USER MOD reduce.3.24.130724 H: found=0, std=0, add=1339, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 SER OG : rot 180:sc= -0.191 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ 160:sc= -0.0394 (180deg=-0.444) USER MOD Single : A 7 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.2) USER MOD Single : A 15 MET CE :methyl 173:sc= -0.1 (180deg=-0.141) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -120:sc= -0.37 USER MOD Single : A 32 LYS NZ :NH3+ -118:sc=-0.00426 (180deg=-0.244) USER MOD Single : A 33 LYS NZ :NH3+ 140:sc= 0.431 (180deg=0.0111) USER MOD Single : A 41 LYS NZ :NH3+ -167:sc=-0.00492 (180deg=-0.249) USER MOD Single : A 43 TYR OH : rot 150:sc= -0.204 USER MOD Single : A 48 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.21) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= -1.65 (180deg=-1.97) USER MOD Single : A 66 THR OG1 : rot 64:sc= 0.898 USER MOD Single : A 67 CYS SG : rot -44:sc= 0.758 USER MOD Single : A 70 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.406! K(o=-0.41!,f=-1.6) USER MOD Single : A 74 SER OG : rot -55:sc= 0.0898 USER MOD Single : A 77 CYS SG : rot -15:sc= -0.608 USER MOD Single : A 80 CYS SG : rot -130:sc= -1.28 USER MOD Single : A 85 CYS SG : rot 80:sc= -0.0951 USER MOD Single : B 4 SER OG : rot 180:sc= -0.194 USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 6 LYS NZ :NH3+ 162:sc= -0.0327 (180deg=-0.451) USER MOD Single : B 7 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.2) USER MOD Single : B 15 MET CE :methyl 173:sc= -0.0972 (180deg=-0.137) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot 90:sc= -0.379 USER MOD Single : B 32 LYS NZ :NH3+ -118:sc=-0.00182 (180deg=-0.25) USER MOD Single : B 33 LYS NZ :NH3+ 140:sc= 0.435 (180deg=0.0118) USER MOD Single : B 41 LYS NZ :NH3+ -168:sc= -0.0161 (180deg=-0.218) USER MOD Single : B 43 TYR OH : rot 150:sc= -0.231 USER MOD Single : B 48 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 174:sc= -1.64 (180deg=-1.92) USER MOD Single : B 66 THR OG1 : rot 92:sc= 0.823 USER MOD Single : B 67 CYS SG : rot -33:sc= 0.623 USER MOD Single : B 70 ASN : amide:sc= -0.0516 K(o=-0.052,f=-2!) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 GLN : amide:sc= -0.464 K(o=-0.46,f=-1.6) USER MOD Single : B 74 SER OG : rot -56:sc= 0.114 USER MOD Single : B 77 CYS SG : rot -11:sc= -0.688 USER MOD Single : B 80 CYS SG : rot -130:sc= -1.33 USER MOD Single : B 85 CYS SG : rot 81:sc= -0.0907 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 121.565 -10.811 5.517 1.00 0.63 N ATOM 49 CA SER A 4 121.403 -11.871 4.481 1.00 0.61 C ATOM 50 C SER A 4 122.643 -12.768 4.476 1.00 0.60 C ATOM 51 O SER A 4 123.669 -12.446 5.041 1.00 0.57 O ATOM 52 CB SER A 4 121.242 -11.216 3.109 1.00 0.63 C ATOM 53 OG SER A 4 121.189 -12.224 2.110 1.00 1.51 O ATOM 0 HA SER A 4 120.521 -12.471 4.704 1.00 0.61 H new ATOM 0 HB2 SER A 4 120.333 -10.616 3.085 1.00 0.63 H new ATOM 0 HB3 SER A 4 122.075 -10.540 2.916 1.00 0.63 H new ATOM 0 HG SER A 4 121.084 -11.807 1.230 1.00 1.51 H new ATOM 59 N GLN A 5 122.532 -13.909 3.850 1.00 0.63 N ATOM 60 CA GLN A 5 123.669 -14.873 3.801 1.00 0.64 C ATOM 61 C GLN A 5 124.880 -14.218 3.136 1.00 0.60 C ATOM 62 O GLN A 5 126.012 -14.561 3.415 1.00 0.59 O ATOM 63 CB GLN A 5 123.241 -16.105 2.995 1.00 0.71 C ATOM 64 CG GLN A 5 124.381 -17.124 2.961 1.00 1.34 C ATOM 65 CD GLN A 5 123.927 -18.370 2.197 1.00 1.60 C ATOM 66 OE1 GLN A 5 122.749 -18.560 1.965 1.00 2.09 O ATOM 67 NE2 GLN A 5 124.818 -19.231 1.786 1.00 2.18 N ATOM 0 H GLN A 5 121.690 -14.218 3.364 1.00 0.63 H new ATOM 0 HA GLN A 5 123.941 -15.169 4.814 1.00 0.64 H new ATOM 0 HB2 GLN A 5 122.354 -16.553 3.442 1.00 0.71 H new ATOM 0 HB3 GLN A 5 122.973 -15.812 1.980 1.00 0.71 H new ATOM 0 HG2 GLN A 5 125.258 -16.689 2.481 1.00 1.34 H new ATOM 0 HG3 GLN A 5 124.673 -17.393 3.976 1.00 1.34 H new ATOM 0 HE21 GLN A 5 125.807 -19.073 1.980 1.00 2.18 H new ATOM 0 HE22 GLN A 5 124.525 -20.061 1.271 1.00 2.18 H new ATOM 76 N LYS A 6 124.655 -13.284 2.253 1.00 0.59 N ATOM 77 CA LYS A 6 125.790 -12.612 1.563 1.00 0.57 C ATOM 78 C LYS A 6 126.683 -11.926 2.600 1.00 0.51 C ATOM 79 O LYS A 6 127.890 -11.892 2.462 1.00 0.50 O ATOM 80 CB LYS A 6 125.229 -11.561 0.603 1.00 0.58 C ATOM 81 CG LYS A 6 124.476 -12.260 -0.531 1.00 0.65 C ATOM 82 CD LYS A 6 123.914 -11.212 -1.494 1.00 0.81 C ATOM 83 CE LYS A 6 123.161 -11.911 -2.627 1.00 1.26 C ATOM 84 NZ LYS A 6 121.969 -12.613 -2.072 1.00 2.02 N ATOM 0 H LYS A 6 123.729 -12.957 1.979 1.00 0.59 H new ATOM 0 HA LYS A 6 126.376 -13.347 1.011 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.560 -10.885 1.136 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.038 -10.954 0.197 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.145 -12.936 -1.063 1.00 0.65 H new ATOM 0 HG3 LYS A 6 123.667 -12.867 -0.124 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.245 -10.535 -0.962 1.00 0.81 H new ATOM 0 HD3 LYS A 6 124.723 -10.606 -1.901 1.00 0.81 H new ATOM 0 HE2 LYS A 6 122.851 -11.182 -3.376 1.00 1.26 H new ATOM 0 HE3 LYS A 6 123.816 -12.624 -3.128 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 121.286 -12.794 -2.835 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 122.264 -13.517 -1.650 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 121.524 -12.019 -1.343 1.00 2.02 H new ATOM 98 N HIS A 7 126.108 -11.370 3.630 1.00 0.49 N ATOM 99 CA HIS A 7 126.940 -10.680 4.655 1.00 0.45 C ATOM 100 C HIS A 7 127.943 -11.662 5.265 1.00 0.45 C ATOM 101 O HIS A 7 129.121 -11.382 5.355 1.00 0.43 O ATOM 102 CB HIS A 7 126.025 -10.117 5.755 1.00 0.45 C ATOM 103 CG HIS A 7 126.835 -9.726 6.969 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.167 -8.408 7.255 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.384 -10.478 7.980 1.00 0.45 C ATOM 106 CE1 HIS A 7 127.882 -8.409 8.399 1.00 0.38 C ATOM 107 NE2 HIS A 7 128.041 -9.644 8.875 1.00 0.42 N ATOM 0 H HIS A 7 125.103 -11.363 3.806 1.00 0.49 H new ATOM 0 HA HIS A 7 127.490 -9.865 4.185 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.484 -9.250 5.377 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.279 -10.862 6.033 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.315 -11.552 8.065 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.276 -7.521 8.870 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.541 -9.919 9.720 1.00 0.42 H new ATOM 115 N ARG A 8 127.484 -12.809 5.697 1.00 0.48 N ATOM 116 CA ARG A 8 128.400 -13.803 6.313 1.00 0.50 C ATOM 117 C ARG A 8 129.323 -14.393 5.252 1.00 0.51 C ATOM 118 O ARG A 8 130.467 -14.696 5.515 1.00 0.51 O ATOM 119 CB ARG A 8 127.577 -14.925 6.943 1.00 0.55 C ATOM 120 CG ARG A 8 126.831 -14.386 8.163 1.00 0.57 C ATOM 121 CD ARG A 8 126.020 -15.512 8.799 1.00 1.00 C ATOM 122 NE ARG A 8 125.248 -14.974 9.952 1.00 1.69 N ATOM 123 CZ ARG A 8 124.289 -15.682 10.481 1.00 2.27 C ATOM 124 NH1 ARG A 8 124.016 -16.865 10.005 1.00 2.42 N ATOM 125 NH2 ARG A 8 123.604 -15.206 11.484 1.00 3.21 N ATOM 0 H ARG A 8 126.507 -13.097 5.647 1.00 0.48 H new ATOM 0 HA ARG A 8 129.001 -13.309 7.076 1.00 0.50 H new ATOM 0 HB2 ARG A 8 126.868 -15.323 6.217 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.229 -15.748 7.236 1.00 0.55 H new ATOM 0 HG2 ARG A 8 127.539 -13.980 8.886 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.172 -13.569 7.869 1.00 0.57 H new ATOM 0 HD2 ARG A 8 125.342 -15.947 8.064 1.00 1.00 H new ATOM 0 HD3 ARG A 8 126.684 -16.310 9.132 1.00 1.00 H new ATOM 0 HE ARG A 8 125.469 -14.052 10.328 1.00 1.69 H new ATOM 0 HH11 ARG A 8 124.552 -17.235 9.220 1.00 2.42 H new ATOM 0 HH12 ARG A 8 123.266 -17.420 10.418 1.00 2.42 H new ATOM 0 HH21 ARG A 8 123.818 -14.280 11.854 1.00 3.21 H new ATOM 0 HH22 ARG A 8 122.854 -15.760 11.898 1.00 3.21 H new ATOM 139 N ASP A 9 128.840 -14.555 4.055 1.00 0.52 N ATOM 140 CA ASP A 9 129.703 -15.125 2.988 1.00 0.54 C ATOM 141 C ASP A 9 130.810 -14.136 2.649 1.00 0.49 C ATOM 142 O ASP A 9 131.937 -14.512 2.403 1.00 0.49 O ATOM 143 CB ASP A 9 128.884 -15.417 1.729 1.00 0.61 C ATOM 144 CG ASP A 9 127.949 -16.597 1.984 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.093 -17.231 3.016 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.120 -16.862 1.130 1.00 0.76 O ATOM 0 H ASP A 9 127.890 -14.319 3.770 1.00 0.52 H new ATOM 0 HA ASP A 9 130.134 -16.058 3.351 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.306 -14.537 1.448 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.549 -15.641 0.895 1.00 0.61 H new ATOM 151 N PHE A 10 130.497 -12.877 2.617 1.00 0.46 N ATOM 152 CA PHE A 10 131.536 -11.874 2.269 1.00 0.43 C ATOM 153 C PHE A 10 132.682 -11.954 3.287 1.00 0.38 C ATOM 154 O PHE A 10 133.842 -11.993 2.926 1.00 0.36 O ATOM 155 CB PHE A 10 130.907 -10.479 2.293 1.00 0.45 C ATOM 156 CG PHE A 10 131.860 -9.480 1.685 1.00 0.43 C ATOM 157 CD1 PHE A 10 131.881 -9.300 0.296 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.712 -8.729 2.501 1.00 0.43 C ATOM 159 CE1 PHE A 10 132.755 -8.371 -0.276 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.587 -7.799 1.929 1.00 0.43 C ATOM 161 CZ PHE A 10 133.609 -7.620 0.539 1.00 0.43 C ATOM 0 H PHE A 10 129.571 -12.498 2.816 1.00 0.46 H new ATOM 0 HA PHE A 10 131.933 -12.075 1.274 1.00 0.43 H new ATOM 0 HB2 PHE A 10 129.968 -10.484 1.739 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.671 -10.194 3.318 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.222 -9.879 -0.333 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.695 -8.867 3.572 1.00 0.43 H new ATOM 0 HE1 PHE A 10 132.771 -8.233 -1.347 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.246 -7.219 2.559 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.285 -6.903 0.097 1.00 0.43 H new ATOM 171 N VAL A 11 132.370 -11.983 4.556 1.00 0.37 N ATOM 172 CA VAL A 11 133.442 -12.065 5.597 1.00 0.35 C ATOM 173 C VAL A 11 133.874 -13.526 5.811 1.00 0.37 C ATOM 174 O VAL A 11 134.603 -13.830 6.734 1.00 0.38 O ATOM 175 CB VAL A 11 132.904 -11.505 6.918 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.348 -10.095 6.697 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.792 -12.418 7.441 1.00 0.40 C ATOM 0 H VAL A 11 131.417 -11.953 4.919 1.00 0.37 H new ATOM 0 HA VAL A 11 134.303 -11.486 5.263 1.00 0.35 H new ATOM 0 HB VAL A 11 133.713 -11.460 7.647 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.967 -9.702 7.640 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.141 -9.445 6.327 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.540 -10.133 5.967 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.408 -12.022 8.381 1.00 0.40 H new ATOM 0 HG22 VAL A 11 130.985 -12.464 6.710 1.00 0.40 H new ATOM 0 HG23 VAL A 11 132.190 -13.419 7.605 1.00 0.40 H new ATOM 187 N ALA A 12 133.441 -14.431 4.965 1.00 0.41 N ATOM 188 CA ALA A 12 133.841 -15.873 5.123 1.00 0.48 C ATOM 189 C ALA A 12 134.986 -16.230 4.171 1.00 0.46 C ATOM 190 O ALA A 12 135.682 -17.207 4.371 1.00 0.49 O ATOM 191 CB ALA A 12 132.651 -16.779 4.810 1.00 0.54 C ATOM 0 H ALA A 12 132.829 -14.237 4.172 1.00 0.41 H new ATOM 0 HA ALA A 12 134.169 -16.019 6.152 1.00 0.48 H new ATOM 0 HB1 ALA A 12 132.947 -17.822 4.926 1.00 0.54 H new ATOM 0 HB2 ALA A 12 131.833 -16.555 5.495 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.323 -16.607 3.785 1.00 0.54 H new ATOM 197 N GLU A 13 135.200 -15.454 3.144 1.00 0.43 N ATOM 198 CA GLU A 13 136.313 -15.761 2.195 1.00 0.43 C ATOM 199 C GLU A 13 136.711 -14.466 1.471 1.00 0.40 C ATOM 200 O GLU A 13 135.895 -13.580 1.317 1.00 0.37 O ATOM 201 CB GLU A 13 135.848 -16.844 1.196 1.00 0.46 C ATOM 202 CG GLU A 13 134.923 -16.257 0.120 1.00 0.48 C ATOM 203 CD GLU A 13 133.721 -15.587 0.781 1.00 0.61 C ATOM 204 OE1 GLU A 13 132.814 -16.302 1.172 1.00 1.26 O ATOM 205 OE2 GLU A 13 133.723 -14.371 0.878 1.00 1.05 O ATOM 0 H GLU A 13 134.655 -14.622 2.919 1.00 0.43 H new ATOM 0 HA GLU A 13 137.182 -16.145 2.729 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.717 -17.300 0.721 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.326 -17.636 1.733 1.00 0.46 H new ATOM 0 HG2 GLU A 13 135.468 -15.532 -0.485 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.587 -17.046 -0.553 1.00 0.48 H new ATOM 212 N PRO A 14 137.943 -14.342 1.024 1.00 0.42 N ATOM 213 CA PRO A 14 138.403 -13.121 0.304 1.00 0.40 C ATOM 214 C PRO A 14 137.304 -12.540 -0.596 1.00 0.36 C ATOM 215 O PRO A 14 136.446 -13.253 -1.079 1.00 0.36 O ATOM 216 CB PRO A 14 139.581 -13.639 -0.518 1.00 0.45 C ATOM 217 CG PRO A 14 140.188 -14.713 0.335 1.00 0.49 C ATOM 218 CD PRO A 14 139.033 -15.332 1.147 1.00 0.48 C ATOM 0 HA PRO A 14 138.668 -12.304 0.976 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.252 -14.034 -1.479 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.298 -12.846 -0.728 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.677 -15.468 -0.281 1.00 0.49 H new ATOM 0 HG3 PRO A 14 140.949 -14.299 0.997 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.739 -16.302 0.747 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.315 -15.488 2.188 1.00 0.48 H new ATOM 226 N MET A 15 137.305 -11.249 -0.806 1.00 0.35 N ATOM 227 CA MET A 15 136.240 -10.627 -1.653 1.00 0.35 C ATOM 228 C MET A 15 136.669 -10.605 -3.125 1.00 0.36 C ATOM 229 O MET A 15 135.848 -10.547 -4.015 1.00 0.39 O ATOM 230 CB MET A 15 135.963 -9.200 -1.163 1.00 0.37 C ATOM 231 CG MET A 15 137.249 -8.371 -1.194 1.00 0.41 C ATOM 232 SD MET A 15 137.066 -6.935 -0.102 1.00 0.57 S ATOM 233 CE MET A 15 136.468 -5.757 -1.339 1.00 0.43 C ATOM 0 H MET A 15 137.995 -10.599 -0.429 1.00 0.35 H new ATOM 0 HA MET A 15 135.330 -11.221 -1.569 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.205 -8.733 -1.792 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.564 -9.227 -0.149 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.095 -8.980 -0.874 1.00 0.41 H new ATOM 0 HG3 MET A 15 137.459 -8.043 -2.212 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.173 -4.831 -0.846 1.00 0.43 H new ATOM 0 HE2 MET A 15 137.261 -5.549 -2.057 1.00 0.43 H new ATOM 0 HE3 MET A 15 135.609 -6.181 -1.860 1.00 0.43 H new ATOM 243 N GLY A 16 137.946 -10.662 -3.390 1.00 0.37 N ATOM 244 CA GLY A 16 138.418 -10.661 -4.808 1.00 0.40 C ATOM 245 C GLY A 16 137.826 -9.470 -5.573 1.00 0.40 C ATOM 246 O GLY A 16 137.837 -8.351 -5.102 1.00 0.38 O ATOM 0 H GLY A 16 138.684 -10.709 -2.688 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.507 -10.612 -4.835 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.128 -11.593 -5.294 1.00 0.40 H new ATOM 250 N GLU A 17 137.336 -9.707 -6.768 1.00 0.41 N ATOM 251 CA GLU A 17 136.767 -8.601 -7.607 1.00 0.42 C ATOM 252 C GLU A 17 135.249 -8.741 -7.722 1.00 0.40 C ATOM 253 O GLU A 17 134.671 -8.441 -8.748 1.00 0.40 O ATOM 254 CB GLU A 17 137.371 -8.671 -9.011 1.00 0.47 C ATOM 255 CG GLU A 17 138.846 -8.273 -8.961 1.00 0.52 C ATOM 256 CD GLU A 17 139.440 -8.347 -10.368 1.00 0.57 C ATOM 257 OE1 GLU A 17 138.764 -8.857 -11.248 1.00 0.76 O ATOM 258 OE2 GLU A 17 140.559 -7.897 -10.542 1.00 0.85 O ATOM 0 H GLU A 17 137.306 -10.629 -7.203 1.00 0.41 H new ATOM 0 HA GLU A 17 137.006 -7.648 -7.135 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.271 -9.680 -9.410 1.00 0.47 H new ATOM 0 HB3 GLU A 17 136.828 -8.007 -9.684 1.00 0.47 H new ATOM 0 HG2 GLU A 17 138.948 -7.263 -8.564 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.390 -8.936 -8.289 1.00 0.52 H new ATOM 265 N LYS A 18 134.590 -9.197 -6.694 1.00 0.38 N ATOM 266 CA LYS A 18 133.112 -9.348 -6.789 1.00 0.36 C ATOM 267 C LYS A 18 132.515 -7.971 -7.112 1.00 0.32 C ATOM 268 O LYS A 18 133.059 -6.957 -6.722 1.00 0.31 O ATOM 269 CB LYS A 18 132.560 -9.850 -5.453 1.00 0.36 C ATOM 270 CG LYS A 18 132.995 -11.303 -5.238 1.00 0.45 C ATOM 271 CD LYS A 18 132.511 -11.804 -3.863 1.00 1.17 C ATOM 272 CE LYS A 18 131.097 -12.381 -3.983 1.00 1.44 C ATOM 273 NZ LYS A 18 130.576 -12.711 -2.627 1.00 2.01 N ATOM 0 H LYS A 18 135.004 -9.469 -5.802 1.00 0.38 H new ATOM 0 HA LYS A 18 132.852 -10.066 -7.567 1.00 0.36 H new ATOM 0 HB2 LYS A 18 132.925 -9.225 -4.638 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.472 -9.779 -5.446 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.586 -11.934 -6.028 1.00 0.45 H new ATOM 0 HG3 LYS A 18 134.081 -11.378 -5.299 1.00 0.45 H new ATOM 0 HD2 LYS A 18 133.192 -12.566 -3.484 1.00 1.17 H new ATOM 0 HD3 LYS A 18 132.518 -10.984 -3.145 1.00 1.17 H new ATOM 0 HE2 LYS A 18 130.440 -11.661 -4.471 1.00 1.44 H new ATOM 0 HE3 LYS A 18 131.110 -13.275 -4.606 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 129.616 -13.103 -2.710 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 131.198 -13.412 -2.177 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 130.549 -11.849 -2.046 1.00 2.01 H new ATOM 287 N PRO A 19 131.426 -7.922 -7.843 1.00 0.31 N ATOM 288 CA PRO A 19 130.795 -6.627 -8.237 1.00 0.29 C ATOM 289 C PRO A 19 130.390 -5.791 -7.021 1.00 0.25 C ATOM 290 O PRO A 19 130.138 -6.306 -5.951 1.00 0.24 O ATOM 291 CB PRO A 19 129.567 -7.039 -9.078 1.00 0.32 C ATOM 292 CG PRO A 19 129.314 -8.475 -8.735 1.00 0.33 C ATOM 293 CD PRO A 19 130.672 -9.074 -8.368 1.00 0.34 C ATOM 0 HA PRO A 19 131.484 -5.991 -8.793 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.702 -6.420 -8.840 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.762 -6.918 -10.144 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.615 -8.559 -7.903 1.00 0.33 H new ATOM 0 HG3 PRO A 19 128.871 -9.004 -9.579 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.574 -9.863 -7.622 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.164 -9.514 -9.235 1.00 0.34 H new ATOM 301 N VAL A 20 130.334 -4.500 -7.186 1.00 0.25 N ATOM 302 CA VAL A 20 129.959 -3.619 -6.050 1.00 0.23 C ATOM 303 C VAL A 20 128.610 -4.056 -5.474 1.00 0.21 C ATOM 304 O VAL A 20 128.411 -4.089 -4.276 1.00 0.23 O ATOM 305 CB VAL A 20 129.868 -2.175 -6.545 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.788 -2.068 -7.624 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.514 -1.257 -5.373 1.00 0.29 C ATOM 0 H VAL A 20 130.533 -4.017 -8.062 1.00 0.25 H new ATOM 0 HA VAL A 20 130.715 -3.691 -5.268 1.00 0.23 H new ATOM 0 HB VAL A 20 130.828 -1.875 -6.966 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.725 -1.038 -7.975 1.00 0.32 H new ATOM 0 HG12 VAL A 20 129.042 -2.721 -8.459 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.827 -2.369 -7.208 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.449 -0.227 -5.724 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.555 -1.558 -4.952 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.286 -1.331 -4.607 1.00 0.29 H new ATOM 317 N GLY A 21 127.678 -4.380 -6.333 1.00 0.23 N ATOM 318 CA GLY A 21 126.327 -4.804 -5.865 1.00 0.21 C ATOM 319 C GLY A 21 126.432 -6.082 -5.029 1.00 0.20 C ATOM 320 O GLY A 21 125.452 -6.555 -4.489 1.00 0.19 O ATOM 0 H GLY A 21 127.797 -4.368 -7.346 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.874 -4.009 -5.272 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.675 -4.974 -6.721 1.00 0.21 H new ATOM 324 N SER A 22 127.605 -6.645 -4.903 1.00 0.20 N ATOM 325 CA SER A 22 127.748 -7.886 -4.087 1.00 0.20 C ATOM 326 C SER A 22 127.889 -7.506 -2.612 1.00 0.19 C ATOM 327 O SER A 22 127.650 -8.307 -1.729 1.00 0.20 O ATOM 328 CB SER A 22 128.991 -8.658 -4.532 1.00 0.23 C ATOM 329 OG SER A 22 129.109 -9.844 -3.758 1.00 1.24 O ATOM 0 H SER A 22 128.466 -6.301 -5.328 1.00 0.20 H new ATOM 0 HA SER A 22 126.867 -8.513 -4.225 1.00 0.20 H new ATOM 0 HB2 SER A 22 128.919 -8.907 -5.591 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.880 -8.040 -4.409 1.00 0.23 H new ATOM 0 HG SER A 22 129.960 -9.834 -3.272 1.00 1.24 H new ATOM 335 N LEU A 23 128.282 -6.291 -2.338 1.00 0.17 N ATOM 336 CA LEU A 23 128.445 -5.862 -0.918 1.00 0.18 C ATOM 337 C LEU A 23 127.095 -5.914 -0.207 1.00 0.18 C ATOM 338 O LEU A 23 126.078 -5.518 -0.742 1.00 0.17 O ATOM 339 CB LEU A 23 128.977 -4.429 -0.873 1.00 0.18 C ATOM 340 CG LEU A 23 130.431 -4.388 -1.357 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.853 -2.927 -1.534 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.363 -5.080 -0.338 1.00 0.24 C ATOM 0 H LEU A 23 128.497 -5.578 -3.035 1.00 0.17 H new ATOM 0 HA LEU A 23 129.147 -6.532 -0.422 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.360 -3.784 -1.499 1.00 0.18 H new ATOM 0 HB3 LEU A 23 128.914 -4.042 0.144 1.00 0.18 H new ATOM 0 HG LEU A 23 130.508 -4.918 -2.307 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.886 -2.886 -1.878 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.206 -2.448 -2.269 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.767 -2.405 -0.581 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.391 -5.041 -0.700 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.296 -4.568 0.622 1.00 0.24 H new ATOM 0 HD23 LEU A 23 131.061 -6.120 -0.217 1.00 0.24 H new ATOM 354 N ALA A 24 127.086 -6.401 0.998 1.00 0.18 N ATOM 355 CA ALA A 24 125.808 -6.482 1.755 1.00 0.19 C ATOM 356 C ALA A 24 125.251 -5.074 1.987 1.00 0.20 C ATOM 357 O ALA A 24 125.957 -4.162 2.370 1.00 0.20 O ATOM 358 CB ALA A 24 126.062 -7.157 3.103 1.00 0.21 C ATOM 0 H ALA A 24 127.908 -6.747 1.493 1.00 0.18 H new ATOM 0 HA ALA A 24 125.085 -7.063 1.182 1.00 0.19 H new ATOM 0 HB1 ALA A 24 125.128 -7.218 3.661 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.453 -8.161 2.939 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.786 -6.574 3.671 1.00 0.21 H new ATOM 364 N GLY A 25 123.981 -4.903 1.745 1.00 0.20 N ATOM 365 CA GLY A 25 123.343 -3.563 1.934 1.00 0.21 C ATOM 366 C GLY A 25 123.281 -2.842 0.587 1.00 0.21 C ATOM 367 O GLY A 25 122.536 -1.899 0.411 1.00 0.22 O ATOM 0 H GLY A 25 123.351 -5.637 1.422 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.340 -3.679 2.345 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.914 -2.973 2.650 1.00 0.21 H new ATOM 371 N ILE A 26 124.052 -3.287 -0.372 1.00 0.20 N ATOM 372 CA ILE A 26 124.037 -2.643 -1.722 1.00 0.21 C ATOM 373 C ILE A 26 123.195 -3.515 -2.655 1.00 0.23 C ATOM 374 O ILE A 26 123.557 -4.636 -2.950 1.00 0.25 O ATOM 375 CB ILE A 26 125.470 -2.555 -2.260 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.369 -1.832 -1.244 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.481 -1.787 -3.583 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.753 -0.487 -0.840 1.00 0.24 C ATOM 0 H ILE A 26 124.695 -4.073 -0.278 1.00 0.20 H new ATOM 0 HA ILE A 26 123.617 -1.639 -1.660 1.00 0.21 H new ATOM 0 HB ILE A 26 125.848 -3.564 -2.422 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.504 -2.456 -0.361 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.357 -1.671 -1.675 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.502 -1.728 -3.961 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.855 -2.305 -4.310 1.00 0.25 H new ATOM 0 HG23 ILE A 26 125.094 -0.781 -3.423 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.404 0.010 -0.120 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.642 0.142 -1.723 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.775 -0.656 -0.389 1.00 0.24 H new ATOM 390 N GLY A 27 122.078 -3.024 -3.132 1.00 0.24 N ATOM 391 CA GLY A 27 121.232 -3.844 -4.052 1.00 0.28 C ATOM 392 C GLY A 27 121.575 -3.509 -5.505 1.00 0.28 C ATOM 393 O GLY A 27 122.419 -2.678 -5.781 1.00 0.27 O ATOM 0 H GLY A 27 121.716 -2.093 -2.925 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.397 -4.905 -3.865 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.177 -3.648 -3.863 1.00 0.28 H new ATOM 397 N GLU A 28 120.940 -4.165 -6.438 1.00 0.30 N ATOM 398 CA GLU A 28 121.248 -3.896 -7.873 1.00 0.32 C ATOM 399 C GLU A 28 121.055 -2.408 -8.179 1.00 0.32 C ATOM 400 O GLU A 28 121.822 -1.817 -8.912 1.00 0.34 O ATOM 401 CB GLU A 28 120.321 -4.718 -8.773 1.00 0.36 C ATOM 402 CG GLU A 28 120.539 -6.210 -8.514 1.00 0.39 C ATOM 403 CD GLU A 28 119.613 -7.023 -9.420 1.00 1.28 C ATOM 404 OE1 GLU A 28 118.855 -6.415 -10.158 1.00 2.01 O ATOM 405 OE2 GLU A 28 119.676 -8.240 -9.361 1.00 1.65 O ATOM 0 H GLU A 28 120.224 -4.872 -6.271 1.00 0.30 H new ATOM 0 HA GLU A 28 122.283 -4.177 -8.065 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.282 -4.454 -8.579 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.518 -4.488 -9.820 1.00 0.36 H new ATOM 0 HG2 GLU A 28 121.579 -6.476 -8.706 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.338 -6.442 -7.468 1.00 0.39 H new ATOM 412 N VAL A 29 120.035 -1.796 -7.639 1.00 0.31 N ATOM 413 CA VAL A 29 119.806 -0.349 -7.925 1.00 0.33 C ATOM 414 C VAL A 29 120.944 0.479 -7.321 1.00 0.33 C ATOM 415 O VAL A 29 121.466 1.382 -7.945 1.00 0.35 O ATOM 416 CB VAL A 29 118.469 0.086 -7.314 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.331 1.612 -7.388 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.322 -0.572 -8.086 1.00 0.35 C ATOM 0 H VAL A 29 119.354 -2.231 -7.016 1.00 0.31 H new ATOM 0 HA VAL A 29 119.779 -0.190 -9.003 1.00 0.33 H new ATOM 0 HB VAL A 29 118.433 -0.223 -6.269 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.378 1.913 -6.952 1.00 0.38 H new ATOM 0 HG12 VAL A 29 119.147 2.078 -6.835 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.370 1.931 -8.430 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.369 -0.265 -7.654 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.363 -0.264 -9.131 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.416 -1.656 -8.023 1.00 0.35 H new ATOM 428 N LEU A 30 121.327 0.185 -6.110 1.00 0.32 N ATOM 429 CA LEU A 30 122.423 0.958 -5.463 1.00 0.32 C ATOM 430 C LEU A 30 123.736 0.704 -6.199 1.00 0.32 C ATOM 431 O LEU A 30 124.545 1.593 -6.375 1.00 0.33 O ATOM 432 CB LEU A 30 122.571 0.525 -4.002 1.00 0.32 C ATOM 433 CG LEU A 30 121.298 0.867 -3.215 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.442 0.338 -1.784 1.00 0.36 C ATOM 435 CD2 LEU A 30 121.080 2.393 -3.186 1.00 0.40 C ATOM 0 H LEU A 30 120.927 -0.560 -5.539 1.00 0.32 H new ATOM 0 HA LEU A 30 122.181 2.020 -5.504 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.762 -0.547 -3.951 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.430 1.024 -3.553 1.00 0.32 H new ATOM 0 HG LEU A 30 120.438 0.403 -3.699 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.543 0.576 -1.216 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.581 -0.743 -1.808 1.00 0.36 H new ATOM 0 HD13 LEU A 30 122.305 0.804 -1.309 1.00 0.36 H new ATOM 0 HD21 LEU A 30 120.174 2.620 -2.625 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.933 2.873 -2.708 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.978 2.765 -4.205 1.00 0.40 H new ATOM 447 N GLY A 31 123.955 -0.504 -6.628 1.00 0.33 N ATOM 448 CA GLY A 31 125.216 -0.812 -7.351 1.00 0.34 C ATOM 449 C GLY A 31 125.309 0.061 -8.603 1.00 0.35 C ATOM 450 O GLY A 31 126.368 0.533 -8.964 1.00 0.35 O ATOM 0 H GLY A 31 123.317 -1.291 -6.510 1.00 0.33 H new ATOM 0 HA2 GLY A 31 126.073 -0.630 -6.703 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.242 -1.866 -7.626 1.00 0.34 H new ATOM 454 N LYS A 32 124.209 0.269 -9.274 1.00 0.35 N ATOM 455 CA LYS A 32 124.236 1.102 -10.509 1.00 0.37 C ATOM 456 C LYS A 32 124.586 2.557 -10.171 1.00 0.36 C ATOM 457 O LYS A 32 125.311 3.207 -10.896 1.00 0.38 O ATOM 458 CB LYS A 32 122.861 1.055 -11.182 1.00 0.39 C ATOM 459 CG LYS A 32 122.631 -0.340 -11.766 1.00 1.18 C ATOM 460 CD LYS A 32 121.259 -0.393 -12.440 1.00 1.37 C ATOM 461 CE LYS A 32 121.032 -1.788 -13.024 1.00 2.06 C ATOM 462 NZ LYS A 32 120.837 -2.766 -11.916 1.00 2.74 N ATOM 0 H LYS A 32 123.293 -0.102 -9.020 1.00 0.35 H new ATOM 0 HA LYS A 32 124.996 0.706 -11.183 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.081 1.292 -10.458 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.803 1.806 -11.970 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.412 -0.576 -12.489 1.00 1.18 H new ATOM 0 HG3 LYS A 32 122.689 -1.090 -10.977 1.00 1.18 H new ATOM 0 HD2 LYS A 32 120.478 -0.158 -11.717 1.00 1.37 H new ATOM 0 HD3 LYS A 32 121.200 0.357 -13.229 1.00 1.37 H new ATOM 0 HE2 LYS A 32 120.159 -1.783 -13.676 1.00 2.06 H new ATOM 0 HE3 LYS A 32 121.885 -2.081 -13.636 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 121.593 -3.479 -11.945 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 120.867 -2.268 -11.004 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 119.915 -3.234 -12.025 1.00 2.74 H new ATOM 476 N LYS A 33 124.068 3.088 -9.093 1.00 0.35 N ATOM 477 CA LYS A 33 124.380 4.510 -8.762 1.00 0.36 C ATOM 478 C LYS A 33 125.858 4.637 -8.379 1.00 0.34 C ATOM 479 O LYS A 33 126.550 5.522 -8.841 1.00 0.36 O ATOM 480 CB LYS A 33 123.503 4.966 -7.592 1.00 0.36 C ATOM 481 CG LYS A 33 122.050 5.082 -8.060 1.00 0.39 C ATOM 482 CD LYS A 33 121.171 5.538 -6.894 1.00 0.64 C ATOM 483 CE LYS A 33 119.718 5.654 -7.361 1.00 0.65 C ATOM 484 NZ LYS A 33 118.848 5.979 -6.194 1.00 1.54 N ATOM 0 H LYS A 33 123.452 2.607 -8.437 1.00 0.35 H new ATOM 0 HA LYS A 33 124.179 5.137 -9.631 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.576 4.254 -6.770 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.853 5.927 -7.214 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.978 5.793 -8.883 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.701 4.121 -8.438 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.243 4.827 -6.071 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.520 6.499 -6.516 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.630 6.429 -8.122 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.396 4.719 -7.820 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.128 6.672 -6.480 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 118.380 5.113 -5.858 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 119.428 6.378 -5.429 1.00 1.54 H new ATOM 498 N LEU A 34 126.355 3.752 -7.560 1.00 0.32 N ATOM 499 CA LEU A 34 127.795 3.818 -7.181 1.00 0.31 C ATOM 500 C LEU A 34 128.643 3.599 -8.441 1.00 0.31 C ATOM 501 O LEU A 34 129.658 4.234 -8.648 1.00 0.33 O ATOM 502 CB LEU A 34 128.108 2.731 -6.145 1.00 0.29 C ATOM 503 CG LEU A 34 127.360 3.016 -4.832 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.343 1.746 -3.978 1.00 0.30 C ATOM 505 CD2 LEU A 34 128.063 4.136 -4.043 1.00 0.34 C ATOM 0 H LEU A 34 125.828 2.988 -7.137 1.00 0.32 H new ATOM 0 HA LEU A 34 128.023 4.791 -6.746 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.817 1.755 -6.533 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.181 2.694 -5.960 1.00 0.29 H new ATOM 0 HG LEU A 34 126.343 3.330 -5.068 1.00 0.30 H new ATOM 0 HD11 LEU A 34 126.814 1.942 -3.045 1.00 0.30 H new ATOM 0 HD12 LEU A 34 126.837 0.949 -4.522 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.366 1.442 -3.758 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.520 4.325 -3.117 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.083 3.832 -3.810 1.00 0.34 H new ATOM 0 HD23 LEU A 34 128.084 5.046 -4.643 1.00 0.34 H new ATOM 517 N GLU A 35 128.218 2.693 -9.276 1.00 0.32 N ATOM 518 CA GLU A 35 128.989 2.414 -10.525 1.00 0.34 C ATOM 519 C GLU A 35 129.071 3.686 -11.373 1.00 0.37 C ATOM 520 O GLU A 35 130.098 4.000 -11.942 1.00 0.39 O ATOM 521 CB GLU A 35 128.298 1.300 -11.319 1.00 0.35 C ATOM 522 CG GLU A 35 129.086 1.012 -12.600 1.00 0.93 C ATOM 523 CD GLU A 35 128.457 -0.176 -13.329 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.576 -0.798 -12.757 1.00 1.36 O ATOM 525 OE2 GLU A 35 128.865 -0.444 -14.446 1.00 1.67 O ATOM 0 H GLU A 35 127.374 2.134 -9.151 1.00 0.32 H new ATOM 0 HA GLU A 35 129.998 2.093 -10.264 1.00 0.34 H new ATOM 0 HB2 GLU A 35 128.229 0.397 -10.712 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.279 1.596 -11.567 1.00 0.35 H new ATOM 0 HG2 GLU A 35 129.085 1.890 -13.245 1.00 0.93 H new ATOM 0 HG3 GLU A 35 130.127 0.795 -12.359 1.00 0.93 H new ATOM 532 N GLU A 36 127.999 4.425 -11.454 1.00 0.39 N ATOM 533 CA GLU A 36 128.016 5.681 -12.254 1.00 0.43 C ATOM 534 C GLU A 36 128.968 6.667 -11.580 1.00 0.45 C ATOM 535 O GLU A 36 129.437 7.614 -12.178 1.00 0.49 O ATOM 536 CB GLU A 36 126.604 6.274 -12.308 1.00 0.45 C ATOM 537 CG GLU A 36 126.600 7.521 -13.196 1.00 1.12 C ATOM 538 CD GLU A 36 125.189 8.109 -13.245 1.00 1.39 C ATOM 539 OE1 GLU A 36 124.277 7.451 -12.772 1.00 1.86 O ATOM 540 OE2 GLU A 36 125.043 9.206 -13.757 1.00 2.00 O ATOM 0 H GLU A 36 127.111 4.212 -11.000 1.00 0.39 H new ATOM 0 HA GLU A 36 128.350 5.477 -13.271 1.00 0.43 H new ATOM 0 HB2 GLU A 36 125.904 5.536 -12.699 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.269 6.531 -11.303 1.00 0.45 H new ATOM 0 HG2 GLU A 36 127.300 8.260 -12.806 1.00 1.12 H new ATOM 0 HG3 GLU A 36 126.934 7.265 -14.202 1.00 1.12 H new ATOM 547 N ARG A 37 129.249 6.442 -10.329 1.00 0.42 N ATOM 548 CA ARG A 37 130.163 7.357 -9.587 1.00 0.45 C ATOM 549 C ARG A 37 131.610 6.860 -9.700 1.00 0.42 C ATOM 550 O ARG A 37 132.510 7.420 -9.105 1.00 0.43 O ATOM 551 CB ARG A 37 129.737 7.414 -8.117 1.00 0.45 C ATOM 552 CG ARG A 37 128.408 8.175 -7.992 1.00 0.53 C ATOM 553 CD ARG A 37 128.599 9.664 -8.347 1.00 0.86 C ATOM 554 NE ARG A 37 127.728 10.503 -7.463 1.00 1.42 N ATOM 555 CZ ARG A 37 126.462 10.227 -7.298 1.00 1.88 C ATOM 556 NH1 ARG A 37 125.883 9.313 -8.025 1.00 2.15 N ATOM 557 NH2 ARG A 37 125.760 10.905 -6.431 1.00 2.69 N ATOM 0 H ARG A 37 128.884 5.661 -9.784 1.00 0.42 H new ATOM 0 HA ARG A 37 130.105 8.356 -10.018 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.628 6.405 -7.721 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.507 7.908 -7.524 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.665 7.730 -8.654 1.00 0.53 H new ATOM 0 HG3 ARG A 37 128.025 8.084 -6.976 1.00 0.53 H new ATOM 0 HD2 ARG A 37 129.644 9.948 -8.221 1.00 0.86 H new ATOM 0 HD3 ARG A 37 128.346 9.835 -9.393 1.00 0.86 H new ATOM 0 HE ARG A 37 128.132 11.306 -6.980 1.00 1.42 H new ATOM 0 HH11 ARG A 37 126.419 8.807 -8.730 1.00 2.15 H new ATOM 0 HH12 ARG A 37 124.894 9.104 -7.889 1.00 2.15 H new ATOM 0 HH21 ARG A 37 126.200 11.646 -5.886 1.00 2.69 H new ATOM 0 HH22 ARG A 37 124.771 10.693 -6.298 1.00 2.69 H new ATOM 571 N GLY A 38 131.850 5.842 -10.494 1.00 0.40 N ATOM 572 CA GLY A 38 133.253 5.345 -10.683 1.00 0.39 C ATOM 573 C GLY A 38 133.549 4.124 -9.808 1.00 0.37 C ATOM 574 O GLY A 38 134.682 3.692 -9.719 1.00 0.48 O ATOM 0 H GLY A 38 131.137 5.335 -11.018 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.409 5.087 -11.731 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.956 6.143 -10.443 1.00 0.39 H new ATOM 578 N PHE A 39 132.561 3.550 -9.168 1.00 0.31 N ATOM 579 CA PHE A 39 132.809 2.346 -8.310 1.00 0.28 C ATOM 580 C PHE A 39 132.272 1.101 -9.018 1.00 0.28 C ATOM 581 O PHE A 39 131.234 0.575 -8.667 1.00 0.28 O ATOM 582 CB PHE A 39 132.056 2.515 -6.996 1.00 0.27 C ATOM 583 CG PHE A 39 132.588 3.709 -6.241 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.158 4.990 -6.587 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.495 3.535 -5.190 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.634 6.105 -5.888 1.00 0.33 C ATOM 587 CE2 PHE A 39 133.973 4.648 -4.488 1.00 0.30 C ATOM 588 CZ PHE A 39 133.544 5.933 -4.837 1.00 0.32 C ATOM 0 H PHE A 39 131.591 3.863 -9.202 1.00 0.31 H new ATOM 0 HA PHE A 39 133.878 2.240 -8.127 1.00 0.28 H new ATOM 0 HB2 PHE A 39 130.992 2.644 -7.192 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.161 1.615 -6.390 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.456 5.122 -7.397 1.00 0.31 H new ATOM 0 HD2 PHE A 39 133.826 2.543 -4.920 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.300 7.096 -6.158 1.00 0.33 H new ATOM 0 HE2 PHE A 39 134.673 4.515 -3.677 1.00 0.30 H new ATOM 0 HZ PHE A 39 133.914 6.792 -4.297 1.00 0.32 H new ATOM 598 N ASP A 40 132.957 0.638 -10.026 1.00 0.30 N ATOM 599 CA ASP A 40 132.460 -0.558 -10.768 1.00 0.31 C ATOM 600 C ASP A 40 132.802 -1.841 -10.008 1.00 0.29 C ATOM 601 O ASP A 40 132.333 -2.908 -10.352 1.00 0.30 O ATOM 602 CB ASP A 40 133.100 -0.599 -12.156 1.00 0.35 C ATOM 603 CG ASP A 40 134.622 -0.684 -12.019 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.120 -0.347 -10.957 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.262 -1.080 -12.978 1.00 0.41 O ATOM 0 H ASP A 40 133.834 1.032 -10.368 1.00 0.30 H new ATOM 0 HA ASP A 40 131.377 -0.487 -10.864 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.727 -1.458 -12.714 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.825 0.292 -12.720 1.00 0.35 H new ATOM 610 N LYS A 41 133.611 -1.757 -8.979 1.00 0.28 N ATOM 611 CA LYS A 41 133.974 -2.986 -8.200 1.00 0.28 C ATOM 612 C LYS A 41 133.829 -2.705 -6.703 1.00 0.23 C ATOM 613 O LYS A 41 133.902 -1.578 -6.257 1.00 0.23 O ATOM 614 CB LYS A 41 135.423 -3.382 -8.498 1.00 0.34 C ATOM 615 CG LYS A 41 135.603 -3.674 -9.997 1.00 0.48 C ATOM 616 CD LYS A 41 134.999 -5.038 -10.359 1.00 0.74 C ATOM 617 CE LYS A 41 135.402 -5.406 -11.787 1.00 0.71 C ATOM 618 NZ LYS A 41 134.803 -4.427 -12.739 1.00 1.56 N ATOM 0 H LYS A 41 134.036 -0.892 -8.644 1.00 0.28 H new ATOM 0 HA LYS A 41 133.308 -3.799 -8.489 1.00 0.28 H new ATOM 0 HB2 LYS A 41 136.095 -2.580 -8.194 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.693 -4.262 -7.915 1.00 0.34 H new ATOM 0 HG2 LYS A 41 135.125 -2.891 -10.585 1.00 0.48 H new ATOM 0 HG3 LYS A 41 136.663 -3.661 -10.251 1.00 0.48 H new ATOM 0 HD2 LYS A 41 135.349 -5.800 -9.662 1.00 0.74 H new ATOM 0 HD3 LYS A 41 133.913 -5.002 -10.273 1.00 0.74 H new ATOM 0 HE2 LYS A 41 136.488 -5.404 -11.882 1.00 0.71 H new ATOM 0 HE3 LYS A 41 135.063 -6.414 -12.024 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 134.886 -4.791 -13.710 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 133.799 -4.287 -12.507 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 135.305 -3.519 -12.665 1.00 1.56 H new ATOM 632 N ALA A 42 133.611 -3.733 -5.932 1.00 0.21 N ATOM 633 CA ALA A 42 133.441 -3.559 -4.460 1.00 0.20 C ATOM 634 C ALA A 42 134.726 -3.030 -3.816 1.00 0.18 C ATOM 635 O ALA A 42 134.680 -2.217 -2.916 1.00 0.18 O ATOM 636 CB ALA A 42 133.078 -4.906 -3.832 1.00 0.21 C ATOM 0 H ALA A 42 133.542 -4.696 -6.261 1.00 0.21 H new ATOM 0 HA ALA A 42 132.645 -2.834 -4.287 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.953 -4.784 -2.756 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.147 -5.271 -4.267 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.875 -5.624 -4.025 1.00 0.21 H new ATOM 642 N TYR A 43 135.870 -3.499 -4.234 1.00 0.19 N ATOM 643 CA TYR A 43 137.131 -3.030 -3.592 1.00 0.18 C ATOM 644 C TYR A 43 137.255 -1.503 -3.691 1.00 0.17 C ATOM 645 O TYR A 43 137.987 -0.891 -2.938 1.00 0.17 O ATOM 646 CB TYR A 43 138.358 -3.714 -4.215 1.00 0.20 C ATOM 647 CG TYR A 43 138.456 -3.419 -5.693 1.00 0.21 C ATOM 648 CD1 TYR A 43 138.904 -2.168 -6.129 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.123 -4.408 -6.629 1.00 0.24 C ATOM 650 CE1 TYR A 43 139.016 -1.903 -7.496 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.235 -4.140 -7.999 1.00 0.28 C ATOM 652 CZ TYR A 43 138.681 -2.888 -8.432 1.00 0.28 C ATOM 653 OH TYR A 43 138.792 -2.625 -9.782 1.00 0.32 O ATOM 0 H TYR A 43 135.986 -4.180 -4.985 1.00 0.19 H new ATOM 0 HA TYR A 43 137.092 -3.305 -2.538 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.263 -3.372 -3.712 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.295 -4.791 -4.060 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.164 -1.406 -5.409 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.780 -5.376 -6.294 1.00 0.24 H new ATOM 0 HE1 TYR A 43 139.362 -0.936 -7.831 1.00 0.25 H new ATOM 0 HE2 TYR A 43 137.977 -4.901 -8.721 1.00 0.28 H new ATOM 0 HH TYR A 43 138.996 -3.455 -10.261 1.00 0.32 H new ATOM 663 N VAL A 44 136.535 -0.870 -4.581 1.00 0.18 N ATOM 664 CA VAL A 44 136.620 0.622 -4.670 1.00 0.18 C ATOM 665 C VAL A 44 135.760 1.212 -3.549 1.00 0.17 C ATOM 666 O VAL A 44 136.062 2.239 -2.976 1.00 0.18 O ATOM 667 CB VAL A 44 136.090 1.108 -6.027 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.340 2.617 -6.174 1.00 0.22 C ATOM 669 CG2 VAL A 44 136.806 0.368 -7.158 1.00 0.24 C ATOM 0 H VAL A 44 135.899 -1.313 -5.243 1.00 0.18 H new ATOM 0 HA VAL A 44 137.658 0.940 -4.571 1.00 0.18 H new ATOM 0 HB VAL A 44 135.020 0.909 -6.080 1.00 0.20 H new ATOM 0 HG11 VAL A 44 135.962 2.956 -7.138 1.00 0.22 H new ATOM 0 HG12 VAL A 44 135.826 3.151 -5.375 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.410 2.816 -6.113 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.426 0.716 -8.118 1.00 0.24 H new ATOM 0 HG22 VAL A 44 137.877 0.562 -7.099 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.626 -0.703 -7.064 1.00 0.24 H new ATOM 679 N VAL A 45 134.682 0.540 -3.245 1.00 0.17 N ATOM 680 CA VAL A 45 133.768 1.015 -2.168 1.00 0.17 C ATOM 681 C VAL A 45 134.389 0.664 -0.816 1.00 0.16 C ATOM 682 O VAL A 45 134.366 1.448 0.112 1.00 0.16 O ATOM 683 CB VAL A 45 132.411 0.323 -2.306 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.537 0.656 -1.095 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.719 0.806 -3.585 1.00 0.20 C ATOM 0 H VAL A 45 134.394 -0.325 -3.701 1.00 0.17 H new ATOM 0 HA VAL A 45 133.625 2.093 -2.245 1.00 0.17 H new ATOM 0 HB VAL A 45 132.559 -0.756 -2.357 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.571 0.161 -1.196 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.028 0.310 -0.186 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.388 1.734 -1.039 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.752 0.313 -3.684 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.573 1.885 -3.534 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.339 0.564 -4.448 1.00 0.20 H new ATOM 695 N LEU A 46 134.975 -0.495 -0.710 1.00 0.17 N ATOM 696 CA LEU A 46 135.631 -0.878 0.567 1.00 0.18 C ATOM 697 C LEU A 46 136.722 0.151 0.853 1.00 0.17 C ATOM 698 O LEU A 46 136.944 0.551 1.978 1.00 0.18 O ATOM 699 CB LEU A 46 136.235 -2.283 0.424 1.00 0.22 C ATOM 700 CG LEU A 46 137.119 -2.630 1.632 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.309 -2.549 2.930 1.00 0.40 C ATOM 702 CD2 LEU A 46 137.651 -4.055 1.463 1.00 0.35 C ATOM 0 H LEU A 46 135.027 -1.192 -1.453 1.00 0.17 H new ATOM 0 HA LEU A 46 134.915 -0.896 1.389 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.436 -3.018 0.331 1.00 0.22 H new ATOM 0 HB3 LEU A 46 136.826 -2.337 -0.490 1.00 0.22 H new ATOM 0 HG LEU A 46 137.943 -1.919 1.686 1.00 0.25 H new ATOM 0 HD11 LEU A 46 136.951 -2.798 3.775 1.00 0.40 H new ATOM 0 HD12 LEU A 46 135.921 -1.538 3.054 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.478 -3.254 2.885 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.280 -4.312 2.315 1.00 0.35 H new ATOM 0 HD22 LEU A 46 136.814 -4.751 1.406 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.238 -4.118 0.547 1.00 0.35 H new ATOM 714 N GLY A 47 137.398 0.583 -0.176 1.00 0.17 N ATOM 715 CA GLY A 47 138.476 1.592 0.003 1.00 0.18 C ATOM 716 C GLY A 47 137.891 2.868 0.614 1.00 0.18 C ATOM 717 O GLY A 47 138.484 3.478 1.479 1.00 0.18 O ATOM 0 H GLY A 47 137.248 0.278 -1.138 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.258 1.193 0.649 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.940 1.817 -0.957 1.00 0.18 H new ATOM 721 N GLN A 48 136.729 3.275 0.173 1.00 0.17 N ATOM 722 CA GLN A 48 136.112 4.513 0.732 1.00 0.18 C ATOM 723 C GLN A 48 135.897 4.338 2.236 1.00 0.17 C ATOM 724 O GLN A 48 136.130 5.238 3.013 1.00 0.18 O ATOM 725 CB GLN A 48 134.772 4.780 0.039 1.00 0.19 C ATOM 726 CG GLN A 48 134.240 6.154 0.458 1.00 0.22 C ATOM 727 CD GLN A 48 135.144 7.252 -0.110 1.00 0.28 C ATOM 728 OE1 GLN A 48 135.848 7.915 0.625 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.158 7.471 -1.397 1.00 1.09 N ATOM 0 H GLN A 48 136.182 2.805 -0.548 1.00 0.17 H new ATOM 0 HA GLN A 48 136.775 5.361 0.560 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.897 4.742 -1.043 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.053 4.005 0.304 1.00 0.19 H new ATOM 0 HG2 GLN A 48 133.220 6.286 0.096 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.204 6.225 1.545 1.00 0.22 H new ATOM 0 HE21 GLN A 48 134.567 6.915 -2.015 1.00 1.09 H new ATOM 0 HE22 GLN A 48 135.760 8.198 -1.784 1.00 1.09 H new ATOM 738 N PHE A 49 135.482 3.177 2.656 1.00 0.17 N ATOM 739 CA PHE A 49 135.277 2.938 4.114 1.00 0.17 C ATOM 740 C PHE A 49 136.613 3.155 4.823 1.00 0.18 C ATOM 741 O PHE A 49 136.682 3.720 5.897 1.00 0.19 O ATOM 742 CB PHE A 49 134.801 1.496 4.312 1.00 0.17 C ATOM 743 CG PHE A 49 134.615 1.202 5.784 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.591 1.830 6.501 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.459 0.287 6.429 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.412 1.547 7.861 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.282 0.006 7.787 1.00 0.31 C ATOM 748 CZ PHE A 49 134.258 0.635 8.503 1.00 0.26 C ATOM 0 H PHE A 49 135.275 2.381 2.053 1.00 0.17 H new ATOM 0 HA PHE A 49 134.531 3.619 4.523 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.862 1.340 3.781 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.527 0.804 3.885 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.938 2.533 6.006 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.247 -0.202 5.876 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.622 2.032 8.414 1.00 0.26 H new ATOM 0 HE2 PHE A 49 135.936 -0.696 8.283 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.120 0.417 9.552 1.00 0.26 H new ATOM 758 N LEU A 50 137.667 2.709 4.221 1.00 0.19 N ATOM 759 CA LEU A 50 139.004 2.886 4.849 1.00 0.21 C ATOM 760 C LEU A 50 139.375 4.373 4.811 1.00 0.21 C ATOM 761 O LEU A 50 139.954 4.900 5.739 1.00 0.23 O ATOM 762 CB LEU A 50 140.046 2.070 4.082 1.00 0.23 C ATOM 763 CG LEU A 50 139.658 0.584 4.091 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.716 -0.214 3.323 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.560 0.063 5.536 1.00 0.28 C ATOM 0 H LEU A 50 137.667 2.229 3.321 1.00 0.19 H new ATOM 0 HA LEU A 50 138.977 2.540 5.882 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.118 2.430 3.056 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.029 2.201 4.535 1.00 0.23 H new ATOM 0 HG LEU A 50 138.685 0.465 3.614 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.447 -1.270 3.325 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.768 0.145 2.295 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.687 -0.086 3.801 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.284 -0.991 5.525 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.524 0.181 6.031 1.00 0.28 H new ATOM 0 HD23 LEU A 50 138.802 0.630 6.077 1.00 0.28 H new ATOM 777 N VAL A 51 139.060 5.048 3.741 1.00 0.21 N ATOM 778 CA VAL A 51 139.410 6.497 3.640 1.00 0.23 C ATOM 779 C VAL A 51 138.631 7.304 4.690 1.00 0.23 C ATOM 780 O VAL A 51 139.038 8.378 5.085 1.00 0.24 O ATOM 781 CB VAL A 51 139.084 7.016 2.234 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.245 8.540 2.192 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.047 6.380 1.226 1.00 0.27 C ATOM 0 H VAL A 51 138.575 4.661 2.931 1.00 0.21 H new ATOM 0 HA VAL A 51 140.478 6.616 3.825 1.00 0.23 H new ATOM 0 HB VAL A 51 138.056 6.755 1.983 1.00 0.25 H new ATOM 0 HG11 VAL A 51 139.012 8.903 1.191 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.566 8.998 2.911 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.272 8.804 2.444 1.00 0.28 H new ATOM 0 HG21 VAL A 51 139.819 6.746 0.225 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.072 6.645 1.485 1.00 0.27 H new ATOM 0 HG23 VAL A 51 139.936 5.296 1.250 1.00 0.27 H new ATOM 793 N LEU A 52 137.510 6.800 5.135 1.00 0.22 N ATOM 794 CA LEU A 52 136.698 7.546 6.151 1.00 0.23 C ATOM 795 C LEU A 52 137.083 7.103 7.567 1.00 0.23 C ATOM 796 O LEU A 52 136.389 7.392 8.521 1.00 0.24 O ATOM 797 CB LEU A 52 135.208 7.287 5.915 1.00 0.24 C ATOM 798 CG LEU A 52 134.799 7.796 4.524 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.322 7.474 4.290 1.00 0.31 C ATOM 800 CD2 LEU A 52 135.013 9.320 4.424 1.00 0.27 C ATOM 0 H LEU A 52 137.119 5.905 4.841 1.00 0.22 H new ATOM 0 HA LEU A 52 136.900 8.612 6.048 1.00 0.23 H new ATOM 0 HB2 LEU A 52 134.999 6.220 5.997 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.618 7.788 6.682 1.00 0.24 H new ATOM 0 HG LEU A 52 135.414 7.306 3.769 1.00 0.25 H new ATOM 0 HD11 LEU A 52 133.023 7.832 3.305 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.171 6.396 4.345 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.717 7.964 5.053 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.719 9.664 3.433 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.407 9.823 5.178 1.00 0.27 H new ATOM 0 HD23 LEU A 52 136.065 9.551 4.591 1.00 0.27 H new ATOM 812 N LYS A 53 138.190 6.434 7.727 1.00 0.22 N ATOM 813 CA LYS A 53 138.617 6.013 9.092 1.00 0.23 C ATOM 814 C LYS A 53 137.465 5.341 9.840 1.00 0.24 C ATOM 815 O LYS A 53 137.255 5.587 11.010 1.00 0.30 O ATOM 816 CB LYS A 53 139.091 7.241 9.873 1.00 0.29 C ATOM 817 CG LYS A 53 140.408 7.752 9.277 1.00 0.38 C ATOM 818 CD LYS A 53 140.953 8.907 10.124 1.00 0.49 C ATOM 819 CE LYS A 53 140.015 10.113 10.043 1.00 0.90 C ATOM 820 NZ LYS A 53 140.758 11.342 10.438 1.00 1.70 N ATOM 0 H LYS A 53 138.819 6.160 6.972 1.00 0.22 H new ATOM 0 HA LYS A 53 139.431 5.294 8.998 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.334 8.024 9.833 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.230 6.985 10.923 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.137 6.943 9.238 1.00 0.38 H new ATOM 0 HG3 LYS A 53 140.248 8.086 8.252 1.00 0.38 H new ATOM 0 HD2 LYS A 53 141.058 8.588 11.161 1.00 0.49 H new ATOM 0 HD3 LYS A 53 141.947 9.186 9.774 1.00 0.49 H new ATOM 0 HE2 LYS A 53 139.627 10.219 9.030 1.00 0.90 H new ATOM 0 HE3 LYS A 53 139.157 9.966 10.699 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 140.123 12.164 10.384 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 141.108 11.238 11.412 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 141.563 11.483 9.794 1.00 1.70 H new ATOM 834 N LYS A 54 136.722 4.490 9.178 1.00 0.22 N ATOM 835 CA LYS A 54 135.584 3.779 9.836 1.00 0.25 C ATOM 836 C LYS A 54 134.612 4.804 10.422 1.00 0.27 C ATOM 837 O LYS A 54 133.809 4.483 11.275 1.00 0.33 O ATOM 838 CB LYS A 54 136.113 2.882 10.966 1.00 0.35 C ATOM 839 CG LYS A 54 137.087 1.848 10.398 1.00 0.67 C ATOM 840 CD LYS A 54 137.608 0.959 11.533 1.00 0.83 C ATOM 841 CE LYS A 54 138.586 -0.078 10.971 1.00 1.41 C ATOM 842 NZ LYS A 54 138.737 -1.197 11.943 1.00 2.24 N ATOM 0 H LYS A 54 136.858 4.255 8.195 1.00 0.22 H new ATOM 0 HA LYS A 54 135.071 3.165 9.096 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.613 3.489 11.720 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.283 2.379 11.461 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.588 1.239 9.644 1.00 0.67 H new ATOM 0 HG3 LYS A 54 137.919 2.349 9.903 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.104 1.570 12.287 1.00 0.83 H new ATOM 0 HD3 LYS A 54 136.775 0.458 12.026 1.00 0.83 H new ATOM 0 HE2 LYS A 54 138.221 -0.458 10.017 1.00 1.41 H new ATOM 0 HE3 LYS A 54 139.554 0.385 10.780 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 139.401 -1.901 11.562 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 139.104 -0.828 12.843 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 137.812 -1.645 12.103 1.00 2.24 H new ATOM 856 N ASP A 55 134.654 6.029 9.973 1.00 0.29 N ATOM 857 CA ASP A 55 133.700 7.036 10.518 1.00 0.39 C ATOM 858 C ASP A 55 132.290 6.653 10.060 1.00 0.37 C ATOM 859 O ASP A 55 131.946 6.775 8.902 1.00 0.37 O ATOM 860 CB ASP A 55 134.069 8.425 9.997 1.00 0.46 C ATOM 861 CG ASP A 55 135.306 8.935 10.740 1.00 1.18 C ATOM 862 OD1 ASP A 55 135.391 8.704 11.934 1.00 1.80 O ATOM 863 OD2 ASP A 55 136.144 9.551 10.102 1.00 1.55 O ATOM 0 H ASP A 55 135.299 6.373 9.262 1.00 0.29 H new ATOM 0 HA ASP A 55 133.743 7.055 11.607 1.00 0.39 H new ATOM 0 HB2 ASP A 55 134.266 8.383 8.926 1.00 0.46 H new ATOM 0 HB3 ASP A 55 133.236 9.113 10.141 1.00 0.46 H new ATOM 868 N GLU A 56 131.485 6.156 10.960 1.00 0.38 N ATOM 869 CA GLU A 56 130.108 5.718 10.591 1.00 0.37 C ATOM 870 C GLU A 56 129.239 6.882 10.093 1.00 0.38 C ATOM 871 O GLU A 56 128.484 6.733 9.158 1.00 0.37 O ATOM 872 CB GLU A 56 129.446 5.081 11.815 1.00 0.39 C ATOM 873 CG GLU A 56 128.097 4.477 11.418 1.00 0.41 C ATOM 874 CD GLU A 56 127.453 3.820 12.640 1.00 0.62 C ATOM 875 OE1 GLU A 56 128.077 3.823 13.688 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.348 3.320 12.507 1.00 0.85 O ATOM 0 H GLU A 56 131.725 6.034 11.944 1.00 0.38 H new ATOM 0 HA GLU A 56 130.193 5.001 9.775 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.093 4.308 12.229 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.305 5.830 12.594 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.442 5.253 11.021 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.235 3.741 10.626 1.00 0.41 H new ATOM 883 N ASP A 57 129.319 8.035 10.699 1.00 0.40 N ATOM 884 CA ASP A 57 128.465 9.168 10.229 1.00 0.41 C ATOM 885 C ASP A 57 128.940 9.636 8.855 1.00 0.40 C ATOM 886 O ASP A 57 128.148 9.931 7.983 1.00 0.40 O ATOM 887 CB ASP A 57 128.561 10.332 11.219 1.00 0.45 C ATOM 888 CG ASP A 57 127.855 9.961 12.525 1.00 0.47 C ATOM 889 OD1 ASP A 57 126.995 9.096 12.486 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.188 10.547 13.541 1.00 0.73 O ATOM 0 H ASP A 57 129.930 8.243 11.489 1.00 0.40 H new ATOM 0 HA ASP A 57 127.431 8.830 10.162 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.607 10.570 11.415 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.106 11.225 10.790 1.00 0.45 H new ATOM 895 N LEU A 58 130.217 9.688 8.645 1.00 0.40 N ATOM 896 CA LEU A 58 130.709 10.119 7.310 1.00 0.40 C ATOM 897 C LEU A 58 130.401 9.025 6.290 1.00 0.37 C ATOM 898 O LEU A 58 129.999 9.295 5.176 1.00 0.38 O ATOM 899 CB LEU A 58 132.218 10.364 7.348 1.00 0.40 C ATOM 900 CG LEU A 58 132.553 11.495 8.328 1.00 0.47 C ATOM 901 CD1 LEU A 58 134.072 11.689 8.365 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.874 12.806 7.881 1.00 0.55 C ATOM 0 H LEU A 58 130.938 9.455 9.328 1.00 0.40 H new ATOM 0 HA LEU A 58 130.211 11.047 7.030 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.733 9.451 7.647 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.576 10.620 6.351 1.00 0.40 H new ATOM 0 HG LEU A 58 132.188 11.233 9.321 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.319 12.492 9.060 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.549 10.765 8.693 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.430 11.948 7.369 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.119 13.601 8.585 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.229 13.079 6.887 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.793 12.666 7.855 1.00 0.55 H new ATOM 914 N PHE A 59 130.567 7.788 6.670 1.00 0.36 N ATOM 915 CA PHE A 59 130.262 6.678 5.729 1.00 0.35 C ATOM 916 C PHE A 59 128.774 6.684 5.393 1.00 0.35 C ATOM 917 O PHE A 59 128.385 6.632 4.243 1.00 0.35 O ATOM 918 CB PHE A 59 130.649 5.344 6.369 1.00 0.34 C ATOM 919 CG PHE A 59 130.308 4.221 5.422 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.250 3.788 4.481 1.00 0.35 C ATOM 921 CD2 PHE A 59 129.052 3.608 5.488 1.00 0.36 C ATOM 922 CE1 PHE A 59 130.935 2.744 3.605 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.736 2.564 4.612 1.00 0.38 C ATOM 924 CZ PHE A 59 129.677 2.132 3.669 1.00 0.36 C ATOM 0 H PHE A 59 130.900 7.500 7.590 1.00 0.36 H new ATOM 0 HA PHE A 59 130.834 6.813 4.811 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.715 5.332 6.597 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.120 5.213 7.313 1.00 0.34 H new ATOM 0 HD1 PHE A 59 132.220 4.260 4.432 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.326 3.941 6.215 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.662 2.410 2.879 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.766 2.091 4.663 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.433 1.327 2.991 1.00 0.36 H new ATOM 934 N ARG A 60 127.935 6.741 6.392 1.00 0.37 N ATOM 935 CA ARG A 60 126.470 6.742 6.135 1.00 0.38 C ATOM 936 C ARG A 60 126.075 7.961 5.303 1.00 0.39 C ATOM 937 O ARG A 60 125.342 7.852 4.341 1.00 0.39 O ATOM 938 CB ARG A 60 125.717 6.774 7.465 1.00 0.42 C ATOM 939 CG ARG A 60 125.881 5.434 8.189 1.00 0.43 C ATOM 940 CD ARG A 60 125.139 5.491 9.522 1.00 0.50 C ATOM 941 NE ARG A 60 123.674 5.568 9.262 1.00 1.31 N ATOM 942 CZ ARG A 60 122.825 5.376 10.233 1.00 1.55 C ATOM 943 NH1 ARG A 60 123.259 5.149 11.442 1.00 1.16 N ATOM 944 NH2 ARG A 60 121.542 5.417 9.995 1.00 2.64 N ATOM 0 H ARG A 60 128.203 6.787 7.375 1.00 0.37 H new ATOM 0 HA ARG A 60 126.211 5.838 5.584 1.00 0.38 H new ATOM 0 HB2 ARG A 60 126.097 7.583 8.089 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.660 6.976 7.290 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.488 4.624 7.574 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.937 5.224 8.356 1.00 0.43 H new ATOM 0 HD2 ARG A 60 125.369 4.608 10.118 1.00 0.50 H new ATOM 0 HD3 ARG A 60 125.465 6.358 10.097 1.00 0.50 H new ATOM 0 HE ARG A 60 123.334 5.771 8.322 1.00 1.31 H new ATOM 0 HH11 ARG A 60 124.262 5.122 11.627 1.00 1.16 H new ATOM 0 HH12 ARG A 60 122.596 4.999 12.202 1.00 1.16 H new ATOM 0 HH21 ARG A 60 121.204 5.599 9.050 1.00 2.64 H new ATOM 0 HH22 ARG A 60 120.877 5.267 10.754 1.00 2.64 H new ATOM 958 N GLU A 61 126.556 9.122 5.655 1.00 0.41 N ATOM 959 CA GLU A 61 126.206 10.335 4.871 1.00 0.44 C ATOM 960 C GLU A 61 126.776 10.190 3.461 1.00 0.42 C ATOM 961 O GLU A 61 126.147 10.548 2.486 1.00 0.42 O ATOM 962 CB GLU A 61 126.803 11.571 5.550 1.00 0.48 C ATOM 963 CG GLU A 61 126.444 12.823 4.747 1.00 1.29 C ATOM 964 CD GLU A 61 126.923 14.065 5.503 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.342 13.919 6.639 1.00 2.37 O ATOM 966 OE2 GLU A 61 126.858 15.143 4.933 1.00 2.32 O ATOM 0 H GLU A 61 127.175 9.281 6.450 1.00 0.41 H new ATOM 0 HA GLU A 61 125.123 10.448 4.819 1.00 0.44 H new ATOM 0 HB2 GLU A 61 126.423 11.658 6.568 1.00 0.48 H new ATOM 0 HB3 GLU A 61 127.886 11.471 5.622 1.00 0.48 H new ATOM 0 HG2 GLU A 61 126.908 12.782 3.761 1.00 1.29 H new ATOM 0 HG3 GLU A 61 125.366 12.872 4.590 1.00 1.29 H new ATOM 973 N TRP A 62 127.960 9.665 3.345 1.00 0.40 N ATOM 974 CA TRP A 62 128.567 9.496 1.995 1.00 0.38 C ATOM 975 C TRP A 62 127.740 8.530 1.140 1.00 0.36 C ATOM 976 O TRP A 62 127.412 8.815 0.008 1.00 0.36 O ATOM 977 CB TRP A 62 129.993 8.943 2.139 1.00 0.38 C ATOM 978 CG TRP A 62 130.514 8.545 0.791 1.00 0.36 C ATOM 979 CD1 TRP A 62 131.089 9.378 -0.105 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.484 7.227 0.167 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.423 8.653 -1.237 1.00 0.37 N ATOM 982 CE2 TRP A 62 131.071 7.322 -1.116 1.00 0.35 C ATOM 983 CE3 TRP A 62 130.013 5.969 0.591 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.186 6.209 -1.951 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.128 4.850 -0.247 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.713 4.968 -1.515 1.00 0.32 C ATOM 0 H TRP A 62 128.535 9.345 4.124 1.00 0.40 H new ATOM 0 HA TRP A 62 128.588 10.469 1.505 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.643 9.696 2.584 1.00 0.38 H new ATOM 0 HB3 TRP A 62 129.995 8.084 2.810 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.260 10.435 0.038 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.874 9.053 -2.060 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.561 5.865 1.566 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.637 6.306 -2.927 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.763 3.890 0.088 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.798 4.102 -2.154 1.00 0.32 H new ATOM 997 N LEU A 63 127.410 7.388 1.669 1.00 0.34 N ATOM 998 CA LEU A 63 126.622 6.406 0.877 1.00 0.32 C ATOM 999 C LEU A 63 125.217 6.956 0.620 1.00 0.33 C ATOM 1000 O LEU A 63 124.738 6.969 -0.497 1.00 0.32 O ATOM 1001 CB LEU A 63 126.539 5.091 1.663 1.00 0.31 C ATOM 1002 CG LEU A 63 125.732 4.044 0.883 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.398 3.756 -0.473 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.671 2.755 1.711 1.00 0.32 C ATOM 0 H LEU A 63 127.651 7.092 2.615 1.00 0.34 H new ATOM 0 HA LEU A 63 127.106 6.228 -0.083 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.543 4.713 1.857 1.00 0.31 H new ATOM 0 HB3 LEU A 63 126.073 5.269 2.632 1.00 0.31 H new ATOM 0 HG LEU A 63 124.726 4.422 0.701 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.814 3.012 -1.014 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.446 4.675 -1.057 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.407 3.377 -0.310 1.00 0.30 H new ATOM 0 HD21 LEU A 63 125.100 2.001 1.169 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.682 2.388 1.887 1.00 0.32 H new ATOM 0 HD23 LEU A 63 125.187 2.959 2.666 1.00 0.32 H new ATOM 1016 N LYS A 64 124.562 7.418 1.646 1.00 0.35 N ATOM 1017 CA LYS A 64 123.192 7.980 1.473 1.00 0.37 C ATOM 1018 C LYS A 64 123.238 9.194 0.545 1.00 0.39 C ATOM 1019 O LYS A 64 122.449 9.327 -0.369 1.00 0.39 O ATOM 1020 CB LYS A 64 122.625 8.391 2.841 1.00 0.41 C ATOM 1021 CG LYS A 64 121.229 9.049 2.671 1.00 0.43 C ATOM 1022 CD LYS A 64 121.344 10.592 2.679 1.00 0.68 C ATOM 1023 CE LYS A 64 121.213 11.124 4.112 1.00 1.25 C ATOM 1024 NZ LYS A 64 122.175 10.412 5.000 1.00 2.11 N ATOM 0 H LYS A 64 124.917 7.431 2.602 1.00 0.35 H new ATOM 0 HA LYS A 64 122.548 7.220 1.030 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.546 7.517 3.487 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.306 9.088 3.330 1.00 0.41 H new ATOM 0 HG2 LYS A 64 120.778 8.718 1.736 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.569 8.725 3.475 1.00 0.43 H new ATOM 0 HD2 LYS A 64 122.302 10.895 2.257 1.00 0.68 H new ATOM 0 HD3 LYS A 64 120.567 11.025 2.050 1.00 0.68 H new ATOM 0 HE2 LYS A 64 121.409 12.196 4.132 1.00 1.25 H new ATOM 0 HE3 LYS A 64 120.195 10.980 4.473 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 122.195 10.874 5.932 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 121.877 9.422 5.111 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 123.125 10.443 4.578 1.00 2.11 H new ATOM 1038 N ASP A 65 124.161 10.084 0.784 1.00 0.41 N ATOM 1039 CA ASP A 65 124.276 11.301 -0.067 1.00 0.45 C ATOM 1040 C ASP A 65 124.744 10.911 -1.470 1.00 0.43 C ATOM 1041 O ASP A 65 124.450 11.581 -2.441 1.00 0.46 O ATOM 1042 CB ASP A 65 125.290 12.262 0.561 1.00 0.49 C ATOM 1043 CG ASP A 65 125.243 13.607 -0.164 1.00 1.17 C ATOM 1044 OD1 ASP A 65 125.093 13.602 -1.374 1.00 1.90 O ATOM 1045 OD2 ASP A 65 125.369 14.620 0.503 1.00 1.42 O ATOM 0 H ASP A 65 124.845 10.020 1.538 1.00 0.41 H new ATOM 0 HA ASP A 65 123.303 11.787 -0.137 1.00 0.45 H new ATOM 0 HB2 ASP A 65 125.067 12.400 1.619 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.293 11.839 0.499 1.00 0.49 H new ATOM 1050 N THR A 66 125.502 9.853 -1.581 1.00 0.40 N ATOM 1051 CA THR A 66 126.024 9.440 -2.915 1.00 0.39 C ATOM 1052 C THR A 66 124.971 8.672 -3.718 1.00 0.39 C ATOM 1053 O THR A 66 124.970 8.741 -4.932 1.00 0.41 O ATOM 1054 CB THR A 66 127.264 8.560 -2.726 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.290 9.322 -2.105 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.760 8.059 -4.086 1.00 0.39 C ATOM 0 H THR A 66 125.783 9.256 -0.803 1.00 0.40 H new ATOM 0 HA THR A 66 126.282 10.341 -3.472 1.00 0.39 H new ATOM 0 HB THR A 66 127.006 7.706 -2.100 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.000 9.592 -1.209 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.642 7.434 -3.944 1.00 0.39 H new ATOM 0 HG22 THR A 66 126.975 7.475 -4.567 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.017 8.911 -4.716 1.00 0.39 H new ATOM 1064 N CYS A 67 124.101 7.905 -3.090 1.00 0.37 N ATOM 1065 CA CYS A 67 123.097 7.109 -3.876 1.00 0.38 C ATOM 1066 C CYS A 67 121.679 7.272 -3.325 1.00 0.37 C ATOM 1067 O CYS A 67 120.712 7.155 -4.052 1.00 0.40 O ATOM 1068 CB CYS A 67 123.483 5.630 -3.804 1.00 0.37 C ATOM 1069 SG CYS A 67 123.557 5.111 -2.071 1.00 0.36 S ATOM 0 H CYS A 67 124.044 7.797 -2.077 1.00 0.37 H new ATOM 0 HA CYS A 67 123.104 7.474 -4.903 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.755 5.026 -4.345 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.449 5.471 -4.284 1.00 0.37 H new ATOM 0 HG CYS A 67 124.171 6.019 -1.372 1.00 0.36 H new ATOM 1075 N GLY A 68 121.542 7.525 -2.046 1.00 0.36 N ATOM 1076 CA GLY A 68 120.179 7.677 -1.441 1.00 0.36 C ATOM 1077 C GLY A 68 119.862 6.435 -0.605 1.00 0.34 C ATOM 1078 O GLY A 68 118.733 6.210 -0.219 1.00 0.34 O ATOM 0 H GLY A 68 122.317 7.633 -1.392 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.142 8.570 -0.817 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.432 7.804 -2.224 1.00 0.36 H new ATOM 1082 N ALA A 69 120.848 5.627 -0.312 1.00 0.33 N ATOM 1083 CA ALA A 69 120.595 4.407 0.507 1.00 0.32 C ATOM 1084 C ALA A 69 119.851 4.799 1.784 1.00 0.31 C ATOM 1085 O ALA A 69 119.958 5.914 2.256 1.00 0.32 O ATOM 1086 CB ALA A 69 121.930 3.757 0.877 1.00 0.32 C ATOM 0 H ALA A 69 121.816 5.760 -0.605 1.00 0.33 H new ATOM 0 HA ALA A 69 119.992 3.702 -0.066 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.747 2.865 1.476 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.464 3.480 -0.032 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.531 4.462 1.451 1.00 0.32 H new ATOM 1092 N ASN A 70 119.091 3.897 2.348 1.00 0.30 N ATOM 1093 CA ASN A 70 118.338 4.227 3.596 1.00 0.30 C ATOM 1094 C ASN A 70 119.191 3.882 4.818 1.00 0.30 C ATOM 1095 O ASN A 70 120.235 3.270 4.711 1.00 0.29 O ATOM 1096 CB ASN A 70 117.036 3.423 3.640 1.00 0.30 C ATOM 1097 CG ASN A 70 116.063 3.968 2.592 1.00 1.06 C ATOM 1098 OD1 ASN A 70 116.201 5.087 2.142 1.00 1.90 O ATOM 1099 ND2 ASN A 70 115.073 3.219 2.186 1.00 1.77 N ATOM 0 H ASN A 70 118.959 2.947 2.000 1.00 0.30 H new ATOM 0 HA ASN A 70 118.107 5.292 3.604 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.240 2.370 3.449 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.591 3.486 4.633 1.00 0.30 H new ATOM 0 HD21 ASN A 70 114.416 3.574 1.491 1.00 1.77 H new ATOM 0 HD22 ASN A 70 114.957 2.279 2.564 1.00 1.77 H new ATOM 1106 N ALA A 71 118.758 4.292 5.977 1.00 0.32 N ATOM 1107 CA ALA A 71 119.538 4.019 7.216 1.00 0.34 C ATOM 1108 C ALA A 71 119.709 2.511 7.428 1.00 0.32 C ATOM 1109 O ALA A 71 120.701 2.070 7.966 1.00 0.32 O ATOM 1110 CB ALA A 71 118.802 4.612 8.417 1.00 0.39 C ATOM 0 H ALA A 71 117.890 4.809 6.120 1.00 0.32 H new ATOM 0 HA ALA A 71 120.523 4.474 7.114 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.370 4.414 9.326 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.695 5.688 8.283 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.815 4.157 8.500 1.00 0.39 H new ATOM 1116 N LYS A 72 118.758 1.714 7.026 1.00 0.30 N ATOM 1117 CA LYS A 72 118.907 0.245 7.241 1.00 0.29 C ATOM 1118 C LYS A 72 119.963 -0.312 6.286 1.00 0.27 C ATOM 1119 O LYS A 72 120.749 -1.167 6.643 1.00 0.27 O ATOM 1120 CB LYS A 72 117.562 -0.454 6.992 1.00 0.29 C ATOM 1121 CG LYS A 72 116.635 -0.264 8.201 1.00 1.18 C ATOM 1122 CD LYS A 72 116.186 1.198 8.292 1.00 1.29 C ATOM 1123 CE LYS A 72 115.033 1.316 9.287 1.00 2.11 C ATOM 1124 NZ LYS A 72 114.751 2.756 9.548 1.00 2.58 N ATOM 0 H LYS A 72 117.897 2.008 6.565 1.00 0.30 H new ATOM 0 HA LYS A 72 119.221 0.063 8.269 1.00 0.29 H new ATOM 0 HB2 LYS A 72 117.092 -0.047 6.097 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.724 -1.517 6.812 1.00 0.29 H new ATOM 0 HG2 LYS A 72 115.766 -0.915 8.109 1.00 1.18 H new ATOM 0 HG3 LYS A 72 117.153 -0.552 9.116 1.00 1.18 H new ATOM 0 HD2 LYS A 72 117.019 1.826 8.608 1.00 1.29 H new ATOM 0 HD3 LYS A 72 115.872 1.555 7.311 1.00 1.29 H new ATOM 0 HE2 LYS A 72 114.144 0.826 8.890 1.00 2.11 H new ATOM 0 HE3 LYS A 72 115.288 0.809 10.218 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 113.966 2.839 10.225 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 115.599 3.210 9.944 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 114.491 3.226 8.657 1.00 2.58 H new ATOM 1138 N GLN A 73 119.973 0.152 5.069 1.00 0.26 N ATOM 1139 CA GLN A 73 120.957 -0.359 4.079 1.00 0.25 C ATOM 1140 C GLN A 73 122.370 0.068 4.470 1.00 0.25 C ATOM 1141 O GLN A 73 123.319 -0.675 4.310 1.00 0.25 O ATOM 1142 CB GLN A 73 120.622 0.195 2.690 1.00 0.26 C ATOM 1143 CG GLN A 73 119.270 -0.356 2.226 1.00 0.29 C ATOM 1144 CD GLN A 73 119.367 -1.870 2.022 1.00 1.24 C ATOM 1145 OE1 GLN A 73 118.545 -2.615 2.518 1.00 2.12 O ATOM 1146 NE2 GLN A 73 120.343 -2.359 1.310 1.00 1.88 N ATOM 0 H GLN A 73 119.338 0.868 4.716 1.00 0.26 H new ATOM 0 HA GLN A 73 120.908 -1.448 4.062 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.591 1.284 2.720 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.401 -0.082 1.980 1.00 0.26 H new ATOM 0 HG2 GLN A 73 118.502 -0.128 2.965 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.971 0.127 1.296 1.00 0.29 H new ATOM 0 HE21 GLN A 73 121.033 -1.734 0.893 1.00 1.88 H new ATOM 0 HE22 GLN A 73 120.417 -3.367 1.169 1.00 1.88 H new ATOM 1155 N SER A 74 122.523 1.263 4.970 1.00 0.26 N ATOM 1156 CA SER A 74 123.878 1.732 5.354 1.00 0.27 C ATOM 1157 C SER A 74 124.382 0.943 6.566 1.00 0.26 C ATOM 1158 O SER A 74 125.547 0.612 6.655 1.00 0.26 O ATOM 1159 CB SER A 74 123.823 3.221 5.695 1.00 0.30 C ATOM 1160 OG SER A 74 123.376 3.382 7.034 1.00 1.36 O ATOM 0 H SER A 74 121.769 1.931 5.128 1.00 0.26 H new ATOM 0 HA SER A 74 124.562 1.574 4.520 1.00 0.27 H new ATOM 0 HB2 SER A 74 124.809 3.670 5.572 1.00 0.30 H new ATOM 0 HB3 SER A 74 123.150 3.738 5.011 1.00 0.30 H new ATOM 0 HG SER A 74 122.518 2.924 7.150 1.00 1.36 H new ATOM 1166 N ARG A 75 123.521 0.624 7.501 1.00 0.27 N ATOM 1167 CA ARG A 75 123.970 -0.153 8.691 1.00 0.28 C ATOM 1168 C ARG A 75 124.525 -1.501 8.237 1.00 0.26 C ATOM 1169 O ARG A 75 125.495 -1.988 8.784 1.00 0.27 O ATOM 1170 CB ARG A 75 122.798 -0.355 9.657 1.00 0.30 C ATOM 1171 CG ARG A 75 122.501 0.967 10.369 1.00 0.33 C ATOM 1172 CD ARG A 75 121.311 0.795 11.315 1.00 0.61 C ATOM 1173 NE ARG A 75 121.026 2.090 11.995 1.00 1.34 N ATOM 1174 CZ ARG A 75 119.866 2.288 12.559 1.00 1.81 C ATOM 1175 NH1 ARG A 75 118.953 1.356 12.518 1.00 1.88 N ATOM 1176 NH2 ARG A 75 119.618 3.421 13.158 1.00 2.80 N ATOM 0 H ARG A 75 122.531 0.868 7.489 1.00 0.27 H new ATOM 0 HA ARG A 75 124.754 0.398 9.210 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.917 -0.695 9.113 1.00 0.30 H new ATOM 0 HB3 ARG A 75 123.041 -1.128 10.386 1.00 0.30 H new ATOM 0 HG2 ARG A 75 123.377 1.293 10.929 1.00 0.33 H new ATOM 0 HG3 ARG A 75 122.284 1.744 9.636 1.00 0.33 H new ATOM 0 HD2 ARG A 75 120.435 0.464 10.758 1.00 0.61 H new ATOM 0 HD3 ARG A 75 121.529 0.024 12.054 1.00 0.61 H new ATOM 0 HE ARG A 75 121.737 2.821 12.020 1.00 1.34 H new ATOM 0 HH11 ARG A 75 119.146 0.473 12.045 1.00 1.88 H new ATOM 0 HH12 ARG A 75 118.046 1.511 12.959 1.00 1.88 H new ATOM 0 HH21 ARG A 75 120.331 4.150 13.185 1.00 2.80 H new ATOM 0 HH22 ARG A 75 118.712 3.577 13.599 1.00 2.80 H new ATOM 1190 N ASP A 76 123.927 -2.129 7.258 1.00 0.25 N ATOM 1191 CA ASP A 76 124.425 -3.454 6.798 1.00 0.24 C ATOM 1192 C ASP A 76 125.783 -3.303 6.119 1.00 0.23 C ATOM 1193 O ASP A 76 126.666 -4.114 6.311 1.00 0.23 O ATOM 1194 CB ASP A 76 123.423 -4.062 5.811 1.00 0.24 C ATOM 1195 CG ASP A 76 122.161 -4.489 6.561 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.283 -4.881 7.710 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.093 -4.417 5.975 1.00 0.39 O ATOM 0 H ASP A 76 123.111 -1.777 6.757 1.00 0.25 H new ATOM 0 HA ASP A 76 124.534 -4.110 7.662 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.171 -3.335 5.039 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.868 -4.921 5.308 1.00 0.24 H new ATOM 1202 N CYS A 77 125.976 -2.276 5.340 1.00 0.22 N ATOM 1203 CA CYS A 77 127.297 -2.102 4.681 1.00 0.22 C ATOM 1204 C CYS A 77 128.348 -1.772 5.742 1.00 0.22 C ATOM 1205 O CYS A 77 129.464 -2.244 5.683 1.00 0.21 O ATOM 1206 CB CYS A 77 127.212 -0.958 3.667 1.00 0.23 C ATOM 1207 SG CYS A 77 126.186 -1.468 2.267 1.00 0.24 S ATOM 0 H CYS A 77 125.283 -1.557 5.133 1.00 0.22 H new ATOM 0 HA CYS A 77 127.576 -3.021 4.165 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.788 -0.071 4.138 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.210 -0.689 3.321 1.00 0.23 H new ATOM 0 HG CYS A 77 126.033 -2.759 2.289 1.00 0.24 H new ATOM 1213 N PHE A 78 128.016 -0.961 6.710 1.00 0.23 N ATOM 1214 CA PHE A 78 129.027 -0.616 7.746 1.00 0.25 C ATOM 1215 C PHE A 78 129.494 -1.885 8.455 1.00 0.24 C ATOM 1216 O PHE A 78 130.661 -2.223 8.442 1.00 0.23 O ATOM 1217 CB PHE A 78 128.402 0.340 8.764 1.00 0.29 C ATOM 1218 CG PHE A 78 129.417 0.681 9.831 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.269 1.778 9.662 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.498 -0.096 10.993 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.205 2.097 10.654 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.433 0.224 11.985 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.286 1.319 11.816 1.00 0.43 C ATOM 0 H PHE A 78 127.100 -0.528 6.827 1.00 0.23 H new ATOM 0 HA PHE A 78 129.883 -0.136 7.271 1.00 0.25 H new ATOM 0 HB2 PHE A 78 128.065 1.249 8.265 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.524 -0.119 9.217 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.205 2.379 8.767 1.00 0.36 H new ATOM 0 HD2 PHE A 78 128.839 -0.942 11.124 1.00 0.38 H new ATOM 0 HE1 PHE A 78 131.864 2.943 10.523 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.495 -0.375 12.881 1.00 0.43 H new ATOM 0 HZ PHE A 78 132.007 1.565 12.581 1.00 0.43 H new ATOM 1233 N GLY A 79 128.592 -2.589 9.081 1.00 0.25 N ATOM 1234 CA GLY A 79 128.978 -3.834 9.801 1.00 0.26 C ATOM 1235 C GLY A 79 129.545 -4.862 8.818 1.00 0.24 C ATOM 1236 O GLY A 79 130.440 -5.612 9.137 1.00 0.24 O ATOM 0 H GLY A 79 127.600 -2.354 9.125 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.720 -3.605 10.566 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.110 -4.250 10.313 1.00 0.26 H new ATOM 1240 N CYS A 80 129.041 -4.898 7.623 1.00 0.22 N ATOM 1241 CA CYS A 80 129.573 -5.882 6.640 1.00 0.22 C ATOM 1242 C CYS A 80 130.975 -5.464 6.200 1.00 0.22 C ATOM 1243 O CYS A 80 131.891 -6.263 6.185 1.00 0.23 O ATOM 1244 CB CYS A 80 128.645 -5.951 5.430 1.00 0.22 C ATOM 1245 SG CYS A 80 129.217 -7.250 4.307 1.00 0.25 S ATOM 0 H CYS A 80 128.291 -4.297 7.282 1.00 0.22 H new ATOM 0 HA CYS A 80 129.626 -6.866 7.106 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.624 -6.157 5.752 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.629 -4.991 4.915 1.00 0.22 H new ATOM 0 HG CYS A 80 129.295 -6.776 3.099 1.00 0.25 H new ATOM 1251 N LEU A 81 131.168 -4.216 5.871 1.00 0.21 N ATOM 1252 CA LEU A 81 132.536 -3.782 5.476 1.00 0.21 C ATOM 1253 C LEU A 81 133.428 -3.796 6.723 1.00 0.22 C ATOM 1254 O LEU A 81 134.577 -4.192 6.674 1.00 0.22 O ATOM 1255 CB LEU A 81 132.472 -2.358 4.912 1.00 0.22 C ATOM 1256 CG LEU A 81 131.558 -2.312 3.673 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.101 -0.872 3.429 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.317 -2.801 2.435 1.00 0.28 C ATOM 0 H LEU A 81 130.451 -3.490 5.858 1.00 0.21 H new ATOM 0 HA LEU A 81 132.940 -4.452 4.718 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.097 -1.675 5.674 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.474 -2.020 4.646 1.00 0.22 H new ATOM 0 HG LEU A 81 130.697 -2.957 3.851 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.454 -0.839 2.552 1.00 0.30 H new ATOM 0 HD12 LEU A 81 130.552 -0.512 4.299 1.00 0.30 H new ATOM 0 HD13 LEU A 81 131.971 -0.237 3.262 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.659 -2.763 1.567 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.183 -2.161 2.263 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.650 -3.827 2.594 1.00 0.28 H new ATOM 1270 N ARG A 82 132.906 -3.357 7.840 1.00 0.22 N ATOM 1271 CA ARG A 82 133.719 -3.334 9.092 1.00 0.24 C ATOM 1272 C ARG A 82 134.088 -4.755 9.515 1.00 0.25 C ATOM 1273 O ARG A 82 135.188 -5.008 9.965 1.00 0.26 O ATOM 1274 CB ARG A 82 132.924 -2.666 10.216 1.00 0.28 C ATOM 1275 CG ARG A 82 133.768 -2.648 11.493 1.00 0.33 C ATOM 1276 CD ARG A 82 133.062 -1.820 12.567 1.00 0.84 C ATOM 1277 NE ARG A 82 133.788 -1.974 13.858 1.00 1.41 N ATOM 1278 CZ ARG A 82 133.544 -1.159 14.847 1.00 1.95 C ATOM 1279 NH1 ARG A 82 132.656 -0.213 14.709 1.00 2.25 N ATOM 1280 NH2 ARG A 82 134.187 -1.291 15.975 1.00 2.73 N ATOM 0 H ARG A 82 131.951 -3.013 7.938 1.00 0.22 H new ATOM 0 HA ARG A 82 134.631 -2.769 8.900 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.654 -1.649 9.931 1.00 0.28 H new ATOM 0 HB3 ARG A 82 131.993 -3.206 10.389 1.00 0.28 H new ATOM 0 HG2 ARG A 82 133.926 -3.666 11.850 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.752 -2.227 11.284 1.00 0.33 H new ATOM 0 HD2 ARG A 82 133.034 -0.770 12.274 1.00 0.84 H new ATOM 0 HD3 ARG A 82 132.028 -2.148 12.676 1.00 0.84 H new ATOM 0 HE ARG A 82 134.477 -2.718 13.969 1.00 1.41 H new ATOM 0 HH11 ARG A 82 132.153 -0.111 13.828 1.00 2.25 H new ATOM 0 HH12 ARG A 82 132.465 0.424 15.482 1.00 2.25 H new ATOM 0 HH21 ARG A 82 134.880 -2.031 16.083 1.00 2.73 H new ATOM 0 HH22 ARG A 82 133.996 -0.654 16.748 1.00 2.73 H new ATOM 1294 N GLU A 83 133.184 -5.686 9.389 1.00 0.25 N ATOM 1295 CA GLU A 83 133.499 -7.081 9.801 1.00 0.28 C ATOM 1296 C GLU A 83 134.531 -7.679 8.850 1.00 0.27 C ATOM 1297 O GLU A 83 135.420 -8.392 9.268 1.00 0.29 O ATOM 1298 CB GLU A 83 132.227 -7.931 9.797 1.00 0.30 C ATOM 1299 CG GLU A 83 131.361 -7.565 11.008 1.00 0.33 C ATOM 1300 CD GLU A 83 132.017 -8.088 12.287 1.00 1.19 C ATOM 1301 OE1 GLU A 83 132.874 -8.949 12.180 1.00 1.91 O ATOM 1302 OE2 GLU A 83 131.650 -7.618 13.351 1.00 1.56 O ATOM 0 H GLU A 83 132.244 -5.542 9.020 1.00 0.25 H new ATOM 0 HA GLU A 83 133.909 -7.069 10.811 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.670 -7.765 8.875 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.485 -8.990 9.828 1.00 0.30 H new ATOM 0 HG2 GLU A 83 131.239 -6.483 11.066 1.00 0.33 H new ATOM 0 HG3 GLU A 83 130.365 -7.993 10.898 1.00 0.33 H new ATOM 1309 N TRP A 84 134.455 -7.385 7.579 1.00 0.25 N ATOM 1310 CA TRP A 84 135.474 -7.934 6.648 1.00 0.25 C ATOM 1311 C TRP A 84 136.838 -7.424 7.110 1.00 0.27 C ATOM 1312 O TRP A 84 137.796 -8.162 7.207 1.00 0.28 O ATOM 1313 CB TRP A 84 135.199 -7.446 5.225 1.00 0.25 C ATOM 1314 CG TRP A 84 136.156 -8.111 4.292 1.00 0.27 C ATOM 1315 CD1 TRP A 84 135.912 -9.262 3.626 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.503 -7.701 3.922 1.00 0.30 C ATOM 1317 NE1 TRP A 84 137.022 -9.584 2.868 1.00 0.33 N ATOM 1318 CE2 TRP A 84 138.030 -8.653 3.017 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.311 -6.606 4.279 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.312 -8.526 2.485 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.605 -6.475 3.745 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.105 -7.433 2.851 1.00 0.37 C ATOM 0 H TRP A 84 133.740 -6.796 7.153 1.00 0.25 H new ATOM 0 HA TRP A 84 135.445 -9.024 6.649 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.173 -7.676 4.939 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.310 -6.363 5.170 1.00 0.25 H new ATOM 0 HD1 TRP A 84 134.999 -9.836 3.678 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.088 -10.409 2.271 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.935 -5.863 4.966 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.690 -9.266 1.795 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.218 -5.631 4.025 1.00 0.35 H new ATOM 0 HH2 TRP A 84 141.100 -7.327 2.446 1.00 0.37 H new ATOM 1333 N CYS A 85 136.921 -6.159 7.414 1.00 0.27 N ATOM 1334 CA CYS A 85 138.213 -5.595 7.885 1.00 0.30 C ATOM 1335 C CYS A 85 138.624 -6.312 9.174 1.00 0.33 C ATOM 1336 O CYS A 85 139.777 -6.630 9.385 1.00 0.36 O ATOM 1337 CB CYS A 85 138.036 -4.098 8.161 1.00 0.33 C ATOM 1338 SG CYS A 85 137.850 -3.215 6.592 1.00 0.33 S ATOM 0 H CYS A 85 136.150 -5.493 7.356 1.00 0.27 H new ATOM 0 HA CYS A 85 138.984 -5.734 7.127 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.161 -3.934 8.789 1.00 0.33 H new ATOM 0 HB3 CYS A 85 138.897 -3.713 8.707 1.00 0.33 H new ATOM 0 HG CYS A 85 136.627 -3.337 6.168 1.00 0.33 H new ATOM 1344 N ASP A 86 137.680 -6.578 10.032 1.00 0.34 N ATOM 1345 CA ASP A 86 137.992 -7.283 11.307 1.00 0.39 C ATOM 1346 C ASP A 86 138.587 -8.660 11.004 1.00 0.41 C ATOM 1347 O ASP A 86 139.471 -9.131 11.690 1.00 0.43 O ATOM 1348 CB ASP A 86 136.713 -7.456 12.124 1.00 0.41 C ATOM 1349 CG ASP A 86 136.253 -6.095 12.646 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.079 -5.198 12.708 1.00 0.55 O ATOM 1351 OD2 ASP A 86 135.084 -5.970 12.968 1.00 0.51 O ATOM 0 H ASP A 86 136.698 -6.335 9.904 1.00 0.34 H new ATOM 0 HA ASP A 86 138.711 -6.693 11.874 1.00 0.39 H new ATOM 0 HB2 ASP A 86 135.933 -7.904 11.508 1.00 0.41 H new ATOM 0 HB3 ASP A 86 136.890 -8.136 12.957 1.00 0.41 H new ATOM 1356 N ALA A 87 138.091 -9.319 9.987 1.00 0.41 N ATOM 1357 CA ALA A 87 138.607 -10.678 9.649 1.00 0.43 C ATOM 1358 C ALA A 87 139.826 -10.560 8.735 1.00 0.43 C ATOM 1359 O ALA A 87 140.756 -11.337 8.829 1.00 0.48 O ATOM 1360 CB ALA A 87 137.511 -11.472 8.936 1.00 0.41 C ATOM 0 H ALA A 87 137.351 -8.973 9.377 1.00 0.41 H new ATOM 0 HA ALA A 87 138.897 -11.191 10.566 1.00 0.43 H new ATOM 0 HB1 ALA A 87 137.884 -12.465 8.688 1.00 0.41 H new ATOM 0 HB2 ALA A 87 136.644 -11.563 9.590 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.223 -10.954 8.022 1.00 0.41 H new ATOM 1366 N PHE A 88 139.825 -9.608 7.835 1.00 0.40 N ATOM 1367 CA PHE A 88 140.980 -9.455 6.896 1.00 0.44 C ATOM 1368 C PHE A 88 141.855 -8.280 7.323 1.00 0.54 C ATOM 1369 O PHE A 88 142.845 -8.447 8.006 1.00 1.24 O ATOM 1370 CB PHE A 88 140.455 -9.177 5.486 1.00 0.41 C ATOM 1371 CG PHE A 88 139.795 -10.413 4.925 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.554 -11.345 4.209 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.423 -10.626 5.113 1.00 0.35 C ATOM 1374 CE1 PHE A 88 139.945 -12.487 3.682 1.00 0.47 C ATOM 1375 CE2 PHE A 88 137.814 -11.768 4.584 1.00 0.40 C ATOM 1376 CZ PHE A 88 138.574 -12.698 3.870 1.00 0.45 C ATOM 0 H PHE A 88 139.074 -8.929 7.710 1.00 0.40 H new ATOM 0 HA PHE A 88 141.566 -10.374 6.911 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.741 -8.354 5.511 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.275 -8.868 4.838 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.612 -11.182 4.063 1.00 0.44 H new ATOM 0 HD2 PHE A 88 137.836 -9.908 5.666 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.532 -13.206 3.130 1.00 0.47 H new ATOM 0 HE2 PHE A 88 136.756 -11.931 4.727 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.103 -13.581 3.463 1.00 0.45 H new ATOM 1454 N SER B 4 163.311 -2.516 0.910 1.00 0.63 N ATOM 1455 CA SER B 4 163.744 -2.674 2.327 1.00 0.62 C ATOM 1456 C SER B 4 162.980 -3.835 2.966 1.00 0.60 C ATOM 1457 O SER B 4 161.996 -4.320 2.442 1.00 0.58 O ATOM 1458 CB SER B 4 163.450 -1.383 3.093 1.00 0.63 C ATOM 1459 OG SER B 4 163.772 -1.568 4.465 1.00 1.50 O ATOM 0 HA SER B 4 164.813 -2.882 2.362 1.00 0.62 H new ATOM 0 HB2 SER B 4 164.032 -0.560 2.679 1.00 0.63 H new ATOM 0 HB3 SER B 4 162.399 -1.115 2.987 1.00 0.63 H new ATOM 0 HG SER B 4 163.586 -0.742 4.959 1.00 1.50 H new ATOM 1465 N GLN B 5 163.454 -4.292 4.094 1.00 0.63 N ATOM 1466 CA GLN B 5 162.805 -5.437 4.791 1.00 0.64 C ATOM 1467 C GLN B 5 161.356 -5.085 5.133 1.00 0.60 C ATOM 1468 O GLN B 5 160.504 -5.947 5.224 1.00 0.60 O ATOM 1469 CB GLN B 5 163.580 -5.738 6.079 1.00 0.71 C ATOM 1470 CG GLN B 5 162.952 -6.933 6.798 1.00 1.34 C ATOM 1471 CD GLN B 5 163.763 -7.259 8.053 1.00 1.59 C ATOM 1472 OE1 GLN B 5 164.876 -6.798 8.207 1.00 2.09 O ATOM 1473 NE2 GLN B 5 163.245 -8.032 8.969 1.00 2.18 N ATOM 0 H GLN B 5 164.275 -3.914 4.567 1.00 0.63 H new ATOM 0 HA GLN B 5 162.811 -6.312 4.141 1.00 0.64 H new ATOM 0 HB2 GLN B 5 164.623 -5.951 5.845 1.00 0.71 H new ATOM 0 HB3 GLN B 5 163.572 -4.865 6.731 1.00 0.71 H new ATOM 0 HG2 GLN B 5 161.920 -6.707 7.068 1.00 1.34 H new ATOM 0 HG3 GLN B 5 162.926 -7.797 6.134 1.00 1.34 H new ATOM 0 HE21 GLN B 5 162.310 -8.420 8.840 1.00 2.18 H new ATOM 0 HE22 GLN B 5 163.775 -8.248 9.813 1.00 2.18 H new ATOM 1482 N LYS B 6 161.068 -3.828 5.331 1.00 0.59 N ATOM 1483 CA LYS B 6 159.679 -3.419 5.673 1.00 0.57 C ATOM 1484 C LYS B 6 158.731 -3.837 4.545 1.00 0.51 C ATOM 1485 O LYS B 6 157.605 -4.226 4.786 1.00 0.50 O ATOM 1486 CB LYS B 6 159.637 -1.898 5.835 1.00 0.58 C ATOM 1487 CG LYS B 6 160.450 -1.497 7.067 1.00 0.66 C ATOM 1488 CD LYS B 6 160.410 0.024 7.232 1.00 0.80 C ATOM 1489 CE LYS B 6 161.224 0.426 8.464 1.00 1.25 C ATOM 1490 NZ LYS B 6 162.661 0.091 8.244 1.00 2.01 N ATOM 0 H LYS B 6 161.740 -3.063 5.270 1.00 0.59 H new ATOM 0 HA LYS B 6 159.369 -3.900 6.601 1.00 0.57 H new ATOM 0 HB2 LYS B 6 160.041 -1.415 4.945 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.606 -1.561 5.940 1.00 0.58 H new ATOM 0 HG2 LYS B 6 160.045 -1.981 7.956 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.481 -1.835 6.961 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.814 0.508 6.343 1.00 0.80 H new ATOM 0 HD3 LYS B 6 159.379 0.362 7.338 1.00 0.80 H new ATOM 0 HE2 LYS B 6 161.114 1.494 8.653 1.00 1.25 H new ATOM 0 HE3 LYS B 6 160.850 -0.094 9.346 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 163.248 0.622 8.918 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 162.806 -0.929 8.387 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 162.932 0.346 7.273 1.00 2.01 H new ATOM 1504 N HIS B 7 159.165 -3.750 3.320 1.00 0.49 N ATOM 1505 CA HIS B 7 158.270 -4.132 2.191 1.00 0.45 C ATOM 1506 C HIS B 7 157.839 -5.592 2.337 1.00 0.45 C ATOM 1507 O HIS B 7 156.670 -5.914 2.248 1.00 0.43 O ATOM 1508 CB HIS B 7 159.020 -3.939 0.862 1.00 0.45 C ATOM 1509 CG HIS B 7 158.291 -4.637 -0.263 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.504 -3.954 -1.181 1.00 0.39 N ATOM 1511 CD2 HIS B 7 158.229 -5.961 -0.628 1.00 0.45 C ATOM 1512 CE1 HIS B 7 157.008 -4.863 -2.045 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.420 -6.096 -1.749 1.00 0.42 N ATOM 0 H HIS B 7 160.096 -3.433 3.051 1.00 0.49 H new ATOM 0 HA HIS B 7 157.382 -3.501 2.203 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.111 -2.876 0.640 1.00 0.45 H new ATOM 0 HB3 HIS B 7 160.032 -4.334 0.948 1.00 0.45 H new ATOM 0 HD2 HIS B 7 158.732 -6.771 -0.121 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.358 -4.622 -2.873 1.00 0.38 H new ATOM 0 HE2 HIS B 7 157.189 -6.958 -2.243 1.00 0.42 H new ATOM 1521 N ARG B 8 158.772 -6.486 2.547 1.00 0.48 N ATOM 1522 CA ARG B 8 158.423 -7.923 2.684 1.00 0.50 C ATOM 1523 C ARG B 8 157.682 -8.159 3.995 1.00 0.51 C ATOM 1524 O ARG B 8 156.799 -8.987 4.077 1.00 0.51 O ATOM 1525 CB ARG B 8 159.703 -8.756 2.673 1.00 0.55 C ATOM 1526 CG ARG B 8 160.323 -8.716 1.278 1.00 0.57 C ATOM 1527 CD ARG B 8 161.594 -9.564 1.267 1.00 1.00 C ATOM 1528 NE ARG B 8 162.233 -9.476 -0.076 1.00 1.70 N ATOM 1529 CZ ARG B 8 163.456 -9.897 -0.243 1.00 2.29 C ATOM 1530 NH1 ARG B 8 164.114 -10.401 0.764 1.00 2.43 N ATOM 1531 NH2 ARG B 8 164.019 -9.815 -1.417 1.00 3.23 N ATOM 0 H ARG B 8 159.767 -6.275 2.629 1.00 0.48 H new ATOM 0 HA ARG B 8 157.781 -8.215 1.853 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.409 -8.368 3.408 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.482 -9.785 2.955 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.614 -9.093 0.541 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.555 -7.688 1.000 1.00 0.57 H new ATOM 0 HD2 ARG B 8 162.285 -9.215 2.035 1.00 1.00 H new ATOM 0 HD3 ARG B 8 161.355 -10.601 1.501 1.00 1.00 H new ATOM 0 HE ARG B 8 161.715 -9.087 -0.864 1.00 1.70 H new ATOM 0 HH11 ARG B 8 163.672 -10.466 1.681 1.00 2.43 H new ATOM 0 HH12 ARG B 8 165.071 -10.731 0.635 1.00 2.43 H new ATOM 0 HH21 ARG B 8 163.503 -9.422 -2.204 1.00 3.23 H new ATOM 0 HH22 ARG B 8 164.976 -10.144 -1.548 1.00 3.23 H new ATOM 1545 N ASP B 9 158.027 -7.437 5.021 1.00 0.52 N ATOM 1546 CA ASP B 9 157.332 -7.631 6.320 1.00 0.54 C ATOM 1547 C ASP B 9 155.886 -7.167 6.195 1.00 0.49 C ATOM 1548 O ASP B 9 154.983 -7.766 6.737 1.00 0.48 O ATOM 1549 CB ASP B 9 158.024 -6.833 7.427 1.00 0.61 C ATOM 1550 CG ASP B 9 159.379 -7.461 7.748 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.640 -8.547 7.255 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.123 -6.857 8.502 1.00 0.76 O ATOM 0 H ASP B 9 158.757 -6.724 5.017 1.00 0.52 H new ATOM 0 HA ASP B 9 157.364 -8.690 6.578 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.158 -5.798 7.112 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.400 -6.816 8.320 1.00 0.61 H new ATOM 1557 N PHE B 10 155.661 -6.093 5.498 1.00 0.46 N ATOM 1558 CA PHE B 10 154.269 -5.587 5.364 1.00 0.43 C ATOM 1559 C PHE B 10 153.397 -6.663 4.700 1.00 0.37 C ATOM 1560 O PHE B 10 152.314 -6.964 5.159 1.00 0.36 O ATOM 1561 CB PHE B 10 154.284 -4.317 4.512 1.00 0.45 C ATOM 1562 CG PHE B 10 152.938 -3.638 4.587 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.663 -2.765 5.646 1.00 0.44 C ATOM 1564 CD2 PHE B 10 151.975 -3.869 3.600 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.422 -2.123 5.719 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.733 -3.228 3.672 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.456 -2.355 4.732 1.00 0.43 C ATOM 0 H PHE B 10 156.375 -5.545 5.017 1.00 0.46 H new ATOM 0 HA PHE B 10 153.856 -5.357 6.346 1.00 0.43 H new ATOM 0 HB2 PHE B 10 155.063 -3.641 4.864 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.520 -4.565 3.477 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.409 -2.587 6.407 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.189 -4.542 2.783 1.00 0.43 H new ATOM 0 HE1 PHE B 10 151.209 -1.449 6.536 1.00 0.44 H new ATOM 0 HE2 PHE B 10 149.988 -3.406 2.910 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.497 -1.861 4.788 1.00 0.43 H new ATOM 1577 N VAL B 11 153.860 -7.242 3.625 1.00 0.37 N ATOM 1578 CA VAL B 11 153.059 -8.299 2.931 1.00 0.35 C ATOM 1579 C VAL B 11 153.279 -9.668 3.599 1.00 0.36 C ATOM 1580 O VAL B 11 152.862 -10.687 3.084 1.00 0.37 O ATOM 1581 CB VAL B 11 153.499 -8.383 1.465 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.407 -6.997 0.817 1.00 0.44 C ATOM 1583 CG2 VAL B 11 154.944 -8.885 1.396 1.00 0.40 C ATOM 0 H VAL B 11 154.760 -7.030 3.194 1.00 0.37 H new ATOM 0 HA VAL B 11 152.003 -8.038 2.995 1.00 0.35 H new ATOM 0 HB VAL B 11 152.846 -9.073 0.931 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.721 -7.061 -0.225 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.378 -6.640 0.865 1.00 0.44 H new ATOM 0 HG13 VAL B 11 154.057 -6.303 1.349 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.259 -8.945 0.354 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.595 -8.195 1.932 1.00 0.40 H new ATOM 0 HG23 VAL B 11 155.008 -9.873 1.852 1.00 0.40 H new ATOM 1593 N ALA B 12 153.923 -9.703 4.743 1.00 0.41 N ATOM 1594 CA ALA B 12 154.158 -11.013 5.443 1.00 0.47 C ATOM 1595 C ALA B 12 153.136 -11.227 6.564 1.00 0.45 C ATOM 1596 O ALA B 12 152.922 -12.336 7.011 1.00 0.48 O ATOM 1597 CB ALA B 12 155.557 -11.026 6.056 1.00 0.53 C ATOM 0 H ALA B 12 154.296 -8.884 5.223 1.00 0.41 H new ATOM 0 HA ALA B 12 154.056 -11.810 4.707 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.724 -11.977 6.562 1.00 0.53 H new ATOM 0 HB2 ALA B 12 156.300 -10.899 5.269 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.647 -10.212 6.775 1.00 0.53 H new ATOM 1603 N GLU B 13 152.494 -10.186 7.021 1.00 0.42 N ATOM 1604 CA GLU B 13 151.482 -10.351 8.106 1.00 0.43 C ATOM 1605 C GLU B 13 150.505 -9.165 8.050 1.00 0.39 C ATOM 1606 O GLU B 13 150.870 -8.097 7.600 1.00 0.36 O ATOM 1607 CB GLU B 13 152.204 -10.421 9.470 1.00 0.46 C ATOM 1608 CG GLU B 13 152.665 -9.030 9.933 1.00 0.48 C ATOM 1609 CD GLU B 13 153.577 -8.409 8.877 1.00 0.62 C ATOM 1610 OE1 GLU B 13 154.736 -8.783 8.835 1.00 1.27 O ATOM 1611 OE2 GLU B 13 153.103 -7.565 8.136 1.00 1.04 O ATOM 0 H GLU B 13 152.625 -9.230 6.691 1.00 0.42 H new ATOM 0 HA GLU B 13 150.919 -11.275 7.974 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.535 -10.851 10.216 1.00 0.46 H new ATOM 0 HB3 GLU B 13 153.065 -11.085 9.394 1.00 0.46 H new ATOM 0 HG2 GLU B 13 151.801 -8.388 10.103 1.00 0.48 H new ATOM 0 HG3 GLU B 13 153.194 -9.110 10.882 1.00 0.48 H new ATOM 1618 N PRO B 14 149.279 -9.330 8.498 1.00 0.42 N ATOM 1619 CA PRO B 14 148.277 -8.227 8.487 1.00 0.40 C ATOM 1620 C PRO B 14 148.921 -6.867 8.788 1.00 0.36 C ATOM 1621 O PRO B 14 149.916 -6.786 9.480 1.00 0.36 O ATOM 1622 CB PRO B 14 147.306 -8.643 9.591 1.00 0.45 C ATOM 1623 CG PRO B 14 147.300 -10.141 9.536 1.00 0.49 C ATOM 1624 CD PRO B 14 148.704 -10.568 9.062 1.00 0.48 C ATOM 0 HA PRO B 14 147.799 -8.095 7.517 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.634 -8.282 10.566 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.310 -8.235 9.419 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.076 -10.564 10.515 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.533 -10.501 8.850 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.306 -10.948 9.887 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.650 -11.360 8.315 1.00 0.48 H new ATOM 1632 N MET B 15 148.378 -5.802 8.258 1.00 0.35 N ATOM 1633 CA MET B 15 148.984 -4.456 8.499 1.00 0.34 C ATOM 1634 C MET B 15 148.391 -3.817 9.761 1.00 0.35 C ATOM 1635 O MET B 15 148.994 -2.961 10.372 1.00 0.37 O ATOM 1636 CB MET B 15 148.731 -3.556 7.283 1.00 0.36 C ATOM 1637 CG MET B 15 147.230 -3.445 7.014 1.00 0.40 C ATOM 1638 SD MET B 15 146.959 -2.901 5.306 1.00 0.56 S ATOM 1639 CE MET B 15 146.865 -1.121 5.623 1.00 0.42 C ATOM 0 H MET B 15 147.544 -5.804 7.671 1.00 0.35 H new ATOM 0 HA MET B 15 150.058 -4.572 8.646 1.00 0.34 H new ATOM 0 HB2 MET B 15 149.151 -2.566 7.460 1.00 0.36 H new ATOM 0 HB3 MET B 15 149.236 -3.964 6.407 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.748 -4.408 7.181 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.777 -2.737 7.708 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.823 -0.584 4.675 1.00 0.42 H new ATOM 0 HE2 MET B 15 145.969 -0.902 6.204 1.00 0.42 H new ATOM 0 HE3 MET B 15 147.746 -0.804 6.181 1.00 0.42 H new ATOM 1649 N GLY B 16 147.219 -4.232 10.166 1.00 0.36 N ATOM 1650 CA GLY B 16 146.603 -3.655 11.400 1.00 0.39 C ATOM 1651 C GLY B 16 146.559 -2.126 11.317 1.00 0.38 C ATOM 1652 O GLY B 16 146.160 -1.559 10.320 1.00 0.37 O ATOM 0 H GLY B 16 146.661 -4.945 9.696 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.594 -4.047 11.526 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.176 -3.961 12.276 1.00 0.39 H new ATOM 1656 N GLU B 17 146.940 -1.456 12.381 1.00 0.40 N ATOM 1657 CA GLU B 17 146.901 0.044 12.410 1.00 0.41 C ATOM 1658 C GLU B 17 148.318 0.618 12.402 1.00 0.38 C ATOM 1659 O GLU B 17 148.586 1.629 13.020 1.00 0.39 O ATOM 1660 CB GLU B 17 146.196 0.505 13.687 1.00 0.46 C ATOM 1661 CG GLU B 17 144.706 0.174 13.604 1.00 0.50 C ATOM 1662 CD GLU B 17 144.010 0.638 14.885 1.00 0.55 C ATOM 1663 OE1 GLU B 17 144.711 1.004 15.816 1.00 0.73 O ATOM 1664 OE2 GLU B 17 142.791 0.619 14.915 1.00 0.84 O ATOM 0 H GLU B 17 147.280 -1.889 13.240 1.00 0.40 H new ATOM 0 HA GLU B 17 146.365 0.395 11.528 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.639 0.016 14.555 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.333 1.578 13.822 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.261 0.664 12.738 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.567 -0.899 13.470 1.00 0.50 H new ATOM 1671 N LYS B 18 149.234 -0.008 11.719 1.00 0.36 N ATOM 1672 CA LYS B 18 150.620 0.530 11.704 1.00 0.35 C ATOM 1673 C LYS B 18 150.568 1.963 11.154 1.00 0.31 C ATOM 1674 O LYS B 18 149.721 2.281 10.343 1.00 0.30 O ATOM 1675 CB LYS B 18 151.501 -0.337 10.802 1.00 0.35 C ATOM 1676 CG LYS B 18 151.714 -1.702 11.463 1.00 0.45 C ATOM 1677 CD LYS B 18 152.536 -2.619 10.535 1.00 1.16 C ATOM 1678 CE LYS B 18 154.033 -2.407 10.782 1.00 1.44 C ATOM 1679 NZ LYS B 18 154.818 -3.172 9.772 1.00 2.02 N ATOM 0 H LYS B 18 149.085 -0.859 11.177 1.00 0.36 H new ATOM 0 HA LYS B 18 151.039 0.525 12.710 1.00 0.35 H new ATOM 0 HB2 LYS B 18 151.031 -0.462 9.827 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.461 0.152 10.633 1.00 0.35 H new ATOM 0 HG2 LYS B 18 152.231 -1.577 12.414 1.00 0.45 H new ATOM 0 HG3 LYS B 18 150.751 -2.163 11.682 1.00 0.45 H new ATOM 0 HD2 LYS B 18 152.273 -3.662 10.714 1.00 1.16 H new ATOM 0 HD3 LYS B 18 152.297 -2.405 9.493 1.00 1.16 H new ATOM 0 HE2 LYS B 18 154.276 -1.346 10.719 1.00 1.44 H new ATOM 0 HE3 LYS B 18 154.296 -2.735 11.787 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 155.834 -3.028 9.940 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 154.594 -4.184 9.852 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 154.574 -2.838 8.818 1.00 2.02 H new ATOM 1693 N PRO B 19 151.439 2.837 11.606 1.00 0.31 N ATOM 1694 CA PRO B 19 151.440 4.260 11.154 1.00 0.29 C ATOM 1695 C PRO B 19 151.635 4.385 9.642 1.00 0.25 C ATOM 1696 O PRO B 19 152.214 3.530 9.003 1.00 0.23 O ATOM 1697 CB PRO B 19 152.605 4.908 11.932 1.00 0.32 C ATOM 1698 CG PRO B 19 153.456 3.766 12.399 1.00 0.32 C ATOM 1699 CD PRO B 19 152.514 2.575 12.577 1.00 0.34 C ATOM 0 HA PRO B 19 150.486 4.749 11.351 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.173 5.587 11.296 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.237 5.494 12.774 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.236 3.540 11.672 1.00 0.32 H new ATOM 0 HG3 PRO B 19 153.955 4.011 13.337 1.00 0.32 H new ATOM 0 HD2 PRO B 19 153.018 1.631 12.372 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.129 2.516 13.595 1.00 0.34 H new ATOM 1707 N VAL B 20 151.144 5.446 9.069 1.00 0.24 N ATOM 1708 CA VAL B 20 151.284 5.633 7.602 1.00 0.22 C ATOM 1709 C VAL B 20 152.757 5.545 7.201 1.00 0.21 C ATOM 1710 O VAL B 20 153.108 4.953 6.200 1.00 0.22 O ATOM 1711 CB VAL B 20 150.721 7.003 7.217 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.514 8.101 7.927 1.00 0.32 C ATOM 1713 CG2 VAL B 20 150.830 7.190 5.701 1.00 0.28 C ATOM 0 H VAL B 20 150.650 6.194 9.556 1.00 0.24 H new ATOM 0 HA VAL B 20 150.733 4.850 7.081 1.00 0.22 H new ATOM 0 HB VAL B 20 149.675 7.063 7.516 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.112 9.076 7.652 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.435 7.967 9.006 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.561 8.043 7.630 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.429 8.165 5.425 1.00 0.28 H new ATOM 0 HG22 VAL B 20 151.876 7.129 5.401 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.262 6.408 5.196 1.00 0.28 H new ATOM 1723 N GLY B 21 153.620 6.148 7.979 1.00 0.22 N ATOM 1724 CA GLY B 21 155.076 6.129 7.658 1.00 0.21 C ATOM 1725 C GLY B 21 155.603 4.692 7.671 1.00 0.19 C ATOM 1726 O GLY B 21 156.753 4.447 7.362 1.00 0.19 O ATOM 0 H GLY B 21 153.374 6.656 8.829 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.246 6.577 6.679 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.623 6.731 8.383 1.00 0.21 H new ATOM 1730 N SER B 22 154.783 3.736 8.015 1.00 0.20 N ATOM 1731 CA SER B 22 155.258 2.321 8.029 1.00 0.20 C ATOM 1732 C SER B 22 155.175 1.747 6.614 1.00 0.19 C ATOM 1733 O SER B 22 155.829 0.776 6.288 1.00 0.20 O ATOM 1734 CB SER B 22 154.381 1.492 8.967 1.00 0.23 C ATOM 1735 OG SER B 22 154.852 0.151 8.984 1.00 1.24 O ATOM 0 H SER B 22 153.809 3.872 8.286 1.00 0.20 H new ATOM 0 HA SER B 22 156.290 2.288 8.379 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.406 1.911 9.973 1.00 0.23 H new ATOM 0 HB3 SER B 22 153.343 1.521 8.635 1.00 0.23 H new ATOM 0 HG SER B 22 155.522 0.048 9.692 1.00 1.24 H new ATOM 1741 N LEU B 23 154.368 2.335 5.772 1.00 0.18 N ATOM 1742 CA LEU B 23 154.237 1.818 4.380 1.00 0.18 C ATOM 1743 C LEU B 23 155.577 1.943 3.657 1.00 0.18 C ATOM 1744 O LEU B 23 156.269 2.936 3.767 1.00 0.18 O ATOM 1745 CB LEU B 23 153.187 2.636 3.624 1.00 0.19 C ATOM 1746 CG LEU B 23 151.787 2.338 4.178 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.795 3.340 3.580 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.356 0.899 3.820 1.00 0.24 C ATOM 0 H LEU B 23 153.794 3.150 5.988 1.00 0.18 H new ATOM 0 HA LEU B 23 153.934 0.772 4.416 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.406 3.700 3.719 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.225 2.397 2.561 1.00 0.19 H new ATOM 0 HG LEU B 23 151.803 2.430 5.264 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.796 3.138 3.967 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.092 4.353 3.853 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.790 3.243 2.494 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.361 0.707 4.221 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.339 0.783 2.736 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.064 0.190 4.249 1.00 0.24 H new ATOM 1760 N ALA B 24 155.941 0.938 2.918 1.00 0.18 N ATOM 1761 CA ALA B 24 157.232 0.986 2.182 1.00 0.19 C ATOM 1762 C ALA B 24 157.205 2.126 1.159 1.00 0.19 C ATOM 1763 O ALA B 24 156.250 2.305 0.430 1.00 0.20 O ATOM 1764 CB ALA B 24 157.450 -0.342 1.459 1.00 0.21 C ATOM 0 H ALA B 24 155.400 0.083 2.791 1.00 0.18 H new ATOM 0 HA ALA B 24 158.044 1.158 2.888 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.396 -0.311 0.918 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.475 -1.153 2.187 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.635 -0.511 0.755 1.00 0.21 H new ATOM 1770 N GLY B 25 158.255 2.898 1.117 1.00 0.20 N ATOM 1771 CA GLY B 25 158.321 4.043 0.155 1.00 0.21 C ATOM 1772 C GLY B 25 157.910 5.327 0.877 1.00 0.20 C ATOM 1773 O GLY B 25 158.185 6.420 0.422 1.00 0.22 O ATOM 0 H GLY B 25 159.077 2.787 1.710 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.331 4.142 -0.243 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.661 3.860 -0.693 1.00 0.21 H new ATOM 1777 N ILE B 26 157.261 5.204 2.006 1.00 0.20 N ATOM 1778 CA ILE B 26 156.837 6.414 2.777 1.00 0.21 C ATOM 1779 C ILE B 26 157.825 6.619 3.926 1.00 0.23 C ATOM 1780 O ILE B 26 157.906 5.806 4.826 1.00 0.25 O ATOM 1781 CB ILE B 26 155.430 6.189 3.345 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.461 5.809 2.213 1.00 0.22 C ATOM 1783 CG2 ILE B 26 154.937 7.466 4.029 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.535 6.834 1.073 1.00 0.24 C ATOM 0 H ILE B 26 157.004 4.313 2.430 1.00 0.20 H new ATOM 0 HA ILE B 26 156.824 7.291 2.130 1.00 0.21 H new ATOM 0 HB ILE B 26 155.469 5.379 4.073 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.707 4.817 1.834 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.443 5.759 2.599 1.00 0.22 H new ATOM 0 HG21 ILE B 26 153.937 7.301 4.431 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.615 7.729 4.841 1.00 0.24 H new ATOM 0 HG23 ILE B 26 154.907 8.279 3.304 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.842 6.548 0.281 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.266 7.820 1.452 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.549 6.863 0.675 1.00 0.24 H new ATOM 1796 N GLY B 27 158.577 7.690 3.921 1.00 0.24 N ATOM 1797 CA GLY B 27 159.551 7.926 5.030 1.00 0.27 C ATOM 1798 C GLY B 27 158.912 8.819 6.098 1.00 0.28 C ATOM 1799 O GLY B 27 157.778 9.237 5.976 1.00 0.27 O ATOM 0 H GLY B 27 158.559 8.410 3.199 1.00 0.24 H new ATOM 0 HA2 GLY B 27 159.853 6.976 5.470 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.453 8.398 4.640 1.00 0.27 H new ATOM 1803 N GLU B 28 159.627 9.097 7.153 1.00 0.30 N ATOM 1804 CA GLU B 28 159.049 9.945 8.235 1.00 0.32 C ATOM 1805 C GLU B 28 158.586 11.286 7.657 1.00 0.32 C ATOM 1806 O GLU B 28 157.556 11.807 8.035 1.00 0.35 O ATOM 1807 CB GLU B 28 160.097 10.201 9.322 1.00 0.36 C ATOM 1808 CG GLU B 28 160.531 8.873 9.943 1.00 0.39 C ATOM 1809 CD GLU B 28 161.575 9.138 11.029 1.00 1.27 C ATOM 1810 OE1 GLU B 28 161.916 10.294 11.225 1.00 2.00 O ATOM 1811 OE2 GLU B 28 162.016 8.184 11.647 1.00 1.64 O ATOM 0 H GLU B 28 160.582 8.776 7.313 1.00 0.30 H new ATOM 0 HA GLU B 28 158.198 9.421 8.670 1.00 0.32 H new ATOM 0 HB2 GLU B 28 160.960 10.713 8.896 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.686 10.855 10.090 1.00 0.36 H new ATOM 0 HG2 GLU B 28 159.669 8.359 10.369 1.00 0.39 H new ATOM 0 HG3 GLU B 28 160.946 8.218 9.176 1.00 0.39 H new ATOM 1818 N VAL B 29 159.338 11.858 6.757 1.00 0.31 N ATOM 1819 CA VAL B 29 158.927 13.172 6.181 1.00 0.33 C ATOM 1820 C VAL B 29 157.645 12.995 5.364 1.00 0.33 C ATOM 1821 O VAL B 29 156.729 13.786 5.450 1.00 0.35 O ATOM 1822 CB VAL B 29 160.047 13.707 5.279 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.549 14.926 4.493 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.247 14.105 6.141 1.00 0.35 C ATOM 0 H VAL B 29 160.213 11.477 6.397 1.00 0.31 H new ATOM 0 HA VAL B 29 158.743 13.882 6.988 1.00 0.33 H new ATOM 0 HB VAL B 29 160.345 12.929 4.576 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.350 15.300 3.855 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.698 14.638 3.876 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.244 15.708 5.189 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.044 14.485 5.502 1.00 0.35 H new ATOM 0 HG22 VAL B 29 160.947 14.880 6.847 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.606 13.234 6.689 1.00 0.35 H new ATOM 1834 N LEU B 30 157.577 11.967 4.564 1.00 0.32 N ATOM 1835 CA LEU B 30 156.359 11.744 3.734 1.00 0.33 C ATOM 1836 C LEU B 30 155.173 11.421 4.639 1.00 0.32 C ATOM 1837 O LEU B 30 154.061 11.845 4.398 1.00 0.33 O ATOM 1838 CB LEU B 30 156.593 10.575 2.772 1.00 0.33 C ATOM 1839 CG LEU B 30 157.716 10.918 1.783 1.00 0.35 C ATOM 1840 CD1 LEU B 30 157.988 9.698 0.897 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.305 12.117 0.903 1.00 0.40 C ATOM 0 H LEU B 30 158.313 11.271 4.449 1.00 0.32 H new ATOM 0 HA LEU B 30 156.148 12.648 3.163 1.00 0.33 H new ATOM 0 HB2 LEU B 30 156.855 9.679 3.334 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.675 10.353 2.228 1.00 0.33 H new ATOM 0 HG LEU B 30 158.616 11.184 2.337 1.00 0.35 H new ATOM 0 HD11 LEU B 30 158.785 9.932 0.191 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.291 8.856 1.520 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.082 9.437 0.349 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.110 12.350 0.206 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.403 11.866 0.345 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.111 12.983 1.536 1.00 0.40 H new ATOM 1853 N GLY B 31 155.402 10.674 5.678 1.00 0.33 N ATOM 1854 CA GLY B 31 154.286 10.327 6.596 1.00 0.34 C ATOM 1855 C GLY B 31 153.685 11.610 7.170 1.00 0.35 C ATOM 1856 O GLY B 31 152.487 11.724 7.338 1.00 0.36 O ATOM 0 H GLY B 31 156.312 10.289 5.932 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.523 9.762 6.061 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.648 9.689 7.402 1.00 0.34 H new ATOM 1860 N LYS B 32 154.508 12.572 7.484 1.00 0.35 N ATOM 1861 CA LYS B 32 153.987 13.843 8.060 1.00 0.37 C ATOM 1862 C LYS B 32 153.133 14.591 7.029 1.00 0.37 C ATOM 1863 O LYS B 32 152.119 15.170 7.365 1.00 0.38 O ATOM 1864 CB LYS B 32 155.161 14.728 8.481 1.00 0.40 C ATOM 1865 CG LYS B 32 155.851 14.110 9.698 1.00 1.18 C ATOM 1866 CD LYS B 32 157.027 14.991 10.123 1.00 1.36 C ATOM 1867 CE LYS B 32 157.713 14.369 11.341 1.00 2.07 C ATOM 1868 NZ LYS B 32 158.428 13.129 10.924 1.00 2.75 N ATOM 0 H LYS B 32 155.520 12.532 7.366 1.00 0.35 H new ATOM 0 HA LYS B 32 153.368 13.608 8.926 1.00 0.37 H new ATOM 0 HB2 LYS B 32 155.869 14.827 7.659 1.00 0.40 H new ATOM 0 HB3 LYS B 32 154.807 15.731 8.720 1.00 0.40 H new ATOM 0 HG2 LYS B 32 155.142 14.011 10.520 1.00 1.18 H new ATOM 0 HG3 LYS B 32 156.203 13.107 9.459 1.00 1.18 H new ATOM 0 HD2 LYS B 32 157.737 15.089 9.302 1.00 1.36 H new ATOM 0 HD3 LYS B 32 156.676 15.995 10.363 1.00 1.36 H new ATOM 0 HE2 LYS B 32 158.416 15.078 11.778 1.00 2.07 H new ATOM 0 HE3 LYS B 32 156.975 14.136 12.109 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 158.024 12.311 11.423 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 158.322 12.995 9.898 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 159.437 13.215 11.159 1.00 2.75 H new ATOM 1882 N LYS B 33 153.531 14.611 5.783 1.00 0.35 N ATOM 1883 CA LYS B 33 152.723 15.357 4.774 1.00 0.36 C ATOM 1884 C LYS B 33 151.383 14.645 4.563 1.00 0.34 C ATOM 1885 O LYS B 33 150.339 15.266 4.553 1.00 0.36 O ATOM 1886 CB LYS B 33 153.489 15.418 3.448 1.00 0.36 C ATOM 1887 CG LYS B 33 154.699 16.344 3.602 1.00 0.39 C ATOM 1888 CD LYS B 33 155.469 16.408 2.281 1.00 0.64 C ATOM 1889 CE LYS B 33 156.677 17.333 2.435 1.00 0.66 C ATOM 1890 NZ LYS B 33 157.494 17.295 1.190 1.00 1.56 N ATOM 0 H LYS B 33 154.368 14.150 5.425 1.00 0.35 H new ATOM 0 HA LYS B 33 152.541 16.370 5.132 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.816 14.419 3.158 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.836 15.783 2.655 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.371 17.342 3.892 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.350 15.979 4.397 1.00 0.39 H new ATOM 0 HD2 LYS B 33 155.797 15.410 1.991 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.818 16.773 1.486 1.00 0.64 H new ATOM 0 HE2 LYS B 33 156.345 18.352 2.634 1.00 0.66 H new ATOM 0 HE3 LYS B 33 157.280 17.022 3.288 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 157.832 18.253 0.967 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 158.309 16.664 1.329 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 156.912 16.941 0.404 1.00 1.56 H new ATOM 1904 N LEU B 34 151.397 13.348 4.420 1.00 0.32 N ATOM 1905 CA LEU B 34 150.114 12.608 4.242 1.00 0.31 C ATOM 1906 C LEU B 34 149.265 12.785 5.508 1.00 0.31 C ATOM 1907 O LEU B 34 148.063 12.952 5.454 1.00 0.32 O ATOM 1908 CB LEU B 34 150.407 11.120 4.011 1.00 0.28 C ATOM 1909 CG LEU B 34 151.143 10.922 2.675 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.779 9.530 2.652 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.160 11.039 1.495 1.00 0.33 C ATOM 0 H LEU B 34 152.237 12.770 4.419 1.00 0.32 H new ATOM 0 HA LEU B 34 149.573 12.998 3.380 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.013 10.730 4.829 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.475 10.555 4.008 1.00 0.28 H new ATOM 0 HG LEU B 34 151.909 11.692 2.579 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.302 9.385 1.707 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.487 9.440 3.476 1.00 0.29 H new ATOM 0 HD13 LEU B 34 151.002 8.773 2.757 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.698 10.896 0.558 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.386 10.277 1.589 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.699 12.027 1.502 1.00 0.33 H new ATOM 1923 N GLU B 35 149.902 12.740 6.644 1.00 0.31 N ATOM 1924 CA GLU B 35 149.150 12.897 7.925 1.00 0.34 C ATOM 1925 C GLU B 35 148.452 14.259 7.948 1.00 0.37 C ATOM 1926 O GLU B 35 147.320 14.382 8.371 1.00 0.39 O ATOM 1927 CB GLU B 35 150.116 12.784 9.109 1.00 0.35 C ATOM 1928 CG GLU B 35 149.346 12.946 10.423 1.00 0.92 C ATOM 1929 CD GLU B 35 150.297 12.718 11.600 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.421 12.310 11.358 1.00 1.35 O ATOM 1931 OE2 GLU B 35 149.884 12.954 12.724 1.00 1.68 O ATOM 0 H GLU B 35 150.908 12.602 6.744 1.00 0.31 H new ATOM 0 HA GLU B 35 148.400 12.110 8.002 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.620 11.817 9.089 1.00 0.35 H new ATOM 0 HB3 GLU B 35 150.890 13.548 9.033 1.00 0.35 H new ATOM 0 HG2 GLU B 35 148.910 13.943 10.481 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.521 12.235 10.464 1.00 0.92 H new ATOM 1938 N GLU B 36 149.117 15.282 7.486 1.00 0.39 N ATOM 1939 CA GLU B 36 148.491 16.633 7.468 1.00 0.44 C ATOM 1940 C GLU B 36 147.323 16.609 6.483 1.00 0.45 C ATOM 1941 O GLU B 36 146.439 17.441 6.519 1.00 0.49 O ATOM 1942 CB GLU B 36 149.527 17.670 7.022 1.00 0.46 C ATOM 1943 CG GLU B 36 148.913 19.072 7.082 1.00 1.11 C ATOM 1944 CD GLU B 36 149.950 20.104 6.635 1.00 1.38 C ATOM 1945 OE1 GLU B 36 151.103 19.731 6.490 1.00 1.85 O ATOM 1946 OE2 GLU B 36 149.575 21.248 6.445 1.00 1.99 O ATOM 0 H GLU B 36 150.068 15.240 7.120 1.00 0.39 H new ATOM 0 HA GLU B 36 148.133 16.898 8.463 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.406 17.620 7.665 1.00 0.46 H new ATOM 0 HB3 GLU B 36 149.861 17.452 6.008 1.00 0.46 H new ATOM 0 HG2 GLU B 36 148.034 19.123 6.440 1.00 1.11 H new ATOM 0 HG3 GLU B 36 148.580 19.291 8.096 1.00 1.11 H new ATOM 1953 N ARG B 37 147.325 15.652 5.600 1.00 0.42 N ATOM 1954 CA ARG B 37 146.229 15.556 4.594 1.00 0.45 C ATOM 1955 C ARG B 37 145.100 14.665 5.130 1.00 0.42 C ATOM 1956 O ARG B 37 144.137 14.392 4.440 1.00 0.43 O ATOM 1957 CB ARG B 37 146.789 14.976 3.292 1.00 0.45 C ATOM 1958 CG ARG B 37 147.706 16.007 2.618 1.00 0.52 C ATOM 1959 CD ARG B 37 146.890 17.221 2.126 1.00 0.86 C ATOM 1960 NE ARG B 37 147.461 17.716 0.833 1.00 1.42 N ATOM 1961 CZ ARG B 37 148.743 17.935 0.697 1.00 1.87 C ATOM 1962 NH1 ARG B 37 149.538 17.887 1.728 1.00 2.15 N ATOM 1963 NH2 ARG B 37 149.223 18.252 -0.475 1.00 2.68 N ATOM 0 H ARG B 37 148.041 14.929 5.530 1.00 0.42 H new ATOM 0 HA ARG B 37 145.824 16.549 4.401 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.345 14.062 3.499 1.00 0.45 H new ATOM 0 HB3 ARG B 37 145.973 14.708 2.621 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.470 16.337 3.322 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.225 15.546 1.777 1.00 0.52 H new ATOM 0 HD2 ARG B 37 145.846 16.940 1.991 1.00 0.86 H new ATOM 0 HD3 ARG B 37 146.912 18.014 2.873 1.00 0.86 H new ATOM 0 HE ARG B 37 146.838 17.886 0.043 1.00 1.42 H new ATOM 0 HH11 ARG B 37 149.162 17.677 2.653 1.00 2.15 H new ATOM 0 HH12 ARG B 37 150.536 18.059 1.611 1.00 2.15 H new ATOM 0 HH21 ARG B 37 148.599 18.328 -1.278 1.00 2.68 H new ATOM 0 HH22 ARG B 37 150.222 18.424 -0.587 1.00 2.68 H new ATOM 1977 N GLY B 38 145.187 14.245 6.372 1.00 0.41 N ATOM 1978 CA GLY B 38 144.089 13.413 6.969 1.00 0.39 C ATOM 1979 C GLY B 38 144.426 11.920 6.940 1.00 0.37 C ATOM 1980 O GLY B 38 143.585 11.095 7.236 1.00 0.49 O ATOM 0 H GLY B 38 145.969 14.441 6.997 1.00 0.41 H new ATOM 0 HA2 GLY B 38 143.915 13.726 7.998 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.163 13.587 6.422 1.00 0.39 H new ATOM 1984 N PHE B 39 145.637 11.551 6.602 1.00 0.31 N ATOM 1985 CA PHE B 39 146.008 10.097 6.572 1.00 0.28 C ATOM 1986 C PHE B 39 146.900 9.777 7.774 1.00 0.28 C ATOM 1987 O PHE B 39 148.097 9.617 7.644 1.00 0.28 O ATOM 1988 CB PHE B 39 146.796 9.818 5.298 1.00 0.27 C ATOM 1989 CG PHE B 39 145.935 10.074 4.086 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.766 11.381 3.626 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.322 9.010 3.415 1.00 0.27 C ATOM 1992 CE1 PHE B 39 144.980 11.631 2.495 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.534 9.258 2.283 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.363 10.570 1.824 1.00 0.32 C ATOM 0 H PHE B 39 146.387 12.193 6.345 1.00 0.31 H new ATOM 0 HA PHE B 39 145.105 9.487 6.605 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.682 10.452 5.264 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.143 8.785 5.295 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.242 12.201 4.143 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.456 7.999 3.769 1.00 0.27 H new ATOM 0 HE1 PHE B 39 144.850 12.643 2.141 1.00 0.33 H new ATOM 0 HE2 PHE B 39 144.059 8.438 1.765 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.755 10.763 0.952 1.00 0.32 H new ATOM 2004 N ASP B 40 146.332 9.710 8.946 1.00 0.30 N ATOM 2005 CA ASP B 40 147.162 9.429 10.154 1.00 0.31 C ATOM 2006 C ASP B 40 147.468 7.933 10.259 1.00 0.29 C ATOM 2007 O ASP B 40 148.278 7.523 11.068 1.00 0.30 O ATOM 2008 CB ASP B 40 146.411 9.888 11.406 1.00 0.35 C ATOM 2009 CG ASP B 40 145.084 9.136 11.516 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.640 8.606 10.510 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.532 9.104 12.604 1.00 0.41 O ATOM 0 H ASP B 40 145.335 9.837 9.121 1.00 0.30 H new ATOM 0 HA ASP B 40 148.103 9.972 10.068 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.018 9.706 12.293 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.229 10.962 11.359 1.00 0.35 H new ATOM 2016 N LYS B 41 146.835 7.112 9.455 1.00 0.28 N ATOM 2017 CA LYS B 41 147.103 5.636 9.518 1.00 0.28 C ATOM 2018 C LYS B 41 147.321 5.094 8.105 1.00 0.23 C ATOM 2019 O LYS B 41 146.859 5.653 7.130 1.00 0.23 O ATOM 2020 CB LYS B 41 145.909 4.919 10.154 1.00 0.33 C ATOM 2021 CG LYS B 41 145.666 5.439 11.579 1.00 0.47 C ATOM 2022 CD LYS B 41 146.711 4.871 12.548 1.00 0.74 C ATOM 2023 CE LYS B 41 146.305 5.207 13.984 1.00 0.71 C ATOM 2024 NZ LYS B 41 146.327 6.685 14.173 1.00 1.56 N ATOM 0 H LYS B 41 146.146 7.397 8.759 1.00 0.28 H new ATOM 0 HA LYS B 41 147.995 5.461 10.120 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.018 5.075 9.547 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.093 3.845 10.179 1.00 0.33 H new ATOM 0 HG2 LYS B 41 145.710 6.528 11.587 1.00 0.47 H new ATOM 0 HG3 LYS B 41 144.666 5.158 11.909 1.00 0.47 H new ATOM 0 HD2 LYS B 41 146.790 3.791 12.424 1.00 0.74 H new ATOM 0 HD3 LYS B 41 147.693 5.290 12.328 1.00 0.74 H new ATOM 0 HE2 LYS B 41 145.308 4.818 14.192 1.00 0.71 H new ATOM 0 HE3 LYS B 41 146.987 4.729 14.687 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 146.253 6.907 15.186 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 147.218 7.070 13.799 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 145.526 7.112 13.666 1.00 1.56 H new ATOM 2038 N ALA B 42 148.035 4.007 7.997 1.00 0.21 N ATOM 2039 CA ALA B 42 148.313 3.409 6.658 1.00 0.20 C ATOM 2040 C ALA B 42 147.021 2.929 5.989 1.00 0.18 C ATOM 2041 O ALA B 42 146.855 3.061 4.793 1.00 0.18 O ATOM 2042 CB ALA B 42 149.268 2.225 6.825 1.00 0.21 C ATOM 0 H ALA B 42 148.441 3.503 8.785 1.00 0.21 H new ATOM 0 HA ALA B 42 148.764 4.173 6.024 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.475 1.784 5.850 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.200 2.570 7.272 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.810 1.477 7.472 1.00 0.21 H new ATOM 2048 N TYR B 43 146.119 2.343 6.726 1.00 0.18 N ATOM 2049 CA TYR B 43 144.872 1.831 6.088 1.00 0.18 C ATOM 2050 C TYR B 43 144.134 2.961 5.357 1.00 0.17 C ATOM 2051 O TYR B 43 143.322 2.710 4.489 1.00 0.17 O ATOM 2052 CB TYR B 43 143.955 1.162 7.123 1.00 0.20 C ATOM 2053 CG TYR B 43 143.553 2.134 8.204 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.595 3.114 7.938 1.00 0.21 C ATOM 2055 CD2 TYR B 43 144.125 2.044 9.481 1.00 0.24 C ATOM 2056 CE1 TYR B 43 142.212 4.000 8.941 1.00 0.25 C ATOM 2057 CE2 TYR B 43 143.736 2.938 10.485 1.00 0.28 C ATOM 2058 CZ TYR B 43 142.779 3.917 10.215 1.00 0.27 C ATOM 2059 OH TYR B 43 142.392 4.799 11.203 1.00 0.32 O ATOM 0 H TYR B 43 146.189 2.197 7.733 1.00 0.18 H new ATOM 0 HA TYR B 43 145.155 1.076 5.355 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.064 0.776 6.628 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.467 0.309 7.569 1.00 0.20 H new ATOM 0 HD1 TYR B 43 142.152 3.185 6.956 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.865 1.286 9.690 1.00 0.24 H new ATOM 0 HE1 TYR B 43 141.471 4.757 8.733 1.00 0.25 H new ATOM 0 HE2 TYR B 43 144.176 2.870 11.469 1.00 0.28 H new ATOM 0 HH TYR B 43 142.471 4.365 12.078 1.00 0.32 H new ATOM 2069 N VAL B 44 144.417 4.202 5.666 1.00 0.18 N ATOM 2070 CA VAL B 44 143.731 5.315 4.939 1.00 0.18 C ATOM 2071 C VAL B 44 144.423 5.493 3.585 1.00 0.17 C ATOM 2072 O VAL B 44 143.811 5.818 2.587 1.00 0.17 O ATOM 2073 CB VAL B 44 143.838 6.623 5.739 1.00 0.20 C ATOM 2074 CG1 VAL B 44 142.987 7.714 5.071 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.335 6.399 7.165 1.00 0.24 C ATOM 0 H VAL B 44 145.085 4.491 6.381 1.00 0.18 H new ATOM 0 HA VAL B 44 142.676 5.075 4.808 1.00 0.18 H new ATOM 0 HB VAL B 44 144.881 6.938 5.764 1.00 0.20 H new ATOM 0 HG11 VAL B 44 143.067 8.639 5.643 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.344 7.883 4.055 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.945 7.395 5.041 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.413 7.329 7.728 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.294 6.077 7.137 1.00 0.24 H new ATOM 0 HG23 VAL B 44 143.939 5.631 7.648 1.00 0.24 H new ATOM 2085 N VAL B 45 145.709 5.271 3.568 1.00 0.17 N ATOM 2086 CA VAL B 45 146.489 5.410 2.307 1.00 0.17 C ATOM 2087 C VAL B 45 146.247 4.170 1.449 1.00 0.15 C ATOM 2088 O VAL B 45 146.078 4.256 0.248 1.00 0.15 O ATOM 2089 CB VAL B 45 147.979 5.526 2.636 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.798 5.472 1.346 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.243 6.853 3.353 1.00 0.20 C ATOM 0 H VAL B 45 146.257 4.996 4.383 1.00 0.17 H new ATOM 0 HA VAL B 45 146.175 6.304 1.768 1.00 0.17 H new ATOM 0 HB VAL B 45 148.270 4.698 3.283 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.858 5.555 1.584 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.613 4.526 0.837 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.507 6.297 0.695 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.304 6.935 3.587 1.00 0.20 H new ATOM 0 HG22 VAL B 45 147.949 7.680 2.707 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.664 6.889 4.276 1.00 0.20 H new ATOM 2101 N LEU B 46 146.195 3.021 2.060 1.00 0.17 N ATOM 2102 CA LEU B 46 145.926 1.782 1.283 1.00 0.17 C ATOM 2103 C LEU B 46 144.562 1.942 0.615 1.00 0.17 C ATOM 2104 O LEU B 46 144.349 1.537 -0.510 1.00 0.17 O ATOM 2105 CB LEU B 46 145.924 0.577 2.236 1.00 0.22 C ATOM 2106 CG LEU B 46 145.425 -0.691 1.526 1.00 0.25 C ATOM 2107 CD1 LEU B 46 146.300 -1.001 0.308 1.00 0.40 C ATOM 2108 CD2 LEU B 46 145.490 -1.865 2.505 1.00 0.35 C ATOM 0 H LEU B 46 146.327 2.887 3.062 1.00 0.17 H new ATOM 0 HA LEU B 46 146.692 1.617 0.525 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.931 0.411 2.618 1.00 0.22 H new ATOM 0 HB3 LEU B 46 145.288 0.790 3.095 1.00 0.22 H new ATOM 0 HG LEU B 46 144.400 -0.533 1.191 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.933 -1.902 -0.184 1.00 0.40 H new ATOM 0 HD12 LEU B 46 146.261 -0.165 -0.390 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.330 -1.157 0.630 1.00 0.40 H new ATOM 0 HD21 LEU B 46 145.138 -2.771 2.011 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.519 -2.008 2.834 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.859 -1.654 3.369 1.00 0.35 H new ATOM 2120 N GLY B 47 143.639 2.544 1.315 1.00 0.17 N ATOM 2121 CA GLY B 47 142.281 2.755 0.745 1.00 0.18 C ATOM 2122 C GLY B 47 142.379 3.604 -0.525 1.00 0.17 C ATOM 2123 O GLY B 47 141.711 3.347 -1.505 1.00 0.18 O ATOM 0 H GLY B 47 143.770 2.900 2.262 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.819 1.795 0.517 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.642 3.250 1.476 1.00 0.18 H new ATOM 2127 N GLN B 48 143.212 4.614 -0.518 1.00 0.17 N ATOM 2128 CA GLN B 48 143.349 5.474 -1.729 1.00 0.18 C ATOM 2129 C GLN B 48 143.813 4.618 -2.908 1.00 0.17 C ATOM 2130 O GLN B 48 143.346 4.768 -4.016 1.00 0.18 O ATOM 2131 CB GLN B 48 144.365 6.588 -1.457 1.00 0.18 C ATOM 2132 CG GLN B 48 144.355 7.590 -2.615 1.00 0.22 C ATOM 2133 CD GLN B 48 143.021 8.343 -2.634 1.00 0.28 C ATOM 2134 OE1 GLN B 48 142.215 8.150 -3.524 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.749 9.193 -1.681 1.00 1.09 N ATOM 0 H GLN B 48 143.801 4.878 0.272 1.00 0.17 H new ATOM 0 HA GLN B 48 142.386 5.925 -1.969 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.122 7.095 -0.523 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.362 6.163 -1.339 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.180 8.294 -2.506 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.503 7.069 -3.561 1.00 0.22 H new ATOM 0 HE21 GLN B 48 143.425 9.355 -0.934 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.861 9.695 -1.683 1.00 1.09 H new ATOM 2144 N PHE B 49 144.712 3.704 -2.675 1.00 0.17 N ATOM 2145 CA PHE B 49 145.187 2.823 -3.781 1.00 0.17 C ATOM 2146 C PHE B 49 143.983 2.059 -4.330 1.00 0.18 C ATOM 2147 O PHE B 49 143.837 1.866 -5.521 1.00 0.19 O ATOM 2148 CB PHE B 49 146.222 1.843 -3.217 1.00 0.18 C ATOM 2149 CG PHE B 49 146.705 0.908 -4.302 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.478 1.399 -5.358 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.391 -0.457 -4.242 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.935 0.531 -6.355 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.847 -1.326 -5.239 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.620 -0.832 -6.296 1.00 0.27 C ATOM 0 H PHE B 49 145.140 3.528 -1.766 1.00 0.17 H new ATOM 0 HA PHE B 49 145.646 3.407 -4.579 1.00 0.17 H new ATOM 0 HB2 PHE B 49 147.065 2.394 -2.800 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.782 1.269 -2.402 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.723 2.450 -5.404 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.796 -0.838 -3.425 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.531 0.912 -7.171 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.603 -2.377 -5.193 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.973 -1.502 -7.066 1.00 0.27 H new ATOM 2164 N LEU B 50 143.128 1.629 -3.461 1.00 0.18 N ATOM 2165 CA LEU B 50 141.927 0.877 -3.920 1.00 0.20 C ATOM 2166 C LEU B 50 140.988 1.843 -4.652 1.00 0.21 C ATOM 2167 O LEU B 50 140.372 1.493 -5.639 1.00 0.23 O ATOM 2168 CB LEU B 50 141.208 0.268 -2.714 1.00 0.22 C ATOM 2169 CG LEU B 50 142.156 -0.676 -1.960 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.416 -1.280 -0.764 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.645 -1.802 -2.891 1.00 0.27 C ATOM 0 H LEU B 50 143.202 1.762 -2.452 1.00 0.18 H new ATOM 0 HA LEU B 50 142.227 0.075 -4.594 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.863 1.059 -2.048 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.324 -0.278 -3.044 1.00 0.22 H new ATOM 0 HG LEU B 50 143.022 -0.112 -1.613 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.084 -1.951 -0.224 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.088 -0.482 -0.098 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.548 -1.838 -1.117 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.316 -2.463 -2.342 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.789 -2.373 -3.252 1.00 0.27 H new ATOM 0 HD23 LEU B 50 143.176 -1.369 -3.738 1.00 0.27 H new ATOM 2183 N VAL B 51 140.865 3.049 -4.172 1.00 0.21 N ATOM 2184 CA VAL B 51 139.953 4.029 -4.835 1.00 0.23 C ATOM 2185 C VAL B 51 140.477 4.372 -6.237 1.00 0.23 C ATOM 2186 O VAL B 51 139.730 4.784 -7.104 1.00 0.25 O ATOM 2187 CB VAL B 51 139.852 5.302 -3.985 1.00 0.25 C ATOM 2188 CG1 VAL B 51 139.091 6.385 -4.761 1.00 0.28 C ATOM 2189 CG2 VAL B 51 139.099 4.986 -2.691 1.00 0.27 C ATOM 0 H VAL B 51 141.355 3.401 -3.350 1.00 0.21 H new ATOM 0 HA VAL B 51 138.962 3.585 -4.930 1.00 0.23 H new ATOM 0 HB VAL B 51 140.854 5.661 -3.752 1.00 0.25 H new ATOM 0 HG11 VAL B 51 139.022 7.287 -4.153 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.622 6.610 -5.686 1.00 0.28 H new ATOM 0 HG13 VAL B 51 138.088 6.028 -4.996 1.00 0.28 H new ATOM 0 HG21 VAL B 51 139.025 5.888 -2.084 1.00 0.27 H new ATOM 0 HG22 VAL B 51 138.098 4.627 -2.931 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.637 4.218 -2.135 1.00 0.27 H new ATOM 2199 N LEU B 52 141.754 4.215 -6.466 1.00 0.22 N ATOM 2200 CA LEU B 52 142.324 4.543 -7.812 1.00 0.23 C ATOM 2201 C LEU B 52 142.337 3.294 -8.702 1.00 0.23 C ATOM 2202 O LEU B 52 142.973 3.273 -9.736 1.00 0.24 O ATOM 2203 CB LEU B 52 143.748 5.084 -7.652 1.00 0.24 C ATOM 2204 CG LEU B 52 143.730 6.377 -6.819 1.00 0.25 C ATOM 2205 CD1 LEU B 52 145.167 6.863 -6.623 1.00 0.30 C ATOM 2206 CD2 LEU B 52 142.913 7.468 -7.539 1.00 0.27 C ATOM 0 H LEU B 52 142.429 3.874 -5.782 1.00 0.22 H new ATOM 0 HA LEU B 52 141.701 5.303 -8.284 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.377 4.338 -7.166 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.184 5.279 -8.632 1.00 0.24 H new ATOM 0 HG LEU B 52 143.268 6.174 -5.853 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.164 7.780 -6.033 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.742 6.098 -6.101 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.621 7.058 -7.595 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.910 8.377 -6.937 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.362 7.678 -8.510 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.889 7.122 -7.680 1.00 0.27 H new ATOM 2218 N LYS B 53 141.625 2.262 -8.334 1.00 0.23 N ATOM 2219 CA LYS B 53 141.586 1.041 -9.188 1.00 0.24 C ATOM 2220 C LYS B 53 143.001 0.606 -9.581 1.00 0.24 C ATOM 2221 O LYS B 53 143.246 0.236 -10.711 1.00 0.30 O ATOM 2222 CB LYS B 53 140.772 1.336 -10.449 1.00 0.29 C ATOM 2223 CG LYS B 53 139.296 1.500 -10.074 1.00 0.39 C ATOM 2224 CD LYS B 53 138.449 1.670 -11.342 1.00 0.48 C ATOM 2225 CE LYS B 53 138.803 2.986 -12.042 1.00 0.92 C ATOM 2226 NZ LYS B 53 137.690 3.378 -12.952 1.00 1.71 N ATOM 0 H LYS B 53 141.070 2.213 -7.480 1.00 0.23 H new ATOM 0 HA LYS B 53 141.122 0.232 -8.624 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.140 2.243 -10.929 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.888 0.525 -11.168 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.956 0.629 -9.513 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.171 2.366 -9.424 1.00 0.39 H new ATOM 0 HD2 LYS B 53 138.621 0.832 -12.018 1.00 0.48 H new ATOM 0 HD3 LYS B 53 137.390 1.660 -11.085 1.00 0.48 H new ATOM 0 HE2 LYS B 53 138.976 3.769 -11.303 1.00 0.92 H new ATOM 0 HE3 LYS B 53 139.727 2.872 -12.608 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 137.929 4.271 -13.428 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 137.546 2.634 -13.664 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 136.818 3.503 -12.400 1.00 1.71 H new ATOM 2240 N LYS B 54 143.930 0.645 -8.659 1.00 0.23 N ATOM 2241 CA LYS B 54 145.335 0.226 -8.954 1.00 0.26 C ATOM 2242 C LYS B 54 145.883 1.059 -10.115 1.00 0.28 C ATOM 2243 O LYS B 54 146.853 0.687 -10.745 1.00 0.34 O ATOM 2244 CB LYS B 54 145.367 -1.260 -9.344 1.00 0.36 C ATOM 2245 CG LYS B 54 144.823 -2.112 -8.194 1.00 0.67 C ATOM 2246 CD LYS B 54 144.860 -3.592 -8.592 1.00 0.83 C ATOM 2247 CE LYS B 54 144.307 -4.449 -7.448 1.00 1.41 C ATOM 2248 NZ LYS B 54 144.750 -5.860 -7.625 1.00 2.25 N ATOM 0 H LYS B 54 143.772 0.954 -7.700 1.00 0.23 H new ATOM 0 HA LYS B 54 145.946 0.381 -8.065 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.771 -1.422 -10.242 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.388 -1.561 -9.580 1.00 0.36 H new ATOM 0 HG2 LYS B 54 145.418 -1.951 -7.295 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.802 -1.813 -7.958 1.00 0.67 H new ATOM 0 HD2 LYS B 54 144.271 -3.750 -9.495 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.883 -3.891 -8.822 1.00 0.83 H new ATOM 0 HE2 LYS B 54 144.656 -4.065 -6.490 1.00 1.41 H new ATOM 0 HE3 LYS B 54 143.218 -4.397 -7.434 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 144.375 -6.442 -6.849 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 144.396 -6.224 -8.533 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 145.789 -5.901 -7.617 1.00 2.25 H new ATOM 2262 N ASP B 55 145.296 2.189 -10.401 1.00 0.30 N ATOM 2263 CA ASP B 55 145.830 3.024 -11.515 1.00 0.39 C ATOM 2264 C ASP B 55 147.201 3.562 -11.093 1.00 0.38 C ATOM 2265 O ASP B 55 147.310 4.416 -10.235 1.00 0.37 O ATOM 2266 CB ASP B 55 144.869 4.180 -11.790 1.00 0.47 C ATOM 2267 CG ASP B 55 143.645 3.657 -12.546 1.00 1.18 C ATOM 2268 OD1 ASP B 55 143.819 2.793 -13.388 1.00 1.80 O ATOM 2269 OD2 ASP B 55 142.554 4.126 -12.265 1.00 1.54 O ATOM 0 H ASP B 55 144.480 2.567 -9.919 1.00 0.30 H new ATOM 0 HA ASP B 55 145.929 2.433 -12.425 1.00 0.39 H new ATOM 0 HB2 ASP B 55 144.561 4.642 -10.852 1.00 0.47 H new ATOM 0 HB3 ASP B 55 145.369 4.951 -12.376 1.00 0.47 H new ATOM 2274 N GLU B 56 148.249 3.036 -11.667 1.00 0.39 N ATOM 2275 CA GLU B 56 149.624 3.469 -11.286 1.00 0.38 C ATOM 2276 C GLU B 56 149.882 4.947 -11.609 1.00 0.38 C ATOM 2277 O GLU B 56 150.504 5.649 -10.843 1.00 0.38 O ATOM 2278 CB GLU B 56 150.643 2.603 -12.032 1.00 0.40 C ATOM 2279 CG GLU B 56 152.056 2.921 -11.534 1.00 0.41 C ATOM 2280 CD GLU B 56 153.066 2.037 -12.268 1.00 0.63 C ATOM 2281 OE1 GLU B 56 152.638 1.220 -13.067 1.00 0.88 O ATOM 2282 OE2 GLU B 56 154.249 2.188 -12.016 1.00 0.85 O ATOM 0 H GLU B 56 148.211 2.318 -12.390 1.00 0.39 H new ATOM 0 HA GLU B 56 149.724 3.348 -10.207 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.421 1.547 -11.875 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.575 2.787 -13.104 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.285 3.973 -11.705 1.00 0.41 H new ATOM 0 HG3 GLU B 56 152.121 2.751 -10.459 1.00 0.41 H new ATOM 2289 N ASP B 57 149.424 5.439 -12.727 1.00 0.40 N ATOM 2290 CA ASP B 57 149.683 6.875 -13.053 1.00 0.42 C ATOM 2291 C ASP B 57 148.883 7.769 -12.110 1.00 0.41 C ATOM 2292 O ASP B 57 149.370 8.778 -11.638 1.00 0.41 O ATOM 2293 CB ASP B 57 149.262 7.158 -14.497 1.00 0.45 C ATOM 2294 CG ASP B 57 150.223 6.463 -15.461 1.00 0.47 C ATOM 2295 OD1 ASP B 57 151.343 6.193 -15.061 1.00 0.65 O ATOM 2296 OD2 ASP B 57 149.821 6.210 -16.585 1.00 0.74 O ATOM 0 H ASP B 57 148.888 4.919 -13.422 1.00 0.40 H new ATOM 0 HA ASP B 57 150.747 7.082 -12.935 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.245 6.805 -14.665 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.261 8.232 -14.681 1.00 0.45 H new ATOM 2301 N LEU B 58 147.677 7.406 -11.814 1.00 0.40 N ATOM 2302 CA LEU B 58 146.882 8.246 -10.879 1.00 0.40 C ATOM 2303 C LEU B 58 147.465 8.115 -9.474 1.00 0.38 C ATOM 2304 O LEU B 58 147.571 9.079 -8.741 1.00 0.38 O ATOM 2305 CB LEU B 58 145.420 7.791 -10.867 1.00 0.41 C ATOM 2306 CG LEU B 58 144.795 7.959 -12.259 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.345 7.466 -12.216 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.824 9.443 -12.680 1.00 0.55 C ATOM 0 H LEU B 58 147.206 6.575 -12.171 1.00 0.40 H new ATOM 0 HA LEU B 58 146.924 9.285 -11.207 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.360 6.747 -10.558 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.858 8.372 -10.136 1.00 0.41 H new ATOM 0 HG LEU B 58 145.365 7.378 -12.984 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.892 7.581 -13.201 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.327 6.415 -11.929 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.783 8.051 -11.488 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.378 9.549 -13.669 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.259 10.036 -11.961 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.856 9.793 -12.708 1.00 0.55 H new ATOM 2320 N PHE B 59 147.859 6.929 -9.098 1.00 0.37 N ATOM 2321 CA PHE B 59 148.454 6.741 -7.749 1.00 0.35 C ATOM 2322 C PHE B 59 149.756 7.532 -7.647 1.00 0.36 C ATOM 2323 O PHE B 59 149.975 8.272 -6.709 1.00 0.35 O ATOM 2324 CB PHE B 59 148.727 5.256 -7.512 1.00 0.35 C ATOM 2325 CG PHE B 59 149.356 5.077 -6.153 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.548 4.884 -5.027 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.749 5.100 -6.021 1.00 0.37 C ATOM 2328 CE1 PHE B 59 149.133 4.716 -3.767 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.334 4.931 -4.761 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.526 4.739 -3.633 1.00 0.37 C ATOM 0 H PHE B 59 147.794 6.085 -9.667 1.00 0.37 H new ATOM 0 HA PHE B 59 147.758 7.102 -6.992 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.798 4.689 -7.573 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.389 4.868 -8.286 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.473 4.865 -5.130 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.372 5.248 -6.891 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.509 4.569 -2.898 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.409 4.949 -4.658 1.00 0.38 H new ATOM 0 HZ PHE B 59 150.978 4.609 -2.661 1.00 0.37 H new ATOM 2340 N ARG B 60 150.627 7.373 -8.608 1.00 0.38 N ATOM 2341 CA ARG B 60 151.922 8.106 -8.568 1.00 0.39 C ATOM 2342 C ARG B 60 151.683 9.613 -8.590 1.00 0.40 C ATOM 2343 O ARG B 60 152.264 10.351 -7.818 1.00 0.39 O ATOM 2344 CB ARG B 60 152.769 7.714 -9.780 1.00 0.43 C ATOM 2345 CG ARG B 60 153.251 6.269 -9.635 1.00 0.44 C ATOM 2346 CD ARG B 60 154.079 5.892 -10.862 1.00 0.51 C ATOM 2347 NE ARG B 60 155.342 6.682 -10.860 1.00 1.31 N ATOM 2348 CZ ARG B 60 156.318 6.360 -11.662 1.00 1.54 C ATOM 2349 NH1 ARG B 60 156.178 5.361 -12.489 1.00 1.15 N ATOM 2350 NH2 ARG B 60 157.430 7.042 -11.642 1.00 2.64 N ATOM 0 H ARG B 60 150.496 6.767 -9.418 1.00 0.38 H new ATOM 0 HA ARG B 60 152.444 7.842 -7.648 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.184 7.821 -10.693 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.624 8.384 -9.869 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.849 6.161 -8.730 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.399 5.597 -9.536 1.00 0.44 H new ATOM 0 HD2 ARG B 60 154.303 4.825 -10.851 1.00 0.51 H new ATOM 0 HD3 ARG B 60 153.513 6.090 -11.772 1.00 0.51 H new ATOM 0 HE ARG B 60 155.443 7.477 -10.229 1.00 1.31 H new ATOM 0 HH11 ARG B 60 155.306 4.833 -12.508 1.00 1.15 H new ATOM 0 HH12 ARG B 60 156.941 5.108 -13.117 1.00 1.15 H new ATOM 0 HH21 ARG B 60 157.535 7.827 -10.999 1.00 2.64 H new ATOM 0 HH22 ARG B 60 158.194 6.790 -12.269 1.00 2.64 H new ATOM 2364 N GLU B 61 150.825 10.085 -9.455 1.00 0.42 N ATOM 2365 CA GLU B 61 150.553 11.543 -9.504 1.00 0.44 C ATOM 2366 C GLU B 61 149.907 11.968 -8.185 1.00 0.42 C ATOM 2367 O GLU B 61 150.206 13.013 -7.645 1.00 0.43 O ATOM 2368 CB GLU B 61 149.608 11.847 -10.670 1.00 0.48 C ATOM 2369 CG GLU B 61 149.324 13.350 -10.726 1.00 1.30 C ATOM 2370 CD GLU B 61 148.492 13.663 -11.971 1.00 1.77 C ATOM 2371 OE1 GLU B 61 148.320 12.770 -12.784 1.00 2.38 O ATOM 2372 OE2 GLU B 61 148.042 14.791 -12.091 1.00 2.33 O ATOM 0 H GLU B 61 150.304 9.522 -10.127 1.00 0.42 H new ATOM 0 HA GLU B 61 151.483 12.093 -9.650 1.00 0.44 H new ATOM 0 HB2 GLU B 61 150.054 11.516 -11.608 1.00 0.48 H new ATOM 0 HB3 GLU B 61 148.676 11.295 -10.548 1.00 0.48 H new ATOM 0 HG2 GLU B 61 148.790 13.664 -9.829 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.260 13.908 -10.751 1.00 1.30 H new ATOM 2379 N TRP B 62 149.028 11.165 -7.663 1.00 0.40 N ATOM 2380 CA TRP B 62 148.366 11.524 -6.378 1.00 0.39 C ATOM 2381 C TRP B 62 149.389 11.609 -5.242 1.00 0.36 C ATOM 2382 O TRP B 62 149.422 12.563 -4.494 1.00 0.36 O ATOM 2383 CB TRP B 62 147.313 10.462 -6.029 1.00 0.38 C ATOM 2384 CG TRP B 62 146.821 10.685 -4.630 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.846 11.551 -4.271 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.290 10.061 -3.400 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.682 11.492 -2.897 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.548 10.587 -2.317 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.276 9.095 -3.123 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.777 10.169 -1.004 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.507 8.674 -1.804 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.759 9.209 -0.747 1.00 0.32 C ATOM 0 H TRP B 62 148.738 10.275 -8.068 1.00 0.40 H new ATOM 0 HA TRP B 62 147.892 12.498 -6.496 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.481 10.515 -6.731 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.743 9.465 -6.120 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.288 12.184 -4.945 1.00 0.39 H new ATOM 0 HE1 TRP B 62 145.004 12.049 -2.377 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.858 8.675 -3.930 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.199 10.585 -0.193 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.266 7.933 -1.603 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.941 8.880 0.265 1.00 0.32 H new ATOM 2403 N LEU B 63 150.214 10.614 -5.098 1.00 0.34 N ATOM 2404 CA LEU B 63 151.217 10.638 -3.998 1.00 0.32 C ATOM 2405 C LEU B 63 152.237 11.750 -4.251 1.00 0.33 C ATOM 2406 O LEU B 63 152.521 12.556 -3.388 1.00 0.32 O ATOM 2407 CB LEU B 63 151.923 9.278 -3.946 1.00 0.31 C ATOM 2408 CG LEU B 63 152.970 9.253 -2.825 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.300 9.501 -1.462 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.656 7.882 -2.820 1.00 0.32 C ATOM 0 H LEU B 63 150.239 9.785 -5.692 1.00 0.34 H new ATOM 0 HA LEU B 63 150.721 10.831 -3.047 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.190 8.488 -3.783 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.403 9.075 -4.903 1.00 0.31 H new ATOM 0 HG LEU B 63 153.705 10.039 -2.999 1.00 0.30 H new ATOM 0 HD11 LEU B 63 153.055 9.480 -0.676 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.810 10.475 -1.469 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.559 8.724 -1.274 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.403 7.852 -2.027 1.00 0.32 H new ATOM 0 HD22 LEU B 63 152.912 7.104 -2.648 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.141 7.714 -3.782 1.00 0.32 H new ATOM 2422 N LYS B 64 152.781 11.803 -5.433 1.00 0.35 N ATOM 2423 CA LYS B 64 153.775 12.865 -5.757 1.00 0.37 C ATOM 2424 C LYS B 64 153.123 14.243 -5.641 1.00 0.38 C ATOM 2425 O LYS B 64 153.663 15.155 -5.047 1.00 0.38 O ATOM 2426 CB LYS B 64 154.306 12.659 -7.183 1.00 0.41 C ATOM 2427 CG LYS B 64 155.285 13.802 -7.566 1.00 0.43 C ATOM 2428 CD LYS B 64 154.561 14.889 -8.399 1.00 0.68 C ATOM 2429 CE LYS B 64 154.659 14.562 -9.894 1.00 1.24 C ATOM 2430 NZ LYS B 64 154.189 13.167 -10.131 1.00 2.10 N ATOM 0 H LYS B 64 152.580 11.154 -6.193 1.00 0.35 H new ATOM 0 HA LYS B 64 154.604 12.805 -5.052 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.814 11.697 -7.253 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.475 12.632 -7.887 1.00 0.41 H new ATOM 0 HG2 LYS B 64 155.703 14.247 -6.663 1.00 0.43 H new ATOM 0 HG3 LYS B 64 156.120 13.396 -8.137 1.00 0.43 H new ATOM 0 HD2 LYS B 64 153.515 14.950 -8.100 1.00 0.68 H new ATOM 0 HD3 LYS B 64 155.006 15.865 -8.203 1.00 0.68 H new ATOM 0 HE2 LYS B 64 154.055 15.263 -10.471 1.00 1.24 H new ATOM 0 HE3 LYS B 64 155.689 14.673 -10.234 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 154.159 12.980 -11.154 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 154.842 12.498 -9.675 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 153.237 13.049 -9.730 1.00 2.10 H new ATOM 2444 N ASP B 65 151.962 14.397 -6.213 1.00 0.41 N ATOM 2445 CA ASP B 65 151.256 15.707 -6.156 1.00 0.44 C ATOM 2446 C ASP B 65 150.798 15.987 -4.723 1.00 0.43 C ATOM 2447 O ASP B 65 150.667 17.124 -4.315 1.00 0.45 O ATOM 2448 CB ASP B 65 150.041 15.666 -7.087 1.00 0.48 C ATOM 2449 CG ASP B 65 149.440 17.066 -7.218 1.00 1.17 C ATOM 2450 OD1 ASP B 65 149.460 17.793 -6.239 1.00 1.90 O ATOM 2451 OD2 ASP B 65 148.973 17.390 -8.298 1.00 1.41 O ATOM 0 H ASP B 65 151.468 13.664 -6.722 1.00 0.41 H new ATOM 0 HA ASP B 65 151.934 16.499 -6.474 1.00 0.44 H new ATOM 0 HB2 ASP B 65 150.336 15.294 -8.068 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.294 14.975 -6.695 1.00 0.48 H new ATOM 2456 N THR B 66 150.524 14.960 -3.965 1.00 0.39 N ATOM 2457 CA THR B 66 150.037 15.163 -2.570 1.00 0.39 C ATOM 2458 C THR B 66 151.194 15.458 -1.610 1.00 0.38 C ATOM 2459 O THR B 66 151.008 16.168 -0.640 1.00 0.40 O ATOM 2460 CB THR B 66 149.294 13.908 -2.103 1.00 0.37 C ATOM 2461 OG1 THR B 66 148.141 13.718 -2.912 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.864 14.071 -0.643 1.00 0.38 C ATOM 0 H THR B 66 150.617 13.986 -4.253 1.00 0.39 H new ATOM 0 HA THR B 66 149.366 16.022 -2.566 1.00 0.39 H new ATOM 0 HB THR B 66 149.955 13.045 -2.190 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.366 13.140 -3.671 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.336 13.175 -0.317 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.745 14.220 -0.019 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.204 14.934 -0.552 1.00 0.38 H new ATOM 2470 N CYS B 67 152.372 14.906 -1.816 1.00 0.36 N ATOM 2471 CA CYS B 67 153.499 15.150 -0.850 1.00 0.37 C ATOM 2472 C CYS B 67 154.794 15.548 -1.563 1.00 0.37 C ATOM 2473 O CYS B 67 155.622 16.244 -1.009 1.00 0.39 O ATOM 2474 CB CYS B 67 153.753 13.864 -0.062 1.00 0.36 C ATOM 2475 SG CYS B 67 154.123 12.515 -1.212 1.00 0.36 S ATOM 0 H CYS B 67 152.601 14.302 -2.605 1.00 0.36 H new ATOM 0 HA CYS B 67 153.209 15.971 -0.195 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.584 14.006 0.628 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.879 13.614 0.539 1.00 0.36 H new ATOM 0 HG CYS B 67 153.460 12.692 -2.316 1.00 0.36 H new ATOM 2481 N GLY B 68 154.984 15.102 -2.780 1.00 0.35 N ATOM 2482 CA GLY B 68 156.238 15.439 -3.528 1.00 0.36 C ATOM 2483 C GLY B 68 157.134 14.200 -3.587 1.00 0.34 C ATOM 2484 O GLY B 68 158.299 14.283 -3.922 1.00 0.33 O ATOM 0 H GLY B 68 154.323 14.517 -3.291 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.996 15.776 -4.536 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.761 16.258 -3.035 1.00 0.36 H new ATOM 2488 N ALA B 69 156.603 13.047 -3.273 1.00 0.32 N ATOM 2489 CA ALA B 69 157.429 11.806 -3.319 1.00 0.31 C ATOM 2490 C ALA B 69 158.116 11.706 -4.682 1.00 0.31 C ATOM 2491 O ALA B 69 157.635 12.227 -5.668 1.00 0.32 O ATOM 2492 CB ALA B 69 156.526 10.587 -3.117 1.00 0.31 C ATOM 0 H ALA B 69 155.633 12.912 -2.987 1.00 0.32 H new ATOM 0 HA ALA B 69 158.181 11.838 -2.531 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.128 9.679 -3.150 1.00 0.31 H new ATOM 0 HB2 ALA B 69 156.030 10.658 -2.149 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.776 10.555 -3.908 1.00 0.31 H new ATOM 2498 N ASN B 70 159.241 11.044 -4.749 1.00 0.29 N ATOM 2499 CA ASN B 70 159.959 10.917 -6.053 1.00 0.29 C ATOM 2500 C ASN B 70 159.486 9.658 -6.780 1.00 0.29 C ATOM 2501 O ASN B 70 158.770 8.841 -6.235 1.00 0.29 O ATOM 2502 CB ASN B 70 161.466 10.827 -5.805 1.00 0.29 C ATOM 2503 CG ASN B 70 161.992 12.189 -5.346 1.00 1.07 C ATOM 2504 OD1 ASN B 70 161.358 13.202 -5.565 1.00 1.91 O ATOM 2505 ND2 ASN B 70 163.135 12.259 -4.720 1.00 1.78 N ATOM 0 H ASN B 70 159.694 10.586 -3.958 1.00 0.29 H new ATOM 0 HA ASN B 70 159.745 11.792 -6.667 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.676 10.071 -5.049 1.00 0.29 H new ATOM 0 HB3 ASN B 70 161.977 10.517 -6.716 1.00 0.29 H new ATOM 0 HD21 ASN B 70 163.495 13.163 -4.415 1.00 1.78 H new ATOM 0 HD22 ASN B 70 163.668 11.409 -4.535 1.00 1.78 H new ATOM 2512 N ALA B 71 159.870 9.509 -8.016 1.00 0.31 N ATOM 2513 CA ALA B 71 159.437 8.321 -8.804 1.00 0.33 C ATOM 2514 C ALA B 71 159.914 7.026 -8.139 1.00 0.31 C ATOM 2515 O ALA B 71 159.261 6.009 -8.227 1.00 0.31 O ATOM 2516 CB ALA B 71 160.025 8.407 -10.213 1.00 0.38 C ATOM 0 H ALA B 71 160.470 10.164 -8.518 1.00 0.31 H new ATOM 0 HA ALA B 71 158.348 8.312 -8.850 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.710 7.539 -10.792 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.672 9.316 -10.700 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.113 8.427 -10.153 1.00 0.38 H new ATOM 2522 N LYS B 72 161.043 7.040 -7.486 1.00 0.29 N ATOM 2523 CA LYS B 72 161.526 5.780 -6.849 1.00 0.28 C ATOM 2524 C LYS B 72 160.664 5.457 -5.628 1.00 0.26 C ATOM 2525 O LYS B 72 160.342 4.316 -5.365 1.00 0.26 O ATOM 2526 CB LYS B 72 162.991 5.944 -6.422 1.00 0.28 C ATOM 2527 CG LYS B 72 163.914 5.806 -7.641 1.00 1.18 C ATOM 2528 CD LYS B 72 163.748 7.016 -8.564 1.00 1.28 C ATOM 2529 CE LYS B 72 164.878 7.034 -9.592 1.00 2.10 C ATOM 2530 NZ LYS B 72 164.592 8.072 -10.621 1.00 2.57 N ATOM 0 H LYS B 72 161.645 7.855 -7.366 1.00 0.29 H new ATOM 0 HA LYS B 72 161.452 4.963 -7.567 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.135 6.918 -5.955 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.247 5.192 -5.675 1.00 0.28 H new ATOM 0 HG2 LYS B 72 164.951 5.727 -7.315 1.00 1.18 H new ATOM 0 HG3 LYS B 72 163.679 4.890 -8.183 1.00 1.18 H new ATOM 0 HD2 LYS B 72 162.783 6.971 -9.070 1.00 1.28 H new ATOM 0 HD3 LYS B 72 163.759 7.936 -7.980 1.00 1.28 H new ATOM 0 HE2 LYS B 72 165.828 7.245 -9.101 1.00 2.10 H new ATOM 0 HE3 LYS B 72 164.972 6.055 -10.063 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 165.360 8.086 -11.322 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 163.693 7.852 -11.096 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 164.523 9.004 -10.164 1.00 2.57 H new ATOM 2544 N GLN B 73 160.306 6.455 -4.868 1.00 0.25 N ATOM 2545 CA GLN B 73 159.487 6.215 -3.652 1.00 0.24 C ATOM 2546 C GLN B 73 158.088 5.748 -4.040 1.00 0.25 C ATOM 2547 O GLN B 73 157.506 4.901 -3.391 1.00 0.25 O ATOM 2548 CB GLN B 73 159.386 7.510 -2.839 1.00 0.26 C ATOM 2549 CG GLN B 73 160.771 7.901 -2.312 1.00 0.28 C ATOM 2550 CD GLN B 73 161.261 6.855 -1.309 1.00 1.25 C ATOM 2551 OE1 GLN B 73 162.369 6.369 -1.413 1.00 2.12 O ATOM 2552 NE2 GLN B 73 160.476 6.485 -0.335 1.00 1.89 N ATOM 0 H GLN B 73 160.548 7.431 -5.040 1.00 0.25 H new ATOM 0 HA GLN B 73 159.965 5.440 -3.052 1.00 0.24 H new ATOM 0 HB2 GLN B 73 158.984 8.310 -3.461 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.695 7.375 -2.007 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.475 7.981 -3.140 1.00 0.28 H new ATOM 0 HG3 GLN B 73 160.725 8.881 -1.836 1.00 0.28 H new ATOM 0 HE21 GLN B 73 159.545 6.893 -0.247 1.00 1.89 H new ATOM 0 HE22 GLN B 73 160.793 5.788 0.339 1.00 1.89 H new ATOM 2561 N SER B 74 157.537 6.295 -5.088 1.00 0.26 N ATOM 2562 CA SER B 74 156.170 5.883 -5.501 1.00 0.27 C ATOM 2563 C SER B 74 156.191 4.442 -6.018 1.00 0.26 C ATOM 2564 O SER B 74 155.279 3.679 -5.771 1.00 0.26 O ATOM 2565 CB SER B 74 155.670 6.821 -6.599 1.00 0.30 C ATOM 2566 OG SER B 74 156.195 6.403 -7.852 1.00 1.36 O ATOM 0 H SER B 74 157.974 7.007 -5.673 1.00 0.26 H new ATOM 0 HA SER B 74 155.501 5.938 -4.642 1.00 0.27 H new ATOM 0 HB2 SER B 74 154.580 6.816 -6.629 1.00 0.30 H new ATOM 0 HB3 SER B 74 155.978 7.845 -6.386 1.00 0.30 H new ATOM 0 HG SER B 74 157.173 6.363 -7.800 1.00 1.36 H new ATOM 2572 N ARG B 75 157.223 4.050 -6.728 1.00 0.27 N ATOM 2573 CA ARG B 75 157.283 2.651 -7.240 1.00 0.27 C ATOM 2574 C ARG B 75 157.260 1.678 -6.062 1.00 0.26 C ATOM 2575 O ARG B 75 156.648 0.632 -6.136 1.00 0.26 O ATOM 2576 CB ARG B 75 158.554 2.454 -8.070 1.00 0.29 C ATOM 2577 CG ARG B 75 158.389 3.168 -9.415 1.00 0.32 C ATOM 2578 CD ARG B 75 159.662 3.011 -10.249 1.00 0.61 C ATOM 2579 NE ARG B 75 159.493 3.714 -11.551 1.00 1.35 N ATOM 2580 CZ ARG B 75 160.540 4.026 -12.263 1.00 1.82 C ATOM 2581 NH1 ARG B 75 161.736 3.732 -11.831 1.00 1.89 N ATOM 2582 NH2 ARG B 75 160.391 4.638 -13.407 1.00 2.81 N ATOM 0 H ARG B 75 158.020 4.638 -6.972 1.00 0.27 H new ATOM 0 HA ARG B 75 156.420 2.458 -7.877 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.417 2.852 -7.536 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.739 1.392 -8.228 1.00 0.29 H new ATOM 0 HG2 ARG B 75 157.537 2.753 -9.954 1.00 0.32 H new ATOM 0 HG3 ARG B 75 158.179 4.225 -9.252 1.00 0.32 H new ATOM 0 HD2 ARG B 75 160.516 3.422 -9.710 1.00 0.61 H new ATOM 0 HD3 ARG B 75 159.870 1.955 -10.418 1.00 0.61 H new ATOM 0 HE ARG B 75 158.559 3.951 -11.886 1.00 1.35 H new ATOM 0 HH11 ARG B 75 161.853 3.258 -10.936 1.00 1.89 H new ATOM 0 HH12 ARG B 75 162.554 3.977 -12.389 1.00 1.89 H new ATOM 0 HH21 ARG B 75 159.457 4.871 -13.743 1.00 2.81 H new ATOM 0 HH22 ARG B 75 161.209 4.883 -13.965 1.00 2.81 H new ATOM 2596 N ASP B 76 157.927 1.985 -4.980 1.00 0.24 N ATOM 2597 CA ASP B 76 157.945 1.056 -3.818 1.00 0.24 C ATOM 2598 C ASP B 76 156.564 0.984 -3.175 1.00 0.22 C ATOM 2599 O ASP B 76 156.112 -0.075 -2.787 1.00 0.22 O ATOM 2600 CB ASP B 76 158.965 1.547 -2.785 1.00 0.23 C ATOM 2601 CG ASP B 76 160.382 1.336 -3.322 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.584 0.376 -4.046 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.242 2.140 -2.999 1.00 0.39 O ATOM 0 H ASP B 76 158.462 2.844 -4.853 1.00 0.24 H new ATOM 0 HA ASP B 76 158.224 0.062 -4.167 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.800 2.603 -2.570 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.837 1.007 -1.847 1.00 0.23 H new ATOM 2608 N CYS B 77 155.873 2.084 -3.063 1.00 0.22 N ATOM 2609 CA CYS B 77 154.520 2.033 -2.454 1.00 0.21 C ATOM 2610 C CYS B 77 153.575 1.278 -3.390 1.00 0.22 C ATOM 2611 O CYS B 77 152.744 0.510 -2.954 1.00 0.21 O ATOM 2612 CB CYS B 77 154.003 3.459 -2.244 1.00 0.22 C ATOM 2613 SG CYS B 77 154.951 4.256 -0.924 1.00 0.23 S ATOM 0 H CYS B 77 156.185 3.007 -3.365 1.00 0.22 H new ATOM 0 HA CYS B 77 154.568 1.521 -1.493 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.094 4.030 -3.168 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.944 3.439 -1.985 1.00 0.22 H new ATOM 0 HG CYS B 77 155.674 3.366 -0.311 1.00 0.23 H new ATOM 2619 N PHE B 78 153.680 1.489 -4.674 1.00 0.23 N ATOM 2620 CA PHE B 78 152.762 0.773 -5.602 1.00 0.25 C ATOM 2621 C PHE B 78 152.942 -0.736 -5.446 1.00 0.24 C ATOM 2622 O PHE B 78 152.018 -1.449 -5.109 1.00 0.23 O ATOM 2623 CB PHE B 78 153.081 1.182 -7.043 1.00 0.28 C ATOM 2624 CG PHE B 78 152.167 0.445 -7.994 1.00 0.32 C ATOM 2625 CD1 PHE B 78 150.932 1.001 -8.349 1.00 0.36 C ATOM 2626 CD2 PHE B 78 152.561 -0.788 -8.528 1.00 0.38 C ATOM 2627 CE1 PHE B 78 150.089 0.321 -9.236 1.00 0.40 C ATOM 2628 CE2 PHE B 78 151.717 -1.468 -9.415 1.00 0.43 C ATOM 2629 CZ PHE B 78 150.480 -0.914 -9.769 1.00 0.42 C ATOM 0 H PHE B 78 154.352 2.117 -5.115 1.00 0.23 H new ATOM 0 HA PHE B 78 151.731 1.035 -5.366 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.955 2.258 -7.162 1.00 0.28 H new ATOM 0 HB3 PHE B 78 154.122 0.955 -7.274 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.630 1.953 -7.939 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.515 -1.214 -8.256 1.00 0.38 H new ATOM 0 HE1 PHE B 78 149.136 0.749 -9.510 1.00 0.40 H new ATOM 0 HE2 PHE B 78 152.020 -2.420 -9.826 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.828 -1.439 -10.452 1.00 0.42 H new ATOM 2639 N GLY B 79 154.125 -1.228 -5.693 1.00 0.25 N ATOM 2640 CA GLY B 79 154.370 -2.692 -5.566 1.00 0.25 C ATOM 2641 C GLY B 79 154.136 -3.148 -4.124 1.00 0.23 C ATOM 2642 O GLY B 79 153.668 -4.236 -3.875 1.00 0.24 O ATOM 0 H GLY B 79 154.935 -0.677 -5.978 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.708 -3.238 -6.239 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.392 -2.924 -5.866 1.00 0.25 H new ATOM 2646 N CYS B 80 154.448 -2.325 -3.171 1.00 0.22 N ATOM 2647 CA CYS B 80 154.228 -2.735 -1.757 1.00 0.21 C ATOM 2648 C CYS B 80 152.731 -2.755 -1.451 1.00 0.21 C ATOM 2649 O CYS B 80 152.219 -3.707 -0.896 1.00 0.22 O ATOM 2650 CB CYS B 80 154.937 -1.756 -0.824 1.00 0.22 C ATOM 2651 SG CYS B 80 154.790 -2.339 0.884 1.00 0.24 S ATOM 0 H CYS B 80 154.842 -1.394 -3.303 1.00 0.22 H new ATOM 0 HA CYS B 80 154.635 -3.735 -1.604 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.988 -1.669 -1.101 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.498 -0.763 -0.920 1.00 0.22 H new ATOM 0 HG CYS B 80 154.369 -1.368 1.639 1.00 0.24 H new ATOM 2657 N LEU B 81 152.012 -1.737 -1.836 1.00 0.21 N ATOM 2658 CA LEU B 81 150.546 -1.757 -1.581 1.00 0.21 C ATOM 2659 C LEU B 81 149.909 -2.803 -2.502 1.00 0.21 C ATOM 2660 O LEU B 81 149.022 -3.535 -2.110 1.00 0.22 O ATOM 2661 CB LEU B 81 149.956 -0.375 -1.893 1.00 0.22 C ATOM 2662 CG LEU B 81 150.604 0.697 -0.998 1.00 0.24 C ATOM 2663 CD1 LEU B 81 150.413 2.078 -1.634 1.00 0.29 C ATOM 2664 CD2 LEU B 81 149.946 0.702 0.387 1.00 0.28 C ATOM 0 H LEU B 81 152.369 -0.906 -2.308 1.00 0.21 H new ATOM 0 HA LEU B 81 150.348 -2.004 -0.538 1.00 0.21 H new ATOM 0 HB2 LEU B 81 150.120 -0.130 -2.942 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.878 -0.388 -1.734 1.00 0.22 H new ATOM 0 HG LEU B 81 151.665 0.470 -0.897 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.872 2.837 -1.000 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.883 2.094 -2.617 1.00 0.29 H new ATOM 0 HD13 LEU B 81 149.348 2.287 -1.737 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.414 1.465 1.009 1.00 0.28 H new ATOM 0 HD22 LEU B 81 148.883 0.920 0.284 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.073 -0.275 0.854 1.00 0.28 H new ATOM 2676 N ARG B 82 150.355 -2.872 -3.732 1.00 0.22 N ATOM 2677 CA ARG B 82 149.776 -3.861 -4.688 1.00 0.24 C ATOM 2678 C ARG B 82 150.066 -5.287 -4.222 1.00 0.25 C ATOM 2679 O ARG B 82 149.231 -6.163 -4.329 1.00 0.26 O ATOM 2680 CB ARG B 82 150.378 -3.652 -6.079 1.00 0.28 C ATOM 2681 CG ARG B 82 149.778 -4.672 -7.051 1.00 0.32 C ATOM 2682 CD ARG B 82 150.227 -4.353 -8.477 1.00 0.85 C ATOM 2683 NE ARG B 82 149.804 -5.459 -9.381 1.00 1.42 N ATOM 2684 CZ ARG B 82 149.830 -5.294 -10.675 1.00 1.96 C ATOM 2685 NH1 ARG B 82 150.236 -4.162 -11.181 1.00 2.26 N ATOM 2686 NH2 ARG B 82 149.450 -6.262 -11.463 1.00 2.74 N ATOM 0 H ARG B 82 151.096 -2.285 -4.114 1.00 0.22 H new ATOM 0 HA ARG B 82 148.697 -3.712 -4.728 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.175 -2.639 -6.427 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.461 -3.765 -6.039 1.00 0.28 H new ATOM 0 HG2 ARG B 82 150.094 -5.679 -6.777 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.690 -4.651 -6.989 1.00 0.32 H new ATOM 0 HD2 ARG B 82 149.790 -3.410 -8.807 1.00 0.85 H new ATOM 0 HD3 ARG B 82 151.310 -4.232 -8.512 1.00 0.85 H new ATOM 0 HE ARG B 82 149.493 -6.347 -8.987 1.00 1.42 H new ATOM 0 HH11 ARG B 82 150.533 -3.405 -10.565 1.00 2.26 H new ATOM 0 HH12 ARG B 82 150.256 -4.034 -12.193 1.00 2.26 H new ATOM 0 HH21 ARG B 82 149.133 -7.147 -11.067 1.00 2.74 H new ATOM 0 HH22 ARG B 82 149.470 -6.134 -12.475 1.00 2.74 H new ATOM 2700 N GLU B 83 151.243 -5.540 -3.719 1.00 0.25 N ATOM 2701 CA GLU B 83 151.571 -6.919 -3.268 1.00 0.27 C ATOM 2702 C GLU B 83 150.750 -7.263 -2.028 1.00 0.27 C ATOM 2703 O GLU B 83 150.285 -8.375 -1.882 1.00 0.28 O ATOM 2704 CB GLU B 83 153.064 -7.028 -2.952 1.00 0.29 C ATOM 2705 CG GLU B 83 153.863 -7.059 -4.261 1.00 0.33 C ATOM 2706 CD GLU B 83 153.649 -8.402 -4.961 1.00 1.20 C ATOM 2707 OE1 GLU B 83 153.202 -9.327 -4.305 1.00 1.91 O ATOM 2708 OE2 GLU B 83 153.938 -8.480 -6.144 1.00 1.57 O ATOM 0 H GLU B 83 151.988 -4.854 -3.602 1.00 0.25 H new ATOM 0 HA GLU B 83 151.329 -7.621 -4.065 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.380 -6.183 -2.341 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.259 -7.931 -2.373 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.546 -6.244 -4.912 1.00 0.33 H new ATOM 0 HG3 GLU B 83 154.923 -6.909 -4.056 1.00 0.33 H new ATOM 2715 N TRP B 84 150.532 -6.328 -1.144 1.00 0.25 N ATOM 2716 CA TRP B 84 149.704 -6.640 0.049 1.00 0.25 C ATOM 2717 C TRP B 84 148.326 -7.069 -0.450 1.00 0.26 C ATOM 2718 O TRP B 84 147.768 -8.054 -0.014 1.00 0.28 O ATOM 2719 CB TRP B 84 149.570 -5.399 0.933 1.00 0.25 C ATOM 2720 CG TRP B 84 148.845 -5.774 2.183 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.439 -6.166 3.332 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.410 -5.819 2.427 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.461 -6.447 4.268 1.00 0.32 N ATOM 2724 CE2 TRP B 84 147.194 -6.249 3.758 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.287 -5.531 1.631 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 145.910 -6.390 4.281 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 144.991 -5.673 2.155 1.00 0.35 C ATOM 2728 CH2 TRP B 84 144.804 -6.103 3.477 1.00 0.36 C ATOM 0 H TRP B 84 150.888 -5.373 -1.197 1.00 0.25 H new ATOM 0 HA TRP B 84 150.166 -7.431 0.639 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.555 -4.999 1.174 1.00 0.25 H new ATOM 0 HB3 TRP B 84 149.028 -4.615 0.403 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.504 -6.247 3.493 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.652 -6.762 5.219 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.421 -5.199 0.612 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.771 -6.719 5.300 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.134 -5.450 1.537 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.805 -6.212 3.873 1.00 0.36 H new ATOM 2739 N CYS B 85 147.783 -6.334 -1.380 1.00 0.27 N ATOM 2740 CA CYS B 85 146.449 -6.699 -1.926 1.00 0.30 C ATOM 2741 C CYS B 85 146.534 -8.090 -2.558 1.00 0.33 C ATOM 2742 O CYS B 85 145.644 -8.904 -2.424 1.00 0.36 O ATOM 2743 CB CYS B 85 146.048 -5.673 -2.990 1.00 0.33 C ATOM 2744 SG CYS B 85 145.648 -4.099 -2.190 1.00 0.33 S ATOM 0 H CYS B 85 148.205 -5.498 -1.784 1.00 0.27 H new ATOM 0 HA CYS B 85 145.705 -6.706 -1.129 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.862 -5.535 -3.702 1.00 0.33 H new ATOM 0 HB3 CYS B 85 145.189 -6.035 -3.554 1.00 0.33 H new ATOM 0 HG CYS B 85 146.746 -3.452 -1.933 1.00 0.33 H new ATOM 2750 N ASP B 86 147.611 -8.368 -3.237 1.00 0.34 N ATOM 2751 CA ASP B 86 147.777 -9.703 -3.876 1.00 0.40 C ATOM 2752 C ASP B 86 147.749 -10.795 -2.805 1.00 0.41 C ATOM 2753 O ASP B 86 147.226 -11.872 -3.013 1.00 0.43 O ATOM 2754 CB ASP B 86 149.115 -9.755 -4.611 1.00 0.42 C ATOM 2755 CG ASP B 86 149.056 -8.847 -5.841 1.00 0.43 C ATOM 2756 OD1 ASP B 86 147.958 -8.558 -6.286 1.00 0.55 O ATOM 2757 OD2 ASP B 86 150.110 -8.450 -6.311 1.00 0.52 O ATOM 0 H ASP B 86 148.389 -7.723 -3.378 1.00 0.34 H new ATOM 0 HA ASP B 86 146.963 -9.865 -4.583 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.919 -9.436 -3.948 1.00 0.42 H new ATOM 0 HB3 ASP B 86 149.338 -10.779 -4.912 1.00 0.42 H new ATOM 2762 N ALA B 87 148.330 -10.531 -1.662 1.00 0.40 N ATOM 2763 CA ALA B 87 148.361 -11.559 -0.582 1.00 0.43 C ATOM 2764 C ALA B 87 147.087 -11.471 0.259 1.00 0.43 C ATOM 2765 O ALA B 87 146.566 -12.472 0.710 1.00 0.47 O ATOM 2766 CB ALA B 87 149.575 -11.310 0.317 1.00 0.40 C ATOM 0 H ALA B 87 148.784 -9.647 -1.432 1.00 0.40 H new ATOM 0 HA ALA B 87 148.427 -12.550 -1.032 1.00 0.43 H new ATOM 0 HB1 ALA B 87 149.602 -12.059 1.108 1.00 0.40 H new ATOM 0 HB2 ALA B 87 150.487 -11.376 -0.276 1.00 0.40 H new ATOM 0 HB3 ALA B 87 149.502 -10.317 0.760 1.00 0.40 H new ATOM 2772 N PHE B 88 146.588 -10.282 0.489 1.00 0.39 N ATOM 2773 CA PHE B 88 145.353 -10.131 1.321 1.00 0.44 C ATOM 2774 C PHE B 88 144.145 -9.851 0.433 1.00 0.54 C ATOM 2775 O PHE B 88 143.403 -10.745 0.077 1.00 1.24 O ATOM 2776 CB PHE B 88 145.530 -8.952 2.280 1.00 0.41 C ATOM 2777 CG PHE B 88 146.547 -9.293 3.339 1.00 0.38 C ATOM 2778 CD1 PHE B 88 146.136 -9.905 4.527 1.00 0.43 C ATOM 2779 CD2 PHE B 88 147.900 -8.991 3.138 1.00 0.35 C ATOM 2780 CE1 PHE B 88 147.076 -10.219 5.513 1.00 0.46 C ATOM 2781 CE2 PHE B 88 148.839 -9.303 4.125 1.00 0.39 C ATOM 2782 CZ PHE B 88 148.427 -9.916 5.313 1.00 0.44 C ATOM 0 H PHE B 88 146.982 -9.409 0.137 1.00 0.39 H new ATOM 0 HA PHE B 88 145.192 -11.056 1.875 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.851 -8.069 1.727 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.576 -8.707 2.747 1.00 0.41 H new ATOM 0 HD1 PHE B 88 145.092 -10.135 4.683 1.00 0.43 H new ATOM 0 HD2 PHE B 88 148.217 -8.517 2.221 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.759 -10.695 6.429 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.882 -9.071 3.971 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.152 -10.156 6.076 1.00 0.44 H new ATOM 2792 N LEU B 89 143.925 -8.609 0.089 1.00 0.39 N ATOM 2793 CA LEU B 89 142.752 -8.249 -0.754 1.00 0.36 C ATOM 2794 C LEU B 89 143.076 -8.519 -2.226 1.00 0.87 C ATOM 2795 O LEU B 89 143.660 -7.653 -2.852 1.00 1.43 O ATOM 2796 CB LEU B 89 142.456 -6.758 -0.547 1.00 0.74 C ATOM 2797 CG LEU B 89 141.381 -6.273 -1.527 1.00 0.47 C ATOM 2798 CD1 LEU B 89 140.143 -7.173 -1.431 1.00 1.00 C ATOM 2799 CD2 LEU B 89 140.995 -4.828 -1.173 1.00 1.27 C ATOM 2800 OXT LEU B 89 142.737 -9.591 -2.699 1.00 1.67 O ATOM 0 H LEU B 89 144.515 -7.823 0.360 1.00 0.39 H new ATOM 0 HA LEU B 89 141.884 -8.845 -0.474 1.00 0.36 H new ATOM 0 HB2 LEU B 89 142.124 -6.588 0.477 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.369 -6.179 -0.686 1.00 0.74 H new ATOM 0 HG LEU B 89 141.771 -6.313 -2.544 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.383 -6.823 -2.130 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.418 -8.198 -1.678 1.00 1.00 H new ATOM 0 HD13 LEU B 89 139.746 -7.139 -0.416 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.231 -4.475 -1.866 1.00 1.27 H new ATOM 0 HD22 LEU B 89 140.606 -4.794 -0.155 1.00 1.27 H new ATOM 0 HD23 LEU B 89 141.874 -4.188 -1.247 1.00 1.27 H new