236 1.645 -1.484 1.00 0.67 C ATOM 913 CG2 ILE A 60 -0.089 3.254 0.426 1.00 0.54 C ATOM 914 CD1 ILE A 60 -0.238 0.332 -0.906 1.00 0.63 C ATOM 0 H ILE A 60 3.163 2.042 -1.585 1.00 0.80 H new ATOM 0 HA ILE A 60 1.191 4.136 -1.873 1.00 0.71 H new ATOM 0 HB ILE A 60 1.561 1.928 0.172 1.00 0.62 H new ATOM 0 HG12 ILE A 60 -0.617 2.175 -1.907 1.00 0.67 H new ATOM 0 HG13 ILE A 60 0.925 1.443 -2.304 1.00 0.67 H new ATOM 0 HG21 ILE A 60 -0.712 2.510 0.922 1.00 0.54 H new ATOM 0 HG22 ILE A 60 0.430 3.851 1.176 1.00 0.54 H new ATOM 0 HG23 ILE A 60 -0.717 3.903 -0.185 1.00 0.54 H new ATOM 0 HD11 ILE A 60 -0.719 -0.257 -1.687 1.00 0.63 H new ATOM 0 HD12 ILE A 60 0.614 -0.219 -0.508 1.00 0.63 H new ATOM 0 HD13 ILE A 60 -0.952 0.524 -0.105 1.00 0.63 H new ATOM 926 N THR A 61 2.257 5.836 -0.387 1.00 0.70 N ATOM 927 CA THR A 61 2.809 6.848 0.497 1.00 0.70 C ATOM 928 C THR A 61 1.803 7.287 1.561 1.00 0.61 C ATOM 929 O THR A 61 2.184 7.584 2.698 1.00 0.58 O ATOM 930 CB THR A 61 3.320 8.071 -0.305 1.00 0.80 C ATOM 931 OG1 THR A 61 3.628 9.164 0.573 1.00 0.79 O ATOM 932 CG2 THR A 61 2.302 8.516 -1.349 1.00 0.86 C ATOM 0 H THR A 61 1.743 6.207 -1.186 1.00 0.70 H new ATOM 0 HA THR A 61 3.656 6.394 1.011 1.00 0.70 H new ATOM 0 HB THR A 61 4.230 7.764 -0.821 1.00 0.80 H new ATOM 0 HG1 THR A 61 3.950 9.926 0.047 1.00 0.79 H new ATOM 0 HG21 THR A 61 2.692 9.376 -1.894 1.00 0.86 H new ATOM 0 HG22 THR A 61 2.115 7.699 -2.046 1.00 0.86 H new ATOM 0 HG23 THR A 61 1.371 8.792 -0.855 1.00 0.86 H new ATOM 940 N HIS A 62 0.519 7.317 1.216 1.00 0.60 N ATOM 941 CA HIS A 62 -0.502 7.731 2.177 1.00 0.57 C ATOM 942 C HIS A 62 -1.715 6.823 2.112 1.00 0.55 C ATOM 943 O HIS A 62 -2.094 6.345 1.042 1.00 0.59 O ATOM 944 CB HIS A 62 -0.971 9.181 1.955 1.00 0.66 C ATOM 945 CG HIS A 62 0.123 10.190 1.771 1.00 0.75 C ATOM 946 ND1 HIS A 62 0.488 10.634 0.524 1.00 0.81 N ATOM 947 CD2 HIS A 62 0.875 10.825 2.700 1.00 0.86 C ATOM 948 CE1 HIS A 62 1.444 11.524 0.718 1.00 0.91 C ATOM 949 NE2 HIS A 62 1.714 11.672 2.022 1.00 0.95 N ATOM 0 H HIS A 62 0.163 7.064 0.294 1.00 0.60 H new ATOM 0 HA HIS A 62 -0.031 7.662 3.157 1.00 0.57 H new ATOM 0 HB2 HIS A 62 -1.616 9.206 1.077 1.00 0.66 H new ATOM 0 HB3 HIS A 62 -1.580 9.482 2.807 1.00 0.66 H new ATOM 0 HD2 HIS A 62 0.824 10.690 3.770 1.00 0.86 H new ATOM 0 HE1 HIS A 62 1.944 12.063 -0.073 1.00 0.91 H new ATOM 0 HE2 HIS A 62 2.410 12.295 2.432 1.00 0.95 H new ATOM 957 N VAL A 63 -2.316 6.593 3.264 1.00 0.51 N ATOM 958 CA VAL A 63 -3.509 5.774 3.364 1.00 0.50 C ATOM 959 C VAL A 63 -4.595 6.576 4.060 1.00 0.58 C ATOM 960 O VAL A 63 -4.455 6.914 5.231 1.00 0.59 O ATOM 961 CB VAL A 63 -3.253 4.471 4.149 1.00 0.42 C ATOM 962 CG1 VAL A 63 -4.557 3.727 4.382 1.00 0.44 C ATOM 963 CG2 VAL A 63 -2.256 3.586 3.417 1.00 0.38 C ATOM 0 H VAL A 63 -1.992 6.968 4.155 1.00 0.51 H new ATOM 0 HA VAL A 63 -3.816 5.496 2.356 1.00 0.50 H new ATOM 0 HB VAL A 63 -2.826 4.734 5.117 1.00 0.42 H new ATOM 0 HG11 VAL A 63 -4.359 2.810 4.937 1.00 0.44 H new ATOM 0 HG12 VAL A 63 -5.238 4.357 4.954 1.00 0.44 H new ATOM 0 HG13 VAL A 63 -5.011 3.479 3.423 1.00 0.44 H new ATOM 0 HG21 VAL A 63 -2.091 2.673 3.989 1.00 0.38 H new ATOM 0 HG22 VAL A 63 -2.650 3.331 2.433 1.00 0.38 H new ATOM 0 HG23 VAL A 63 -1.312 4.118 3.303 1.00 0.38 H new ATOM 973 N ASN A 64 -5.652 6.907 3.325 1.00 0.67 N ATOM 974 CA ASN A 64 -6.770 7.689 3.861 1.00 0.76 C ATOM 975 C ASN A 64 -6.299 9.095 4.214 1.00 0.81 C ATOM 976 O ASN A 64 -6.910 9.787 5.032 1.00 0.90 O ATOM 977 CB ASN A 64 -7.394 7.008 5.091 1.00 0.77 C ATOM 978 CG ASN A 64 -8.050 5.687 4.765 1.00 0.75 C ATOM 979 OD1 ASN A 64 -8.656 5.522 3.707 1.00 0.80 O ATOM 980 ND2 ASN A 64 -7.930 4.735 5.677 1.00 0.70 N ATOM 0 H ASN A 64 -5.761 6.644 2.346 1.00 0.67 H new ATOM 0 HA ASN A 64 -7.540 7.751 3.092 1.00 0.76 H new ATOM 0 HB2 ASN A 64 -6.621 6.848 5.842 1.00 0.77 H new ATOM 0 HB3 ASN A 64 -8.134 7.676 5.533 1.00 0.77 H new ATOM 0 HD21 ASN A 64 -8.349 3.819 5.516 1.00 0.70 H new ATOM 0 HD22 ASN A 64 -7.418 4.917 6.540 1.00 0.70 H new ATOM 987 N GLY A 65 -5.216 9.520 3.571 1.00 0.78 N ATOM 988 CA GLY A 65 -4.661 10.833 3.823 1.00 0.83 C ATOM 989 C GLY A 65 -3.650 10.829 4.952 1.00 0.81 C ATOM 990 O GLY A 65 -3.227 11.886 5.417 1.00 0.90 O ATOM 0 H GLY A 65 -4.711 8.972 2.875 1.00 0.78 H new ATOM 0 HA2 GLY A 65 -4.185 11.203 2.915 1.00 0.83 H new ATOM 0 HA3 GLY A 65 -5.468 11.525 4.065 1.00 0.83 H new ATOM 994 N GLU A 66 -3.256 9.642 5.391 1.00 0.71 N ATOM 995 CA GLU A 66 -2.299 9.513 6.479 1.00 0.71 C ATOM 996 C GLU A 66 -0.934 9.073 5.958 1.00 0.66 C ATOM 997 O GLU A 66 -0.841 8.109 5.196 1.00 0.58 O ATOM 998 CB GLU A 66 -2.799 8.479 7.484 1.00 0.70 C ATOM 999 CG GLU A 66 -4.279 8.590 7.816 1.00 0.77 C ATOM 1000 CD GLU A 66 -4.604 9.774 8.699 1.00 0.95 C ATOM 1001 OE1 GLU A 66 -3.723 10.209 9.473 1.00 1.30 O ATOM 1002 OE2 GLU A 66 -5.747 10.276 8.628 1.00 1.36 O ATOM 0 H GLU A 66 -3.585 8.755 5.010 1.00 0.71 H new ATOM 0 HA GLU A 66 -2.198 10.487 6.957 1.00 0.71 H new ATOM 0 HB2 GLU A 66 -2.601 7.482 7.090 1.00 0.70 H new ATOM 0 HB3 GLU A 66 -2.224 8.578 8.405 1.00 0.70 H new ATOM 0 HG2 GLU A 66 -4.848 8.669 6.889 1.00 0.77 H new ATOM 0 HG3 GLU A 66 -4.603 7.675 8.312 1.00 0.77 H new ATOM 1009 N PRO A 67 0.142 9.775 6.351 1.00 0.73 N ATOM 1010 CA PRO A 67 1.498 9.421 5.944 1.00 0.72 C ATOM 1011 C PRO A 67 1.957 8.165 6.678 1.00 0.64 C ATOM 1012 O PRO A 67 2.194 8.181 7.890 1.00 0.72 O ATOM 1013 CB PRO A 67 2.339 10.635 6.345 1.00 0.84 C ATOM 1014 CG PRO A 67 1.564 11.321 7.420 1.00 0.90 C ATOM 1015 CD PRO A 67 0.114 10.958 7.228 1.00 0.84 C ATOM 0 HA PRO A 67 1.580 9.200 4.880 1.00 0.72 H new ATOM 0 HB2 PRO A 67 3.322 10.330 6.704 1.00 0.84 H new ATOM 0 HB3 PRO A 67 2.502 11.298 5.495 1.00 0.84 H new ATOM 0 HG2 PRO A 67 1.912 11.007 8.404 1.00 0.90 H new ATOM 0 HG3 PRO A 67 1.701 12.401 7.363 1.00 0.90 H new ATOM 0 HD2 PRO A 67 -0.369 10.735 8.180 1.00 0.84 H new ATOM 0 HD3 PRO A 67 -0.443 11.777 6.772 1.00 0.84 H new ATOM 1023 N VAL A 68 2.065 7.074 5.943 1.00 0.53 N ATOM 1024 CA VAL A 68 2.447 5.794 6.526 1.00 0.48 C ATOM 1025 C VAL A 68 3.947 5.550 6.458 1.00 0.56 C ATOM 1026 O VAL A 68 4.435 4.513 6.916 1.00 0.60 O ATOM 1027 CB VAL A 68 1.716 4.623 5.844 1.00 0.42 C ATOM 1028 CG1 VAL A 68 0.212 4.781 5.985 1.00 0.40 C ATOM 1029 CG2 VAL A 68 2.106 4.513 4.377 1.00 0.52 C ATOM 0 H VAL A 68 1.894 7.045 4.938 1.00 0.53 H new ATOM 0 HA VAL A 68 2.153 5.844 7.574 1.00 0.48 H new ATOM 0 HB VAL A 68 2.018 3.701 6.342 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -0.289 3.945 5.497 1.00 0.40 H new ATOM 0 HG12 VAL A 68 -0.055 4.797 7.042 1.00 0.40 H new ATOM 0 HG13 VAL A 68 -0.101 5.714 5.517 1.00 0.40 H new ATOM 0 HG21 VAL A 68 1.575 3.678 3.921 1.00 0.52 H new ATOM 0 HG22 VAL A 68 1.843 5.436 3.860 1.00 0.52 H new ATOM 0 HG23 VAL A 68 3.180 4.346 4.298 1.00 0.52 H new ATOM 1039 N HIS A 69 4.675 6.500 5.890 1.00 0.62 N ATOM 1040 CA HIS A 69 6.120 6.379 5.774 1.00 0.73 C ATOM 1041 C HIS A 69 6.759 6.346 7.159 1.00 0.77 C ATOM 1042 O HIS A 69 6.914 7.382 7.808 1.00 0.84 O ATOM 1043 CB HIS A 69 6.692 7.537 4.946 1.00 0.82 C ATOM 1044 CG HIS A 69 8.168 7.422 4.680 1.00 0.94 C ATOM 1045 ND1 HIS A 69 8.644 6.911 3.498 1.00 1.39 N ATOM 1046 CD2 HIS A 69 9.218 7.747 5.474 1.00 1.09 C ATOM 1047 CE1 HIS A 69 9.964 6.931 3.600 1.00 1.37 C ATOM 1048 NE2 HIS A 69 10.358 7.430 4.780 1.00 1.17 N ATOM 0 H HIS A 69 4.289 7.361 5.503 1.00 0.62 H new ATOM 0 HA HIS A 69 6.351 5.445 5.262 1.00 0.73 H new ATOM 0 HB2 HIS A 69 6.163 7.586 3.994 1.00 0.82 H new ATOM 0 HB3 HIS A 69 6.498 8.474 5.467 1.00 0.82 H new ATOM 0 HD2 HIS A 69 9.167 8.174 6.465 1.00 1.09 H new ATOM 0 HE1 HIS A 69 10.638 6.588 2.829 1.00 1.37 H new ATOM 0 HE2 HIS A 69 11.319 7.551 5.100 1.00 1.17 H new ATOM 1056 N GLY A 70 7.098 5.148 7.612 1.00 0.80 N ATOM 1057 CA GLY A 70 7.716 4.998 8.909 1.00 0.89 C ATOM 1058 C GLY A 70 7.076 3.903 9.737 1.00 0.86 C ATOM 1059 O GLY A 70 7.711 3.352 10.639 1.00 0.98 O ATOM 0 H GLY A 70 6.955 4.277 7.102 1.00 0.80 H new ATOM 0 HA2 GLY A 70 8.776 4.778 8.779 1.00 0.89 H new ATOM 0 HA3 GLY A 70 7.651 5.942 9.450 1.00 0.89 H new ATOM 1063 N LEU A 71 5.818 3.583 9.440 1.00 0.74 N ATOM 1064 CA LEU A 71 5.106 2.550 10.178 1.00 0.72 C ATOM 1065 C LEU A 71 5.524 1.154 9.771 1.00 0.73 C ATOM 1066 O LEU A 71 6.296 0.956 8.832 1.00 0.82 O ATOM 1067 CB LEU A 71 3.615 2.634 9.916 1.00 0.67 C ATOM 1068 CG LEU A 71 2.906 3.877 10.404 1.00 0.57 C ATOM 1069 CD1 LEU A 71 1.490 3.875 9.884 1.00 0.47 C ATOM 1070 CD2 LEU A 71 2.935 3.970 11.922 1.00 0.83 C ATOM 0 H LEU A 71 5.276 4.023 8.697 1.00 0.74 H new ATOM 0 HA LEU A 71 5.347 2.724 11.227 1.00 0.72 H new ATOM 0 HB2 LEU A 71 3.454 2.551 8.841 1.00 0.67 H new ATOM 0 HB3 LEU A 71 3.140 1.768 10.378 1.00 0.67 H new ATOM 0 HG LEU A 71 3.426 4.756 10.023 1.00 0.57 H new ATOM 0 HD11 LEU A 71 0.973 4.769 10.233 1.00 0.47 H new ATOM 0 HD12 LEU A 71 1.503 3.865 8.794 1.00 0.47 H new ATOM 0 HD13 LEU A 71 0.970 2.990 10.249 1.00 0.47 H new ATOM 0 HD21 LEU A 71 2.417 4.874 12.241 1.00 0.83 H new ATOM 0 HD22 LEU A 71 2.440 3.098 12.349 1.00 0.83 H new ATOM 0 HD23 LEU A 71 3.969 4.004 12.265 1.00 0.83 H new ATOM 1082 N VAL A 72 4.972 0.191 10.490 1.00 0.68 N ATOM 1083 CA VAL A 72 5.192 -1.206 10.204 1.00 0.68 C ATOM 1084 C VAL A 72 4.167 -1.650 9.175 1.00 0.59 C ATOM 1085 O VAL A 72 3.269 -0.882 8.822 1.00 0.52 O ATOM 1086 CB VAL A 72 5.041 -2.079 11.462 1.00 0.72 C ATOM 1087 CG1 VAL A 72 6.180 -1.827 12.437 1.00 0.82 C ATOM 1088 CG2 VAL A 72 3.691 -1.824 12.121 1.00 0.69 C ATOM 0 H VAL A 72 4.359 0.362 11.288 1.00 0.68 H new ATOM 0 HA VAL A 72 6.210 -1.325 9.832 1.00 0.68 H new ATOM 0 HB VAL A 72 5.086 -3.127 11.164 1.00 0.72 H new ATOM 0 HG11 VAL A 72 6.051 -2.456 13.318 1.00 0.82 H new ATOM 0 HG12 VAL A 72 7.129 -2.065 11.957 1.00 0.82 H new ATOM 0 HG13 VAL A 72 6.178 -0.779 12.736 1.00 0.82 H new ATOM 0 HG21 VAL A 72 3.596 -2.448 13.010 1.00 0.69 H new ATOM 0 HG22 VAL A 72 3.617 -0.774 12.405 1.00 0.69 H new ATOM 0 HG23 VAL A 72 2.892 -2.067 11.420 1.00 0.69 H new ATOM 1098 N HIS A 73 4.279 -2.883 8.723 1.00 0.60 N ATOM 1099 CA HIS A 73 3.362 -3.415 7.727 1.00 0.53 C ATOM 1100 C HIS A 73 1.919 -3.417 8.239 1.00 0.44 C ATOM 1101 O HIS A 73 1.001 -3.006 7.535 1.00 0.36 O ATOM 1102 CB HIS A 73 3.788 -4.833 7.344 1.00 0.60 C ATOM 1103 CG HIS A 73 2.952 -5.449 6.268 1.00 0.58 C ATOM 1104 ND1 HIS A 73 2.847 -4.945 4.991 1.00 0.58 N ATOM 1105 CD2 HIS A 73 2.169 -6.556 6.299 1.00 0.58 C ATOM 1106 CE1 HIS A 73 2.026 -5.745 4.304 1.00 0.58 C ATOM 1107 NE2 HIS A 73 1.588 -6.738 5.050 1.00 0.58 N ATOM 0 H HIS A 73 4.997 -3.539 9.029 1.00 0.60 H new ATOM 0 HA HIS A 73 3.400 -2.771 6.848 1.00 0.53 H new ATOM 0 HB2 HIS A 73 4.827 -4.813 7.016 1.00 0.60 H new ATOM 0 HB3 HIS A 73 3.746 -5.466 8.230 1.00 0.60 H new ATOM 0 HD1 HIS A 73 3.312 -4.111 4.633 1.00 0.58 H new ATOM 0 HD2 HIS A 73 2.021 -7.194 7.158 1.00 0.58 H new ATOM 0 HE1 HIS A 73 1.756 -5.596 3.269 1.00 0.58 H new ATOM 1115 N THR A 74 1.736 -3.843 9.475 1.00 0.48 N ATOM 1116 CA THR A 74 0.408 -3.940 10.068 1.00 0.44 C ATOM 1117 C THR A 74 -0.231 -2.589 10.384 1.00 0.41 C ATOM 1118 O THR A 74 -1.445 -2.452 10.252 1.00 0.39 O ATOM 1119 CB THR A 74 0.456 -4.783 11.342 1.00 0.52 C ATOM 1120 OG1 THR A 74 1.662 -4.496 12.062 1.00 0.57 O ATOM 1121 CG2 THR A 74 0.402 -6.262 11.004 1.00 0.57 C ATOM 0 H THR A 74 2.494 -4.130 10.094 1.00 0.48 H new ATOM 0 HA THR A 74 -0.217 -4.416 9.313 1.00 0.44 H new ATOM 0 HB THR A 74 -0.407 -4.535 11.960 1.00 0.52 H new ATOM 0 HG1 THR A 74 2.363 -5.124 11.790 1.00 0.57 H new ATOM 0 HG21 THR A 74 0.437 -6.847 11.923 1.00 0.57 H new ATOM 0 HG22 THR A 74 -0.523 -6.480 10.471 1.00 0.57 H new ATOM 0 HG23 THR A 74 1.253 -6.523 10.375 1.00 0.57 H new ATOM 1129 N GLU A 75 0.559 -1.595 10.791 1.00 0.45 N ATOM 1130 CA GLU A 75 0.005 -0.288 11.116 1.00 0.46 C ATOM 1131 C GLU A 75 -0.732 0.290 9.926 1.00 0.37 C ATOM 1132 O GLU A 75 -1.838 0.816 10.056 1.00 0.38 O ATOM 1133 CB GLU A 75 1.090 0.680 11.575 1.00 0.53 C ATOM 1134 CG GLU A 75 1.574 0.395 12.981 1.00 0.66 C ATOM 1135 CD GLU A 75 0.700 1.024 14.044 1.00 0.74 C ATOM 1136 OE1 GLU A 75 -0.525 0.784 14.025 1.00 0.88 O ATOM 1137 OE2 GLU A 75 1.223 1.770 14.895 1.00 0.80 O ATOM 0 H GLU A 75 1.570 -1.671 10.901 1.00 0.45 H new ATOM 0 HA GLU A 75 -0.698 -0.426 11.938 1.00 0.46 H new ATOM 0 HB2 GLU A 75 1.934 0.625 10.887 1.00 0.53 H new ATOM 0 HB3 GLU A 75 0.705 1.699 11.528 1.00 0.53 H new ATOM 0 HG2 GLU A 75 1.607 -0.683 13.137 1.00 0.66 H new ATOM 0 HG3 GLU A 75 2.594 0.765 13.091 1.00 0.66 H new ATOM 1144 N VAL A 76 -0.118 0.169 8.765 1.00 0.32 N ATOM 1145 CA VAL A 76 -0.716 0.669 7.543 1.00 0.25 C ATOM 1146 C VAL A 76 -1.865 -0.248 7.117 1.00 0.20 C ATOM 1147 O VAL A 76 -2.878 0.221 6.606 1.00 0.21 O ATOM 1148 CB VAL A 76 0.332 0.828 6.416 1.00 0.26 C ATOM 1149 CG1 VAL A 76 1.612 1.414 6.988 1.00 0.37 C ATOM 1150 CG2 VAL A 76 0.625 -0.486 5.714 1.00 0.28 C ATOM 0 H VAL A 76 0.794 -0.271 8.642 1.00 0.32 H new ATOM 0 HA VAL A 76 -1.117 1.664 7.737 1.00 0.25 H new ATOM 0 HB VAL A 76 -0.084 1.505 5.670 1.00 0.26 H new ATOM 0 HG11 VAL A 76 2.349 1.525 6.192 1.00 0.37 H new ATOM 0 HG12 VAL A 76 1.401 2.390 7.426 1.00 0.37 H new ATOM 0 HG13 VAL A 76 2.005 0.748 7.756 1.00 0.37 H new ATOM 0 HG21 VAL A 76 1.366 -0.323 4.931 1.00 0.28 H new ATOM 0 HG22 VAL A 76 1.011 -1.206 6.436 1.00 0.28 H new ATOM 0 HG23 VAL A 76 -0.292 -0.874 5.270 1.00 0.28 H new ATOM 1160 N VAL A 77 -1.709 -1.555 7.368 1.00 0.21 N ATOM 1161 CA VAL A 77 -2.743 -2.540 7.049 1.00 0.20 C ATOM 1162 C VAL A 77 -4.024 -2.186 7.784 1.00 0.26 C ATOM 1163 O VAL A 77 -5.100 -2.110 7.186 1.00 0.29 O ATOM 1164 CB VAL A 77 -2.292 -3.975 7.426 1.00 0.25 C ATOM 1165 CG1 VAL A 77 -3.477 -4.911 7.618 1.00 0.28 C ATOM 1166 CG2 VAL A 77 -1.354 -4.532 6.366 1.00 0.28 C ATOM 0 H VAL A 77 -0.871 -1.953 7.793 1.00 0.21 H new ATOM 0 HA VAL A 77 -2.918 -2.518 5.973 1.00 0.20 H new ATOM 0 HB VAL A 77 -1.763 -3.910 8.377 1.00 0.25 H new ATOM 0 HG11 VAL A 77 -3.116 -5.905 7.881 1.00 0.28 H new ATOM 0 HG12 VAL A 77 -4.114 -4.533 8.418 1.00 0.28 H new ATOM 0 HG13 VAL A 77 -4.051 -4.966 6.693 1.00 0.28 H new ATOM 0 HG21 VAL A 77 -1.047 -5.540 6.645 1.00 0.28 H new ATOM 0 HG22 VAL A 77 -1.868 -4.563 5.405 1.00 0.28 H new ATOM 0 HG23 VAL A 77 -0.474 -3.893 6.287 1.00 0.28 H new ATOM 1176 N GLU A 78 -3.892 -1.954 9.080 1.00 0.33 N ATOM 1177 CA GLU A 78 -5.021 -1.571 9.903 1.00 0.43 C ATOM 1178 C GLU A 78 -5.606 -0.282 9.404 1.00 0.45 C ATOM 1179 O GLU A 78 -6.810 -0.152 9.251 1.00 0.51 O ATOM 1180 CB GLU A 78 -4.596 -1.400 11.329 1.00 0.52 C ATOM 1181 CG GLU A 78 -4.117 -2.676 11.930 1.00 0.58 C ATOM 1182 CD GLU A 78 -4.225 -2.692 13.437 1.00 0.79 C ATOM 1183 OE1 GLU A 78 -3.464 -1.957 14.095 1.00 1.12 O ATOM 1184 OE2 GLU A 78 -5.065 -3.446 13.971 1.00 1.32 O ATOM 0 H GLU A 78 -3.008 -2.026 9.584 1.00 0.33 H new ATOM 0 HA GLU A 78 -5.771 -2.360 9.846 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -3.803 -0.655 11.383 1.00 0.52 H new ATOM 0 HB3 GLU A 78 -5.433 -1.017 11.913 1.00 0.52 H new ATOM 0 HG2 GLU A 78 -4.695 -3.504 11.520 1.00 0.58 H new ATOM 0 HG3 GLU A 78 -3.078 -2.840 11.643 1.00 0.58 H new ATOM 1191 N LEU A 79 -4.723 0.669 9.186 1.00 0.42 N ATOM 1192 CA LEU A 79 -5.098 1.982 8.667 1.00 0.47 C ATOM 1193 C LEU A 79 -6.060 1.820 7.495 1.00 0.48 C ATOM 1194 O LEU A 79 -7.156 2.388 7.495 1.00 0.58 O ATOM 1195 CB LEU A 79 -3.859 2.750 8.223 1.00 0.42 C ATOM 1196 CG LEU A 79 -3.730 4.160 8.788 1.00 0.50 C ATOM 1197 CD1 LEU A 79 -3.283 4.118 10.243 1.00 0.57 C ATOM 1198 CD2 LEU A 79 -2.751 4.955 7.949 1.00 0.46 C ATOM 0 H LEU A 79 -3.724 0.561 9.361 1.00 0.42 H new ATOM 0 HA LEU A 79 -5.591 2.545 9.459 1.00 0.47 H new ATOM 0 HB2 LEU A 79 -2.976 2.179 8.510 1.00 0.42 H new ATOM 0 HB3 LEU A 79 -3.860 2.811 7.135 1.00 0.42 H new ATOM 0 HG LEU A 79 -4.704 4.647 8.753 1.00 0.50 H new ATOM 0 HD11 LEU A 79 -3.197 5.135 10.627 1.00 0.57 H new ATOM 0 HD12 LEU A 79 -4.016 3.568 10.833 1.00 0.57 H new ATOM 0 HD13 LEU A 79 -2.315 3.621 10.312 1.00 0.57 H new ATOM 0 HD21 LEU A 79 -2.660 5.963 8.354 1.00 0.46 H new ATOM 0 HD22 LEU A 79 -1.777 4.467 7.967 1.00 0.46 H new ATOM 0 HD23 LEU A 79 -3.111 5.008 6.922 1.00 0.46 H new ATOM 1210 N ILE A 80 -5.630 1.051 6.493 1.00 0.40 N ATOM 1211 CA ILE A 80 -6.449 0.740 5.340 1.00 0.45 C ATOM 1212 C ILE A 80 -7.791 0.166 5.771 1.00 0.52 C ATOM 1213 O ILE A 80 -8.845 0.637 5.356 1.00 0.63 O ATOM 1214 CB ILE A 80 -5.722 -0.292 4.475 1.00 0.37 C ATOM 1215 CG1 ILE A 80 -4.419 0.305 3.973 1.00 0.33 C ATOM 1216 CG2 ILE A 80 -6.601 -0.765 3.335 1.00 0.46 C ATOM 1217 CD1 ILE A 80 -3.349 -0.722 3.738 1.00 0.27 C ATOM 0 H ILE A 80 -4.701 0.630 6.466 1.00 0.40 H new ATOM 0 HA ILE A 80 -6.623 1.657 4.777 1.00 0.45 H new ATOM 0 HB ILE A 80 -5.493 -1.171 5.077 1.00 0.37 H new ATOM 0 HG12 ILE A 80 -4.608 0.843 3.044 1.00 0.33 H new ATOM 0 HG13 ILE A 80 -4.059 1.036 4.697 1.00 0.33 H new ATOM 0 HG21 ILE A 80 -6.059 -1.497 2.737 1.00 0.46 H new ATOM 0 HG22 ILE A 80 -7.504 -1.223 3.738 1.00 0.46 H new ATOM 0 HG23 ILE A 80 -6.873 0.085 2.709 1.00 0.46 H new ATOM 0 HD11 ILE A 80 -2.445 -0.230 3.380 1.00 0.27 H new ATOM 0 HD12 ILE A 80 -3.134 -1.243 4.671 1.00 0.27 H new ATOM 0 HD13 ILE A 80 -3.691 -1.439 2.992 1.00 0.27 H new ATOM 1229 N LEU A 81 -7.729 -0.875 6.584 1.00 0.48 N ATOM 1230 CA LEU A 81 -8.921 -1.536 7.113 1.00 0.56 C ATOM 1231 C LEU A 81 -9.880 -0.554 7.806 1.00 0.68 C ATOM 1232 O LEU A 81 -11.096 -0.630 7.626 1.00 0.78 O ATOM 1233 CB LEU A 81 -8.502 -2.628 8.100 1.00 0.52 C ATOM 1234 CG LEU A 81 -7.751 -3.811 7.486 1.00 0.51 C ATOM 1235 CD1 LEU A 81 -7.195 -4.707 8.579 1.00 0.48 C ATOM 1236 CD2 LEU A 81 -8.662 -4.607 6.565 1.00 0.68 C ATOM 0 H LEU A 81 -6.852 -1.290 6.899 1.00 0.48 H new ATOM 0 HA LEU A 81 -9.456 -1.970 6.269 1.00 0.56 H new ATOM 0 HB2 LEU A 81 -7.873 -2.178 8.868 1.00 0.52 H new ATOM 0 HB3 LEU A 81 -9.394 -3.005 8.600 1.00 0.52 H new ATOM 0 HG LEU A 81 -6.922 -3.421 6.896 1.00 0.51 H new ATOM 0 HD11 LEU A 81 -6.663 -5.545 8.127 1.00 0.48 H new ATOM 0 HD12 LEU A 81 -6.508 -4.136 9.204 1.00 0.48 H new ATOM 0 HD13 LEU A 81 -8.014 -5.085 9.191 1.00 0.48 H new ATOM 0 HD21 LEU A 81 -8.108 -5.443 6.139 1.00 0.68 H new ATOM 0 HD22 LEU A 81 -9.512 -4.986 7.133 1.00 0.68 H new ATOM 0 HD23 LEU A 81 -9.020 -3.963 5.762 1.00 0.68 H new ATOM 1248 N LYS A 82 -9.327 0.364 8.591 1.00 0.68 N ATOM 1249 CA LYS A 82 -10.118 1.341 9.340 1.00 0.80 C ATOM 1250 C LYS A 82 -10.726 2.455 8.479 1.00 0.87 C ATOM 1251 O LYS A 82 -11.393 3.346 9.013 1.00 1.00 O ATOM 1252 CB LYS A 82 -9.255 1.945 10.433 1.00 0.77 C ATOM 1253 CG LYS A 82 -8.662 0.871 11.313 1.00 0.75 C ATOM 1254 CD LYS A 82 -7.928 1.435 12.521 1.00 0.77 C ATOM 1255 CE LYS A 82 -6.592 2.052 12.136 1.00 0.78 C ATOM 1256 NZ LYS A 82 -5.693 2.205 13.313 1.00 0.88 N ATOM 0 H LYS A 82 -8.320 0.454 8.728 1.00 0.68 H new ATOM 0 HA LYS A 82 -10.965 0.798 9.760 1.00 0.80 H new ATOM 0 HB2 LYS A 82 -8.455 2.535 9.985 1.00 0.77 H new ATOM 0 HB3 LYS A 82 -9.853 2.626 11.038 1.00 0.77 H new ATOM 0 HG2 LYS A 82 -9.457 0.208 11.654 1.00 0.75 H new ATOM 0 HG3 LYS A 82 -7.972 0.266 10.725 1.00 0.75 H new ATOM 0 HD2 LYS A 82 -8.550 2.188 13.004 1.00 0.77 H new ATOM 0 HD3 LYS A 82 -7.765 0.641 13.250 1.00 0.77 H new ATOM 0 HE2 LYS A 82 -6.106 1.428 11.386 1.00 0.78 H new ATOM 0 HE3 LYS A 82 -6.760 3.027 11.678 1.00 0.78 H new ATOM 0 HZ1 LYS A 82 -4.793 2.629 13.010 1.00 0.88 H new ATOM 0 HZ2 LYS A 82 -6.146 2.821 14.018 1.00 0.88 H new ATOM 0 HZ3 LYS A 82 -5.512 1.272 13.735 1.00 0.88 H new ATOM 1270 N SER A 83 -10.463 2.431 7.176 1.00 0.82 N ATOM 1271 CA SER A 83 -11.009 3.426 6.250 1.00 0.90 C ATOM 1272 C SER A 83 -12.528 3.568 6.394 1.00 1.02 C ATOM 1273 O SER A 83 -13.030 4.627 6.785 1.00 1.08 O ATOM 1274 CB SER A 83 -10.670 3.040 4.813 1.00 0.85 C ATOM 1275 OG SER A 83 -11.060 1.705 4.538 1.00 0.78 O ATOM 0 H SER A 83 -9.871 1.729 6.732 1.00 0.82 H new ATOM 0 HA SER A 83 -10.556 4.386 6.496 1.00 0.90 H new ATOM 0 HB2 SER A 83 -11.172 3.718 4.123 1.00 0.85 H new ATOM 0 HB3 SER A 83 -9.599 3.151 4.646 1.00 0.85 H new ATOM 0 HG SER A 83 -10.481 1.087 5.031 1.00 0.78 H new ATOM 1281 N GLY A 84 -13.246 2.499 6.065 1.00 1.06 N ATOM 1282 CA GLY A 84 -14.690 2.504 6.157 1.00 1.18 C ATOM 1283 C GLY A 84 -15.346 2.607 4.794 1.00 1.22 C ATOM 1284 O GLY A 84 -15.393 3.689 4.206 1.00 1.29 O ATOM 0 H GLY A 84 -12.846 1.622 5.733 1.00 1.06 H new ATOM 0 HA2 GLY A 84 -15.025 1.593 6.652 1.00 1.18 H new ATOM 0 HA3 GLY A 84 -15.011 3.341 6.778 1.00 1.18 H new ATOM 1288 N ASN A 85 -15.816 1.463 4.284 1.00 1.19 N ATOM 1289 CA ASN A 85 -16.493 1.367 2.977 1.00 1.25 C ATOM 1290 C ASN A 85 -15.520 1.528 1.803 1.00 1.19 C ATOM 1291 O ASN A 85 -15.630 0.817 0.806 1.00 1.19 O ATOM 1292 CB ASN A 85 -17.665 2.362 2.889 1.00 1.40 C ATOM 1293 CG ASN A 85 -17.907 2.910 1.492 1.00 1.45 C ATOM 1294 OD1 ASN A 85 -17.501 4.025 1.178 1.00 1.48 O ATOM 1295 ND2 ASN A 85 -18.580 2.140 0.647 1.00 1.50 N ATOM 0 H ASN A 85 -15.739 0.568 4.767 1.00 1.19 H new ATOM 0 HA ASN A 85 -16.903 0.360 2.899 1.00 1.25 H new ATOM 0 HB2 ASN A 85 -18.573 1.870 3.237 1.00 1.40 H new ATOM 0 HB3 ASN A 85 -17.473 3.194 3.566 1.00 1.40 H new ATOM 0 HD21 ASN A 85 -18.775 2.469 -0.298 1.00 1.50 H new ATOM 0 HD22 ASN A 85 -18.902 1.218 0.943 1.00 1.50 H new ATOM 1302 N LYS A 86 -14.583 2.451 1.919 1.00 1.14 N ATOM 1303 CA LYS A 86 -13.592 2.671 0.897 1.00 1.10 C ATOM 1304 C LYS A 86 -12.372 3.281 1.513 1.00 1.02 C ATOM 1305 O LYS A 86 -12.441 3.917 2.564 1.00 1.04 O ATOM 1306 CB LYS A 86 -14.097 3.568 -0.207 1.00 1.19 C ATOM 1307 CG LYS A 86 -14.584 4.901 0.283 1.00 1.28 C ATOM 1308 CD LYS A 86 -15.584 5.503 -0.675 1.00 1.38 C ATOM 1309 CE LYS A 86 -15.824 6.972 -0.384 1.00 1.44 C ATOM 1310 NZ LYS A 86 -16.844 7.552 -1.292 1.00 1.58 N ATOM 0 H LYS A 86 -14.493 3.067 2.727 1.00 1.14 H new ATOM 0 HA LYS A 86 -13.356 1.704 0.453 1.00 1.10 H new ATOM 0 HB2 LYS A 86 -13.298 3.725 -0.931 1.00 1.19 H new ATOM 0 HB3 LYS A 86 -14.908 3.064 -0.732 1.00 1.19 H new ATOM 0 HG2 LYS A 86 -15.042 4.785 1.265 1.00 1.28 H new ATOM 0 HG3 LYS A 86 -13.738 5.578 0.403 1.00 1.28 H new ATOM 0 HD2 LYS A 86 -15.223 5.389 -1.697 1.00 1.38 H new ATOM 0 HD3 LYS A 86 -16.526 4.960 -0.607 1.00 1.38 H new ATOM 0 HE2 LYS A 86 -16.148 7.090 0.650 1.00 1.44 H new ATOM 0 HE3 LYS A 86 -14.889 7.521 -0.489 1.00 1.44 H new ATOM 0 HZ1 LYS A 86 -16.981 8.557 -1.063 1.00 1.58 H new ATOM 0 HZ2 LYS A 86 -16.523 7.462 -2.277 1.00 1.58 H new ATOM 0 HZ3 LYS A 86 -17.744 7.044 -1.173 1.00 1.58 H new ATOM 1324 N VAL A 87 -11.276 3.112 0.837 1.00 0.95 N ATOM 1325 CA VAL A 87 -10.010 3.616 1.317 1.00 0.87 C ATOM 1326 C VAL A 87 -9.252 4.345 0.220 1.00 0.88 C ATOM 1327 O VAL A 87 -9.114 3.846 -0.896 1.00 0.91 O ATOM 1328 CB VAL A 87 -9.164 2.457 1.881 1.00 0.76 C ATOM 1329 CG1 VAL A 87 -9.059 1.332 0.868 1.00 0.75 C ATOM 1330 CG2 VAL A 87 -7.781 2.932 2.305 1.00 0.68 C ATOM 0 H VAL A 87 -11.226 2.625 -0.058 1.00 0.95 H new ATOM 0 HA VAL A 87 -10.208 4.334 2.113 1.00 0.87 H new ATOM 0 HB VAL A 87 -9.669 2.078 2.769 1.00 0.76 H new ATOM 0 HG11 VAL A 87 -8.458 0.523 1.284 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -10.056 0.960 0.633 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -8.587 1.704 -0.041 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -7.212 2.090 2.698 1.00 0.68 H new ATOM 0 HG22 VAL A 87 -7.261 3.352 1.444 1.00 0.68 H new ATOM 0 HG23 VAL A 87 -7.879 3.695 3.077 1.00 0.68 H new ATOM 1340 N ALA A 88 -8.790 5.540 0.536 1.00 0.87 N ATOM 1341 CA ALA A 88 -8.031 6.330 -0.409 1.00 0.89 C ATOM 1342 C ALA A 88 -6.561 6.006 -0.261 1.00 0.80 C ATOM 1343 O ALA A 88 -5.951 6.283 0.768 1.00 0.76 O ATOM 1344 CB ALA A 88 -8.274 7.812 -0.206 1.00 0.96 C ATOM 0 H ALA A 88 -8.929 5.984 1.444 1.00 0.87 H new ATOM 0 HA ALA A 88 -8.358 6.082 -1.419 1.00 0.89 H new ATOM 0 HB1 ALA A 88 -7.690 8.379 -0.931 1.00 0.96 H new ATOM 0 HB2 ALA A 88 -9.333 8.029 -0.344 1.00 0.96 H new ATOM 0 HB3 ALA A 88 -7.974 8.095 0.803 1.00 0.96 H new ATOM 1350 N ILE A 89 -5.998 5.409 -1.280 1.00 0.79 N ATOM 1351 CA ILE A 89 -4.604 5.017 -1.246 1.00 0.72 C ATOM 1352 C ILE A 89 -3.761 5.871 -2.181 1.00 0.78 C ATOM 1353 O ILE A 89 -3.865 5.757 -3.399 1.00 0.86 O ATOM 1354 CB ILE A 89 -4.441 3.532 -1.618 1.00 0.70 C ATOM 1355 CG1 ILE A 89 -5.402 2.666 -0.788 1.00 0.66 C ATOM 1356 CG2 ILE A 89 -3.007 3.102 -1.425 1.00 0.67 C ATOM 1357 CD1 ILE A 89 -4.819 1.362 -0.274 1.00 0.60 C ATOM 0 H ILE A 89 -6.482 5.181 -2.149 1.00 0.79 H new ATOM 0 HA ILE A 89 -4.253 5.171 -0.225 1.00 0.72 H new ATOM 0 HB ILE A 89 -4.694 3.398 -2.670 1.00 0.70 H new ATOM 0 HG12 ILE A 89 -5.748 3.251 0.064 1.00 0.66 H new ATOM 0 HG13 ILE A 89 -6.278 2.439 -1.396 1.00 0.66 H new ATOM 0 HG21 ILE A 89 -2.904 2.050 -1.691 1.00 0.67 H new ATOM 0 HG22 ILE A 89 -2.358 3.703 -2.062 1.00 0.67 H new ATOM 0 HG23 ILE A 89 -2.722 3.242 -0.382 1.00 0.67 H new ATOM 0 HD11 ILE A 89 -5.576 0.826 0.299 1.00 0.60 H new ATOM 0 HD12 ILE A 89 -4.500 0.749 -1.117 1.00 0.60 H new ATOM 0 HD13 ILE A 89 -3.962 1.574 0.366 1.00 0.60 H new ATOM 1369 N SER A 90 -2.924 6.721 -1.611 1.00 0.75 N ATOM 1370 CA SER A 90 -2.061 7.583 -2.399 1.00 0.81 C ATOM 1371 C SER A 90 -0.887 6.780 -2.937 1.00 0.82 C ATOM 1372 O SER A 90 -0.010 6.357 -2.178 1.00 0.77 O ATOM 1373 CB SER A 90 -1.569 8.749 -1.545 1.00 0.79 C ATOM 1374 OG SER A 90 -2.659 9.484 -1.012 1.00 0.82 O ATOM 0 H SER A 90 -2.824 6.832 -0.602 1.00 0.75 H new ATOM 0 HA SER A 90 -2.624 7.986 -3.241 1.00 0.81 H new ATOM 0 HB2 SER A 90 -0.948 8.373 -0.732 1.00 0.79 H new ATOM 0 HB3 SER A 90 -0.942 9.407 -2.147 1.00 0.79 H new ATOM 0 HG SER A 90 -2.353 10.377 -0.748 1.00 0.82 H new ATOM 1380 N THR A 91 -0.886 6.553 -4.241 1.00 0.91 N ATOM 1381 CA THR A 91 0.159 5.782 -4.874 1.00 0.95 C ATOM 1382 C THR A 91 1.144 6.666 -5.629 1.00 1.04 C ATOM 1383 O THR A 91 0.908 7.856 -5.839 1.00 1.09 O ATOM 1384 CB THR A 91 -0.436 4.753 -5.852 1.00 1.02 C ATOM 1385 OG1 THR A 91 -1.517 5.341 -6.587 1.00 1.06 O ATOM 1386 CG2 THR A 91 -0.940 3.521 -5.118 1.00 0.97 C ATOM 0 H THR A 91 -1.603 6.896 -4.880 1.00 0.91 H new ATOM 0 HA THR A 91 0.694 5.268 -4.075 1.00 0.95 H new ATOM 0 HB THR A 91 0.355 4.449 -6.537 1.00 1.02 H new ATOM 0 HG1 THR A 91 -1.888 4.680 -7.208 1.00 1.06 H new ATOM 0 HG21 THR A 91 -1.354 2.814 -5.836 1.00 0.97 H new ATOM 0 HG22 THR A 91 -0.114 3.053 -4.583 1.00 0.97 H new ATOM 0 HG23 THR A 91 -1.714 3.812 -4.408 1.00 0.97 H new ATOM 1394 N THR A 92 2.250 6.058 -6.018 1.00 1.10 N ATOM 1395 CA THR A 92 3.305 6.727 -6.751 1.00 1.19 C ATOM 1396 C THR A 92 4.277 5.658 -7.257 1.00 1.24 C ATOM 1397 O THR A 92 4.397 4.605 -6.634 1.00 1.20 O ATOM 1398 CB THR A 92 4.031 7.768 -5.857 1.00 1.16 C ATOM 1399 OG1 THR A 92 5.152 8.337 -6.544 1.00 1.24 O ATOM 1400 CG2 THR A 92 4.495 7.141 -4.547 1.00 1.08 C ATOM 0 H THR A 92 2.441 5.074 -5.831 1.00 1.10 H new ATOM 0 HA THR A 92 2.885 7.276 -7.594 1.00 1.19 H new ATOM 0 HB THR A 92 3.316 8.559 -5.630 1.00 1.16 H new ATOM 0 HG1 THR A 92 5.594 8.991 -5.963 1.00 1.24 H new ATOM 0 HG21 THR A 92 5.000 7.894 -3.942 1.00 1.08 H new ATOM 0 HG22 THR A 92 3.633 6.756 -4.002 1.00 1.08 H new ATOM 0 HG23 THR A 92 5.185 6.324 -4.759 1.00 1.08 H new ATOM 1408 N PRO A 93 4.930 5.872 -8.415 1.00 1.35 N ATOM 1409 CA PRO A 93 5.875 4.901 -8.984 1.00 1.42 C ATOM 1410 C PRO A 93 6.952 4.446 -8.006 1.00 1.38 C ATOM 1411 O PRO A 93 7.417 5.210 -7.155 1.00 1.33 O ATOM 1412 CB PRO A 93 6.533 5.665 -10.126 1.00 1.52 C ATOM 1413 CG PRO A 93 5.531 6.691 -10.525 1.00 1.52 C ATOM 1414 CD PRO A 93 4.787 7.062 -9.271 1.00 1.42 C ATOM 0 HA PRO A 93 5.353 3.991 -9.278 1.00 1.42 H new ATOM 0 HB2 PRO A 93 7.467 6.128 -9.806 1.00 1.52 H new ATOM 0 HB3 PRO A 93 6.774 5.003 -10.958 1.00 1.52 H new ATOM 0 HG2 PRO A 93 6.019 7.563 -10.960 1.00 1.52 H new ATOM 0 HG3 PRO A 93 4.850 6.297 -11.279 1.00 1.52 H new ATOM 0 HD2 PRO A 93 5.213 7.948 -8.800 1.00 1.42 H new ATOM 0 HD3 PRO A 93 3.740 7.283 -9.477 1.00 1.42 H new ATOM 1422 N LEU A 94 7.362 3.204 -8.168 1.00 1.42 N ATOM 1423 CA LEU A 94 8.398 2.621 -7.334 1.00 1.41 C ATOM 1424 C LEU A 94 9.676 2.514 -8.146 1.00 1.50 C ATOM 1425 O LEU A 94 10.009 1.462 -8.697 1.00 1.53 O ATOM 1426 CB LEU A 94 7.974 1.247 -6.795 1.00 1.39 C ATOM 1427 CG LEU A 94 9.095 0.394 -6.179 1.00 1.43 C ATOM 1428 CD1 LEU A 94 9.719 1.085 -4.974 1.00 1.38 C ATOM 1429 CD2 LEU A 94 8.559 -0.972 -5.787 1.00 1.46 C ATOM 0 H LEU A 94 6.990 2.572 -8.877 1.00 1.42 H new ATOM 0 HA LEU A 94 8.566 3.264 -6.470 1.00 1.41 H new ATOM 0 HB2 LEU A 94 7.201 1.396 -6.041 1.00 1.39 H new ATOM 0 HB3 LEU A 94 7.520 0.683 -7.610 1.00 1.39 H new ATOM 0 HG LEU A 94 9.874 0.267 -6.931 1.00 1.43 H new ATOM 0 HD11 LEU A 94 10.508 0.456 -4.562 1.00 1.38 H new ATOM 0 HD12 LEU A 94 10.141 2.042 -5.281 1.00 1.38 H new ATOM 0 HD13 LEU A 94 8.955 1.253 -4.215 1.00 1.38 H new ATOM 0 HD21 LEU A 94 9.362 -1.567 -5.352 1.00 1.46 H new ATOM 0 HD22 LEU A 94 7.759 -0.853 -5.056 1.00 1.46 H new ATOM 0 HD23 LEU A 94 8.171 -1.478 -6.671 1.00 1.46 H new ATOM 1441 N GLU A 95 10.365 3.630 -8.257 1.00 1.54 N ATOM 1442 CA GLU A 95 11.603 3.683 -9.000 1.00 1.63 C ATOM 1443 C GLU A 95 12.767 3.802 -8.038 1.00 1.62 C ATOM 1444 O GLU A 95 12.863 4.765 -7.278 1.00 1.54 O ATOM 1445 CB GLU A 95 11.602 4.867 -9.954 1.00 1.61 C ATOM 1446 CG GLU A 95 10.300 5.038 -10.727 1.00 1.66 C ATOM 1447 CD GLU A 95 10.331 4.318 -12.055 1.00 1.76 C ATOM 1448 OE1 GLU A 95 10.007 3.114 -12.093 1.00 1.89 O ATOM 1449 OE2 GLU A 95 10.687 4.957 -13.067 1.00 1.92 O ATOM 0 H GLU A 95 10.085 4.517 -7.839 1.00 1.54 H new ATOM 0 HA GLU A 95 11.702 2.767 -9.583 1.00 1.63 H new ATOM 0 HB2 GLU A 95 11.799 5.777 -9.388 1.00 1.61 H new ATOM 0 HB3 GLU A 95 12.421 4.750 -10.663 1.00 1.61 H new ATOM 0 HG2 GLU A 95 9.471 4.660 -10.129 1.00 1.66 H new ATOM 0 HG3 GLU A 95 10.114 6.099 -10.894 1.00 1.66 H new ATOM 1456 N ASN A 96 13.636 2.824 -8.083 1.00 1.75 N ATOM 1457 CA ASN A 96 14.797 2.783 -7.210 1.00 1.79 C ATOM 1458 C ASN A 96 16.060 2.563 -8.027 1.00 1.95 C ATOM 1459 O ASN A 96 17.011 3.353 -7.883 1.00 2.00 O ATOM 1460 CB ASN A 96 14.642 1.665 -6.178 1.00 1.81 C ATOM 1461 CG ASN A 96 15.706 1.714 -5.098 1.00 1.91 C ATOM 1462 OD1 ASN A 96 15.999 2.775 -4.543 1.00 1.90 O ATOM 1463 ND2 ASN A 96 16.291 0.569 -4.795 1.00 2.16 N ATOM 1464 OXT ASN A 96 16.083 1.605 -8.827 1.00 2.10 O ATOM 0 H ASN A 96 13.565 2.032 -8.722 1.00 1.75 H new ATOM 0 HA ASN A 96 14.875 3.737 -6.688 1.00 1.79 H new ATOM 0 HB2 ASN A 96 13.657 1.737 -5.716 1.00 1.81 H new ATOM 0 HB3 ASN A 96 14.687 0.700 -6.684 1.00 1.81 H new ATOM 0 HD21 ASN A 96 17.015 0.541 -4.077 1.00 2.16 H new ATOM 0 HD22 ASN A 96 16.019 -0.287 -5.279 1.00 2.16 H new TER 1471 ASN A 96 ATOM 1472 N PRO B 97 5.769 -1.431 -12.480 1.00 5.31 N ATOM 1473 CA PRO B 97 7.137 -1.995 -12.446 1.00 4.47 C ATOM 1474 C PRO B 97 7.772 -1.763 -11.082 1.00 3.48 C ATOM 1475 O PRO B 97 7.602 -0.698 -10.487 1.00 3.61 O ATOM 1476 CB PRO B 97 7.965 -1.344 -13.541 1.00 4.90 C ATOM 1477 CG PRO B 97 6.943 -0.701 -14.405 1.00 5.81 C ATOM 1478 CD PRO B 97 5.780 -0.363 -13.499 1.00 6.03 C ATOM 0 HA PRO B 97 7.095 -3.071 -12.616 1.00 4.47 H new ATOM 0 HB2 PRO B 97 8.666 -0.614 -13.135 1.00 4.90 H new ATOM 0 HB3 PRO B 97 8.553 -2.079 -14.092 1.00 4.90 H new ATOM 0 HG2 PRO B 97 7.342 0.196 -14.878 1.00 5.81 H new ATOM 0 HG3 PRO B 97 6.631 -1.372 -15.205 1.00 5.81 H new ATOM 0 HD2 PRO B 97 5.908 0.618 -13.042 1.00 6.03 H new ATOM 0 HD3 PRO B 97 4.842 -0.336 -14.054 1.00 6.03 H new ATOM 1488 N PHE B 98 8.494 -2.759 -10.588 1.00 2.95 N ATOM 1489 CA PHE B 98 9.142 -2.659 -9.287 1.00 2.19 C ATOM 1490 C PHE B 98 10.649 -2.830 -9.432 1.00 2.34 C ATOM 1491 O PHE B 98 11.137 -3.158 -10.511 1.00 3.29 O ATOM 1492 CB PHE B 98 8.569 -3.706 -8.317 1.00 2.00 C ATOM 1493 CG PHE B 98 9.010 -5.122 -8.588 1.00 1.87 C ATOM 1494 CD1 PHE B 98 8.507 -5.821 -9.673 1.00 2.36 C ATOM 1495 CD2 PHE B 98 9.934 -5.747 -7.766 1.00 2.19 C ATOM 1496 CE1 PHE B 98 8.914 -7.115 -9.933 1.00 3.10 C ATOM 1497 CE2 PHE B 98 10.343 -7.043 -8.018 1.00 2.98 C ATOM 1498 CZ PHE B 98 9.815 -7.740 -9.070 1.00 3.41 C ATOM 0 H PHE B 98 8.646 -3.646 -11.068 1.00 2.95 H new ATOM 0 HA PHE B 98 8.945 -1.669 -8.876 1.00 2.19 H new ATOM 0 HB2 PHE B 98 8.859 -3.438 -7.301 1.00 2.00 H new ATOM 0 HB3 PHE B 98 7.481 -3.664 -8.360 1.00 2.00 H new ATOM 0 HD1 PHE B 98 7.787 -5.348 -10.324 1.00 2.36 H new ATOM 0 HD2 PHE B 98 10.340 -5.215 -6.918 1.00 2.19 H new ATOM 0 HE1 PHE B 98 8.537 -7.640 -10.799 1.00 3.10 H new ATOM 0 HE2 PHE B 98 11.082 -7.507 -7.382 1.00 2.98 H new ATOM 0 HZ PHE B 98 10.095 -8.771 -9.232 1.00 3.41 H new ATOM 1508 N ASP B 99 11.382 -2.601 -8.350 1.00 2.17 N ATOM 1509 CA ASP B 99 12.835 -2.735 -8.372 1.00 3.06 C ATOM 1510 C ASP B 99 13.248 -4.138 -7.935 1.00 2.89 C ATOM 1511 O ASP B 99 13.563 -4.988 -8.768 1.00 3.22 O ATOM 1512 CB ASP B 99 13.486 -1.680 -7.470 1.00 3.92 C ATOM 1513 CG ASP B 99 14.993 -1.832 -7.377 1.00 4.49 C ATOM 1514 OD1 ASP B 99 15.625 -2.260 -8.366 1.00 5.16 O ATOM 1515 OD2 ASP B 99 15.557 -1.519 -6.310 1.00 4.56 O ATOM 0 H ASP B 99 10.997 -2.322 -7.448 1.00 2.17 H new ATOM 0 HA ASP B 99 13.180 -2.575 -9.394 1.00 3.06 H new ATOM 0 HB2 ASP B 99 13.249 -0.687 -7.851 1.00 3.92 H new ATOM 0 HB3 ASP B 99 13.056 -1.749 -6.471 1.00 3.92 H new ATOM 1520 N GLU B 100 13.230 -4.385 -6.633 1.00 2.79 N ATOM 1521 CA GLU B 100 13.600 -5.688 -6.100 1.00 2.70 C ATOM 1522 C GLU B 100 12.570 -6.167 -5.087 1.00 2.21 C ATOM 1523 O GLU B 100 11.809 -5.371 -4.534 1.00 2.92 O ATOM 1524 CB GLU B 100 14.993 -5.637 -5.464 1.00 3.56 C ATOM 1525 CG GLU B 100 15.189 -4.475 -4.505 1.00 4.43 C ATOM 1526 CD GLU B 100 16.502 -4.558 -3.754 1.00 4.76 C ATOM 1527 OE1 GLU B 100 17.531 -4.103 -4.294 1.00 5.22 O ATOM 1528 OE2 GLU B 100 16.515 -5.073 -2.618 1.00 4.88 O ATOM 0 H GLU B 100 12.963 -3.700 -5.926 1.00 2.79 H new ATOM 0 HA GLU B 100 13.625 -6.398 -6.927 1.00 2.70 H new ATOM 0 HB2 GLU B 100 15.172 -6.570 -4.930 1.00 3.56 H new ATOM 0 HB3 GLU B 100 15.741 -5.573 -6.255 1.00 3.56 H new ATOM 0 HG2 GLU B 100 15.151 -3.538 -5.061 1.00 4.43 H new ATOM 0 HG3 GLU B 100 14.366 -4.455 -3.791 1.00 4.43 H new ATOM 1535 N ASP B 101 12.549 -7.471 -4.858 1.00 1.79 N ATOM 1536 CA ASP B 101 11.613 -8.079 -3.921 1.00 2.23 C ATOM 1537 C ASP B 101 12.358 -8.936 -2.905 1.00 2.11 C ATOM 1538 O ASP B 101 13.142 -9.813 -3.272 1.00 2.78 O ATOM 1539 CB ASP B 101 10.584 -8.920 -4.686 1.00 3.00 C ATOM 1540 CG ASP B 101 9.987 -10.046 -3.861 1.00 3.72 C ATOM 1541 OD1 ASP B 101 9.390 -9.771 -2.798 1.00 4.23 O ATOM 1542 OD2 ASP B 101 10.105 -11.219 -4.280 1.00 4.18 O ATOM 0 H ASP B 101 13.176 -8.135 -5.313 1.00 1.79 H new ATOM 0 HA ASP B 101 11.090 -7.290 -3.381 1.00 2.23 H new ATOM 0 HB2 ASP B 101 9.781 -8.270 -5.033 1.00 3.00 H new ATOM 0 HB3 ASP B 101 11.058 -9.342 -5.572 1.00 3.00 H new ATOM 1547 N GLN B 102 12.136 -8.653 -1.630 1.00 1.73 N ATOM 1548 CA GLN B 102 12.774 -9.397 -0.553 1.00 1.74 C ATOM 1549 C GLN B 102 11.708 -10.011 0.343 1.00 1.55 C ATOM 1550 O GLN B 102 10.522 -9.694 0.218 1.00 2.15 O ATOM 1551 CB GLN B 102 13.689 -8.495 0.289 1.00 2.18 C ATOM 1552 CG GLN B 102 14.409 -7.407 -0.495 1.00 2.55 C ATOM 1553 CD GLN B 102 13.530 -6.201 -0.746 1.00 3.18 C ATOM 1554 OE1 GLN B 102 12.418 -6.115 -0.228 1.00 3.61 O ATOM 1555 NE2 GLN B 102 14.023 -5.259 -1.524 1.00 3.81 N ATOM 0 H GLN B 102 11.515 -7.908 -1.314 1.00 1.73 H new ATOM 0 HA GLN B 102 13.386 -10.180 -1.001 1.00 1.74 H new ATOM 0 HB2 GLN B 102 13.093 -8.025 1.071 1.00 2.18 H new ATOM 0 HB3 GLN B 102 14.433 -9.118 0.786 1.00 2.18 H new ATOM 0 HG2 GLN B 102 15.299 -7.097 0.052 1.00 2.55 H new ATOM 0 HG3 GLN B 102 14.746 -7.813 -1.449 1.00 2.55 H new ATOM 0 HE21 GLN B 102 14.950 -5.370 -1.934 1.00 3.81 H new ATOM 0 HE22 GLN B 102 13.477 -4.419 -1.716 1.00 3.81 H new ATOM 1564 N HIS B 103 12.118 -10.888 1.243 1.00 1.29 N ATOM 1565 CA HIS B 103 11.179 -11.530 2.147 1.00 1.54 C ATOM 1566 C HIS B 103 11.088 -10.753 3.452 1.00 1.27 C ATOM 1567 O HIS B 103 12.017 -10.759 4.261 1.00 1.88 O ATOM 1568 CB HIS B 103 11.595 -12.978 2.419 1.00 2.46 C ATOM 1569 CG HIS B 103 10.456 -13.856 2.842 1.00 3.16 C ATOM 1570 ND1 HIS B 103 10.049 -13.929 4.152 1.00 3.79 N ATOM 1571 CD2 HIS B 103 9.678 -14.672 2.091 1.00 3.79 C ATOM 1572 CE1 HIS B 103 9.038 -14.781 4.169 1.00 4.60 C ATOM 1573 NE2 HIS B 103 8.778 -15.258 2.943 1.00 4.61 N ATOM 0 H HIS B 103 13.090 -11.171 1.367 1.00 1.29 H new ATOM 0 HA HIS B 103 10.197 -11.538 1.674 1.00 1.54 H new ATOM 0 HB2 HIS B 103 12.049 -13.393 1.519 1.00 2.46 H new ATOM 0 HB3 HIS B 103 12.360 -12.989 3.196 1.00 2.46 H new ATOM 0 HD2 HIS B 103 9.753 -14.831 1.025 1.00 3.79 H new ATOM 0 HE1 HIS B 103 8.491 -15.058 5.058 1.00 4.60 H new ATOM 0 HE2 HIS B 103 8.051 -15.928 2.693 1.00 4.61 H new ATOM 1581 N THR B 104 9.973 -10.072 3.637 1.00 1.15 N ATOM 1582 CA THR B 104 9.750 -9.294 4.841 1.00 1.67 C ATOM 1583 C THR B 104 8.341 -9.543 5.364 1.00 1.52 C ATOM 1584 O THR B 104 8.145 -10.356 6.265 1.00 1.82 O ATOM 1585 CB THR B 104 9.959 -7.787 4.591 1.00 2.34 C ATOM 1586 OG1 THR B 104 10.805 -7.586 3.449 1.00 2.54 O ATOM 1587 CG2 THR B 104 10.578 -7.113 5.807 1.00 3.10 C ATOM 0 H THR B 104 9.205 -10.042 2.966 1.00 1.15 H new ATOM 0 HA THR B 104 10.479 -9.613 5.586 1.00 1.67 H new ATOM 0 HB THR B 104 8.983 -7.340 4.403 1.00 2.34 H new ATOM 0 HG1 THR B 104 10.252 -7.403 2.661 1.00 2.54 H new ATOM 0 HG21 THR B 104 10.715 -6.051 5.604 1.00 3.10 H new ATOM 0 HG22 THR B 104 9.919 -7.236 6.666 1.00 3.10 H new ATOM 0 HG23 THR B 104 11.544 -7.568 6.023 1.00 3.10 H new ATOM 1595 N GLN B 105 7.356 -8.861 4.784 1.00 1.14 N ATOM 1596 CA GLN B 105 5.971 -9.038 5.202 1.00 1.00 C ATOM 1597 C GLN B 105 5.036 -9.121 4.000 1.00 0.95 C ATOM 1598 O GLN B 105 5.327 -8.586 2.927 1.00 1.01 O ATOM 1599 CB GLN B 105 5.525 -7.900 6.124 1.00 0.86 C ATOM 1600 CG GLN B 105 5.897 -8.109 7.583 1.00 1.15 C ATOM 1601 CD GLN B 105 7.148 -7.356 7.983 1.00 1.77 C ATOM 1602 OE1 GLN B 105 7.443 -6.289 7.449 1.00 2.49 O ATOM 1603 NE2 GLN B 105 7.886 -7.903 8.932 1.00 2.35 N ATOM 0 H GLN B 105 7.491 -8.187 4.030 1.00 1.14 H new ATOM 0 HA GLN B 105 5.918 -9.978 5.751 1.00 1.00 H new ATOM 0 HB2 GLN B 105 5.969 -6.968 5.776 1.00 0.86 H new ATOM 0 HB3 GLN B 105 4.444 -7.786 6.047 1.00 0.86 H new ATOM 0 HG2 GLN B 105 5.068 -7.788 8.214 1.00 1.15 H new ATOM 0 HG3 GLN B 105 6.045 -9.173 7.767 1.00 1.15 H new ATOM 0 HE21 GLN B 105 7.605 -8.790 9.349 1.00 2.35 H new ATOM 0 HE22 GLN B 105 8.737 -7.438 9.248 1.00 2.35 H new ATOM 1612 N ILE B 106 3.920 -9.805 4.195 1.00 0.89 N ATOM 1613 CA ILE B 106 2.906 -9.982 3.165 1.00 0.86 C ATOM 1614 C ILE B 106 1.568 -10.262 3.835 1.00 0.77 C ATOM 1615 O ILE B 106 1.456 -11.185 4.643 1.00 0.81 O ATOM 1616 CB ILE B 106 3.258 -11.135 2.192 1.00 1.01 C ATOM 1617 CG1 ILE B 106 2.015 -11.587 1.417 1.00 1.40 C ATOM 1618 CG2 ILE B 106 3.883 -12.306 2.940 1.00 1.68 C ATOM 1619 CD1 ILE B 106 2.263 -12.744 0.474 1.00 1.61 C ATOM 0 H ILE B 106 3.689 -10.257 5.080 1.00 0.89 H new ATOM 0 HA ILE B 106 2.855 -9.067 2.576 1.00 0.86 H new ATOM 0 HB ILE B 106 3.991 -10.763 1.476 1.00 1.01 H new ATOM 0 HG12 ILE B 106 1.240 -11.872 2.128 1.00 1.40 H new ATOM 0 HG13 ILE B 106 1.629 -10.743 0.846 1.00 1.40 H new ATOM 0 HG21 ILE B 106 4.121 -13.103 2.235 1.00 1.68 H new ATOM 0 HG22 ILE B 106 4.796 -11.976 3.436 1.00 1.68 H new ATOM 0 HG23 ILE B 106 3.180 -12.679 3.685 1.00 1.68 H new ATOM 0 HD11 ILE B 106 1.335 -13.003 -0.036 1.00 1.61 H new ATOM 0 HD12 ILE B 106 3.014 -12.459 -0.263 1.00 1.61 H new ATOM 0 HD13 ILE B 106 2.619 -13.605 1.040 1.00 1.61 H new ATOM 1631 N THR B 107 0.568 -9.450 3.538 1.00 0.68 N ATOM 1632 CA THR B 107 -0.745 -9.623 4.137 1.00 0.63 C ATOM 1633 C THR B 107 -1.842 -9.042 3.257 1.00 0.57 C ATOM 1634 O THR B 107 -1.684 -7.979 2.653 1.00 0.56 O ATOM 1635 CB THR B 107 -0.789 -8.974 5.545 1.00 0.64 C ATOM 1636 OG1 THR B 107 0.116 -9.654 6.427 1.00 0.80 O ATOM 1637 CG2 THR B 107 -2.191 -9.005 6.144 1.00 0.62 C ATOM 0 H THR B 107 0.639 -8.667 2.888 1.00 0.68 H new ATOM 0 HA THR B 107 -0.924 -10.694 4.233 1.00 0.63 H new ATOM 0 HB THR B 107 -0.492 -7.932 5.431 1.00 0.64 H new ATOM 0 HG1 THR B 107 0.581 -10.363 5.936 1.00 0.80 H new ATOM 0 HG21 THR B 107 -2.176 -8.540 7.130 1.00 0.62 H new ATOM 0 HG22 THR B 107 -2.876 -8.458 5.496 1.00 0.62 H new ATOM 0 HG23 THR B 107 -2.525 -10.039 6.235 1.00 0.62 H new ATOM 1645 N LYS B 108 -2.938 -9.779 3.161 1.00 0.65 N ATOM 1646 CA LYS B 108 -4.088 -9.350 2.392 1.00 0.68 C ATOM 1647 C LYS B 108 -4.774 -8.222 3.139 1.00 0.58 C ATOM 1648 O LYS B 108 -4.855 -8.256 4.368 1.00 0.68 O ATOM 1649 CB LYS B 108 -5.051 -10.520 2.196 1.00 0.91 C ATOM 1650 CG LYS B 108 -4.390 -11.753 1.602 1.00 1.20 C ATOM 1651 CD LYS B 108 -5.317 -12.955 1.636 1.00 1.70 C ATOM 1652 CE LYS B 108 -4.660 -14.170 1.003 1.00 2.51 C ATOM 1653 NZ LYS B 108 -5.647 -15.230 0.671 1.00 3.39 N ATOM 0 H LYS B 108 -3.052 -10.686 3.613 1.00 0.65 H new ATOM 0 HA LYS B 108 -3.771 -9.001 1.409 1.00 0.68 H new ATOM 0 HB2 LYS B 108 -5.494 -10.782 3.157 1.00 0.91 H new ATOM 0 HB3 LYS B 108 -5.866 -10.205 1.545 1.00 0.91 H new ATOM 0 HG2 LYS B 108 -4.096 -11.549 0.573 1.00 1.20 H new ATOM 0 HG3 LYS B 108 -3.478 -11.980 2.155 1.00 1.20 H new ATOM 0 HD2 LYS B 108 -5.588 -13.180 2.667 1.00 1.70 H new ATOM 0 HD3 LYS B 108 -6.241 -12.721 1.108 1.00 1.70 H new ATOM 0 HE2 LYS B 108 -4.136 -13.867 0.097 1.00 2.51 H new ATOM 0 HE3 LYS B 108 -3.911 -14.573 1.685 1.00 2.51 H new ATOM 0 HZ1 LYS B 108 -5.156 -16.040 0.242 1.00 3.39 H new ATOM 0 HZ2 LYS B 108 -6.130 -15.539 1.539 1.00 3.39 H new ATOM 0 HZ3 LYS B 108 -6.347 -14.854 -0.000 1.00 3.39 H new ATOM 1667 N VAL B 109 -5.255 -7.224 2.422 1.00 0.51 N ATOM 1668 CA VAL B 109 -5.900 -6.102 3.070 1.00 0.55 C ATOM 1669 C VAL B 109 -7.386 -6.386 3.308 1.00 0.76 C ATOM 1670 O VAL B 109 -7.726 -6.895 4.400 1.00 1.40 O ATOM 1671 CB VAL B 109 -5.698 -4.811 2.250 1.00 0.56 C ATOM 1672 CG1 VAL B 109 -4.247 -4.361 2.345 1.00 0.59 C ATOM 1673 CG2 VAL B 109 -6.079 -5.026 0.795 1.00 1.21 C ATOM 1674 OXT VAL B 109 -8.203 -6.125 2.409 1.00 1.18 O ATOM 0 H VAL B 109 -5.212 -7.168 1.404 1.00 0.51 H new ATOM 0 HA VAL B 109 -5.434 -5.956 4.045 1.00 0.55 H new ATOM 0 HB VAL B 109 -6.346 -4.037 2.662 1.00 0.56 H new ATOM 0 HG11 VAL B 109 -4.110 -3.449 1.764 1.00 0.59 H new ATOM 0 HG12 VAL B 109 -3.993 -4.169 3.387 1.00 0.59 H new ATOM 0 HG13 VAL B 109 -3.597 -5.143 1.952 1.00 0.59 H new ATOM 0 HG21 VAL B 109 -5.927 -4.101 0.239 1.00 1.21 H new ATOM 0 HG22 VAL B 109 -5.456 -5.812 0.368 1.00 1.21 H new ATOM 0 HG23 VAL B 109 -7.127 -5.319 0.733 1.00 1.21 H new TER 1684 VAL B 109