USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 845 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 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 6 CYS SG : rot 150:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 11 MET CE :methyl 170:sc= 0 (180deg=-0.163) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.13) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -111:sc= 0.0848 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 30:sc= -0.902 USER MOD Single : A 42 GLN : amide:sc= -0.769 K(o=-0.77,f=-3.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0395 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -157:sc= 1.18 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.88) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0802 K(o=-0.08,f=-3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -48:sc= 0.857 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 78 SER OG : rot -30:sc= 0.963 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= -0.0614 (180deg=-0.446) USER MOD Single : A 90 HIS : no HD1:sc= -0.484 X(o=-0.48,f=-0.0037) USER MOD Single : A 91 THR OG1 : rot -132:sc= 1.01 USER MOD Single : A 97 TYR OH : rot 38:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 4 0.415 -8.641 -0.239 1.00 75.05 N ATOM 39 CA THR A 4 0.620 -10.080 -0.140 1.00 64.43 C ATOM 40 C THR A 4 0.286 -10.589 1.258 1.00 45.54 C ATOM 41 O THR A 4 0.864 -11.569 1.727 1.00 74.51 O ATOM 42 CB THR A 4 2.073 -10.465 -0.481 1.00 35.03 C ATOM 43 OG1 THR A 4 2.930 -10.168 0.627 1.00 64.13 O ATOM 44 CG2 THR A 4 2.554 -9.720 -1.716 1.00 44.41 C ATOM 0 HA THR A 4 -0.051 -10.545 -0.862 1.00 64.43 H new ATOM 0 HB THR A 4 2.104 -11.535 -0.687 1.00 35.03 H new ATOM 0 HG1 THR A 4 3.851 -10.417 0.404 1.00 64.13 H new ATOM 0 HG21 THR A 4 3.582 -10.008 -1.937 1.00 44.41 H new ATOM 0 HG22 THR A 4 1.916 -9.971 -2.564 1.00 44.41 H new ATOM 0 HG23 THR A 4 2.509 -8.646 -1.534 1.00 44.41 H new ATOM 52 N VAL A 5 -0.650 -9.915 1.919 1.00 24.31 N ATOM 53 CA VAL A 5 -1.062 -10.300 3.264 1.00 60.24 C ATOM 54 C VAL A 5 -2.517 -9.925 3.521 1.00 71.14 C ATOM 55 O VAL A 5 -2.847 -8.749 3.678 1.00 31.03 O ATOM 56 CB VAL A 5 -0.175 -9.637 4.334 1.00 14.50 C ATOM 57 CG1 VAL A 5 -0.696 -9.951 5.728 1.00 4.04 C ATOM 58 CG2 VAL A 5 1.270 -10.086 4.181 1.00 10.34 C ATOM 0 H VAL A 5 -1.137 -9.100 1.545 1.00 24.31 H new ATOM 0 HA VAL A 5 -0.952 -11.382 3.332 1.00 60.24 H new ATOM 0 HB VAL A 5 -0.212 -8.557 4.194 1.00 14.50 H new ATOM 0 HG11 VAL A 5 -0.057 -9.474 6.471 1.00 4.04 H new ATOM 0 HG12 VAL A 5 -1.714 -9.574 5.829 1.00 4.04 H new ATOM 0 HG13 VAL A 5 -0.691 -11.030 5.884 1.00 4.04 H new ATOM 0 HG21 VAL A 5 1.883 -9.608 4.945 1.00 10.34 H new ATOM 0 HG22 VAL A 5 1.329 -11.169 4.294 1.00 10.34 H new ATOM 0 HG23 VAL A 5 1.636 -9.804 3.194 1.00 10.34 H new ATOM 68 N CYS A 6 -3.383 -10.932 3.562 1.00 10.51 N ATOM 69 CA CYS A 6 -4.805 -10.708 3.800 1.00 4.31 C ATOM 70 C CYS A 6 -5.127 -10.795 5.288 1.00 32.32 C ATOM 71 O CYS A 6 -5.020 -11.861 5.897 1.00 54.34 O ATOM 72 CB CYS A 6 -5.640 -11.727 3.024 1.00 64.21 C ATOM 73 SG CYS A 6 -5.713 -11.419 1.244 1.00 62.33 S ATOM 0 H CYS A 6 -3.126 -11.911 3.434 1.00 10.51 H new ATOM 0 HA CYS A 6 -5.053 -9.706 3.451 1.00 4.31 H new ATOM 0 HB2 CYS A 6 -5.229 -12.722 3.193 1.00 64.21 H new ATOM 0 HB3 CYS A 6 -6.654 -11.729 3.423 1.00 64.21 H new ATOM 0 HG CYS A 6 -5.845 -12.548 0.613 1.00 62.33 H new ATOM 79 N THR A 7 -5.521 -9.667 5.871 1.00 73.04 N ATOM 80 CA THR A 7 -5.857 -9.615 7.288 1.00 64.21 C ATOM 81 C THR A 7 -7.348 -9.842 7.509 1.00 63.32 C ATOM 82 O THR A 7 -8.174 -9.447 6.686 1.00 62.04 O ATOM 83 CB THR A 7 -5.457 -8.264 7.911 1.00 61.23 C ATOM 84 OG1 THR A 7 -4.662 -7.514 6.985 1.00 31.24 O ATOM 85 CG2 THR A 7 -4.680 -8.472 9.202 1.00 70.30 C ATOM 0 H THR A 7 -5.615 -8.776 5.383 1.00 73.04 H new ATOM 0 HA THR A 7 -5.295 -10.412 7.775 1.00 64.21 H new ATOM 0 HB THR A 7 -6.368 -7.710 8.139 1.00 61.23 H new ATOM 0 HG1 THR A 7 -4.413 -6.656 7.388 1.00 31.24 H new ATOM 0 HG21 THR A 7 -4.409 -7.504 9.623 1.00 70.30 H new ATOM 0 HG22 THR A 7 -5.298 -9.018 9.915 1.00 70.30 H new ATOM 0 HG23 THR A 7 -3.776 -9.044 8.994 1.00 70.30 H new ATOM 93 N ILE A 8 -7.685 -10.480 8.624 1.00 34.24 N ATOM 94 CA ILE A 8 -9.078 -10.758 8.953 1.00 1.24 C ATOM 95 C ILE A 8 -9.429 -10.238 10.343 1.00 5.24 C ATOM 96 O ILE A 8 -8.650 -9.511 10.960 1.00 22.41 O ATOM 97 CB ILE A 8 -9.381 -12.266 8.890 1.00 34.44 C ATOM 98 CG1 ILE A 8 -8.089 -13.061 8.692 1.00 50.15 C ATOM 99 CG2 ILE A 8 -10.369 -12.562 7.771 1.00 3.32 C ATOM 100 CD1 ILE A 8 -7.562 -13.012 7.275 1.00 63.14 C ATOM 0 H ILE A 8 -7.013 -10.814 9.315 1.00 34.24 H new ATOM 0 HA ILE A 8 -9.687 -10.242 8.210 1.00 1.24 H new ATOM 0 HB ILE A 8 -9.831 -12.570 9.835 1.00 34.44 H new ATOM 0 HG12 ILE A 8 -7.327 -12.675 9.368 1.00 50.15 H new ATOM 0 HG13 ILE A 8 -8.265 -14.100 8.970 1.00 50.15 H new ATOM 0 HG21 ILE A 8 -10.573 -13.632 7.739 1.00 3.32 H new ATOM 0 HG22 ILE A 8 -11.298 -12.021 7.953 1.00 3.32 H new ATOM 0 HG23 ILE A 8 -9.945 -12.245 6.818 1.00 3.32 H new ATOM 0 HD11 ILE A 8 -6.645 -13.597 7.208 1.00 63.14 H new ATOM 0 HD12 ILE A 8 -8.307 -13.426 6.595 1.00 63.14 H new ATOM 0 HD13 ILE A 8 -7.354 -11.978 7.000 1.00 63.14 H new ATOM 112 N ALA A 9 -10.605 -10.616 10.831 1.00 33.44 N ATOM 113 CA ALA A 9 -11.058 -10.192 12.150 1.00 3.33 C ATOM 114 C ALA A 9 -9.944 -10.329 13.183 1.00 34.22 C ATOM 115 O ALA A 9 -9.674 -9.401 13.946 1.00 34.41 O ATOM 116 CB ALA A 9 -12.277 -10.997 12.575 1.00 64.32 C ATOM 0 H ALA A 9 -11.262 -11.216 10.332 1.00 33.44 H new ATOM 0 HA ALA A 9 -11.335 -9.140 12.090 1.00 3.33 H new ATOM 0 HB1 ALA A 9 -12.604 -10.669 13.562 1.00 64.32 H new ATOM 0 HB2 ALA A 9 -13.083 -10.844 11.857 1.00 64.32 H new ATOM 0 HB3 ALA A 9 -12.019 -12.056 12.611 1.00 64.32 H new ATOM 122 N ASP A 10 -9.302 -11.492 13.203 1.00 51.25 N ATOM 123 CA ASP A 10 -8.217 -11.751 14.142 1.00 13.51 C ATOM 124 C ASP A 10 -7.270 -12.816 13.599 1.00 51.24 C ATOM 125 O ASP A 10 -7.066 -13.856 14.224 1.00 75.14 O ATOM 126 CB ASP A 10 -8.779 -12.192 15.494 1.00 34.12 C ATOM 127 CG ASP A 10 -9.763 -11.191 16.067 1.00 3.44 C ATOM 128 OD1 ASP A 10 -10.950 -11.237 15.682 1.00 30.35 O ATOM 129 OD2 ASP A 10 -9.345 -10.361 16.901 1.00 11.45 O ATOM 0 H ASP A 10 -9.514 -12.271 12.579 1.00 51.25 H new ATOM 0 HA ASP A 10 -7.656 -10.826 14.274 1.00 13.51 H new ATOM 0 HB2 ASP A 10 -9.272 -13.158 15.382 1.00 34.12 H new ATOM 0 HB3 ASP A 10 -7.958 -12.333 16.197 1.00 34.12 H new ATOM 134 N MET A 11 -6.695 -12.549 12.431 1.00 50.33 N ATOM 135 CA MET A 11 -5.769 -13.485 11.803 1.00 13.23 C ATOM 136 C MET A 11 -5.017 -12.819 10.656 1.00 52.35 C ATOM 137 O MET A 11 -5.410 -11.755 10.176 1.00 14.40 O ATOM 138 CB MET A 11 -6.523 -14.713 11.290 1.00 64.40 C ATOM 139 CG MET A 11 -5.737 -16.008 11.424 1.00 42.34 C ATOM 140 SD MET A 11 -6.798 -17.439 11.698 1.00 30.42 S ATOM 141 CE MET A 11 -7.869 -17.347 10.266 1.00 51.54 C ATOM 0 H MET A 11 -6.854 -11.693 11.900 1.00 50.33 H new ATOM 0 HA MET A 11 -5.044 -13.800 12.554 1.00 13.23 H new ATOM 0 HB2 MET A 11 -7.461 -14.808 11.837 1.00 64.40 H new ATOM 0 HB3 MET A 11 -6.780 -14.560 10.242 1.00 64.40 H new ATOM 0 HG2 MET A 11 -5.147 -16.166 10.521 1.00 42.34 H new ATOM 0 HG3 MET A 11 -5.034 -15.918 12.252 1.00 42.34 H new ATOM 0 HE1 MET A 11 -8.462 -18.259 10.196 1.00 51.54 H new ATOM 0 HE2 MET A 11 -8.533 -16.488 10.363 1.00 51.54 H new ATOM 0 HE3 MET A 11 -7.264 -17.238 9.366 1.00 51.54 H new ATOM 151 N THR A 12 -3.933 -13.451 10.218 1.00 25.14 N ATOM 152 CA THR A 12 -3.125 -12.919 9.128 1.00 22.13 C ATOM 153 C THR A 12 -2.778 -14.008 8.119 1.00 40.40 C ATOM 154 O THR A 12 -1.892 -14.829 8.356 1.00 34.25 O ATOM 155 CB THR A 12 -1.822 -12.286 9.652 1.00 63.14 C ATOM 156 OG1 THR A 12 -2.125 -11.209 10.546 1.00 63.25 O ATOM 157 CG2 THR A 12 -0.969 -11.772 8.501 1.00 35.20 C ATOM 0 H THR A 12 -3.594 -14.333 10.602 1.00 25.14 H new ATOM 0 HA THR A 12 -3.722 -12.150 8.638 1.00 22.13 H new ATOM 0 HB THR A 12 -1.260 -13.053 10.185 1.00 63.14 H new ATOM 0 HG1 THR A 12 -1.291 -10.813 10.876 1.00 63.25 H new ATOM 0 HG21 THR A 12 -0.054 -11.329 8.895 1.00 35.20 H new ATOM 0 HG22 THR A 12 -0.715 -12.599 7.838 1.00 35.20 H new ATOM 0 HG23 THR A 12 -1.526 -11.019 7.944 1.00 35.20 H new ATOM 165 N VAL A 13 -3.481 -14.008 6.991 1.00 41.22 N ATOM 166 CA VAL A 13 -3.246 -14.995 5.944 1.00 42.13 C ATOM 167 C VAL A 13 -2.240 -14.481 4.920 1.00 25.12 C ATOM 168 O VAL A 13 -2.193 -13.287 4.626 1.00 42.42 O ATOM 169 CB VAL A 13 -4.553 -15.367 5.220 1.00 72.42 C ATOM 170 CG1 VAL A 13 -4.300 -16.454 4.186 1.00 74.11 C ATOM 171 CG2 VAL A 13 -5.609 -15.809 6.222 1.00 54.33 C ATOM 0 H VAL A 13 -4.218 -13.335 6.779 1.00 41.22 H new ATOM 0 HA VAL A 13 -2.843 -15.883 6.431 1.00 42.13 H new ATOM 0 HB VAL A 13 -4.924 -14.484 4.700 1.00 72.42 H new ATOM 0 HG11 VAL A 13 -5.235 -16.704 3.685 1.00 74.11 H new ATOM 0 HG12 VAL A 13 -3.579 -16.096 3.451 1.00 74.11 H new ATOM 0 HG13 VAL A 13 -3.905 -17.342 4.680 1.00 74.11 H new ATOM 0 HG21 VAL A 13 -6.526 -16.068 5.693 1.00 54.33 H new ATOM 0 HG22 VAL A 13 -5.248 -16.679 6.771 1.00 54.33 H new ATOM 0 HG23 VAL A 13 -5.810 -14.997 6.921 1.00 54.33 H new ATOM 181 N ASP A 14 -1.436 -15.391 4.381 1.00 71.15 N ATOM 182 CA ASP A 14 -0.431 -15.031 3.388 1.00 43.34 C ATOM 183 C ASP A 14 -0.742 -15.676 2.041 1.00 43.55 C ATOM 184 O ASP A 14 -0.837 -16.898 1.934 1.00 51.21 O ATOM 185 CB ASP A 14 0.960 -15.456 3.861 1.00 1.45 C ATOM 186 CG ASP A 14 1.924 -14.289 3.947 1.00 1.32 C ATOM 187 OD1 ASP A 14 1.698 -13.394 4.788 1.00 43.41 O ATOM 188 OD2 ASP A 14 2.904 -14.270 3.173 1.00 60.11 O ATOM 0 H ASP A 14 -1.461 -16.383 4.615 1.00 71.15 H new ATOM 0 HA ASP A 14 -0.450 -13.948 3.265 1.00 43.34 H new ATOM 0 HB2 ASP A 14 0.879 -15.929 4.840 1.00 1.45 H new ATOM 0 HB3 ASP A 14 1.360 -16.204 3.177 1.00 1.45 H new ATOM 193 N MET A 15 -0.900 -14.845 1.015 1.00 3.01 N ATOM 194 CA MET A 15 -1.200 -15.335 -0.325 1.00 50.23 C ATOM 195 C MET A 15 0.074 -15.767 -1.044 1.00 40.33 C ATOM 196 O MET A 15 0.019 -16.396 -2.101 1.00 24.10 O ATOM 197 CB MET A 15 -1.917 -14.254 -1.138 1.00 23.45 C ATOM 198 CG MET A 15 -1.008 -13.115 -1.569 1.00 65.32 C ATOM 199 SD MET A 15 -1.872 -11.868 -2.542 1.00 42.55 S ATOM 200 CE MET A 15 -1.694 -12.542 -4.192 1.00 43.23 C ATOM 0 H MET A 15 -0.825 -13.830 1.086 1.00 3.01 H new ATOM 0 HA MET A 15 -1.854 -16.202 -0.230 1.00 50.23 H new ATOM 0 HB2 MET A 15 -2.359 -14.710 -2.024 1.00 23.45 H new ATOM 0 HB3 MET A 15 -2.737 -13.849 -0.545 1.00 23.45 H new ATOM 0 HG2 MET A 15 -0.576 -12.646 -0.685 1.00 65.32 H new ATOM 0 HG3 MET A 15 -0.180 -13.517 -2.153 1.00 65.32 H new ATOM 0 HE1 MET A 15 -2.179 -11.880 -4.910 1.00 43.23 H new ATOM 0 HE2 MET A 15 -0.636 -12.629 -4.437 1.00 43.23 H new ATOM 0 HE3 MET A 15 -2.159 -13.527 -4.235 1.00 43.23 H new ATOM 210 N VAL A 16 1.220 -15.424 -0.465 1.00 64.40 N ATOM 211 CA VAL A 16 2.508 -15.778 -1.050 1.00 42.44 C ATOM 212 C VAL A 16 3.163 -16.924 -0.288 1.00 13.24 C ATOM 213 O VAL A 16 3.885 -17.735 -0.866 1.00 62.53 O ATOM 214 CB VAL A 16 3.467 -14.572 -1.066 1.00 60.32 C ATOM 215 CG1 VAL A 16 3.019 -13.547 -2.097 1.00 23.12 C ATOM 216 CG2 VAL A 16 3.557 -13.946 0.317 1.00 43.40 C ATOM 0 H VAL A 16 1.283 -14.901 0.409 1.00 64.40 H new ATOM 0 HA VAL A 16 2.314 -16.093 -2.075 1.00 42.44 H new ATOM 0 HB VAL A 16 4.460 -14.923 -1.346 1.00 60.32 H new ATOM 0 HG11 VAL A 16 3.708 -12.703 -2.094 1.00 23.12 H new ATOM 0 HG12 VAL A 16 3.011 -14.005 -3.086 1.00 23.12 H new ATOM 0 HG13 VAL A 16 2.016 -13.198 -1.851 1.00 23.12 H new ATOM 0 HG21 VAL A 16 4.238 -13.096 0.288 1.00 43.40 H new ATOM 0 HG22 VAL A 16 2.569 -13.608 0.629 1.00 43.40 H new ATOM 0 HG23 VAL A 16 3.929 -14.685 1.027 1.00 43.40 H new ATOM 226 N ARG A 17 2.905 -16.984 1.015 1.00 75.33 N ATOM 227 CA ARG A 17 3.469 -18.031 1.858 1.00 63.13 C ATOM 228 C ARG A 17 2.431 -19.110 2.154 1.00 2.52 C ATOM 229 O ARG A 17 2.774 -20.222 2.554 1.00 64.22 O ATOM 230 CB ARG A 17 3.990 -17.436 3.167 1.00 12.42 C ATOM 231 CG ARG A 17 5.228 -16.572 2.994 1.00 45.05 C ATOM 232 CD ARG A 17 5.992 -16.424 4.300 1.00 11.23 C ATOM 233 NE ARG A 17 6.700 -17.649 4.663 1.00 52.24 N ATOM 234 CZ ARG A 17 7.780 -18.089 4.027 1.00 40.32 C ATOM 235 NH1 ARG A 17 8.274 -17.407 3.003 1.00 61.14 N ATOM 236 NH2 ARG A 17 8.369 -19.213 4.416 1.00 54.42 N ATOM 0 H ARG A 17 2.309 -16.320 1.509 1.00 75.33 H new ATOM 0 HA ARG A 17 4.299 -18.488 1.319 1.00 63.13 H new ATOM 0 HB2 ARG A 17 3.201 -16.838 3.624 1.00 12.42 H new ATOM 0 HB3 ARG A 17 4.217 -18.247 3.860 1.00 12.42 H new ATOM 0 HG2 ARG A 17 5.878 -17.014 2.239 1.00 45.05 H new ATOM 0 HG3 ARG A 17 4.937 -15.587 2.628 1.00 45.05 H new ATOM 0 HD2 ARG A 17 6.706 -15.605 4.211 1.00 11.23 H new ATOM 0 HD3 ARG A 17 5.298 -16.157 5.097 1.00 11.23 H new ATOM 0 HE ARG A 17 6.346 -18.196 5.447 1.00 52.24 H new ATOM 0 HH11 ARG A 17 7.825 -16.542 2.702 1.00 61.14 H new ATOM 0 HH12 ARG A 17 9.103 -17.747 2.516 1.00 61.14 H new ATOM 0 HH21 ARG A 17 7.992 -19.740 5.204 1.00 54.42 H new ATOM 0 HH22 ARG A 17 9.198 -19.550 3.927 1.00 54.42 H new ATOM 250 N ARG A 18 1.161 -18.772 1.956 1.00 3.51 N ATOM 251 CA ARG A 18 0.073 -19.710 2.204 1.00 44.03 C ATOM 252 C ARG A 18 0.061 -20.155 3.663 1.00 20.12 C ATOM 253 O ARG A 18 0.100 -21.350 3.960 1.00 1.42 O ATOM 254 CB ARG A 18 0.205 -20.929 1.289 1.00 54.13 C ATOM 255 CG ARG A 18 0.780 -20.604 -0.080 1.00 52.21 C ATOM 256 CD ARG A 18 -0.001 -19.492 -0.763 1.00 34.11 C ATOM 257 NE ARG A 18 -0.456 -19.881 -2.095 1.00 64.13 N ATOM 258 CZ ARG A 18 0.358 -20.029 -3.135 1.00 31.41 C ATOM 259 NH1 ARG A 18 1.660 -19.823 -2.997 1.00 2.25 N ATOM 260 NH2 ARG A 18 -0.131 -20.386 -4.316 1.00 0.31 N ATOM 0 H ARG A 18 0.860 -17.855 1.625 1.00 3.51 H new ATOM 0 HA ARG A 18 -0.867 -19.203 1.989 1.00 44.03 H new ATOM 0 HB2 ARG A 18 0.841 -21.670 1.774 1.00 54.13 H new ATOM 0 HB3 ARG A 18 -0.777 -21.386 1.162 1.00 54.13 H new ATOM 0 HG2 ARG A 18 1.823 -20.306 0.024 1.00 52.21 H new ATOM 0 HG3 ARG A 18 0.764 -21.498 -0.704 1.00 52.21 H new ATOM 0 HD2 ARG A 18 -0.862 -19.224 -0.150 1.00 34.11 H new ATOM 0 HD3 ARG A 18 0.625 -18.603 -0.839 1.00 34.11 H new ATOM 0 HE ARG A 18 -1.452 -20.048 -2.235 1.00 64.13 H new ATOM 0 HH11 ARG A 18 2.040 -19.550 -2.091 1.00 2.25 H new ATOM 0 HH12 ARG A 18 2.282 -19.937 -3.797 1.00 2.25 H new ATOM 0 HH21 ARG A 18 -1.132 -20.547 -4.426 1.00 0.31 H new ATOM 0 HH22 ARG A 18 0.494 -20.499 -5.114 1.00 0.31 H new ATOM 274 N THR A 19 0.007 -19.186 4.572 1.00 70.02 N ATOM 275 CA THR A 19 -0.009 -19.477 6.000 1.00 63.23 C ATOM 276 C THR A 19 -1.124 -18.713 6.704 1.00 21.24 C ATOM 277 O THR A 19 -1.798 -17.879 6.099 1.00 24.40 O ATOM 278 CB THR A 19 1.337 -19.123 6.660 1.00 22.40 C ATOM 279 OG1 THR A 19 1.439 -17.706 6.836 1.00 11.11 O ATOM 280 CG2 THR A 19 2.501 -19.619 5.816 1.00 62.45 C ATOM 0 H THR A 19 -0.026 -18.192 4.344 1.00 70.02 H new ATOM 0 HA THR A 19 -0.185 -20.548 6.103 1.00 63.23 H new ATOM 0 HB THR A 19 1.379 -19.613 7.633 1.00 22.40 H new ATOM 0 HG1 THR A 19 2.297 -17.490 7.258 1.00 11.11 H new ATOM 0 HG21 THR A 19 3.441 -19.357 6.302 1.00 62.45 H new ATOM 0 HG22 THR A 19 2.437 -20.702 5.709 1.00 62.45 H new ATOM 0 HG23 THR A 19 2.460 -19.154 4.831 1.00 62.45 H new ATOM 288 N VAL A 20 -1.314 -19.002 7.988 1.00 64.31 N ATOM 289 CA VAL A 20 -2.347 -18.341 8.776 1.00 5.30 C ATOM 290 C VAL A 20 -1.874 -18.093 10.204 1.00 2.31 C ATOM 291 O VAL A 20 -1.652 -19.033 10.967 1.00 21.22 O ATOM 292 CB VAL A 20 -3.643 -19.172 8.813 1.00 2.21 C ATOM 293 CG1 VAL A 20 -4.476 -18.917 7.566 1.00 33.15 C ATOM 294 CG2 VAL A 20 -3.322 -20.652 8.957 1.00 53.10 C ATOM 0 H VAL A 20 -0.766 -19.690 8.504 1.00 64.31 H new ATOM 0 HA VAL A 20 -2.551 -17.386 8.293 1.00 5.30 H new ATOM 0 HB VAL A 20 -4.228 -18.865 9.680 1.00 2.21 H new ATOM 0 HG11 VAL A 20 -5.388 -19.513 7.610 1.00 33.15 H new ATOM 0 HG12 VAL A 20 -4.735 -17.860 7.512 1.00 33.15 H new ATOM 0 HG13 VAL A 20 -3.902 -19.196 6.682 1.00 33.15 H new ATOM 0 HG21 VAL A 20 -4.249 -21.225 8.982 1.00 53.10 H new ATOM 0 HG22 VAL A 20 -2.717 -20.977 8.111 1.00 53.10 H new ATOM 0 HG23 VAL A 20 -2.770 -20.816 9.882 1.00 53.10 H new ATOM 304 N ILE A 21 -1.722 -16.821 10.559 1.00 73.22 N ATOM 305 CA ILE A 21 -1.277 -16.450 11.896 1.00 15.52 C ATOM 306 C ILE A 21 -2.429 -15.884 12.721 1.00 24.00 C ATOM 307 O ILE A 21 -3.008 -14.855 12.373 1.00 73.20 O ATOM 308 CB ILE A 21 -0.141 -15.412 11.843 1.00 25.02 C ATOM 309 CG1 ILE A 21 1.136 -16.050 11.291 1.00 1.13 C ATOM 310 CG2 ILE A 21 0.108 -14.828 13.226 1.00 51.53 C ATOM 311 CD1 ILE A 21 1.148 -16.170 9.783 1.00 4.15 C ATOM 0 H ILE A 21 -1.901 -16.031 9.939 1.00 73.22 H new ATOM 0 HA ILE A 21 -0.906 -17.359 12.369 1.00 15.52 H new ATOM 0 HB ILE A 21 -0.439 -14.603 11.176 1.00 25.02 H new ATOM 0 HG12 ILE A 21 1.995 -15.457 11.607 1.00 1.13 H new ATOM 0 HG13 ILE A 21 1.255 -17.042 11.727 1.00 1.13 H new ATOM 0 HG21 ILE A 21 0.914 -14.096 13.172 1.00 51.53 H new ATOM 0 HG22 ILE A 21 -0.800 -14.343 13.585 1.00 51.53 H new ATOM 0 HG23 ILE A 21 0.389 -15.626 13.913 1.00 51.53 H new ATOM 0 HD11 ILE A 21 2.082 -16.630 9.462 1.00 4.15 H new ATOM 0 HD12 ILE A 21 0.310 -16.787 9.460 1.00 4.15 H new ATOM 0 HD13 ILE A 21 1.061 -15.179 9.338 1.00 4.15 H new ATOM 323 N ARG A 22 -2.753 -16.562 13.817 1.00 74.43 N ATOM 324 CA ARG A 22 -3.835 -16.127 14.692 1.00 21.42 C ATOM 325 C ARG A 22 -3.291 -15.330 15.874 1.00 44.12 C ATOM 326 O ARG A 22 -2.736 -15.897 16.815 1.00 2.32 O ATOM 327 CB ARG A 22 -4.626 -17.335 15.199 1.00 12.41 C ATOM 328 CG ARG A 22 -6.107 -17.054 15.395 1.00 51.43 C ATOM 329 CD ARG A 22 -6.335 -15.953 16.419 1.00 23.34 C ATOM 330 NE ARG A 22 -5.922 -16.360 17.760 1.00 33.11 N ATOM 331 CZ ARG A 22 -6.677 -17.095 18.570 1.00 43.32 C ATOM 332 NH1 ARG A 22 -7.876 -17.501 18.177 1.00 61.33 N ATOM 333 NH2 ARG A 22 -6.232 -17.425 19.776 1.00 44.54 N ATOM 0 H ARG A 22 -2.282 -17.414 14.120 1.00 74.43 H new ATOM 0 HA ARG A 22 -4.498 -15.482 14.115 1.00 21.42 H new ATOM 0 HB2 ARG A 22 -4.511 -18.157 14.492 1.00 12.41 H new ATOM 0 HB3 ARG A 22 -4.199 -17.667 16.146 1.00 12.41 H new ATOM 0 HG2 ARG A 22 -6.553 -16.765 14.443 1.00 51.43 H new ATOM 0 HG3 ARG A 22 -6.611 -17.964 15.720 1.00 51.43 H new ATOM 0 HD2 ARG A 22 -5.781 -15.062 16.123 1.00 23.34 H new ATOM 0 HD3 ARG A 22 -7.391 -15.682 16.431 1.00 23.34 H new ATOM 0 HE ARG A 22 -5.004 -16.064 18.093 1.00 33.11 H new ATOM 0 HH11 ARG A 22 -8.221 -17.249 17.251 1.00 61.33 H new ATOM 0 HH12 ARG A 22 -8.453 -18.065 18.801 1.00 61.33 H new ATOM 0 HH21 ARG A 22 -5.310 -17.114 20.082 1.00 44.54 H new ATOM 0 HH22 ARG A 22 -6.812 -17.989 20.397 1.00 44.54 H new ATOM 347 N SER A 23 -3.453 -14.012 15.817 1.00 40.14 N ATOM 348 CA SER A 23 -2.974 -13.136 16.880 1.00 52.04 C ATOM 349 C SER A 23 -1.504 -13.406 17.185 1.00 42.54 C ATOM 350 O SER A 23 -1.050 -13.231 18.315 1.00 55.21 O ATOM 351 CB SER A 23 -3.813 -13.329 18.145 1.00 42.54 C ATOM 352 OG SER A 23 -4.973 -12.516 18.116 1.00 54.14 O ATOM 0 H SER A 23 -3.912 -13.527 15.046 1.00 40.14 H new ATOM 0 HA SER A 23 -3.073 -12.105 16.540 1.00 52.04 H new ATOM 0 HB2 SER A 23 -4.101 -14.376 18.238 1.00 42.54 H new ATOM 0 HB3 SER A 23 -3.215 -13.084 19.023 1.00 42.54 H new ATOM 0 HG SER A 23 -5.493 -12.659 18.934 1.00 54.14 H new ATOM 358 N GLY A 24 -0.763 -13.833 16.166 1.00 32.14 N ATOM 359 CA GLY A 24 0.648 -14.121 16.345 1.00 40.52 C ATOM 360 C GLY A 24 0.910 -15.588 16.622 1.00 44.51 C ATOM 361 O GLY A 24 1.990 -15.957 17.084 1.00 43.32 O ATOM 0 H GLY A 24 -1.115 -13.984 15.221 1.00 32.14 H new ATOM 0 HA2 GLY A 24 1.193 -13.820 15.450 1.00 40.52 H new ATOM 0 HA3 GLY A 24 1.036 -13.524 17.170 1.00 40.52 H new ATOM 365 N LYS A 25 -0.080 -16.427 16.341 1.00 71.41 N ATOM 366 CA LYS A 25 0.047 -17.863 16.563 1.00 42.14 C ATOM 367 C LYS A 25 -0.379 -18.645 15.324 1.00 45.41 C ATOM 368 O LYS A 25 -1.567 -18.745 15.019 1.00 60.44 O ATOM 369 CB LYS A 25 -0.798 -18.291 17.764 1.00 21.14 C ATOM 370 CG LYS A 25 -0.347 -17.673 19.076 1.00 10.24 C ATOM 371 CD LYS A 25 -0.999 -16.320 19.308 1.00 4.22 C ATOM 372 CE LYS A 25 -0.873 -15.882 20.759 1.00 1.04 C ATOM 373 NZ LYS A 25 0.536 -15.947 21.238 1.00 34.35 N ATOM 0 H LYS A 25 -0.980 -16.138 15.959 1.00 71.41 H new ATOM 0 HA LYS A 25 1.095 -18.082 16.767 1.00 42.14 H new ATOM 0 HB2 LYS A 25 -1.837 -18.018 17.582 1.00 21.14 H new ATOM 0 HB3 LYS A 25 -0.764 -19.377 17.853 1.00 21.14 H new ATOM 0 HG2 LYS A 25 -0.595 -18.343 19.899 1.00 10.24 H new ATOM 0 HG3 LYS A 25 0.737 -17.560 19.072 1.00 10.24 H new ATOM 0 HD2 LYS A 25 -0.535 -15.576 18.661 1.00 4.22 H new ATOM 0 HD3 LYS A 25 -2.052 -16.370 19.032 1.00 4.22 H new ATOM 0 HE2 LYS A 25 -1.246 -14.863 20.864 1.00 1.04 H new ATOM 0 HE3 LYS A 25 -1.499 -16.517 21.386 1.00 1.04 H new ATOM 0 HZ1 LYS A 25 0.615 -15.455 22.151 1.00 34.35 H new ATOM 0 HZ2 LYS A 25 0.818 -16.941 21.355 1.00 34.35 H new ATOM 0 HZ3 LYS A 25 1.160 -15.490 20.543 1.00 34.35 H new ATOM 387 N LYS A 26 0.599 -19.198 14.614 1.00 0.21 N ATOM 388 CA LYS A 26 0.326 -19.973 13.410 1.00 63.31 C ATOM 389 C LYS A 26 -0.496 -21.215 13.737 1.00 32.53 C ATOM 390 O LYS A 26 -0.194 -21.939 14.687 1.00 0.41 O ATOM 391 CB LYS A 26 1.637 -20.380 12.733 1.00 60.41 C ATOM 392 CG LYS A 26 1.445 -21.299 11.538 1.00 0.33 C ATOM 393 CD LYS A 26 2.776 -21.699 10.923 1.00 35.34 C ATOM 394 CE LYS A 26 3.428 -20.533 10.198 1.00 42.50 C ATOM 395 NZ LYS A 26 4.857 -20.807 9.879 1.00 75.05 N ATOM 0 H LYS A 26 1.588 -19.124 14.852 1.00 0.21 H new ATOM 0 HA LYS A 26 -0.250 -19.347 12.728 1.00 63.31 H new ATOM 0 HB2 LYS A 26 2.163 -19.482 12.409 1.00 60.41 H new ATOM 0 HB3 LYS A 26 2.275 -20.877 13.464 1.00 60.41 H new ATOM 0 HG2 LYS A 26 0.903 -22.193 11.848 1.00 0.33 H new ATOM 0 HG3 LYS A 26 0.832 -20.799 10.788 1.00 0.33 H new ATOM 0 HD2 LYS A 26 3.444 -22.063 11.704 1.00 35.34 H new ATOM 0 HD3 LYS A 26 2.623 -22.523 10.226 1.00 35.34 H new ATOM 0 HE2 LYS A 26 2.883 -20.328 9.277 1.00 42.50 H new ATOM 0 HE3 LYS A 26 3.359 -19.637 10.815 1.00 42.50 H new ATOM 0 HZ1 LYS A 26 5.266 -19.988 9.385 1.00 75.05 H new ATOM 0 HZ2 LYS A 26 5.383 -20.978 10.760 1.00 75.05 H new ATOM 0 HZ3 LYS A 26 4.922 -21.647 9.269 1.00 75.05 H new ATOM 409 N ILE A 27 -1.535 -21.458 12.945 1.00 41.51 N ATOM 410 CA ILE A 27 -2.398 -22.614 13.150 1.00 53.21 C ATOM 411 C ILE A 27 -1.848 -23.844 12.436 1.00 31.25 C ATOM 412 O ILE A 27 -1.273 -23.741 11.352 1.00 34.32 O ATOM 413 CB ILE A 27 -3.830 -22.343 12.651 1.00 11.34 C ATOM 414 CG1 ILE A 27 -4.420 -21.125 13.366 1.00 51.15 C ATOM 415 CG2 ILE A 27 -4.707 -23.567 12.868 1.00 51.10 C ATOM 416 CD1 ILE A 27 -4.646 -21.343 14.845 1.00 4.33 C ATOM 0 H ILE A 27 -1.799 -20.869 12.155 1.00 41.51 H new ATOM 0 HA ILE A 27 -2.425 -22.801 14.223 1.00 53.21 H new ATOM 0 HB ILE A 27 -3.793 -22.132 11.582 1.00 11.34 H new ATOM 0 HG12 ILE A 27 -3.751 -20.275 13.230 1.00 51.15 H new ATOM 0 HG13 ILE A 27 -5.368 -20.862 12.897 1.00 51.15 H new ATOM 0 HG21 ILE A 27 -5.716 -23.360 12.510 1.00 51.10 H new ATOM 0 HG22 ILE A 27 -4.294 -24.413 12.318 1.00 51.10 H new ATOM 0 HG23 ILE A 27 -4.741 -23.807 13.931 1.00 51.10 H new ATOM 0 HD11 ILE A 27 -5.065 -20.439 15.286 1.00 4.33 H new ATOM 0 HD12 ILE A 27 -5.339 -22.172 14.989 1.00 4.33 H new ATOM 0 HD13 ILE A 27 -3.697 -21.576 15.328 1.00 4.33 H new ATOM 428 N HIS A 28 -2.029 -25.009 13.051 1.00 15.44 N ATOM 429 CA HIS A 28 -1.553 -26.260 12.474 1.00 73.51 C ATOM 430 C HIS A 28 -2.661 -26.950 11.682 1.00 3.53 C ATOM 431 O HIS A 28 -3.839 -26.848 12.026 1.00 53.22 O ATOM 432 CB HIS A 28 -1.041 -27.192 13.573 1.00 12.42 C ATOM 433 CG HIS A 28 -0.128 -26.518 14.551 1.00 34.33 C ATOM 434 ND1 HIS A 28 -0.347 -26.525 15.913 1.00 71.33 N ATOM 435 CD2 HIS A 28 1.012 -25.816 14.359 1.00 44.33 C ATOM 436 CE1 HIS A 28 0.619 -25.855 16.515 1.00 14.31 C ATOM 437 NE2 HIS A 28 1.457 -25.414 15.594 1.00 31.13 N ATOM 0 H HIS A 28 -2.502 -25.112 13.949 1.00 15.44 H new ATOM 0 HA HIS A 28 -0.734 -26.028 11.794 1.00 73.51 H new ATOM 0 HB2 HIS A 28 -1.893 -27.609 14.111 1.00 12.42 H new ATOM 0 HB3 HIS A 28 -0.514 -28.028 13.113 1.00 12.42 H new ATOM 0 HD2 HIS A 28 1.485 -25.610 13.410 1.00 44.33 H new ATOM 0 HE1 HIS A 28 0.709 -25.695 17.579 1.00 14.31 H new ATOM 0 HE2 HIS A 28 2.298 -24.864 15.771 1.00 31.13 H new ATOM 445 N LEU A 29 -2.275 -27.650 10.621 1.00 0.34 N ATOM 446 CA LEU A 29 -3.235 -28.355 9.780 1.00 73.41 C ATOM 447 C LEU A 29 -2.546 -29.439 8.958 1.00 65.33 C ATOM 448 O LEU A 29 -1.335 -29.639 9.064 1.00 60.31 O ATOM 449 CB LEU A 29 -3.949 -27.372 8.851 1.00 11.53 C ATOM 450 CG LEU A 29 -3.074 -26.285 8.224 1.00 34.40 C ATOM 451 CD1 LEU A 29 -3.571 -25.940 6.829 1.00 40.13 C ATOM 452 CD2 LEU A 29 -3.050 -25.045 9.106 1.00 63.34 C ATOM 0 H LEU A 29 -1.304 -27.744 10.323 1.00 0.34 H new ATOM 0 HA LEU A 29 -3.970 -28.829 10.431 1.00 73.41 H new ATOM 0 HB2 LEU A 29 -4.421 -27.939 8.048 1.00 11.53 H new ATOM 0 HB3 LEU A 29 -4.749 -26.888 9.412 1.00 11.53 H new ATOM 0 HG LEU A 29 -2.056 -26.667 8.141 1.00 34.40 H new ATOM 0 HD11 LEU A 29 -2.937 -25.165 6.398 1.00 40.13 H new ATOM 0 HD12 LEU A 29 -3.536 -26.829 6.200 1.00 40.13 H new ATOM 0 HD13 LEU A 29 -4.597 -25.578 6.888 1.00 40.13 H new ATOM 0 HD21 LEU A 29 -2.423 -24.282 8.644 1.00 63.34 H new ATOM 0 HD22 LEU A 29 -4.063 -24.661 9.221 1.00 63.34 H new ATOM 0 HD23 LEU A 29 -2.646 -25.303 10.085 1.00 63.34 H new ATOM 464 N THR A 30 -3.324 -30.136 8.135 1.00 24.44 N ATOM 465 CA THR A 30 -2.788 -31.199 7.294 1.00 72.11 C ATOM 466 C THR A 30 -2.776 -30.785 5.827 1.00 72.42 C ATOM 467 O THR A 30 -3.112 -29.651 5.489 1.00 74.43 O ATOM 468 CB THR A 30 -3.603 -32.498 7.443 1.00 41.22 C ATOM 469 OG1 THR A 30 -2.884 -33.596 6.870 1.00 3.31 O ATOM 470 CG2 THR A 30 -4.960 -32.366 6.767 1.00 25.01 C ATOM 0 H THR A 30 -4.327 -29.983 8.033 1.00 24.44 H new ATOM 0 HA THR A 30 -1.766 -31.380 7.626 1.00 72.11 H new ATOM 0 HB THR A 30 -3.760 -32.682 8.506 1.00 41.22 H new ATOM 0 HG1 THR A 30 -3.345 -33.903 6.062 1.00 3.31 H new ATOM 0 HG21 THR A 30 -5.517 -33.295 6.885 1.00 25.01 H new ATOM 0 HG22 THR A 30 -5.517 -31.548 7.225 1.00 25.01 H new ATOM 0 HG23 THR A 30 -4.819 -32.160 5.706 1.00 25.01 H new ATOM 478 N GLY A 31 -2.387 -31.714 4.958 1.00 50.31 N ATOM 479 CA GLY A 31 -2.339 -31.426 3.536 1.00 13.34 C ATOM 480 C GLY A 31 -3.699 -31.064 2.972 1.00 1.12 C ATOM 481 O GLY A 31 -3.856 -30.027 2.328 1.00 55.40 O ATOM 0 H GLY A 31 -2.104 -32.660 5.213 1.00 50.31 H new ATOM 0 HA2 GLY A 31 -1.645 -30.605 3.358 1.00 13.34 H new ATOM 0 HA3 GLY A 31 -1.948 -32.294 3.005 1.00 13.34 H new ATOM 485 N LYS A 32 -4.685 -31.922 3.212 1.00 3.25 N ATOM 486 CA LYS A 32 -6.039 -31.689 2.724 1.00 44.42 C ATOM 487 C LYS A 32 -6.573 -30.349 3.220 1.00 0.01 C ATOM 488 O LYS A 32 -7.018 -29.518 2.430 1.00 52.52 O ATOM 489 CB LYS A 32 -6.967 -32.819 3.174 1.00 11.43 C ATOM 490 CG LYS A 32 -6.742 -34.124 2.430 1.00 13.34 C ATOM 491 CD LYS A 32 -7.446 -35.284 3.115 1.00 42.25 C ATOM 492 CE LYS A 32 -6.901 -36.623 2.642 1.00 51.12 C ATOM 493 NZ LYS A 32 -7.393 -36.973 1.281 1.00 53.45 N ATOM 0 H LYS A 32 -4.571 -32.786 3.742 1.00 3.25 H new ATOM 0 HA LYS A 32 -6.007 -31.666 1.635 1.00 44.42 H new ATOM 0 HB2 LYS A 32 -6.826 -32.990 4.241 1.00 11.43 H new ATOM 0 HB3 LYS A 32 -8.002 -32.505 3.035 1.00 11.43 H new ATOM 0 HG2 LYS A 32 -7.107 -34.029 1.407 1.00 13.34 H new ATOM 0 HG3 LYS A 32 -5.673 -34.330 2.370 1.00 13.34 H new ATOM 0 HD2 LYS A 32 -7.322 -35.200 4.195 1.00 42.25 H new ATOM 0 HD3 LYS A 32 -8.516 -35.233 2.912 1.00 42.25 H new ATOM 0 HE2 LYS A 32 -5.812 -36.590 2.637 1.00 51.12 H new ATOM 0 HE3 LYS A 32 -7.193 -37.403 3.345 1.00 51.12 H new ATOM 0 HZ1 LYS A 32 -6.999 -37.892 0.995 1.00 53.45 H new ATOM 0 HZ2 LYS A 32 -8.431 -37.029 1.291 1.00 53.45 H new ATOM 0 HZ3 LYS A 32 -7.093 -36.242 0.605 1.00 53.45 H new ATOM 507 N GLU A 33 -6.524 -30.147 4.533 1.00 30.12 N ATOM 508 CA GLU A 33 -7.003 -28.907 5.133 1.00 31.41 C ATOM 509 C GLU A 33 -6.245 -27.705 4.577 1.00 30.41 C ATOM 510 O GLU A 33 -6.797 -26.612 4.455 1.00 12.42 O ATOM 511 CB GLU A 33 -6.852 -28.960 6.655 1.00 54.31 C ATOM 512 CG GLU A 33 -7.966 -29.724 7.351 1.00 61.32 C ATOM 513 CD GLU A 33 -7.803 -31.227 7.233 1.00 34.32 C ATOM 514 OE1 GLU A 33 -8.065 -31.768 6.138 1.00 1.20 O ATOM 515 OE2 GLU A 33 -7.415 -31.863 8.235 1.00 13.15 O ATOM 0 H GLU A 33 -6.158 -30.825 5.201 1.00 30.12 H new ATOM 0 HA GLU A 33 -8.058 -28.796 4.883 1.00 31.41 H new ATOM 0 HB2 GLU A 33 -5.896 -29.423 6.901 1.00 54.31 H new ATOM 0 HB3 GLU A 33 -6.822 -27.942 7.044 1.00 54.31 H new ATOM 0 HG2 GLU A 33 -7.989 -29.446 8.405 1.00 61.32 H new ATOM 0 HG3 GLU A 33 -8.925 -29.431 6.923 1.00 61.32 H new ATOM 522 N TYR A 34 -4.977 -27.917 4.242 1.00 12.41 N ATOM 523 CA TYR A 34 -4.142 -26.851 3.702 1.00 44.21 C ATOM 524 C TYR A 34 -4.553 -26.507 2.273 1.00 24.34 C ATOM 525 O TYR A 34 -4.497 -25.349 1.860 1.00 5.01 O ATOM 526 CB TYR A 34 -2.669 -27.262 3.736 1.00 63.13 C ATOM 527 CG TYR A 34 -1.762 -26.329 2.966 1.00 64.14 C ATOM 528 CD1 TYR A 34 -1.528 -26.519 1.609 1.00 24.11 C ATOM 529 CD2 TYR A 34 -1.138 -25.259 3.594 1.00 0.42 C ATOM 530 CE1 TYR A 34 -0.699 -25.670 0.901 1.00 11.34 C ATOM 531 CE2 TYR A 34 -0.309 -24.403 2.894 1.00 32.42 C ATOM 532 CZ TYR A 34 -0.093 -24.613 1.548 1.00 23.22 C ATOM 533 OH TYR A 34 0.733 -23.764 0.848 1.00 63.33 O ATOM 0 H TYR A 34 -4.505 -28.817 4.335 1.00 12.41 H new ATOM 0 HA TYR A 34 -4.280 -25.966 4.323 1.00 44.21 H new ATOM 0 HB2 TYR A 34 -2.336 -27.305 4.773 1.00 63.13 H new ATOM 0 HB3 TYR A 34 -2.572 -28.268 3.328 1.00 63.13 H new ATOM 0 HD1 TYR A 34 -2.002 -27.345 1.099 1.00 24.11 H new ATOM 0 HD2 TYR A 34 -1.304 -25.093 4.648 1.00 0.42 H new ATOM 0 HE1 TYR A 34 -0.527 -25.833 -0.153 1.00 11.34 H new ATOM 0 HE2 TYR A 34 0.167 -23.575 3.398 1.00 32.42 H new ATOM 0 HH TYR A 34 0.439 -23.717 -0.086 1.00 63.33 H new ATOM 543 N VAL A 35 -4.967 -27.523 1.523 1.00 22.51 N ATOM 544 CA VAL A 35 -5.390 -27.331 0.141 1.00 4.11 C ATOM 545 C VAL A 35 -6.711 -26.573 0.071 1.00 23.21 C ATOM 546 O VAL A 35 -6.951 -25.807 -0.863 1.00 2.21 O ATOM 547 CB VAL A 35 -5.543 -28.677 -0.592 1.00 1.04 C ATOM 548 CG1 VAL A 35 -6.404 -28.513 -1.835 1.00 21.31 C ATOM 549 CG2 VAL A 35 -4.179 -29.247 -0.949 1.00 44.12 C ATOM 0 H VAL A 35 -5.019 -28.488 1.849 1.00 22.51 H new ATOM 0 HA VAL A 35 -4.612 -26.746 -0.350 1.00 4.11 H new ATOM 0 HB VAL A 35 -6.041 -29.380 0.075 1.00 1.04 H new ATOM 0 HG11 VAL A 35 -6.501 -29.474 -2.340 1.00 21.31 H new ATOM 0 HG12 VAL A 35 -7.392 -28.152 -1.548 1.00 21.31 H new ATOM 0 HG13 VAL A 35 -5.937 -27.795 -2.509 1.00 21.31 H new ATOM 0 HG21 VAL A 35 -4.306 -30.198 -1.466 1.00 44.12 H new ATOM 0 HG22 VAL A 35 -3.651 -28.548 -1.598 1.00 44.12 H new ATOM 0 HG23 VAL A 35 -3.601 -29.404 -0.039 1.00 44.12 H new ATOM 559 N LEU A 36 -7.565 -26.792 1.065 1.00 41.33 N ATOM 560 CA LEU A 36 -8.863 -26.129 1.117 1.00 13.20 C ATOM 561 C LEU A 36 -8.716 -24.678 1.565 1.00 74.05 C ATOM 562 O LEU A 36 -9.414 -23.791 1.071 1.00 71.01 O ATOM 563 CB LEU A 36 -9.801 -26.875 2.068 1.00 71.24 C ATOM 564 CG LEU A 36 -10.690 -27.944 1.431 1.00 14.12 C ATOM 565 CD1 LEU A 36 -11.768 -27.300 0.573 1.00 51.11 C ATOM 566 CD2 LEU A 36 -9.855 -28.910 0.605 1.00 65.33 C ATOM 0 H LEU A 36 -7.382 -27.423 1.845 1.00 41.33 H new ATOM 0 HA LEU A 36 -9.289 -26.139 0.114 1.00 13.20 H new ATOM 0 HB2 LEU A 36 -9.199 -27.347 2.844 1.00 71.24 H new ATOM 0 HB3 LEU A 36 -10.442 -26.145 2.562 1.00 71.24 H new ATOM 0 HG LEU A 36 -11.176 -28.506 2.228 1.00 14.12 H new ATOM 0 HD11 LEU A 36 -12.391 -28.076 0.128 1.00 51.11 H new ATOM 0 HD12 LEU A 36 -12.386 -26.650 1.192 1.00 51.11 H new ATOM 0 HD13 LEU A 36 -11.301 -26.712 -0.217 1.00 51.11 H new ATOM 0 HD21 LEU A 36 -10.505 -29.663 0.160 1.00 65.33 H new ATOM 0 HD22 LEU A 36 -9.340 -28.363 -0.184 1.00 65.33 H new ATOM 0 HD23 LEU A 36 -9.121 -29.397 1.247 1.00 65.33 H new ATOM 578 N LEU A 37 -7.803 -24.443 2.500 1.00 15.34 N ATOM 579 CA LEU A 37 -7.563 -23.098 3.013 1.00 25.54 C ATOM 580 C LEU A 37 -6.719 -22.286 2.036 1.00 13.32 C ATOM 581 O LEU A 37 -7.067 -21.157 1.692 1.00 11.43 O ATOM 582 CB LEU A 37 -6.864 -23.168 4.372 1.00 1.45 C ATOM 583 CG LEU A 37 -7.777 -23.144 5.599 1.00 52.34 C ATOM 584 CD1 LEU A 37 -8.427 -21.777 5.754 1.00 64.31 C ATOM 585 CD2 LEU A 37 -8.837 -24.231 5.496 1.00 62.13 C ATOM 0 H LEU A 37 -7.217 -25.165 2.919 1.00 15.34 H new ATOM 0 HA LEU A 37 -8.527 -22.602 3.131 1.00 25.54 H new ATOM 0 HB2 LEU A 37 -6.268 -24.080 4.405 1.00 1.45 H new ATOM 0 HB3 LEU A 37 -6.170 -22.331 4.444 1.00 1.45 H new ATOM 0 HG LEU A 37 -7.170 -23.338 6.483 1.00 52.34 H new ATOM 0 HD11 LEU A 37 -9.073 -21.779 6.632 1.00 64.31 H new ATOM 0 HD12 LEU A 37 -7.654 -21.018 5.874 1.00 64.31 H new ATOM 0 HD13 LEU A 37 -9.020 -21.554 4.867 1.00 64.31 H new ATOM 0 HD21 LEU A 37 -9.478 -24.199 6.377 1.00 62.13 H new ATOM 0 HD22 LEU A 37 -9.440 -24.068 4.603 1.00 62.13 H new ATOM 0 HD23 LEU A 37 -8.354 -25.206 5.434 1.00 62.13 H new ATOM 597 N GLU A 38 -5.611 -22.869 1.591 1.00 23.45 N ATOM 598 CA GLU A 38 -4.719 -22.199 0.652 1.00 12.24 C ATOM 599 C GLU A 38 -5.494 -21.674 -0.553 1.00 63.43 C ATOM 600 O GLU A 38 -5.186 -20.608 -1.088 1.00 22.15 O ATOM 601 CB GLU A 38 -3.618 -23.155 0.189 1.00 52.14 C ATOM 602 CG GLU A 38 -4.107 -24.227 -0.771 1.00 52.41 C ATOM 603 CD GLU A 38 -3.995 -23.805 -2.223 1.00 41.52 C ATOM 604 OE1 GLU A 38 -3.662 -22.628 -2.476 1.00 2.14 O ATOM 605 OE2 GLU A 38 -4.240 -24.652 -3.107 1.00 52.13 O ATOM 0 H GLU A 38 -5.309 -23.804 1.865 1.00 23.45 H new ATOM 0 HA GLU A 38 -4.262 -21.353 1.165 1.00 12.24 H new ATOM 0 HB2 GLU A 38 -2.828 -22.580 -0.294 1.00 52.14 H new ATOM 0 HB3 GLU A 38 -3.175 -23.635 1.061 1.00 52.14 H new ATOM 0 HG2 GLU A 38 -3.530 -25.139 -0.616 1.00 52.41 H new ATOM 0 HG3 GLU A 38 -5.146 -24.465 -0.545 1.00 52.41 H new ATOM 612 N LEU A 39 -6.500 -22.431 -0.977 1.00 62.23 N ATOM 613 CA LEU A 39 -7.319 -22.044 -2.120 1.00 73.35 C ATOM 614 C LEU A 39 -8.351 -20.994 -1.721 1.00 22.35 C ATOM 615 O LEU A 39 -8.589 -20.032 -2.452 1.00 74.51 O ATOM 616 CB LEU A 39 -8.023 -23.270 -2.707 1.00 2.43 C ATOM 617 CG LEU A 39 -8.022 -23.379 -4.232 1.00 4.41 C ATOM 618 CD1 LEU A 39 -8.702 -22.169 -4.854 1.00 45.10 C ATOM 619 CD2 LEU A 39 -6.600 -23.521 -4.755 1.00 62.42 C ATOM 0 H LEU A 39 -6.768 -23.316 -0.547 1.00 62.23 H new ATOM 0 HA LEU A 39 -6.663 -21.613 -2.876 1.00 73.35 H new ATOM 0 HB2 LEU A 39 -7.552 -24.164 -2.299 1.00 2.43 H new ATOM 0 HB3 LEU A 39 -9.057 -23.269 -2.364 1.00 2.43 H new ATOM 0 HG LEU A 39 -8.583 -24.270 -4.514 1.00 4.41 H new ATOM 0 HD11 LEU A 39 -8.692 -22.264 -5.940 1.00 45.10 H new ATOM 0 HD12 LEU A 39 -9.733 -22.111 -4.504 1.00 45.10 H new ATOM 0 HD13 LEU A 39 -8.169 -21.263 -4.564 1.00 45.10 H new ATOM 0 HD21 LEU A 39 -6.618 -23.597 -5.842 1.00 62.42 H new ATOM 0 HD22 LEU A 39 -6.016 -22.649 -4.462 1.00 62.42 H new ATOM 0 HD23 LEU A 39 -6.146 -24.419 -4.336 1.00 62.42 H new ATOM 631 N LEU A 40 -8.958 -21.184 -0.555 1.00 14.35 N ATOM 632 CA LEU A 40 -9.963 -20.252 -0.055 1.00 54.41 C ATOM 633 C LEU A 40 -9.368 -18.861 0.138 1.00 42.31 C ATOM 634 O LEU A 40 -9.929 -17.864 -0.320 1.00 32.25 O ATOM 635 CB LEU A 40 -10.545 -20.758 1.266 1.00 10.41 C ATOM 636 CG LEU A 40 -12.024 -21.146 1.243 1.00 23.34 C ATOM 637 CD1 LEU A 40 -12.214 -22.480 0.538 1.00 71.10 C ATOM 638 CD2 LEU A 40 -12.582 -21.205 2.658 1.00 44.41 C ATOM 0 H LEU A 40 -8.772 -21.975 0.062 1.00 14.35 H new ATOM 0 HA LEU A 40 -10.761 -20.186 -0.795 1.00 54.41 H new ATOM 0 HB2 LEU A 40 -9.967 -21.625 1.586 1.00 10.41 H new ATOM 0 HB3 LEU A 40 -10.404 -19.985 2.022 1.00 10.41 H new ATOM 0 HG LEU A 40 -12.572 -20.384 0.689 1.00 23.34 H new ATOM 0 HD11 LEU A 40 -13.272 -22.740 0.531 1.00 71.10 H new ATOM 0 HD12 LEU A 40 -11.852 -22.404 -0.487 1.00 71.10 H new ATOM 0 HD13 LEU A 40 -11.654 -23.253 1.064 1.00 71.10 H new ATOM 0 HD21 LEU A 40 -13.635 -21.483 2.622 1.00 44.41 H new ATOM 0 HD22 LEU A 40 -12.031 -21.947 3.236 1.00 44.41 H new ATOM 0 HD23 LEU A 40 -12.480 -20.228 3.130 1.00 44.41 H new ATOM 650 N LEU A 41 -8.227 -18.800 0.816 1.00 70.22 N ATOM 651 CA LEU A 41 -7.553 -17.531 1.068 1.00 61.24 C ATOM 652 C LEU A 41 -7.012 -16.936 -0.228 1.00 45.21 C ATOM 653 O LEU A 41 -7.140 -15.736 -0.471 1.00 64.35 O ATOM 654 CB LEU A 41 -6.412 -17.727 2.068 1.00 14.31 C ATOM 655 CG LEU A 41 -5.329 -18.727 1.664 1.00 42.24 C ATOM 656 CD1 LEU A 41 -4.170 -18.013 0.984 1.00 34.12 C ATOM 657 CD2 LEU A 41 -4.841 -19.504 2.877 1.00 24.23 C ATOM 0 H LEU A 41 -7.749 -19.615 1.201 1.00 70.22 H new ATOM 0 HA LEU A 41 -8.281 -16.838 1.489 1.00 61.24 H new ATOM 0 HB2 LEU A 41 -5.939 -16.761 2.243 1.00 14.31 H new ATOM 0 HB3 LEU A 41 -6.839 -18.049 3.018 1.00 14.31 H new ATOM 0 HG LEU A 41 -5.760 -19.433 0.955 1.00 42.24 H new ATOM 0 HD11 LEU A 41 -3.409 -18.741 0.703 1.00 34.12 H new ATOM 0 HD12 LEU A 41 -4.531 -17.503 0.091 1.00 34.12 H new ATOM 0 HD13 LEU A 41 -3.739 -17.283 1.670 1.00 34.12 H new ATOM 0 HD21 LEU A 41 -4.070 -20.211 2.570 1.00 24.23 H new ATOM 0 HD22 LEU A 41 -4.427 -18.812 3.610 1.00 24.23 H new ATOM 0 HD23 LEU A 41 -5.675 -20.047 3.321 1.00 24.23 H new ATOM 669 N GLN A 42 -6.409 -17.783 -1.056 1.00 43.11 N ATOM 670 CA GLN A 42 -5.850 -17.340 -2.328 1.00 5.22 C ATOM 671 C GLN A 42 -6.924 -16.703 -3.203 1.00 32.04 C ATOM 672 O GLN A 42 -6.728 -15.620 -3.755 1.00 63.50 O ATOM 673 CB GLN A 42 -5.207 -18.517 -3.064 1.00 41.51 C ATOM 674 CG GLN A 42 -4.586 -18.134 -4.398 1.00 3.33 C ATOM 675 CD GLN A 42 -3.892 -16.787 -4.353 1.00 5.21 C ATOM 676 OE1 GLN A 42 -3.138 -16.494 -3.424 1.00 34.12 O ATOM 677 NE2 GLN A 42 -4.142 -15.958 -5.360 1.00 3.23 N ATOM 0 H GLN A 42 -6.295 -18.779 -0.869 1.00 43.11 H new ATOM 0 HA GLN A 42 -5.087 -16.590 -2.119 1.00 5.22 H new ATOM 0 HB2 GLN A 42 -4.439 -18.957 -2.428 1.00 41.51 H new ATOM 0 HB3 GLN A 42 -5.961 -19.286 -3.231 1.00 41.51 H new ATOM 0 HG2 GLN A 42 -3.868 -18.899 -4.693 1.00 3.33 H new ATOM 0 HG3 GLN A 42 -5.362 -18.113 -5.163 1.00 3.33 H new ATOM 0 HE21 GLN A 42 -4.773 -16.241 -6.109 1.00 3.23 H new ATOM 0 HE22 GLN A 42 -3.703 -15.038 -5.384 1.00 3.23 H new ATOM 686 N ARG A 43 -8.060 -17.382 -3.324 1.00 71.15 N ATOM 687 CA ARG A 43 -9.165 -16.883 -4.134 1.00 35.23 C ATOM 688 C ARG A 43 -10.169 -16.122 -3.273 1.00 34.23 C ATOM 689 O ARG A 43 -11.340 -15.991 -3.633 1.00 43.51 O ATOM 690 CB ARG A 43 -9.865 -18.041 -4.849 1.00 1.41 C ATOM 691 CG ARG A 43 -8.941 -18.851 -5.744 1.00 12.23 C ATOM 692 CD ARG A 43 -8.247 -17.970 -6.770 1.00 43.05 C ATOM 693 NE ARG A 43 -9.195 -17.357 -7.696 1.00 41.44 N ATOM 694 CZ ARG A 43 -8.849 -16.851 -8.875 1.00 2.42 C ATOM 695 NH1 ARG A 43 -7.583 -16.885 -9.269 1.00 33.20 N ATOM 696 NH2 ARG A 43 -9.769 -16.309 -9.662 1.00 15.10 N ATOM 0 H ARG A 43 -8.239 -18.279 -2.872 1.00 71.15 H new ATOM 0 HA ARG A 43 -8.757 -16.199 -4.878 1.00 35.23 H new ATOM 0 HB2 ARG A 43 -10.308 -18.702 -4.104 1.00 1.41 H new ATOM 0 HB3 ARG A 43 -10.683 -17.645 -5.450 1.00 1.41 H new ATOM 0 HG2 ARG A 43 -8.194 -19.358 -5.134 1.00 12.23 H new ATOM 0 HG3 ARG A 43 -9.514 -19.625 -6.255 1.00 12.23 H new ATOM 0 HD2 ARG A 43 -7.685 -17.189 -6.257 1.00 43.05 H new ATOM 0 HD3 ARG A 43 -7.526 -18.565 -7.331 1.00 43.05 H new ATOM 0 HE ARG A 43 -10.177 -17.315 -7.423 1.00 41.44 H new ATOM 0 HH11 ARG A 43 -6.872 -17.300 -8.667 1.00 33.20 H new ATOM 0 HH12 ARG A 43 -7.320 -16.496 -10.174 1.00 33.20 H new ATOM 0 HH21 ARG A 43 -10.744 -16.280 -9.362 1.00 15.10 H new ATOM 0 HH22 ARG A 43 -9.502 -15.921 -10.567 1.00 15.10 H new ATOM 710 N THR A 44 -9.704 -15.623 -2.132 1.00 12.32 N ATOM 711 CA THR A 44 -10.561 -14.877 -1.219 1.00 4.35 C ATOM 712 C THR A 44 -11.302 -13.762 -1.947 1.00 42.41 C ATOM 713 O THR A 44 -10.763 -13.138 -2.860 1.00 44.12 O ATOM 714 CB THR A 44 -9.750 -14.267 -0.060 1.00 4.23 C ATOM 715 OG1 THR A 44 -10.624 -13.579 0.842 1.00 73.32 O ATOM 716 CG2 THR A 44 -8.696 -13.304 -0.585 1.00 5.21 C ATOM 0 H THR A 44 -8.739 -15.722 -1.818 1.00 12.32 H new ATOM 0 HA THR A 44 -11.284 -15.586 -0.814 1.00 4.35 H new ATOM 0 HB THR A 44 -9.248 -15.078 0.468 1.00 4.23 H new ATOM 0 HG1 THR A 44 -10.100 -13.196 1.576 1.00 73.32 H new ATOM 0 HG21 THR A 44 -8.136 -12.886 0.252 1.00 5.21 H new ATOM 0 HG22 THR A 44 -8.014 -13.837 -1.248 1.00 5.21 H new ATOM 0 HG23 THR A 44 -9.181 -12.498 -1.136 1.00 5.21 H new ATOM 724 N GLY A 45 -12.542 -13.515 -1.537 1.00 13.14 N ATOM 725 CA GLY A 45 -13.337 -12.474 -2.161 1.00 51.33 C ATOM 726 C GLY A 45 -14.237 -13.010 -3.257 1.00 33.14 C ATOM 727 O GLY A 45 -15.248 -12.394 -3.595 1.00 23.53 O ATOM 0 H GLY A 45 -13.010 -14.018 -0.783 1.00 13.14 H new ATOM 0 HA2 GLY A 45 -13.946 -11.983 -1.403 1.00 51.33 H new ATOM 0 HA3 GLY A 45 -12.674 -11.716 -2.578 1.00 51.33 H new ATOM 731 N GLU A 46 -13.869 -14.160 -3.813 1.00 51.23 N ATOM 732 CA GLU A 46 -14.650 -14.777 -4.879 1.00 14.42 C ATOM 733 C GLU A 46 -14.935 -16.243 -4.566 1.00 11.21 C ATOM 734 O GLU A 46 -14.116 -16.929 -3.954 1.00 14.10 O ATOM 735 CB GLU A 46 -13.912 -14.663 -6.214 1.00 52.33 C ATOM 736 CG GLU A 46 -12.449 -15.065 -6.137 1.00 70.11 C ATOM 737 CD GLU A 46 -11.783 -15.108 -7.499 1.00 33.31 C ATOM 738 OE1 GLU A 46 -12.240 -15.890 -8.359 1.00 21.24 O ATOM 739 OE2 GLU A 46 -10.805 -14.359 -7.704 1.00 72.23 O ATOM 0 H GLU A 46 -13.036 -14.683 -3.543 1.00 51.23 H new ATOM 0 HA GLU A 46 -15.600 -14.248 -4.951 1.00 14.42 H new ATOM 0 HB2 GLU A 46 -14.414 -15.289 -6.952 1.00 52.33 H new ATOM 0 HB3 GLU A 46 -13.979 -13.635 -6.570 1.00 52.33 H new ATOM 0 HG2 GLU A 46 -11.916 -14.361 -5.498 1.00 70.11 H new ATOM 0 HG3 GLU A 46 -12.370 -16.045 -5.667 1.00 70.11 H new ATOM 746 N VAL A 47 -16.102 -16.716 -4.990 1.00 74.51 N ATOM 747 CA VAL A 47 -16.496 -18.101 -4.756 1.00 52.33 C ATOM 748 C VAL A 47 -15.864 -19.033 -5.784 1.00 0.13 C ATOM 749 O VAL A 47 -15.850 -18.739 -6.980 1.00 2.53 O ATOM 750 CB VAL A 47 -18.027 -18.265 -4.804 1.00 41.51 C ATOM 751 CG1 VAL A 47 -18.420 -19.703 -4.506 1.00 23.42 C ATOM 752 CG2 VAL A 47 -18.695 -17.308 -3.829 1.00 14.53 C ATOM 0 H VAL A 47 -16.791 -16.161 -5.497 1.00 74.51 H new ATOM 0 HA VAL A 47 -16.140 -18.367 -3.761 1.00 52.33 H new ATOM 0 HB VAL A 47 -18.370 -18.022 -5.810 1.00 41.51 H new ATOM 0 HG11 VAL A 47 -19.505 -19.799 -4.544 1.00 23.42 H new ATOM 0 HG12 VAL A 47 -17.971 -20.364 -5.247 1.00 23.42 H new ATOM 0 HG13 VAL A 47 -18.066 -19.978 -3.512 1.00 23.42 H new ATOM 0 HG21 VAL A 47 -19.776 -17.437 -3.876 1.00 14.53 H new ATOM 0 HG22 VAL A 47 -18.348 -17.518 -2.817 1.00 14.53 H new ATOM 0 HG23 VAL A 47 -18.440 -16.282 -4.094 1.00 14.53 H new ATOM 762 N LEU A 48 -15.342 -20.159 -5.310 1.00 41.13 N ATOM 763 CA LEU A 48 -14.708 -21.137 -6.188 1.00 42.40 C ATOM 764 C LEU A 48 -15.495 -22.443 -6.207 1.00 12.21 C ATOM 765 O LEU A 48 -16.234 -22.764 -5.276 1.00 60.51 O ATOM 766 CB LEU A 48 -13.271 -21.401 -5.736 1.00 4.32 C ATOM 767 CG LEU A 48 -12.972 -21.135 -4.260 1.00 44.50 C ATOM 768 CD1 LEU A 48 -11.805 -21.989 -3.789 1.00 35.50 C ATOM 769 CD2 LEU A 48 -12.679 -19.659 -4.033 1.00 12.52 C ATOM 0 H LEU A 48 -15.345 -20.417 -4.323 1.00 41.13 H new ATOM 0 HA LEU A 48 -14.695 -20.727 -7.198 1.00 42.40 H new ATOM 0 HB2 LEU A 48 -13.028 -22.441 -5.954 1.00 4.32 H new ATOM 0 HB3 LEU A 48 -12.603 -20.785 -6.338 1.00 4.32 H new ATOM 0 HG LEU A 48 -13.852 -21.405 -3.677 1.00 44.50 H new ATOM 0 HD11 LEU A 48 -11.607 -21.786 -2.737 1.00 35.50 H new ATOM 0 HD12 LEU A 48 -12.051 -23.043 -3.915 1.00 35.50 H new ATOM 0 HD13 LEU A 48 -10.919 -21.751 -4.377 1.00 35.50 H new ATOM 0 HD21 LEU A 48 -12.468 -19.488 -2.977 1.00 12.52 H new ATOM 0 HD22 LEU A 48 -11.815 -19.364 -4.628 1.00 12.52 H new ATOM 0 HD23 LEU A 48 -13.544 -19.066 -4.331 1.00 12.52 H new ATOM 781 N PRO A 49 -15.333 -23.216 -7.291 1.00 55.11 N ATOM 782 CA PRO A 49 -16.019 -24.501 -7.456 1.00 62.12 C ATOM 783 C PRO A 49 -15.494 -25.565 -6.498 1.00 61.24 C ATOM 784 O PRO A 49 -14.586 -25.308 -5.707 1.00 74.32 O ATOM 785 CB PRO A 49 -15.708 -24.885 -8.905 1.00 23.41 C ATOM 786 CG PRO A 49 -14.433 -24.180 -9.219 1.00 35.34 C ATOM 787 CD PRO A 49 -14.469 -22.895 -8.439 1.00 4.01 C ATOM 0 HA PRO A 49 -17.085 -24.425 -7.240 1.00 62.12 H new ATOM 0 HB2 PRO A 49 -15.601 -25.964 -9.014 1.00 23.41 H new ATOM 0 HB3 PRO A 49 -16.508 -24.575 -9.577 1.00 23.41 H new ATOM 0 HG2 PRO A 49 -13.572 -24.785 -8.935 1.00 35.34 H new ATOM 0 HG3 PRO A 49 -14.347 -23.986 -10.288 1.00 35.34 H new ATOM 0 HD2 PRO A 49 -13.472 -22.591 -8.119 1.00 4.01 H new ATOM 0 HD3 PRO A 49 -14.877 -22.076 -9.032 1.00 4.01 H new ATOM 795 N ARG A 50 -16.070 -26.760 -6.576 1.00 32.34 N ATOM 796 CA ARG A 50 -15.660 -27.863 -5.715 1.00 34.14 C ATOM 797 C ARG A 50 -14.869 -28.903 -6.502 1.00 42.14 C ATOM 798 O ARG A 50 -13.943 -29.521 -5.978 1.00 21.25 O ATOM 799 CB ARG A 50 -16.884 -28.518 -5.072 1.00 32.15 C ATOM 800 CG ARG A 50 -16.623 -29.925 -4.558 1.00 0.41 C ATOM 801 CD ARG A 50 -17.144 -30.976 -5.525 1.00 23.42 C ATOM 802 NE ARG A 50 -18.080 -31.895 -4.882 1.00 64.12 N ATOM 803 CZ ARG A 50 -19.322 -31.565 -4.549 1.00 54.54 C ATOM 804 NH1 ARG A 50 -19.776 -30.344 -4.798 1.00 12.24 N ATOM 805 NH2 ARG A 50 -20.114 -32.456 -3.967 1.00 71.24 N ATOM 0 H ARG A 50 -16.822 -26.989 -7.226 1.00 32.34 H new ATOM 0 HA ARG A 50 -15.018 -27.460 -4.932 1.00 34.14 H new ATOM 0 HB2 ARG A 50 -17.226 -27.896 -4.245 1.00 32.15 H new ATOM 0 HB3 ARG A 50 -17.693 -28.551 -5.802 1.00 32.15 H new ATOM 0 HG2 ARG A 50 -15.553 -30.066 -4.408 1.00 0.41 H new ATOM 0 HG3 ARG A 50 -17.101 -30.053 -3.587 1.00 0.41 H new ATOM 0 HD2 ARG A 50 -17.637 -30.484 -6.364 1.00 23.42 H new ATOM 0 HD3 ARG A 50 -16.306 -31.540 -5.934 1.00 23.42 H new ATOM 0 HE ARG A 50 -17.762 -32.842 -4.678 1.00 64.12 H new ATOM 0 HH11 ARG A 50 -19.171 -29.656 -5.246 1.00 12.24 H new ATOM 0 HH12 ARG A 50 -20.731 -30.093 -4.541 1.00 12.24 H new ATOM 0 HH21 ARG A 50 -19.769 -33.396 -3.775 1.00 71.24 H new ATOM 0 HH22 ARG A 50 -21.068 -32.201 -3.712 1.00 71.24 H new ATOM 819 N SER A 51 -15.240 -29.090 -7.765 1.00 34.22 N ATOM 820 CA SER A 51 -14.568 -30.058 -8.624 1.00 13.11 C ATOM 821 C SER A 51 -13.110 -29.667 -8.845 1.00 72.23 C ATOM 822 O SER A 51 -12.252 -30.523 -9.065 1.00 31.32 O ATOM 823 CB SER A 51 -15.289 -30.165 -9.969 1.00 13.10 C ATOM 824 OG SER A 51 -14.484 -30.828 -10.928 1.00 31.41 O ATOM 0 H SER A 51 -16.002 -28.584 -8.216 1.00 34.22 H new ATOM 0 HA SER A 51 -14.595 -31.028 -8.128 1.00 13.11 H new ATOM 0 HB2 SER A 51 -16.227 -30.706 -9.840 1.00 13.10 H new ATOM 0 HB3 SER A 51 -15.543 -29.168 -10.329 1.00 13.10 H new ATOM 0 HG SER A 51 -14.968 -30.885 -11.778 1.00 31.41 H new ATOM 830 N LEU A 52 -12.837 -28.369 -8.786 1.00 41.42 N ATOM 831 CA LEU A 52 -11.483 -27.862 -8.980 1.00 63.11 C ATOM 832 C LEU A 52 -10.625 -28.115 -7.745 1.00 24.33 C ATOM 833 O LEU A 52 -9.544 -28.698 -7.837 1.00 5.44 O ATOM 834 CB LEU A 52 -11.517 -26.365 -9.293 1.00 62.22 C ATOM 835 CG LEU A 52 -10.165 -25.707 -9.575 1.00 35.34 C ATOM 836 CD1 LEU A 52 -9.399 -26.491 -10.628 1.00 71.54 C ATOM 837 CD2 LEU A 52 -10.357 -24.264 -10.016 1.00 3.53 C ATOM 0 H LEU A 52 -13.535 -27.648 -8.605 1.00 41.42 H new ATOM 0 HA LEU A 52 -11.040 -28.393 -9.823 1.00 63.11 H new ATOM 0 HB2 LEU A 52 -12.162 -26.210 -10.158 1.00 62.22 H new ATOM 0 HB3 LEU A 52 -11.981 -25.849 -8.453 1.00 62.22 H new ATOM 0 HG LEU A 52 -9.581 -25.710 -8.654 1.00 35.34 H new ATOM 0 HD11 LEU A 52 -8.440 -26.008 -10.815 1.00 71.54 H new ATOM 0 HD12 LEU A 52 -9.230 -27.508 -10.273 1.00 71.54 H new ATOM 0 HD13 LEU A 52 -9.977 -26.520 -11.552 1.00 71.54 H new ATOM 0 HD21 LEU A 52 -9.385 -23.811 -10.212 1.00 3.53 H new ATOM 0 HD22 LEU A 52 -10.960 -24.238 -10.924 1.00 3.53 H new ATOM 0 HD23 LEU A 52 -10.864 -23.707 -9.228 1.00 3.53 H new ATOM 849 N ILE A 53 -11.114 -27.676 -6.590 1.00 54.03 N ATOM 850 CA ILE A 53 -10.394 -27.858 -5.336 1.00 62.25 C ATOM 851 C ILE A 53 -10.113 -29.334 -5.073 1.00 54.20 C ATOM 852 O ILE A 53 -9.002 -29.708 -4.700 1.00 45.02 O ATOM 853 CB ILE A 53 -11.179 -27.276 -4.146 1.00 41.02 C ATOM 854 CG1 ILE A 53 -11.492 -25.798 -4.388 1.00 2.23 C ATOM 855 CG2 ILE A 53 -10.393 -27.453 -2.856 1.00 5.41 C ATOM 856 CD1 ILE A 53 -12.522 -25.235 -3.434 1.00 1.32 C ATOM 0 H ILE A 53 -12.007 -27.191 -6.497 1.00 54.03 H new ATOM 0 HA ILE A 53 -9.450 -27.322 -5.434 1.00 62.25 H new ATOM 0 HB ILE A 53 -12.121 -27.816 -4.051 1.00 41.02 H new ATOM 0 HG12 ILE A 53 -10.572 -25.221 -4.299 1.00 2.23 H new ATOM 0 HG13 ILE A 53 -11.849 -25.673 -5.410 1.00 2.23 H new ATOM 0 HG21 ILE A 53 -10.961 -27.037 -2.024 1.00 5.41 H new ATOM 0 HG22 ILE A 53 -10.217 -28.514 -2.680 1.00 5.41 H new ATOM 0 HG23 ILE A 53 -9.437 -26.935 -2.938 1.00 5.41 H new ATOM 0 HD11 ILE A 53 -12.694 -24.184 -3.664 1.00 1.32 H new ATOM 0 HD12 ILE A 53 -13.456 -25.787 -3.539 1.00 1.32 H new ATOM 0 HD13 ILE A 53 -12.159 -25.328 -2.410 1.00 1.32 H new ATOM 868 N SER A 54 -11.129 -30.168 -5.271 1.00 60.12 N ATOM 869 CA SER A 54 -10.993 -31.603 -5.053 1.00 63.52 C ATOM 870 C SER A 54 -9.820 -32.165 -5.852 1.00 34.32 C ATOM 871 O SER A 54 -9.189 -33.141 -5.445 1.00 40.35 O ATOM 872 CB SER A 54 -12.284 -32.325 -5.445 1.00 3.01 C ATOM 873 OG SER A 54 -12.268 -33.673 -5.007 1.00 3.41 O ATOM 0 H SER A 54 -12.055 -29.874 -5.582 1.00 60.12 H new ATOM 0 HA SER A 54 -10.801 -31.768 -3.993 1.00 63.52 H new ATOM 0 HB2 SER A 54 -13.140 -31.808 -5.010 1.00 3.01 H new ATOM 0 HB3 SER A 54 -12.408 -32.293 -6.527 1.00 3.01 H new ATOM 0 HG SER A 54 -12.891 -34.201 -5.549 1.00 3.41 H new ATOM 879 N SER A 55 -9.536 -31.542 -6.991 1.00 25.03 N ATOM 880 CA SER A 55 -8.442 -31.981 -7.850 1.00 21.15 C ATOM 881 C SER A 55 -7.093 -31.586 -7.256 1.00 40.12 C ATOM 882 O SER A 55 -6.084 -32.257 -7.477 1.00 2.20 O ATOM 883 CB SER A 55 -8.592 -31.381 -9.249 1.00 22.02 C ATOM 884 OG SER A 55 -7.337 -30.971 -9.765 1.00 73.41 O ATOM 0 H SER A 55 -10.048 -30.732 -7.341 1.00 25.03 H new ATOM 0 HA SER A 55 -8.483 -33.068 -7.923 1.00 21.15 H new ATOM 0 HB2 SER A 55 -9.041 -32.116 -9.917 1.00 22.02 H new ATOM 0 HB3 SER A 55 -9.270 -30.528 -9.212 1.00 22.02 H new ATOM 0 HG SER A 55 -7.459 -30.593 -10.661 1.00 73.41 H new ATOM 890 N LEU A 56 -7.083 -30.492 -6.502 1.00 33.40 N ATOM 891 CA LEU A 56 -5.859 -30.006 -5.875 1.00 41.05 C ATOM 892 C LEU A 56 -5.401 -30.951 -4.769 1.00 43.12 C ATOM 893 O LEU A 56 -4.282 -30.840 -4.267 1.00 70.14 O ATOM 894 CB LEU A 56 -6.077 -28.603 -5.306 1.00 23.12 C ATOM 895 CG LEU A 56 -5.440 -27.454 -6.089 1.00 21.42 C ATOM 896 CD1 LEU A 56 -3.933 -27.443 -5.888 1.00 5.51 C ATOM 897 CD2 LEU A 56 -5.782 -27.563 -7.568 1.00 21.03 C ATOM 0 H LEU A 56 -7.909 -29.925 -6.310 1.00 33.40 H new ATOM 0 HA LEU A 56 -5.081 -29.965 -6.637 1.00 41.05 H new ATOM 0 HB2 LEU A 56 -7.150 -28.421 -5.242 1.00 23.12 H new ATOM 0 HB3 LEU A 56 -5.689 -28.581 -4.288 1.00 23.12 H new ATOM 0 HG LEU A 56 -5.843 -26.514 -5.712 1.00 21.42 H new ATOM 0 HD11 LEU A 56 -3.497 -26.619 -6.452 1.00 5.51 H new ATOM 0 HD12 LEU A 56 -3.708 -27.317 -4.829 1.00 5.51 H new ATOM 0 HD13 LEU A 56 -3.512 -28.386 -6.238 1.00 5.51 H new ATOM 0 HD21 LEU A 56 -5.321 -26.737 -8.110 1.00 21.03 H new ATOM 0 HD22 LEU A 56 -5.407 -28.509 -7.959 1.00 21.03 H new ATOM 0 HD23 LEU A 56 -6.864 -27.521 -7.695 1.00 21.03 H new ATOM 909 N VAL A 57 -6.272 -31.882 -4.395 1.00 32.32 N ATOM 910 CA VAL A 57 -5.956 -32.849 -3.350 1.00 71.34 C ATOM 911 C VAL A 57 -6.096 -34.278 -3.864 1.00 14.03 C ATOM 912 O VAL A 57 -5.102 -34.953 -4.130 1.00 41.33 O ATOM 913 CB VAL A 57 -6.866 -32.665 -2.121 1.00 60.43 C ATOM 914 CG1 VAL A 57 -6.121 -31.944 -1.009 1.00 12.44 C ATOM 915 CG2 VAL A 57 -8.131 -31.912 -2.503 1.00 50.24 C ATOM 0 H VAL A 57 -7.202 -31.987 -4.800 1.00 32.32 H new ATOM 0 HA VAL A 57 -4.922 -32.671 -3.056 1.00 71.34 H new ATOM 0 HB VAL A 57 -7.155 -33.650 -1.753 1.00 60.43 H new ATOM 0 HG11 VAL A 57 -6.780 -31.823 -0.149 1.00 12.44 H new ATOM 0 HG12 VAL A 57 -5.248 -32.528 -0.718 1.00 12.44 H new ATOM 0 HG13 VAL A 57 -5.801 -30.964 -1.362 1.00 12.44 H new ATOM 0 HG21 VAL A 57 -8.762 -31.791 -1.623 1.00 50.24 H new ATOM 0 HG22 VAL A 57 -7.866 -30.931 -2.897 1.00 50.24 H new ATOM 0 HG23 VAL A 57 -8.673 -32.474 -3.264 1.00 50.24 H new ATOM 925 N TRP A 58 -7.337 -34.732 -4.000 1.00 62.30 N ATOM 926 CA TRP A 58 -7.607 -36.082 -4.482 1.00 54.03 C ATOM 927 C TRP A 58 -7.692 -36.109 -6.004 1.00 74.34 C ATOM 928 O TRP A 58 -6.771 -36.567 -6.678 1.00 65.02 O ATOM 929 CB TRP A 58 -8.909 -36.611 -3.877 1.00 1.50 C ATOM 930 CG TRP A 58 -9.333 -37.932 -4.442 1.00 70.32 C ATOM 931 CD1 TRP A 58 -8.521 -38.973 -4.792 1.00 45.44 C ATOM 932 CD2 TRP A 58 -10.672 -38.354 -4.724 1.00 0.21 C ATOM 933 NE1 TRP A 58 -9.274 -40.016 -5.275 1.00 42.40 N ATOM 934 CE2 TRP A 58 -10.597 -39.661 -5.242 1.00 64.45 C ATOM 935 CE3 TRP A 58 -11.927 -37.755 -4.587 1.00 31.13 C ATOM 936 CZ2 TRP A 58 -11.728 -40.377 -5.624 1.00 55.20 C ATOM 937 CZ3 TRP A 58 -13.049 -38.466 -4.966 1.00 75.42 C ATOM 938 CH2 TRP A 58 -12.944 -39.766 -5.479 1.00 75.20 C ATOM 0 H TRP A 58 -8.171 -34.186 -3.784 1.00 62.30 H new ATOM 0 HA TRP A 58 -6.783 -36.724 -4.171 1.00 54.03 H new ATOM 0 HB2 TRP A 58 -8.787 -36.708 -2.798 1.00 1.50 H new ATOM 0 HB3 TRP A 58 -9.701 -35.881 -4.044 1.00 1.50 H new ATOM 0 HD1 TRP A 58 -7.445 -38.976 -4.702 1.00 45.44 H new ATOM 0 HE1 TRP A 58 -8.908 -40.909 -5.604 1.00 42.40 H new ATOM 0 HE3 TRP A 58 -12.018 -36.754 -4.192 1.00 31.13 H new ATOM 0 HZ2 TRP A 58 -11.649 -41.378 -6.020 1.00 55.20 H new ATOM 0 HZ3 TRP A 58 -14.024 -38.012 -4.865 1.00 75.42 H new ATOM 0 HH2 TRP A 58 -13.840 -40.296 -5.766 1.00 75.20 H new ATOM 949 N ASN A 59 -8.804 -35.616 -6.540 1.00 34.12 N ATOM 950 CA ASN A 59 -9.009 -35.585 -7.983 1.00 40.24 C ATOM 951 C ASN A 59 -10.300 -34.851 -8.334 1.00 42.01 C ATOM 952 O ASN A 59 -11.014 -34.375 -7.452 1.00 71.03 O ATOM 953 CB ASN A 59 -9.049 -37.008 -8.545 1.00 13.53 C ATOM 954 CG ASN A 59 -8.503 -37.088 -9.957 1.00 41.51 C ATOM 955 OD1 ASN A 59 -7.438 -36.547 -10.254 1.00 43.41 O ATOM 956 ND2 ASN A 59 -9.233 -37.765 -10.836 1.00 45.21 N ATOM 0 H ASN A 59 -9.577 -35.232 -5.996 1.00 34.12 H new ATOM 0 HA ASN A 59 -8.173 -35.048 -8.432 1.00 40.24 H new ATOM 0 HB2 ASN A 59 -8.472 -37.668 -7.897 1.00 13.53 H new ATOM 0 HB3 ASN A 59 -10.077 -37.371 -8.535 1.00 13.53 H new ATOM 0 HD21 ASN A 59 -8.917 -37.853 -11.802 1.00 45.21 H new ATOM 0 HD22 ASN A 59 -10.110 -38.197 -10.545 1.00 45.21 H new ATOM 963 N MET A 60 -10.592 -34.764 -9.628 1.00 20.33 N ATOM 964 CA MET A 60 -11.798 -34.090 -10.095 1.00 22.21 C ATOM 965 C MET A 60 -12.813 -35.098 -10.625 1.00 40.42 C ATOM 966 O MET A 60 -12.594 -35.728 -11.659 1.00 10.31 O ATOM 967 CB MET A 60 -11.450 -33.076 -11.186 1.00 54.13 C ATOM 968 CG MET A 60 -10.527 -33.630 -12.259 1.00 3.21 C ATOM 969 SD MET A 60 -10.093 -32.401 -13.505 1.00 12.53 S ATOM 970 CE MET A 60 -10.706 -33.193 -14.990 1.00 11.43 C ATOM 0 H MET A 60 -10.010 -35.151 -10.371 1.00 20.33 H new ATOM 0 HA MET A 60 -12.242 -33.565 -9.250 1.00 22.21 H new ATOM 0 HB2 MET A 60 -12.371 -32.728 -11.655 1.00 54.13 H new ATOM 0 HB3 MET A 60 -10.979 -32.207 -10.726 1.00 54.13 H new ATOM 0 HG2 MET A 60 -9.616 -34.005 -11.791 1.00 3.21 H new ATOM 0 HG3 MET A 60 -11.009 -34.479 -12.744 1.00 3.21 H new ATOM 0 HE1 MET A 60 -10.511 -32.553 -15.851 1.00 11.43 H new ATOM 0 HE2 MET A 60 -10.201 -34.149 -15.127 1.00 11.43 H new ATOM 0 HE3 MET A 60 -11.779 -33.359 -14.897 1.00 11.43 H new ATOM 980 N ASN A 61 -13.924 -35.244 -9.910 1.00 63.20 N ATOM 981 CA ASN A 61 -14.972 -36.176 -10.309 1.00 32.10 C ATOM 982 C ASN A 61 -15.913 -35.534 -11.324 1.00 32.21 C ATOM 983 O ASN A 61 -15.895 -34.319 -11.522 1.00 63.20 O ATOM 984 CB ASN A 61 -15.764 -36.640 -9.085 1.00 0.14 C ATOM 985 CG ASN A 61 -16.422 -37.989 -9.299 1.00 21.42 C ATOM 986 OD1 ASN A 61 -17.645 -38.113 -9.237 1.00 52.20 O ATOM 987 ND2 ASN A 61 -15.610 -39.010 -9.552 1.00 13.51 N ATOM 0 H ASN A 61 -14.121 -34.729 -9.052 1.00 63.20 H new ATOM 0 HA ASN A 61 -14.498 -37.040 -10.775 1.00 32.10 H new ATOM 0 HB2 ASN A 61 -15.097 -36.697 -8.224 1.00 0.14 H new ATOM 0 HB3 ASN A 61 -16.528 -35.900 -8.848 1.00 0.14 H new ATOM 0 HD21 ASN A 61 -15.995 -39.942 -9.704 1.00 13.51 H new ATOM 0 HD22 ASN A 61 -14.602 -38.861 -9.594 1.00 13.51 H new ATOM 994 N PHE A 62 -16.736 -36.359 -11.964 1.00 3.31 N ATOM 995 CA PHE A 62 -17.684 -35.872 -12.959 1.00 33.21 C ATOM 996 C PHE A 62 -19.055 -35.635 -12.333 1.00 35.03 C ATOM 997 O PHE A 62 -19.845 -34.831 -12.828 1.00 53.10 O ATOM 998 CB PHE A 62 -17.804 -36.871 -14.112 1.00 4.01 C ATOM 999 CG PHE A 62 -16.541 -37.015 -14.913 1.00 74.11 C ATOM 1000 CD1 PHE A 62 -16.069 -35.963 -15.681 1.00 25.30 C ATOM 1001 CD2 PHE A 62 -15.828 -38.203 -14.899 1.00 0.13 C ATOM 1002 CE1 PHE A 62 -14.907 -36.092 -16.419 1.00 71.51 C ATOM 1003 CE2 PHE A 62 -14.666 -38.338 -15.634 1.00 42.24 C ATOM 1004 CZ PHE A 62 -14.205 -37.282 -16.397 1.00 14.25 C ATOM 0 H PHE A 62 -16.765 -37.367 -11.811 1.00 3.31 H new ATOM 0 HA PHE A 62 -17.311 -34.924 -13.346 1.00 33.21 H new ATOM 0 HB2 PHE A 62 -18.084 -37.845 -13.711 1.00 4.01 H new ATOM 0 HB3 PHE A 62 -18.611 -36.555 -14.774 1.00 4.01 H new ATOM 0 HD1 PHE A 62 -16.615 -35.031 -15.703 1.00 25.30 H new ATOM 0 HD2 PHE A 62 -16.185 -39.033 -14.307 1.00 0.13 H new ATOM 0 HE1 PHE A 62 -14.548 -35.264 -17.012 1.00 71.51 H new ATOM 0 HE2 PHE A 62 -14.118 -39.268 -15.612 1.00 42.24 H new ATOM 0 HZ PHE A 62 -13.298 -37.387 -16.975 1.00 14.25 H new ATOM 1014 N ASP A 63 -19.331 -36.341 -11.242 1.00 2.14 N ATOM 1015 CA ASP A 63 -20.606 -36.208 -10.546 1.00 42.24 C ATOM 1016 C ASP A 63 -20.448 -35.378 -9.276 1.00 51.32 C ATOM 1017 O ASP A 63 -20.853 -34.216 -9.228 1.00 23.23 O ATOM 1018 CB ASP A 63 -21.170 -37.587 -10.202 1.00 61.23 C ATOM 1019 CG ASP A 63 -21.802 -38.269 -11.400 1.00 21.44 C ATOM 1020 OD1 ASP A 63 -22.002 -37.593 -12.431 1.00 20.52 O ATOM 1021 OD2 ASP A 63 -22.096 -39.479 -11.306 1.00 24.31 O ATOM 0 H ASP A 63 -18.689 -37.012 -10.820 1.00 2.14 H new ATOM 0 HA ASP A 63 -21.302 -35.695 -11.210 1.00 42.24 H new ATOM 0 HB2 ASP A 63 -20.371 -38.216 -9.809 1.00 61.23 H new ATOM 0 HB3 ASP A 63 -21.913 -37.485 -9.411 1.00 61.23 H new ATOM 1026 N SER A 64 -19.859 -35.982 -8.250 1.00 25.23 N ATOM 1027 CA SER A 64 -19.652 -35.301 -6.977 1.00 42.43 C ATOM 1028 C SER A 64 -18.499 -35.933 -6.203 1.00 41.24 C ATOM 1029 O SER A 64 -17.933 -36.941 -6.625 1.00 63.33 O ATOM 1030 CB SER A 64 -20.930 -35.345 -6.137 1.00 43.13 C ATOM 1031 OG SER A 64 -21.545 -36.619 -6.212 1.00 73.22 O ATOM 0 H SER A 64 -19.516 -36.942 -8.275 1.00 25.23 H new ATOM 0 HA SER A 64 -19.399 -34.262 -7.187 1.00 42.43 H new ATOM 0 HB2 SER A 64 -20.695 -35.112 -5.099 1.00 43.13 H new ATOM 0 HB3 SER A 64 -21.625 -34.581 -6.486 1.00 43.13 H new ATOM 0 HG SER A 64 -22.359 -36.622 -5.666 1.00 73.22 H new ATOM 1037 N ASP A 65 -18.157 -35.332 -5.069 1.00 21.42 N ATOM 1038 CA ASP A 65 -17.072 -35.836 -4.234 1.00 54.10 C ATOM 1039 C ASP A 65 -17.486 -35.867 -2.766 1.00 51.10 C ATOM 1040 O ASP A 65 -16.791 -35.332 -1.902 1.00 24.02 O ATOM 1041 CB ASP A 65 -15.823 -34.970 -4.407 1.00 33.24 C ATOM 1042 CG ASP A 65 -15.238 -35.070 -5.801 1.00 61.05 C ATOM 1043 OD1 ASP A 65 -15.945 -34.716 -6.768 1.00 2.01 O ATOM 1044 OD2 ASP A 65 -14.073 -35.503 -5.927 1.00 31.11 O ATOM 0 H ASP A 65 -18.615 -34.496 -4.707 1.00 21.42 H new ATOM 0 HA ASP A 65 -16.845 -36.854 -4.550 1.00 54.10 H new ATOM 0 HB2 ASP A 65 -16.073 -33.930 -4.195 1.00 33.24 H new ATOM 0 HB3 ASP A 65 -15.071 -35.272 -3.678 1.00 33.24 H new ATOM 1049 N THR A 66 -18.624 -36.496 -2.490 1.00 73.12 N ATOM 1050 CA THR A 66 -19.132 -36.595 -1.128 1.00 32.12 C ATOM 1051 C THR A 66 -18.960 -35.278 -0.380 1.00 24.23 C ATOM 1052 O THR A 66 -18.705 -35.266 0.824 1.00 60.12 O ATOM 1053 CB THR A 66 -18.422 -37.715 -0.344 1.00 14.25 C ATOM 1054 OG1 THR A 66 -19.040 -37.883 0.937 1.00 20.13 O ATOM 1055 CG2 THR A 66 -16.946 -37.396 -0.162 1.00 61.33 C ATOM 0 H THR A 66 -19.212 -36.945 -3.193 1.00 73.12 H new ATOM 0 HA THR A 66 -20.194 -36.831 -1.203 1.00 32.12 H new ATOM 0 HB THR A 66 -18.510 -38.640 -0.914 1.00 14.25 H new ATOM 0 HG1 THR A 66 -19.146 -37.008 1.367 1.00 20.13 H new ATOM 0 HG21 THR A 66 -16.466 -38.201 0.394 1.00 61.33 H new ATOM 0 HG22 THR A 66 -16.472 -37.297 -1.139 1.00 61.33 H new ATOM 0 HG23 THR A 66 -16.841 -36.461 0.389 1.00 61.33 H new ATOM 1063 N ASN A 67 -19.101 -34.170 -1.101 1.00 25.54 N ATOM 1064 CA ASN A 67 -18.960 -32.847 -0.504 1.00 31.22 C ATOM 1065 C ASN A 67 -17.746 -32.792 0.418 1.00 21.33 C ATOM 1066 O ASN A 67 -17.797 -32.199 1.496 1.00 52.23 O ATOM 1067 CB ASN A 67 -20.224 -32.480 0.276 1.00 0.13 C ATOM 1068 CG ASN A 67 -21.481 -32.616 -0.562 1.00 4.42 C ATOM 1069 OD1 ASN A 67 -22.032 -33.707 -0.701 1.00 72.32 O ATOM 1070 ND2 ASN A 67 -21.939 -31.504 -1.125 1.00 2.30 N ATOM 0 H ASN A 67 -19.313 -34.162 -2.099 1.00 25.54 H new ATOM 0 HA ASN A 67 -18.815 -32.126 -1.309 1.00 31.22 H new ATOM 0 HB2 ASN A 67 -20.305 -33.121 1.154 1.00 0.13 H new ATOM 0 HB3 ASN A 67 -20.140 -31.455 0.637 1.00 0.13 H new ATOM 0 HD21 ASN A 67 -22.781 -31.533 -1.700 1.00 2.30 H new ATOM 0 HD22 ASN A 67 -21.449 -30.621 -0.982 1.00 2.30 H new ATOM 1077 N VAL A 68 -16.654 -33.415 -0.013 1.00 24.33 N ATOM 1078 CA VAL A 68 -15.425 -33.436 0.773 1.00 73.34 C ATOM 1079 C VAL A 68 -14.909 -32.024 1.023 1.00 1.01 C ATOM 1080 O VAL A 68 -14.189 -31.778 1.991 1.00 22.23 O ATOM 1081 CB VAL A 68 -14.326 -34.257 0.073 1.00 45.44 C ATOM 1082 CG1 VAL A 68 -13.944 -33.616 -1.253 1.00 63.22 C ATOM 1083 CG2 VAL A 68 -13.110 -34.397 0.976 1.00 63.10 C ATOM 0 H VAL A 68 -16.595 -33.912 -0.902 1.00 24.33 H new ATOM 0 HA VAL A 68 -15.666 -33.905 1.727 1.00 73.34 H new ATOM 0 HB VAL A 68 -14.716 -35.254 -0.131 1.00 45.44 H new ATOM 0 HG11 VAL A 68 -13.166 -34.210 -1.733 1.00 63.22 H new ATOM 0 HG12 VAL A 68 -14.819 -33.572 -1.901 1.00 63.22 H new ATOM 0 HG13 VAL A 68 -13.572 -32.607 -1.076 1.00 63.22 H new ATOM 0 HG21 VAL A 68 -12.343 -34.980 0.466 1.00 63.10 H new ATOM 0 HG22 VAL A 68 -12.717 -33.408 1.213 1.00 63.10 H new ATOM 0 HG23 VAL A 68 -13.397 -34.903 1.897 1.00 63.10 H new ATOM 1093 N ILE A 69 -15.282 -31.099 0.145 1.00 62.21 N ATOM 1094 CA ILE A 69 -14.857 -29.711 0.272 1.00 54.41 C ATOM 1095 C ILE A 69 -15.527 -29.038 1.466 1.00 60.23 C ATOM 1096 O ILE A 69 -14.858 -28.448 2.314 1.00 13.31 O ATOM 1097 CB ILE A 69 -15.176 -28.906 -1.002 1.00 14.32 C ATOM 1098 CG1 ILE A 69 -14.426 -29.489 -2.201 1.00 52.21 C ATOM 1099 CG2 ILE A 69 -14.816 -27.440 -0.806 1.00 74.44 C ATOM 1100 CD1 ILE A 69 -12.924 -29.498 -2.027 1.00 64.34 C ATOM 0 H ILE A 69 -15.878 -31.286 -0.662 1.00 62.21 H new ATOM 0 HA ILE A 69 -13.778 -29.724 0.423 1.00 54.41 H new ATOM 0 HB ILE A 69 -16.246 -28.974 -1.199 1.00 14.32 H new ATOM 0 HG12 ILE A 69 -14.770 -30.509 -2.374 1.00 52.21 H new ATOM 0 HG13 ILE A 69 -14.677 -28.913 -3.092 1.00 52.21 H new ATOM 0 HG21 ILE A 69 -15.047 -26.884 -1.715 1.00 74.44 H new ATOM 0 HG22 ILE A 69 -15.391 -27.032 0.025 1.00 74.44 H new ATOM 0 HG23 ILE A 69 -13.752 -27.353 -0.588 1.00 74.44 H new ATOM 0 HD11 ILE A 69 -12.457 -29.925 -2.915 1.00 64.34 H new ATOM 0 HD12 ILE A 69 -12.568 -28.478 -1.885 1.00 64.34 H new ATOM 0 HD13 ILE A 69 -12.662 -30.098 -1.156 1.00 64.34 H new ATOM 1112 N ASP A 70 -16.851 -29.133 1.525 1.00 24.55 N ATOM 1113 CA ASP A 70 -17.612 -28.537 2.617 1.00 5.02 C ATOM 1114 C ASP A 70 -17.372 -29.291 3.922 1.00 53.33 C ATOM 1115 O ASP A 70 -17.484 -28.723 5.008 1.00 33.24 O ATOM 1116 CB ASP A 70 -19.104 -28.531 2.283 1.00 31.34 C ATOM 1117 CG ASP A 70 -19.965 -28.200 3.486 1.00 12.13 C ATOM 1118 OD1 ASP A 70 -19.589 -27.288 4.253 1.00 63.41 O ATOM 1119 OD2 ASP A 70 -21.016 -28.851 3.661 1.00 70.32 O ATOM 0 H ASP A 70 -17.419 -29.617 0.830 1.00 24.55 H new ATOM 0 HA ASP A 70 -17.273 -27.509 2.745 1.00 5.02 H new ATOM 0 HB2 ASP A 70 -19.294 -27.804 1.493 1.00 31.34 H new ATOM 0 HB3 ASP A 70 -19.390 -29.508 1.893 1.00 31.34 H new ATOM 1124 N VAL A 71 -17.043 -30.573 3.806 1.00 30.43 N ATOM 1125 CA VAL A 71 -16.788 -31.405 4.976 1.00 21.41 C ATOM 1126 C VAL A 71 -15.384 -31.170 5.522 1.00 30.40 C ATOM 1127 O VAL A 71 -15.176 -31.140 6.734 1.00 4.25 O ATOM 1128 CB VAL A 71 -16.956 -32.901 4.649 1.00 62.15 C ATOM 1129 CG1 VAL A 71 -16.623 -33.754 5.863 1.00 60.51 C ATOM 1130 CG2 VAL A 71 -18.368 -33.184 4.159 1.00 51.51 C ATOM 0 H VAL A 71 -16.947 -31.058 2.914 1.00 30.43 H new ATOM 0 HA VAL A 71 -17.521 -31.122 5.731 1.00 21.41 H new ATOM 0 HB VAL A 71 -16.260 -33.161 3.851 1.00 62.15 H new ATOM 0 HG11 VAL A 71 -16.747 -34.808 5.613 1.00 60.51 H new ATOM 0 HG12 VAL A 71 -15.591 -33.572 6.164 1.00 60.51 H new ATOM 0 HG13 VAL A 71 -17.291 -33.495 6.684 1.00 60.51 H new ATOM 0 HG21 VAL A 71 -18.469 -34.245 3.933 1.00 51.51 H new ATOM 0 HG22 VAL A 71 -19.084 -32.909 4.933 1.00 51.51 H new ATOM 0 HG23 VAL A 71 -18.565 -32.601 3.259 1.00 51.51 H new ATOM 1140 N ALA A 72 -14.424 -31.004 4.618 1.00 22.43 N ATOM 1141 CA ALA A 72 -13.039 -30.769 5.009 1.00 34.41 C ATOM 1142 C ALA A 72 -12.882 -29.411 5.684 1.00 54.11 C ATOM 1143 O ALA A 72 -12.110 -29.262 6.631 1.00 61.32 O ATOM 1144 CB ALA A 72 -12.125 -30.868 3.797 1.00 1.40 C ATOM 0 H ALA A 72 -14.580 -31.028 3.610 1.00 22.43 H new ATOM 0 HA ALA A 72 -12.755 -31.537 5.728 1.00 34.41 H new ATOM 0 HB1 ALA A 72 -11.094 -30.690 4.103 1.00 1.40 H new ATOM 0 HB2 ALA A 72 -12.207 -31.863 3.360 1.00 1.40 H new ATOM 0 HB3 ALA A 72 -12.418 -30.122 3.059 1.00 1.40 H new ATOM 1150 N VAL A 73 -13.620 -28.421 5.190 1.00 22.20 N ATOM 1151 CA VAL A 73 -13.563 -27.075 5.746 1.00 44.53 C ATOM 1152 C VAL A 73 -14.364 -26.979 7.039 1.00 32.20 C ATOM 1153 O VAL A 73 -13.974 -26.278 7.973 1.00 55.45 O ATOM 1154 CB VAL A 73 -14.096 -26.032 4.746 1.00 53.42 C ATOM 1155 CG1 VAL A 73 -15.545 -26.327 4.388 1.00 63.44 C ATOM 1156 CG2 VAL A 73 -13.955 -24.628 5.315 1.00 52.25 C ATOM 0 H VAL A 73 -14.264 -28.527 4.406 1.00 22.20 H new ATOM 0 HA VAL A 73 -12.514 -26.864 5.956 1.00 44.53 H new ATOM 0 HB VAL A 73 -13.502 -26.092 3.834 1.00 53.42 H new ATOM 0 HG11 VAL A 73 -15.904 -25.580 3.681 1.00 63.44 H new ATOM 0 HG12 VAL A 73 -15.614 -27.317 3.937 1.00 63.44 H new ATOM 0 HG13 VAL A 73 -16.156 -26.296 5.290 1.00 63.44 H new ATOM 0 HG21 VAL A 73 -14.336 -23.904 4.595 1.00 52.25 H new ATOM 0 HG22 VAL A 73 -14.523 -24.552 6.242 1.00 52.25 H new ATOM 0 HG23 VAL A 73 -12.904 -24.421 5.516 1.00 52.25 H new ATOM 1166 N ARG A 74 -15.486 -27.690 7.087 1.00 11.01 N ATOM 1167 CA ARG A 74 -16.344 -27.685 8.266 1.00 23.21 C ATOM 1168 C ARG A 74 -15.734 -28.524 9.385 1.00 30.33 C ATOM 1169 O ARG A 74 -15.905 -28.220 10.566 1.00 61.31 O ATOM 1170 CB ARG A 74 -17.734 -28.218 7.914 1.00 2.00 C ATOM 1171 CG ARG A 74 -18.612 -27.204 7.199 1.00 2.23 C ATOM 1172 CD ARG A 74 -19.306 -26.276 8.184 1.00 0.10 C ATOM 1173 NE ARG A 74 -20.529 -25.703 7.627 1.00 5.14 N ATOM 1174 CZ ARG A 74 -21.638 -26.402 7.417 1.00 53.11 C ATOM 1175 NH1 ARG A 74 -21.679 -27.693 7.716 1.00 71.04 N ATOM 1176 NH2 ARG A 74 -22.710 -25.809 6.907 1.00 34.31 N ATOM 0 H ARG A 74 -15.822 -28.277 6.323 1.00 11.01 H new ATOM 0 HA ARG A 74 -16.435 -26.656 8.614 1.00 23.21 H new ATOM 0 HB2 ARG A 74 -17.626 -29.101 7.284 1.00 2.00 H new ATOM 0 HB3 ARG A 74 -18.234 -28.538 8.828 1.00 2.00 H new ATOM 0 HG2 ARG A 74 -18.005 -26.617 6.510 1.00 2.23 H new ATOM 0 HG3 ARG A 74 -19.359 -27.726 6.600 1.00 2.23 H new ATOM 0 HD2 ARG A 74 -19.545 -26.826 9.094 1.00 0.10 H new ATOM 0 HD3 ARG A 74 -18.625 -25.473 8.467 1.00 0.10 H new ATOM 0 HE ARG A 74 -20.531 -24.712 7.386 1.00 5.14 H new ATOM 0 HH11 ARG A 74 -20.857 -28.152 8.109 1.00 71.04 H new ATOM 0 HH12 ARG A 74 -22.533 -28.227 7.553 1.00 71.04 H new ATOM 0 HH21 ARG A 74 -22.682 -24.816 6.676 1.00 34.31 H new ATOM 0 HH22 ARG A 74 -23.562 -26.346 6.746 1.00 34.31 H new ATOM 1190 N ARG A 75 -15.023 -29.581 9.005 1.00 32.05 N ATOM 1191 CA ARG A 75 -14.390 -30.465 9.977 1.00 42.13 C ATOM 1192 C ARG A 75 -13.127 -29.827 10.549 1.00 33.55 C ATOM 1193 O ARG A 75 -12.847 -29.943 11.743 1.00 32.34 O ATOM 1194 CB ARG A 75 -14.047 -31.808 9.329 1.00 52.43 C ATOM 1195 CG ARG A 75 -12.856 -31.743 8.387 1.00 61.10 C ATOM 1196 CD ARG A 75 -12.567 -33.098 7.761 1.00 65.40 C ATOM 1197 NE ARG A 75 -12.038 -34.050 8.735 1.00 14.31 N ATOM 1198 CZ ARG A 75 -11.762 -35.317 8.449 1.00 5.02 C ATOM 1199 NH1 ARG A 75 -11.961 -35.782 7.224 1.00 72.51 N ATOM 1200 NH2 ARG A 75 -11.283 -36.121 9.390 1.00 73.41 N ATOM 0 H ARG A 75 -14.871 -29.846 8.032 1.00 32.05 H new ATOM 0 HA ARG A 75 -15.094 -30.632 10.792 1.00 42.13 H new ATOM 0 HB2 ARG A 75 -13.841 -32.538 10.112 1.00 52.43 H new ATOM 0 HB3 ARG A 75 -14.916 -32.169 8.778 1.00 52.43 H new ATOM 0 HG2 ARG A 75 -13.051 -31.012 7.602 1.00 61.10 H new ATOM 0 HG3 ARG A 75 -11.978 -31.398 8.932 1.00 61.10 H new ATOM 0 HD2 ARG A 75 -13.482 -33.498 7.324 1.00 65.40 H new ATOM 0 HD3 ARG A 75 -11.852 -32.976 6.948 1.00 65.40 H new ATOM 0 HE ARG A 75 -11.872 -33.723 9.687 1.00 14.31 H new ATOM 0 HH11 ARG A 75 -12.327 -35.166 6.498 1.00 72.51 H new ATOM 0 HH12 ARG A 75 -11.748 -36.756 7.007 1.00 72.51 H new ATOM 0 HH21 ARG A 75 -11.127 -35.766 10.333 1.00 73.41 H new ATOM 0 HH22 ARG A 75 -11.071 -37.094 9.170 1.00 73.41 H new ATOM 1214 N LEU A 76 -12.369 -29.155 9.691 1.00 64.10 N ATOM 1215 CA LEU A 76 -11.135 -28.499 10.111 1.00 70.31 C ATOM 1216 C LEU A 76 -11.435 -27.233 10.907 1.00 31.30 C ATOM 1217 O LEU A 76 -10.765 -26.937 11.896 1.00 44.40 O ATOM 1218 CB LEU A 76 -10.276 -28.157 8.892 1.00 23.55 C ATOM 1219 CG LEU A 76 -10.590 -26.830 8.201 1.00 65.43 C ATOM 1220 CD1 LEU A 76 -9.928 -25.675 8.936 1.00 23.52 C ATOM 1221 CD2 LEU A 76 -10.140 -26.867 6.747 1.00 31.23 C ATOM 0 H LEU A 76 -12.586 -29.050 8.700 1.00 64.10 H new ATOM 0 HA LEU A 76 -10.586 -29.188 10.753 1.00 70.31 H new ATOM 0 HB2 LEU A 76 -9.231 -28.144 9.201 1.00 23.55 H new ATOM 0 HB3 LEU A 76 -10.383 -28.958 8.161 1.00 23.55 H new ATOM 0 HG LEU A 76 -11.669 -26.677 8.224 1.00 65.43 H new ATOM 0 HD11 LEU A 76 -10.163 -24.739 8.429 1.00 23.52 H new ATOM 0 HD12 LEU A 76 -10.298 -25.636 9.961 1.00 23.52 H new ATOM 0 HD13 LEU A 76 -8.848 -25.821 8.946 1.00 23.52 H new ATOM 0 HD21 LEU A 76 -10.371 -25.914 6.270 1.00 31.23 H new ATOM 0 HD22 LEU A 76 -9.065 -27.043 6.703 1.00 31.23 H new ATOM 0 HD23 LEU A 76 -10.661 -27.670 6.225 1.00 31.23 H new ATOM 1233 N ARG A 77 -12.448 -26.492 10.470 1.00 30.03 N ATOM 1234 CA ARG A 77 -12.838 -25.259 11.143 1.00 43.42 C ATOM 1235 C ARG A 77 -13.456 -25.555 12.506 1.00 4.42 C ATOM 1236 O ARG A 77 -13.285 -24.789 13.455 1.00 32.54 O ATOM 1237 CB ARG A 77 -13.829 -24.474 10.281 1.00 30.12 C ATOM 1238 CG ARG A 77 -15.230 -25.064 10.274 1.00 22.13 C ATOM 1239 CD ARG A 77 -16.109 -24.424 11.337 1.00 21.45 C ATOM 1240 NE ARG A 77 -17.155 -25.332 11.801 1.00 11.32 N ATOM 1241 CZ ARG A 77 -17.996 -25.041 12.788 1.00 25.20 C ATOM 1242 NH1 ARG A 77 -17.913 -23.874 13.411 1.00 13.23 N ATOM 1243 NH2 ARG A 77 -18.921 -25.919 13.153 1.00 72.11 N ATOM 0 H ARG A 77 -13.013 -26.724 9.653 1.00 30.03 H new ATOM 0 HA ARG A 77 -11.941 -24.658 11.293 1.00 43.42 H new ATOM 0 HB2 ARG A 77 -13.878 -23.447 10.643 1.00 30.12 H new ATOM 0 HB3 ARG A 77 -13.455 -24.434 9.258 1.00 30.12 H new ATOM 0 HG2 ARG A 77 -15.681 -24.921 9.292 1.00 22.13 H new ATOM 0 HG3 ARG A 77 -15.174 -26.139 10.445 1.00 22.13 H new ATOM 0 HD2 ARG A 77 -15.492 -24.119 12.182 1.00 21.45 H new ATOM 0 HD3 ARG A 77 -16.566 -23.520 10.934 1.00 21.45 H new ATOM 0 HE ARG A 77 -17.245 -26.239 11.343 1.00 11.32 H new ATOM 0 HH11 ARG A 77 -17.203 -23.197 13.133 1.00 13.23 H new ATOM 0 HH12 ARG A 77 -18.560 -23.653 14.168 1.00 13.23 H new ATOM 0 HH21 ARG A 77 -18.987 -26.818 12.676 1.00 72.11 H new ATOM 0 HH22 ARG A 77 -19.566 -25.695 13.911 1.00 72.11 H new ATOM 1257 N SER A 78 -14.174 -26.669 12.595 1.00 21.43 N ATOM 1258 CA SER A 78 -14.821 -27.064 13.841 1.00 61.40 C ATOM 1259 C SER A 78 -13.835 -27.773 14.764 1.00 23.52 C ATOM 1260 O SER A 78 -14.201 -28.241 15.843 1.00 52.42 O ATOM 1261 CB SER A 78 -16.014 -27.977 13.553 1.00 34.33 C ATOM 1262 OG SER A 78 -16.573 -28.480 14.755 1.00 53.24 O ATOM 0 H SER A 78 -14.323 -27.315 11.819 1.00 21.43 H new ATOM 0 HA SER A 78 -15.175 -26.162 14.340 1.00 61.40 H new ATOM 0 HB2 SER A 78 -16.773 -27.425 12.998 1.00 34.33 H new ATOM 0 HB3 SER A 78 -15.697 -28.806 12.921 1.00 34.33 H new ATOM 0 HG SER A 78 -15.872 -28.555 15.436 1.00 53.24 H new ATOM 1268 N LYS A 79 -12.580 -27.850 14.333 1.00 74.13 N ATOM 1269 CA LYS A 79 -11.539 -28.500 15.119 1.00 63.52 C ATOM 1270 C LYS A 79 -10.839 -27.498 16.031 1.00 54.30 C ATOM 1271 O LYS A 79 -10.615 -27.770 17.211 1.00 44.43 O ATOM 1272 CB LYS A 79 -10.515 -29.166 14.196 1.00 75.31 C ATOM 1273 CG LYS A 79 -10.565 -30.684 14.228 1.00 25.11 C ATOM 1274 CD LYS A 79 -9.783 -31.292 13.075 1.00 13.21 C ATOM 1275 CE LYS A 79 -9.889 -32.809 13.069 1.00 64.10 C ATOM 1276 NZ LYS A 79 -8.931 -33.435 14.022 1.00 62.51 N ATOM 0 H LYS A 79 -12.260 -27.470 13.442 1.00 74.13 H new ATOM 0 HA LYS A 79 -12.011 -29.262 15.740 1.00 63.52 H new ATOM 0 HB2 LYS A 79 -10.684 -28.827 13.174 1.00 75.31 H new ATOM 0 HB3 LYS A 79 -9.515 -28.838 14.479 1.00 75.31 H new ATOM 0 HG2 LYS A 79 -10.158 -31.043 15.174 1.00 25.11 H new ATOM 0 HG3 LYS A 79 -11.602 -31.016 14.181 1.00 25.11 H new ATOM 0 HD2 LYS A 79 -10.158 -30.896 12.131 1.00 13.21 H new ATOM 0 HD3 LYS A 79 -8.736 -31.000 13.150 1.00 13.21 H new ATOM 0 HE2 LYS A 79 -10.906 -33.103 13.330 1.00 64.10 H new ATOM 0 HE3 LYS A 79 -9.697 -33.183 12.063 1.00 64.10 H new ATOM 0 HZ1 LYS A 79 -9.034 -34.469 13.989 1.00 62.51 H new ATOM 0 HZ2 LYS A 79 -7.959 -33.175 13.758 1.00 62.51 H new ATOM 0 HZ3 LYS A 79 -9.130 -33.098 14.986 1.00 62.51 H new ATOM 1290 N ILE A 80 -10.500 -26.338 15.478 1.00 64.43 N ATOM 1291 CA ILE A 80 -9.829 -25.295 16.243 1.00 44.11 C ATOM 1292 C ILE A 80 -10.551 -23.959 16.102 1.00 20.44 C ATOM 1293 O ILE A 80 -10.745 -23.241 17.083 1.00 51.30 O ATOM 1294 CB ILE A 80 -8.364 -25.123 15.797 1.00 34.23 C ATOM 1295 CG1 ILE A 80 -7.715 -23.956 16.543 1.00 1.14 C ATOM 1296 CG2 ILE A 80 -8.291 -24.904 14.293 1.00 23.45 C ATOM 1297 CD1 ILE A 80 -7.736 -24.114 18.048 1.00 41.34 C ATOM 0 H ILE A 80 -10.679 -26.097 14.503 1.00 64.43 H new ATOM 0 HA ILE A 80 -9.848 -25.608 17.287 1.00 44.11 H new ATOM 0 HB ILE A 80 -7.816 -26.034 16.039 1.00 34.23 H new ATOM 0 HG12 ILE A 80 -6.682 -23.853 16.211 1.00 1.14 H new ATOM 0 HG13 ILE A 80 -8.230 -23.033 16.275 1.00 1.14 H new ATOM 0 HG21 ILE A 80 -7.250 -24.784 13.993 1.00 23.45 H new ATOM 0 HG22 ILE A 80 -8.720 -25.764 13.779 1.00 23.45 H new ATOM 0 HG23 ILE A 80 -8.850 -24.007 14.028 1.00 23.45 H new ATOM 0 HD11 ILE A 80 -7.259 -23.250 18.511 1.00 41.34 H new ATOM 0 HD12 ILE A 80 -8.768 -24.187 18.392 1.00 41.34 H new ATOM 0 HD13 ILE A 80 -7.196 -25.019 18.326 1.00 41.34 H new ATOM 1309 N ASP A 81 -10.948 -23.634 14.877 1.00 33.22 N ATOM 1310 CA ASP A 81 -11.653 -22.386 14.608 1.00 44.11 C ATOM 1311 C ASP A 81 -12.949 -22.310 15.408 1.00 11.12 C ATOM 1312 O ASP A 81 -13.497 -21.228 15.620 1.00 40.11 O ATOM 1313 CB ASP A 81 -11.953 -22.257 13.114 1.00 63.03 C ATOM 1314 CG ASP A 81 -11.052 -21.250 12.427 1.00 3.50 C ATOM 1315 OD1 ASP A 81 -10.685 -20.246 13.072 1.00 4.35 O ATOM 1316 OD2 ASP A 81 -10.714 -21.464 11.244 1.00 72.42 O ATOM 0 H ASP A 81 -10.794 -24.217 14.054 1.00 33.22 H new ATOM 0 HA ASP A 81 -11.010 -21.561 14.914 1.00 44.11 H new ATOM 0 HB2 ASP A 81 -11.835 -23.230 12.637 1.00 63.03 H new ATOM 0 HB3 ASP A 81 -12.993 -21.960 12.980 1.00 63.03 H new ATOM 1321 N ASP A 82 -13.435 -23.465 15.849 1.00 25.12 N ATOM 1322 CA ASP A 82 -14.667 -23.530 16.626 1.00 1.22 C ATOM 1323 C ASP A 82 -14.523 -22.764 17.938 1.00 53.34 C ATOM 1324 O ASP A 82 -15.516 -22.368 18.549 1.00 71.31 O ATOM 1325 CB ASP A 82 -15.040 -24.986 16.910 1.00 52.30 C ATOM 1326 CG ASP A 82 -16.538 -25.219 16.865 1.00 45.23 C ATOM 1327 OD1 ASP A 82 -17.294 -24.229 16.950 1.00 34.41 O ATOM 1328 OD2 ASP A 82 -16.953 -26.391 16.745 1.00 44.32 O ATOM 0 H ASP A 82 -12.994 -24.369 15.681 1.00 25.12 H new ATOM 0 HA ASP A 82 -15.461 -23.067 16.041 1.00 1.22 H new ATOM 0 HB2 ASP A 82 -14.553 -25.632 16.180 1.00 52.30 H new ATOM 0 HB3 ASP A 82 -14.660 -25.271 17.891 1.00 52.30 H new ATOM 1333 N ASP A 83 -13.282 -22.559 18.364 1.00 11.21 N ATOM 1334 CA ASP A 83 -13.008 -21.840 19.603 1.00 32.11 C ATOM 1335 C ASP A 83 -11.849 -20.866 19.421 1.00 4.32 C ATOM 1336 O ASP A 83 -11.194 -20.476 20.388 1.00 21.03 O ATOM 1337 CB ASP A 83 -12.691 -22.825 20.730 1.00 51.14 C ATOM 1338 CG ASP A 83 -13.735 -22.803 21.828 1.00 35.53 C ATOM 1339 OD1 ASP A 83 -14.900 -23.157 21.547 1.00 45.42 O ATOM 1340 OD2 ASP A 83 -13.389 -22.433 22.970 1.00 50.34 O ATOM 0 H ASP A 83 -12.450 -22.880 17.870 1.00 11.21 H new ATOM 0 HA ASP A 83 -13.899 -21.271 19.868 1.00 32.11 H new ATOM 0 HB2 ASP A 83 -12.621 -23.832 20.319 1.00 51.14 H new ATOM 0 HB3 ASP A 83 -11.716 -22.585 21.155 1.00 51.14 H new ATOM 1345 N PHE A 84 -11.599 -20.477 18.175 1.00 14.42 N ATOM 1346 CA PHE A 84 -10.517 -19.549 17.866 1.00 73.32 C ATOM 1347 C PHE A 84 -11.045 -18.328 17.118 1.00 64.21 C ATOM 1348 O PHE A 84 -10.564 -17.213 17.314 1.00 10.43 O ATOM 1349 CB PHE A 84 -9.442 -20.248 17.031 1.00 2.51 C ATOM 1350 CG PHE A 84 -8.194 -20.565 17.805 1.00 52.40 C ATOM 1351 CD1 PHE A 84 -8.271 -21.114 19.074 1.00 34.15 C ATOM 1352 CD2 PHE A 84 -6.944 -20.312 17.263 1.00 71.50 C ATOM 1353 CE1 PHE A 84 -7.125 -21.407 19.789 1.00 32.42 C ATOM 1354 CE2 PHE A 84 -5.795 -20.604 17.973 1.00 64.13 C ATOM 1355 CZ PHE A 84 -5.885 -21.151 19.238 1.00 72.02 C ATOM 0 H PHE A 84 -12.131 -20.790 17.363 1.00 14.42 H new ATOM 0 HA PHE A 84 -10.078 -19.215 18.806 1.00 73.32 H new ATOM 0 HB2 PHE A 84 -9.853 -21.172 16.625 1.00 2.51 H new ATOM 0 HB3 PHE A 84 -9.183 -19.614 16.183 1.00 2.51 H new ATOM 0 HD1 PHE A 84 -9.238 -21.316 19.510 1.00 34.15 H new ATOM 0 HD2 PHE A 84 -6.867 -19.882 16.275 1.00 71.50 H new ATOM 0 HE1 PHE A 84 -7.199 -21.836 20.777 1.00 32.42 H new ATOM 0 HE2 PHE A 84 -4.827 -20.404 17.539 1.00 64.13 H new ATOM 0 HZ PHE A 84 -4.988 -21.378 19.795 1.00 72.02 H new ATOM 1365 N GLU A 85 -12.035 -18.550 16.260 1.00 53.44 N ATOM 1366 CA GLU A 85 -12.627 -17.468 15.481 1.00 2.31 C ATOM 1367 C GLU A 85 -14.099 -17.747 15.192 1.00 63.43 C ATOM 1368 O GLU A 85 -14.566 -18.884 15.263 1.00 74.13 O ATOM 1369 CB GLU A 85 -11.864 -17.279 14.168 1.00 55.40 C ATOM 1370 CG GLU A 85 -10.654 -16.368 14.292 1.00 34.23 C ATOM 1371 CD GLU A 85 -11.035 -14.926 14.565 1.00 0.02 C ATOM 1372 OE1 GLU A 85 -11.297 -14.593 15.740 1.00 52.03 O ATOM 1373 OE2 GLU A 85 -11.070 -14.130 13.603 1.00 32.22 O ATOM 0 H GLU A 85 -12.444 -19.468 16.086 1.00 53.44 H new ATOM 0 HA GLU A 85 -12.558 -16.552 16.068 1.00 2.31 H new ATOM 0 HB2 GLU A 85 -11.539 -18.253 13.803 1.00 55.40 H new ATOM 0 HB3 GLU A 85 -12.542 -16.869 13.420 1.00 55.40 H new ATOM 0 HG2 GLU A 85 -10.013 -16.729 15.096 1.00 34.23 H new ATOM 0 HG3 GLU A 85 -10.071 -16.418 13.373 1.00 34.23 H new ATOM 1380 N PRO A 86 -14.848 -16.686 14.858 1.00 43.10 N ATOM 1381 CA PRO A 86 -16.277 -16.791 14.551 1.00 13.21 C ATOM 1382 C PRO A 86 -16.536 -17.511 13.232 1.00 22.23 C ATOM 1383 O PRO A 86 -15.626 -18.094 12.642 1.00 21.24 O ATOM 1384 CB PRO A 86 -16.729 -15.331 14.460 1.00 3.15 C ATOM 1385 CG PRO A 86 -15.497 -14.576 14.096 1.00 13.42 C ATOM 1386 CD PRO A 86 -14.356 -15.302 14.754 1.00 55.41 C ATOM 0 HA PRO A 86 -16.813 -17.372 15.302 1.00 13.21 H new ATOM 0 HB2 PRO A 86 -17.508 -15.204 13.708 1.00 3.15 H new ATOM 0 HB3 PRO A 86 -17.141 -14.984 15.408 1.00 3.15 H new ATOM 0 HG2 PRO A 86 -15.366 -14.542 13.014 1.00 13.42 H new ATOM 0 HG3 PRO A 86 -15.555 -13.544 14.443 1.00 13.42 H new ATOM 0 HD2 PRO A 86 -13.445 -15.243 14.158 1.00 55.41 H new ATOM 0 HD3 PRO A 86 -14.124 -14.883 15.733 1.00 55.41 H new ATOM 1394 N LYS A 87 -17.782 -17.467 12.774 1.00 71.03 N ATOM 1395 CA LYS A 87 -18.161 -18.114 11.523 1.00 11.22 C ATOM 1396 C LYS A 87 -17.699 -17.292 10.324 1.00 63.51 C ATOM 1397 O LYS A 87 -18.341 -16.313 9.945 1.00 55.44 O ATOM 1398 CB LYS A 87 -19.678 -18.310 11.466 1.00 63.31 C ATOM 1399 CG LYS A 87 -20.244 -19.031 12.677 1.00 2.13 C ATOM 1400 CD LYS A 87 -19.834 -20.494 12.698 1.00 73.05 C ATOM 1401 CE LYS A 87 -20.804 -21.333 13.516 1.00 3.21 C ATOM 1402 NZ LYS A 87 -22.149 -21.404 12.881 1.00 2.33 N ATOM 0 H LYS A 87 -18.547 -16.990 13.250 1.00 71.03 H new ATOM 0 HA LYS A 87 -17.673 -19.088 11.484 1.00 11.22 H new ATOM 0 HB2 LYS A 87 -20.159 -17.336 11.376 1.00 63.31 H new ATOM 0 HB3 LYS A 87 -19.930 -18.874 10.568 1.00 63.31 H new ATOM 0 HG2 LYS A 87 -19.897 -18.542 13.587 1.00 2.13 H new ATOM 0 HG3 LYS A 87 -21.331 -18.957 12.670 1.00 2.13 H new ATOM 0 HD2 LYS A 87 -19.792 -20.876 11.678 1.00 73.05 H new ATOM 0 HD3 LYS A 87 -18.831 -20.586 13.115 1.00 73.05 H new ATOM 0 HE2 LYS A 87 -20.404 -22.340 13.632 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -20.897 -20.909 14.516 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -22.647 -22.252 13.218 1.00 2.33 H new ATOM 0 HZ2 LYS A 87 -22.697 -20.557 13.134 1.00 2.33 H new ATOM 0 HZ3 LYS A 87 -22.043 -21.452 11.848 1.00 2.33 H new ATOM 1416 N LEU A 88 -16.582 -17.698 9.730 1.00 60.41 N ATOM 1417 CA LEU A 88 -16.034 -17.001 8.572 1.00 52.33 C ATOM 1418 C LEU A 88 -16.248 -17.811 7.297 1.00 43.40 C ATOM 1419 O LEU A 88 -15.626 -17.542 6.268 1.00 34.32 O ATOM 1420 CB LEU A 88 -14.542 -16.730 8.773 1.00 13.45 C ATOM 1421 CG LEU A 88 -14.191 -15.568 9.704 1.00 20.53 C ATOM 1422 CD1 LEU A 88 -14.288 -16.002 11.159 1.00 72.03 C ATOM 1423 CD2 LEU A 88 -12.798 -15.040 9.395 1.00 23.13 C ATOM 0 H LEU A 88 -16.038 -18.507 10.031 1.00 60.41 H new ATOM 0 HA LEU A 88 -16.559 -16.051 8.470 1.00 52.33 H new ATOM 0 HB2 LEU A 88 -14.078 -17.636 9.164 1.00 13.45 H new ATOM 0 HB3 LEU A 88 -14.094 -16.537 7.798 1.00 13.45 H new ATOM 0 HG LEU A 88 -14.908 -14.764 9.537 1.00 20.53 H new ATOM 0 HD11 LEU A 88 -14.035 -15.163 11.807 1.00 72.03 H new ATOM 0 HD12 LEU A 88 -15.304 -16.332 11.373 1.00 72.03 H new ATOM 0 HD13 LEU A 88 -13.594 -16.823 11.341 1.00 72.03 H new ATOM 0 HD21 LEU A 88 -12.565 -14.214 10.067 1.00 23.13 H new ATOM 0 HD22 LEU A 88 -12.068 -15.837 9.533 1.00 23.13 H new ATOM 0 HD23 LEU A 88 -12.762 -14.690 8.363 1.00 23.13 H new ATOM 1435 N ILE A 89 -17.131 -18.800 7.372 1.00 31.30 N ATOM 1436 CA ILE A 89 -17.429 -19.647 6.223 1.00 2.42 C ATOM 1437 C ILE A 89 -18.791 -19.306 5.628 1.00 21.41 C ATOM 1438 O ILE A 89 -19.788 -19.213 6.345 1.00 42.40 O ATOM 1439 CB ILE A 89 -17.405 -21.139 6.602 1.00 20.13 C ATOM 1440 CG1 ILE A 89 -16.004 -21.548 7.063 1.00 75.50 C ATOM 1441 CG2 ILE A 89 -17.851 -21.992 5.424 1.00 33.02 C ATOM 1442 CD1 ILE A 89 -15.940 -22.950 7.627 1.00 23.43 C ATOM 0 H ILE A 89 -17.653 -19.035 8.216 1.00 31.30 H new ATOM 0 HA ILE A 89 -16.653 -19.457 5.481 1.00 2.42 H new ATOM 0 HB ILE A 89 -18.100 -21.301 7.426 1.00 20.13 H new ATOM 0 HG12 ILE A 89 -15.316 -21.472 6.221 1.00 75.50 H new ATOM 0 HG13 ILE A 89 -15.659 -20.844 7.820 1.00 75.50 H new ATOM 0 HG21 ILE A 89 -17.829 -23.044 5.708 1.00 33.02 H new ATOM 0 HG22 ILE A 89 -18.866 -21.715 5.138 1.00 33.02 H new ATOM 0 HG23 ILE A 89 -17.179 -21.829 4.582 1.00 33.02 H new ATOM 0 HD11 ILE A 89 -14.918 -23.173 7.934 1.00 23.43 H new ATOM 0 HD12 ILE A 89 -16.602 -23.026 8.489 1.00 23.43 H new ATOM 0 HD13 ILE A 89 -16.254 -23.663 6.865 1.00 23.43 H new ATOM 1454 N HIS A 90 -18.827 -19.124 4.312 1.00 62.32 N ATOM 1455 CA HIS A 90 -20.068 -18.797 3.619 1.00 42.12 C ATOM 1456 C HIS A 90 -20.140 -19.506 2.270 1.00 50.23 C ATOM 1457 O HIS A 90 -19.180 -19.495 1.498 1.00 54.31 O ATOM 1458 CB HIS A 90 -20.182 -17.285 3.421 1.00 74.24 C ATOM 1459 CG HIS A 90 -20.721 -16.563 4.617 1.00 21.33 C ATOM 1460 ND1 HIS A 90 -21.962 -15.962 4.638 1.00 5.12 N ATOM 1461 CD2 HIS A 90 -20.180 -16.350 5.840 1.00 51.54 C ATOM 1462 CE1 HIS A 90 -22.160 -15.408 5.821 1.00 40.11 C ATOM 1463 NE2 HIS A 90 -21.094 -15.629 6.569 1.00 70.22 N ATOM 0 H HIS A 90 -18.011 -19.197 3.704 1.00 62.32 H new ATOM 0 HA HIS A 90 -20.900 -19.139 4.234 1.00 42.12 H new ATOM 0 HB2 HIS A 90 -19.198 -16.884 3.178 1.00 74.24 H new ATOM 0 HB3 HIS A 90 -20.828 -17.087 2.566 1.00 74.24 H new ATOM 0 HD2 HIS A 90 -19.211 -16.685 6.179 1.00 51.54 H new ATOM 0 HE1 HIS A 90 -23.044 -14.866 6.125 1.00 40.11 H new ATOM 0 HE2 HIS A 90 -20.970 -15.315 7.532 1.00 70.22 H new ATOM 1471 N THR A 91 -21.284 -20.123 1.991 1.00 31.03 N ATOM 1472 CA THR A 91 -21.481 -20.839 0.737 1.00 0.40 C ATOM 1473 C THR A 91 -22.735 -20.354 0.019 1.00 71.14 C ATOM 1474 O THR A 91 -23.844 -20.460 0.544 1.00 44.23 O ATOM 1475 CB THR A 91 -21.590 -22.358 0.968 1.00 41.41 C ATOM 1476 OG1 THR A 91 -20.352 -22.865 1.479 1.00 73.53 O ATOM 1477 CG2 THR A 91 -21.944 -23.077 -0.324 1.00 75.45 C ATOM 0 H THR A 91 -22.089 -20.141 2.617 1.00 31.03 H new ATOM 0 HA THR A 91 -20.608 -20.636 0.116 1.00 0.40 H new ATOM 0 HB THR A 91 -22.383 -22.538 1.694 1.00 41.41 H new ATOM 0 HG1 THR A 91 -20.090 -23.661 0.971 1.00 73.53 H new ATOM 0 HG21 THR A 91 -22.016 -24.148 -0.136 1.00 75.45 H new ATOM 0 HG22 THR A 91 -22.901 -22.709 -0.695 1.00 75.45 H new ATOM 0 HG23 THR A 91 -21.170 -22.890 -1.068 1.00 75.45 H new ATOM 1485 N VAL A 92 -22.553 -19.823 -1.186 1.00 54.42 N ATOM 1486 CA VAL A 92 -23.671 -19.323 -1.978 1.00 32.20 C ATOM 1487 C VAL A 92 -24.570 -20.464 -2.441 1.00 31.33 C ATOM 1488 O VAL A 92 -24.094 -21.557 -2.748 1.00 72.33 O ATOM 1489 CB VAL A 92 -23.181 -18.539 -3.210 1.00 24.14 C ATOM 1490 CG1 VAL A 92 -24.345 -17.843 -3.898 1.00 63.01 C ATOM 1491 CG2 VAL A 92 -22.110 -17.535 -2.810 1.00 24.53 C ATOM 0 H VAL A 92 -21.642 -19.728 -1.635 1.00 54.42 H new ATOM 0 HA VAL A 92 -24.240 -18.653 -1.333 1.00 32.20 H new ATOM 0 HB VAL A 92 -22.742 -19.243 -3.916 1.00 24.14 H new ATOM 0 HG11 VAL A 92 -23.979 -17.294 -4.766 1.00 63.01 H new ATOM 0 HG12 VAL A 92 -25.075 -18.586 -4.220 1.00 63.01 H new ATOM 0 HG13 VAL A 92 -24.817 -17.149 -3.202 1.00 63.01 H new ATOM 0 HG21 VAL A 92 -21.775 -16.990 -3.692 1.00 24.53 H new ATOM 0 HG22 VAL A 92 -22.522 -16.833 -2.084 1.00 24.53 H new ATOM 0 HG23 VAL A 92 -21.265 -18.062 -2.366 1.00 24.53 H new ATOM 1501 N ARG A 93 -25.872 -20.203 -2.488 1.00 12.30 N ATOM 1502 CA ARG A 93 -26.839 -21.208 -2.913 1.00 24.33 C ATOM 1503 C ARG A 93 -26.442 -21.810 -4.257 1.00 65.15 C ATOM 1504 O ARG A 93 -26.749 -22.966 -4.547 1.00 4.31 O ATOM 1505 CB ARG A 93 -28.236 -20.594 -3.010 1.00 34.25 C ATOM 1506 CG ARG A 93 -28.279 -19.299 -3.803 1.00 42.41 C ATOM 1507 CD ARG A 93 -29.687 -18.985 -4.283 1.00 14.13 C ATOM 1508 NE ARG A 93 -30.134 -17.666 -3.843 1.00 51.32 N ATOM 1509 CZ ARG A 93 -30.526 -17.398 -2.602 1.00 63.14 C ATOM 1510 NH1 ARG A 93 -30.525 -18.353 -1.683 1.00 31.31 N ATOM 1511 NH2 ARG A 93 -30.918 -16.173 -2.279 1.00 54.41 N ATOM 0 H ARG A 93 -26.282 -19.303 -2.237 1.00 12.30 H new ATOM 0 HA ARG A 93 -26.850 -22.003 -2.167 1.00 24.33 H new ATOM 0 HB2 ARG A 93 -28.909 -21.316 -3.473 1.00 34.25 H new ATOM 0 HB3 ARG A 93 -28.612 -20.407 -2.004 1.00 34.25 H new ATOM 0 HG2 ARG A 93 -27.914 -18.480 -3.184 1.00 42.41 H new ATOM 0 HG3 ARG A 93 -27.610 -19.374 -4.660 1.00 42.41 H new ATOM 0 HD2 ARG A 93 -29.718 -19.034 -5.371 1.00 14.13 H new ATOM 0 HD3 ARG A 93 -30.375 -19.744 -3.910 1.00 14.13 H new ATOM 0 HE ARG A 93 -30.146 -16.909 -4.526 1.00 51.32 H new ATOM 0 HH11 ARG A 93 -30.223 -19.296 -1.928 1.00 31.31 H new ATOM 0 HH12 ARG A 93 -30.826 -18.145 -0.731 1.00 31.31 H new ATOM 0 HH21 ARG A 93 -30.919 -15.435 -2.984 1.00 54.41 H new ATOM 0 HH22 ARG A 93 -31.219 -15.968 -1.326 1.00 54.41 H new ATOM 1525 N GLY A 94 -25.757 -21.017 -5.076 1.00 61.02 N ATOM 1526 CA GLY A 94 -25.330 -21.489 -6.381 1.00 3.55 C ATOM 1527 C GLY A 94 -23.984 -20.922 -6.790 1.00 35.33 C ATOM 1528 O GLY A 94 -23.916 -19.926 -7.509 1.00 63.21 O ATOM 0 H GLY A 94 -25.490 -20.057 -4.859 1.00 61.02 H new ATOM 0 HA2 GLY A 94 -25.274 -22.578 -6.370 1.00 3.55 H new ATOM 0 HA3 GLY A 94 -26.078 -21.216 -7.126 1.00 3.55 H new ATOM 1532 N ALA A 95 -22.912 -21.558 -6.329 1.00 41.41 N ATOM 1533 CA ALA A 95 -21.562 -21.111 -6.652 1.00 34.31 C ATOM 1534 C ALA A 95 -20.529 -22.163 -6.263 1.00 43.21 C ATOM 1535 O ALA A 95 -19.926 -22.803 -7.124 1.00 35.34 O ATOM 1536 CB ALA A 95 -21.263 -19.791 -5.957 1.00 24.42 C ATOM 0 H ALA A 95 -22.952 -22.384 -5.731 1.00 41.41 H new ATOM 0 HA ALA A 95 -21.502 -20.962 -7.730 1.00 34.31 H new ATOM 0 HB1 ALA A 95 -20.252 -19.469 -6.207 1.00 24.42 H new ATOM 0 HB2 ALA A 95 -21.976 -19.036 -6.287 1.00 24.42 H new ATOM 0 HB3 ALA A 95 -21.346 -19.921 -4.878 1.00 24.42 H new ATOM 1542 N GLY A 96 -20.327 -22.335 -4.960 1.00 74.00 N ATOM 1543 CA GLY A 96 -19.365 -23.310 -4.481 1.00 10.35 C ATOM 1544 C GLY A 96 -19.011 -23.106 -3.021 1.00 14.43 C ATOM 1545 O GLY A 96 -19.733 -23.558 -2.131 1.00 44.40 O ATOM 0 H GLY A 96 -20.812 -21.817 -4.228 1.00 74.00 H new ATOM 0 HA2 GLY A 96 -19.770 -24.313 -4.617 1.00 10.35 H new ATOM 0 HA3 GLY A 96 -18.459 -23.248 -5.084 1.00 10.35 H new ATOM 1549 N TYR A 97 -17.898 -22.425 -2.773 1.00 51.31 N ATOM 1550 CA TYR A 97 -17.448 -22.165 -1.411 1.00 22.43 C ATOM 1551 C TYR A 97 -16.575 -20.915 -1.354 1.00 34.20 C ATOM 1552 O TYR A 97 -15.719 -20.702 -2.212 1.00 24.10 O ATOM 1553 CB TYR A 97 -16.672 -23.368 -0.870 1.00 45.53 C ATOM 1554 CG TYR A 97 -17.106 -23.797 0.513 1.00 74.24 C ATOM 1555 CD1 TYR A 97 -18.158 -24.688 0.686 1.00 73.43 C ATOM 1556 CD2 TYR A 97 -16.466 -23.311 1.646 1.00 34.40 C ATOM 1557 CE1 TYR A 97 -18.560 -25.083 1.947 1.00 23.32 C ATOM 1558 CE2 TYR A 97 -16.860 -23.702 2.911 1.00 0.12 C ATOM 1559 CZ TYR A 97 -17.907 -24.588 3.057 1.00 52.23 C ATOM 1560 OH TYR A 97 -18.303 -24.978 4.315 1.00 32.24 O ATOM 0 H TYR A 97 -17.291 -22.043 -3.498 1.00 51.31 H new ATOM 0 HA TYR A 97 -18.328 -21.999 -0.790 1.00 22.43 H new ATOM 0 HB2 TYR A 97 -16.794 -24.206 -1.556 1.00 45.53 H new ATOM 0 HB3 TYR A 97 -15.610 -23.125 -0.849 1.00 45.53 H new ATOM 0 HD1 TYR A 97 -18.670 -25.079 -0.181 1.00 73.43 H new ATOM 0 HD2 TYR A 97 -15.647 -22.616 1.536 1.00 34.40 H new ATOM 0 HE1 TYR A 97 -19.381 -25.775 2.063 1.00 23.32 H new ATOM 0 HE2 TYR A 97 -16.351 -23.316 3.782 1.00 0.12 H new ATOM 0 HH TYR A 97 -18.556 -25.925 4.299 1.00 32.24 H new ATOM 1570 N VAL A 98 -16.800 -20.091 -0.336 1.00 3.34 N ATOM 1571 CA VAL A 98 -16.034 -18.862 -0.164 1.00 10.11 C ATOM 1572 C VAL A 98 -15.955 -18.464 1.306 1.00 75.22 C ATOM 1573 O VAL A 98 -16.766 -18.902 2.123 1.00 32.21 O ATOM 1574 CB VAL A 98 -16.649 -17.700 -0.967 1.00 35.35 C ATOM 1575 CG1 VAL A 98 -17.926 -17.209 -0.302 1.00 32.05 C ATOM 1576 CG2 VAL A 98 -15.646 -16.567 -1.116 1.00 54.55 C ATOM 0 H VAL A 98 -17.506 -20.252 0.382 1.00 3.34 H new ATOM 0 HA VAL A 98 -15.030 -19.061 -0.538 1.00 10.11 H new ATOM 0 HB VAL A 98 -16.903 -18.063 -1.963 1.00 35.35 H new ATOM 0 HG11 VAL A 98 -18.346 -16.388 -0.883 1.00 32.05 H new ATOM 0 HG12 VAL A 98 -18.647 -18.025 -0.252 1.00 32.05 H new ATOM 0 HG13 VAL A 98 -17.701 -16.862 0.706 1.00 32.05 H new ATOM 0 HG21 VAL A 98 -16.097 -15.754 -1.686 1.00 54.55 H new ATOM 0 HG22 VAL A 98 -15.359 -16.203 -0.129 1.00 54.55 H new ATOM 0 HG23 VAL A 98 -14.762 -16.930 -1.640 1.00 54.55 H new ATOM 1586 N LEU A 99 -14.975 -17.631 1.636 1.00 63.22 N ATOM 1587 CA LEU A 99 -14.790 -17.173 3.008 1.00 3.33 C ATOM 1588 C LEU A 99 -15.072 -15.678 3.126 1.00 62.32 C ATOM 1589 O LEU A 99 -14.938 -14.934 2.155 1.00 2.13 O ATOM 1590 CB LEU A 99 -13.366 -17.473 3.480 1.00 62.14 C ATOM 1591 CG LEU A 99 -12.270 -17.364 2.418 1.00 35.42 C ATOM 1592 CD1 LEU A 99 -12.288 -15.988 1.772 1.00 1.23 C ATOM 1593 CD2 LEU A 99 -10.906 -17.652 3.028 1.00 34.22 C ATOM 0 H LEU A 99 -14.296 -17.259 0.972 1.00 63.22 H new ATOM 0 HA LEU A 99 -15.497 -17.709 3.642 1.00 3.33 H new ATOM 0 HB2 LEU A 99 -13.124 -16.791 4.295 1.00 62.14 H new ATOM 0 HB3 LEU A 99 -13.346 -18.482 3.892 1.00 62.14 H new ATOM 0 HG LEU A 99 -12.464 -18.108 1.645 1.00 35.42 H new ATOM 0 HD11 LEU A 99 -11.502 -15.929 1.019 1.00 1.23 H new ATOM 0 HD12 LEU A 99 -13.256 -15.821 1.299 1.00 1.23 H new ATOM 0 HD13 LEU A 99 -12.119 -15.226 2.533 1.00 1.23 H new ATOM 0 HD21 LEU A 99 -10.139 -17.570 2.258 1.00 34.22 H new ATOM 0 HD22 LEU A 99 -10.703 -16.932 3.821 1.00 34.22 H new ATOM 0 HD23 LEU A 99 -10.898 -18.660 3.442 1.00 34.22 H new ATOM 1605 N GLU A 100 -15.461 -15.247 4.322 1.00 40.14 N ATOM 1606 CA GLU A 100 -15.760 -13.841 4.565 1.00 12.24 C ATOM 1607 C GLU A 100 -16.061 -13.596 6.042 1.00 64.55 C ATOM 1608 O GLU A 100 -16.373 -14.528 6.784 1.00 3.55 O ATOM 1609 CB GLU A 100 -16.948 -13.394 3.711 1.00 13.32 C ATOM 1610 CG GLU A 100 -16.908 -11.922 3.336 1.00 55.21 C ATOM 1611 CD GLU A 100 -17.957 -11.554 2.304 1.00 31.31 C ATOM 1612 OE1 GLU A 100 -18.431 -12.463 1.591 1.00 61.52 O ATOM 1613 OE2 GLU A 100 -18.304 -10.358 2.210 1.00 62.44 O ATOM 0 H GLU A 100 -15.576 -15.850 5.136 1.00 40.14 H new ATOM 0 HA GLU A 100 -14.882 -13.257 4.288 1.00 12.24 H new ATOM 0 HB2 GLU A 100 -16.975 -13.992 2.800 1.00 13.32 H new ATOM 0 HB3 GLU A 100 -17.871 -13.597 4.253 1.00 13.32 H new ATOM 0 HG2 GLU A 100 -17.057 -11.319 4.231 1.00 55.21 H new ATOM 0 HG3 GLU A 100 -15.920 -11.677 2.947 1.00 55.21 H new ATOM 1620 N ILE A 101 -15.963 -12.339 6.459 1.00 52.34 N ATOM 1621 CA ILE A 101 -16.225 -11.972 7.845 1.00 44.32 C ATOM 1622 C ILE A 101 -17.494 -11.135 7.962 1.00 74.50 C ATOM 1623 O ILE A 101 -18.158 -10.853 6.964 1.00 1.22 O ATOM 1624 CB ILE A 101 -15.047 -11.185 8.451 1.00 54.35 C ATOM 1625 CG1 ILE A 101 -14.643 -10.036 7.524 1.00 13.13 C ATOM 1626 CG2 ILE A 101 -13.866 -12.110 8.703 1.00 51.41 C ATOM 1627 CD1 ILE A 101 -13.597 -10.423 6.503 1.00 41.22 C ATOM 0 H ILE A 101 -15.704 -11.557 5.857 1.00 52.34 H new ATOM 0 HA ILE A 101 -16.354 -12.902 8.399 1.00 44.32 H new ATOM 0 HB ILE A 101 -15.363 -10.763 9.405 1.00 54.35 H new ATOM 0 HG12 ILE A 101 -15.529 -9.671 7.004 1.00 13.13 H new ATOM 0 HG13 ILE A 101 -14.263 -9.210 8.126 1.00 13.13 H new ATOM 0 HG21 ILE A 101 -13.042 -11.539 9.131 1.00 51.41 H new ATOM 0 HG22 ILE A 101 -14.162 -12.897 9.397 1.00 51.41 H new ATOM 0 HG23 ILE A 101 -13.547 -12.558 7.762 1.00 51.41 H new ATOM 0 HD11 ILE A 101 -13.359 -9.560 5.881 1.00 41.22 H new ATOM 0 HD12 ILE A 101 -12.696 -10.760 7.015 1.00 41.22 H new ATOM 0 HD13 ILE A 101 -13.981 -11.228 5.876 1.00 41.22 H new ATOM 1639 N ARG A 102 -17.826 -10.741 9.187 1.00 23.21 N ATOM 1640 CA ARG A 102 -19.016 -9.936 9.435 1.00 22.30 C ATOM 1641 C ARG A 102 -18.638 -8.500 9.785 1.00 44.03 C ATOM 1642 O ARG A 102 -19.406 -7.570 9.543 1.00 41.23 O ATOM 1643 CB ARG A 102 -19.844 -10.547 10.567 1.00 2.02 C ATOM 1644 CG ARG A 102 -19.125 -10.564 11.906 1.00 31.34 C ATOM 1645 CD ARG A 102 -19.463 -9.335 12.736 1.00 70.41 C ATOM 1646 NE ARG A 102 -19.393 -9.606 14.169 1.00 25.33 N ATOM 1647 CZ ARG A 102 -19.809 -8.755 15.099 1.00 14.45 C ATOM 1648 NH1 ARG A 102 -20.324 -7.584 14.749 1.00 72.24 N ATOM 1649 NH2 ARG A 102 -19.712 -9.073 16.384 1.00 71.21 N ATOM 0 H ARG A 102 -17.287 -10.966 10.023 1.00 23.21 H new ATOM 0 HA ARG A 102 -19.613 -9.924 8.523 1.00 22.30 H new ATOM 0 HB2 ARG A 102 -20.773 -9.986 10.670 1.00 2.02 H new ATOM 0 HB3 ARG A 102 -20.116 -11.567 10.297 1.00 2.02 H new ATOM 0 HG2 ARG A 102 -19.401 -11.463 12.457 1.00 31.34 H new ATOM 0 HG3 ARG A 102 -18.048 -10.608 11.742 1.00 31.34 H new ATOM 0 HD2 ARG A 102 -18.774 -8.528 12.486 1.00 70.41 H new ATOM 0 HD3 ARG A 102 -20.465 -8.990 12.481 1.00 70.41 H new ATOM 0 HE ARG A 102 -19.003 -10.498 14.472 1.00 25.33 H new ATOM 0 HH11 ARG A 102 -20.401 -7.335 13.763 1.00 72.24 H new ATOM 0 HH12 ARG A 102 -20.643 -6.932 15.466 1.00 72.24 H new ATOM 0 HH21 ARG A 102 -19.317 -9.973 16.658 1.00 71.21 H new ATOM 0 HH22 ARG A 102 -20.032 -8.418 17.097 1.00 71.21 H new ATOM 1663 N GLU A 103 -17.449 -8.329 10.356 1.00 53.55 N ATOM 1664 CA GLU A 103 -16.971 -7.006 10.739 1.00 3.34 C ATOM 1665 C GLU A 103 -16.935 -6.069 9.535 1.00 35.20 C ATOM 1666 O GLU A 103 -17.132 -4.862 9.669 1.00 31.03 O ATOM 1667 CB GLU A 103 -15.577 -7.104 11.364 1.00 72.45 C ATOM 1668 CG GLU A 103 -14.483 -7.431 10.361 1.00 30.01 C ATOM 1669 CD GLU A 103 -13.099 -7.411 10.981 1.00 72.13 C ATOM 1670 OE1 GLU A 103 -12.999 -7.175 12.203 1.00 50.13 O ATOM 1671 OE2 GLU A 103 -12.116 -7.632 10.243 1.00 72.23 O ATOM 0 H GLU A 103 -16.801 -9.089 10.563 1.00 53.55 H new ATOM 0 HA GLU A 103 -17.664 -6.597 11.474 1.00 3.34 H new ATOM 0 HB2 GLU A 103 -15.340 -6.159 11.853 1.00 72.45 H new ATOM 0 HB3 GLU A 103 -15.588 -7.870 12.139 1.00 72.45 H new ATOM 0 HG2 GLU A 103 -14.671 -8.415 9.932 1.00 30.01 H new ATOM 0 HG3 GLU A 103 -14.520 -6.714 9.541 1.00 30.01 H new ATOM 1678 N GLU A 104 -16.683 -6.636 8.359 1.00 2.13 N ATOM 1679 CA GLU A 104 -16.620 -5.851 7.132 1.00 73.53 C ATOM 1680 C GLU A 104 -17.930 -5.104 6.896 1.00 22.22 C ATOM 1681 O GLU A 104 -18.970 -5.466 7.445 1.00 24.44 O ATOM 1682 CB GLU A 104 -16.315 -6.757 5.937 1.00 51.14 C ATOM 1683 CG GLU A 104 -16.224 -6.011 4.616 1.00 64.32 C ATOM 1684 CD GLU A 104 -15.416 -4.732 4.723 1.00 72.23 C ATOM 1685 OE1 GLU A 104 -14.213 -4.816 5.048 1.00 71.35 O ATOM 1686 OE2 GLU A 104 -15.987 -3.648 4.482 1.00 44.01 O ATOM 0 H GLU A 104 -16.519 -7.635 8.230 1.00 2.13 H new ATOM 0 HA GLU A 104 -15.819 -5.120 7.239 1.00 73.53 H new ATOM 0 HB2 GLU A 104 -15.374 -7.277 6.117 1.00 51.14 H new ATOM 0 HB3 GLU A 104 -17.091 -7.519 5.862 1.00 51.14 H new ATOM 0 HG2 GLU A 104 -15.772 -6.661 3.867 1.00 64.32 H new ATOM 0 HG3 GLU A 104 -17.229 -5.773 4.267 1.00 64.32 H new