USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=22 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 -30:sc= 0.134 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 82:sc= 0.0469 USER MOD Single : A 11 MET CE :methyl 150:sc= -0.137 (180deg=-1.49) 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 -46:sc= 0.518 USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.037 (180deg=-0.273) USER MOD Single : A 26 LYS NZ :NH3+ -139:sc= -0.159 (180deg=-0.903) USER MOD Single : A 28 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=-0.32) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.051 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -81:sc= 1.04 USER MOD Single : A 55 SER OG : rot 180:sc= -0.59 USER MOD Single : A 59 ASN : amide:sc= -0.0366 X(o=-0.037,f=-0.24) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.115 K(o=-0.12,f=-1.8!) USER MOD Single : A 64 SER OG : rot 150:sc= -0.0451 USER MOD Single : A 66 THR OG1 : rot -53:sc= 0.778 USER MOD Single : A 67 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.5!) USER MOD Single : A 78 SER OG : rot -15:sc= 1.14 USER MOD Single : A 79 LYS NZ :NH3+ -120:sc= -0.0754 (180deg=-0.532) USER MOD Single : A 87 LYS NZ :NH3+ 150:sc= -0.242 (180deg=-1.27) USER MOD Single : A 90 HIS : no HD1:sc= -0.0085 X(o=-0.0085,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 169:sc= -0.0968 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 4 1.074 -8.360 0.636 1.00 0.02 N ATOM 39 CA THR A 4 1.187 -9.813 0.662 1.00 53.25 C ATOM 40 C THR A 4 0.734 -10.376 2.004 1.00 61.02 C ATOM 41 O THR A 4 1.149 -11.464 2.404 1.00 73.15 O ATOM 42 CB THR A 4 2.632 -10.269 0.387 1.00 2.04 C ATOM 43 OG1 THR A 4 3.531 -9.617 1.291 1.00 4.11 O ATOM 44 CG2 THR A 4 3.034 -9.960 -1.047 1.00 22.31 C ATOM 0 HA THR A 4 0.538 -10.195 -0.126 1.00 53.25 H new ATOM 0 HB THR A 4 2.684 -11.347 0.537 1.00 2.04 H new ATOM 0 HG1 THR A 4 3.174 -8.736 1.528 1.00 4.11 H new ATOM 0 HG21 THR A 4 4.058 -10.291 -1.217 1.00 22.31 H new ATOM 0 HG22 THR A 4 2.366 -10.481 -1.733 1.00 22.31 H new ATOM 0 HG23 THR A 4 2.966 -8.886 -1.220 1.00 22.31 H new ATOM 52 N VAL A 5 -0.120 -9.629 2.696 1.00 1.12 N ATOM 53 CA VAL A 5 -0.631 -10.055 3.994 1.00 44.03 C ATOM 54 C VAL A 5 -2.049 -9.543 4.221 1.00 25.12 C ATOM 55 O VAL A 5 -2.270 -8.340 4.362 1.00 41.44 O ATOM 56 CB VAL A 5 0.271 -9.563 5.141 1.00 4.11 C ATOM 57 CG1 VAL A 5 -0.259 -10.046 6.482 1.00 13.23 C ATOM 58 CG2 VAL A 5 1.705 -10.026 4.928 1.00 54.15 C ATOM 0 H VAL A 5 -0.473 -8.726 2.380 1.00 1.12 H new ATOM 0 HA VAL A 5 -0.638 -11.145 3.990 1.00 44.03 H new ATOM 0 HB VAL A 5 0.262 -8.473 5.144 1.00 4.11 H new ATOM 0 HG11 VAL A 5 0.391 -9.689 7.280 1.00 13.23 H new ATOM 0 HG12 VAL A 5 -1.267 -9.660 6.635 1.00 13.23 H new ATOM 0 HG13 VAL A 5 -0.282 -11.136 6.493 1.00 13.23 H new ATOM 0 HG21 VAL A 5 2.328 -9.669 5.748 1.00 54.15 H new ATOM 0 HG22 VAL A 5 1.735 -11.115 4.897 1.00 54.15 H new ATOM 0 HG23 VAL A 5 2.080 -9.626 3.986 1.00 54.15 H new ATOM 68 N CYS A 6 -3.005 -10.464 4.257 1.00 12.20 N ATOM 69 CA CYS A 6 -4.403 -10.106 4.467 1.00 15.25 C ATOM 70 C CYS A 6 -4.831 -10.403 5.901 1.00 2.42 C ATOM 71 O CYS A 6 -4.931 -11.562 6.304 1.00 22.10 O ATOM 72 CB CYS A 6 -5.299 -10.866 3.488 1.00 51.41 C ATOM 73 SG CYS A 6 -6.240 -9.801 2.370 1.00 43.25 S ATOM 0 H CYS A 6 -2.838 -11.464 4.144 1.00 12.20 H new ATOM 0 HA CYS A 6 -4.508 -9.036 4.289 1.00 15.25 H new ATOM 0 HB2 CYS A 6 -4.681 -11.541 2.896 1.00 51.41 H new ATOM 0 HB3 CYS A 6 -5.995 -11.485 4.054 1.00 51.41 H new ATOM 0 HG CYS A 6 -6.965 -10.535 1.580 1.00 43.25 H new ATOM 79 N THR A 7 -5.081 -9.347 6.669 1.00 3.34 N ATOM 80 CA THR A 7 -5.494 -9.493 8.059 1.00 33.32 C ATOM 81 C THR A 7 -6.999 -9.715 8.165 1.00 42.34 C ATOM 82 O THR A 7 -7.762 -9.280 7.301 1.00 5.23 O ATOM 83 CB THR A 7 -5.109 -8.257 8.893 1.00 31.14 C ATOM 84 OG1 THR A 7 -4.354 -7.341 8.092 1.00 34.22 O ATOM 85 CG2 THR A 7 -4.296 -8.660 10.114 1.00 22.12 C ATOM 0 H THR A 7 -5.005 -8.381 6.351 1.00 3.34 H new ATOM 0 HA THR A 7 -4.972 -10.365 8.453 1.00 33.32 H new ATOM 0 HB THR A 7 -6.026 -7.774 9.230 1.00 31.14 H new ATOM 0 HG1 THR A 7 -4.965 -6.799 7.551 1.00 34.22 H new ATOM 0 HG21 THR A 7 -4.036 -7.770 10.688 1.00 22.12 H new ATOM 0 HG22 THR A 7 -4.884 -9.334 10.737 1.00 22.12 H new ATOM 0 HG23 THR A 7 -3.385 -9.165 9.794 1.00 22.12 H new ATOM 93 N ILE A 8 -7.419 -10.392 9.227 1.00 33.43 N ATOM 94 CA ILE A 8 -8.834 -10.669 9.446 1.00 63.34 C ATOM 95 C ILE A 8 -9.265 -10.256 10.849 1.00 44.23 C ATOM 96 O ILE A 8 -8.511 -9.609 11.575 1.00 51.40 O ATOM 97 CB ILE A 8 -9.153 -12.162 9.242 1.00 71.13 C ATOM 98 CG1 ILE A 8 -7.861 -12.965 9.079 1.00 2.01 C ATOM 99 CG2 ILE A 8 -10.056 -12.350 8.031 1.00 23.15 C ATOM 100 CD1 ILE A 8 -7.241 -12.841 7.705 1.00 52.03 C ATOM 0 H ILE A 8 -6.800 -10.759 9.950 1.00 33.43 H new ATOM 0 HA ILE A 8 -9.387 -10.083 8.712 1.00 63.34 H new ATOM 0 HB ILE A 8 -9.678 -12.530 10.124 1.00 71.13 H new ATOM 0 HG12 ILE A 8 -7.140 -12.632 9.825 1.00 2.01 H new ATOM 0 HG13 ILE A 8 -8.068 -14.016 9.282 1.00 2.01 H new ATOM 0 HG21 ILE A 8 -10.273 -13.410 7.900 1.00 23.15 H new ATOM 0 HG22 ILE A 8 -10.988 -11.805 8.184 1.00 23.15 H new ATOM 0 HG23 ILE A 8 -9.555 -11.969 7.141 1.00 23.15 H new ATOM 0 HD11 ILE A 8 -6.329 -13.436 7.662 1.00 52.03 H new ATOM 0 HD12 ILE A 8 -7.945 -13.201 6.954 1.00 52.03 H new ATOM 0 HD13 ILE A 8 -7.002 -11.796 7.507 1.00 52.03 H new ATOM 112 N ALA A 9 -10.482 -10.636 11.224 1.00 4.10 N ATOM 113 CA ALA A 9 -11.012 -10.308 12.542 1.00 62.24 C ATOM 114 C ALA A 9 -9.969 -10.548 13.628 1.00 32.52 C ATOM 115 O ALA A 9 -9.738 -9.691 14.480 1.00 2.44 O ATOM 116 CB ALA A 9 -12.267 -11.121 12.823 1.00 62.13 C ATOM 0 H ALA A 9 -11.119 -11.171 10.634 1.00 4.10 H new ATOM 0 HA ALA A 9 -11.269 -9.249 12.550 1.00 62.24 H new ATOM 0 HB1 ALA A 9 -12.652 -10.866 13.810 1.00 62.13 H new ATOM 0 HB2 ALA A 9 -13.022 -10.896 12.070 1.00 62.13 H new ATOM 0 HB3 ALA A 9 -12.027 -12.184 12.790 1.00 62.13 H new ATOM 122 N ASP A 10 -9.344 -11.720 13.593 1.00 43.24 N ATOM 123 CA ASP A 10 -8.325 -12.073 14.575 1.00 40.24 C ATOM 124 C ASP A 10 -7.369 -13.121 14.013 1.00 10.32 C ATOM 125 O ASP A 10 -7.231 -14.210 14.569 1.00 75.34 O ATOM 126 CB ASP A 10 -8.979 -12.595 15.855 1.00 53.04 C ATOM 127 CG ASP A 10 -9.764 -11.522 16.583 1.00 12.20 C ATOM 128 OD1 ASP A 10 -9.162 -10.801 17.406 1.00 5.01 O ATOM 129 OD2 ASP A 10 -10.981 -11.402 16.329 1.00 1.04 O ATOM 0 H ASP A 10 -9.525 -12.442 12.895 1.00 43.24 H new ATOM 0 HA ASP A 10 -7.754 -11.175 14.809 1.00 40.24 H new ATOM 0 HB2 ASP A 10 -9.644 -13.423 15.608 1.00 53.04 H new ATOM 0 HB3 ASP A 10 -8.209 -12.991 16.518 1.00 53.04 H new ATOM 134 N MET A 11 -6.712 -12.783 12.908 1.00 22.45 N ATOM 135 CA MET A 11 -5.769 -13.696 12.272 1.00 4.42 C ATOM 136 C MET A 11 -4.964 -12.979 11.193 1.00 64.35 C ATOM 137 O MET A 11 -5.258 -11.837 10.838 1.00 31.14 O ATOM 138 CB MET A 11 -6.510 -14.888 11.665 1.00 31.11 C ATOM 139 CG MET A 11 -5.697 -16.172 11.662 1.00 23.25 C ATOM 140 SD MET A 11 -6.721 -17.644 11.855 1.00 40.41 S ATOM 141 CE MET A 11 -7.237 -17.920 10.162 1.00 33.42 C ATOM 0 H MET A 11 -6.815 -11.885 12.435 1.00 22.45 H new ATOM 0 HA MET A 11 -5.080 -14.058 13.035 1.00 4.42 H new ATOM 0 HB2 MET A 11 -7.433 -15.053 12.221 1.00 31.11 H new ATOM 0 HB3 MET A 11 -6.794 -14.645 10.641 1.00 31.11 H new ATOM 0 HG2 MET A 11 -5.139 -16.242 10.728 1.00 23.25 H new ATOM 0 HG3 MET A 11 -4.965 -16.135 12.468 1.00 23.25 H new ATOM 0 HE1 MET A 11 -7.395 -18.986 9.999 1.00 33.42 H new ATOM 0 HE2 MET A 11 -8.166 -17.382 9.973 1.00 33.42 H new ATOM 0 HE3 MET A 11 -6.464 -17.560 9.483 1.00 33.42 H new ATOM 151 N THR A 12 -3.945 -13.657 10.672 1.00 31.11 N ATOM 152 CA THR A 12 -3.097 -13.085 9.634 1.00 0.02 C ATOM 153 C THR A 12 -2.841 -14.090 8.517 1.00 24.44 C ATOM 154 O THR A 12 -2.084 -15.046 8.690 1.00 5.31 O ATOM 155 CB THR A 12 -1.746 -12.616 10.207 1.00 34.15 C ATOM 156 OG1 THR A 12 -1.946 -11.983 11.476 1.00 20.23 O ATOM 157 CG2 THR A 12 -1.061 -11.649 9.255 1.00 44.43 C ATOM 0 H THR A 12 -3.688 -14.603 10.953 1.00 31.11 H new ATOM 0 HA THR A 12 -3.630 -12.225 9.229 1.00 0.02 H new ATOM 0 HB THR A 12 -1.107 -13.490 10.334 1.00 34.15 H new ATOM 0 HG1 THR A 12 -1.083 -11.689 11.835 1.00 20.23 H new ATOM 0 HG21 THR A 12 -0.109 -11.332 9.681 1.00 44.43 H new ATOM 0 HG22 THR A 12 -0.884 -12.143 8.300 1.00 44.43 H new ATOM 0 HG23 THR A 12 -1.698 -10.778 9.101 1.00 44.43 H new ATOM 165 N VAL A 13 -3.476 -13.869 7.371 1.00 64.02 N ATOM 166 CA VAL A 13 -3.314 -14.755 6.224 1.00 35.22 C ATOM 167 C VAL A 13 -2.208 -14.261 5.299 1.00 20.31 C ATOM 168 O VAL A 13 -2.060 -13.059 5.078 1.00 21.21 O ATOM 169 CB VAL A 13 -4.623 -14.878 5.421 1.00 12.24 C ATOM 170 CG1 VAL A 13 -4.422 -15.769 4.205 1.00 34.45 C ATOM 171 CG2 VAL A 13 -5.742 -15.410 6.304 1.00 25.45 C ATOM 0 H VAL A 13 -4.108 -13.084 7.212 1.00 64.02 H new ATOM 0 HA VAL A 13 -3.044 -15.735 6.617 1.00 35.22 H new ATOM 0 HB VAL A 13 -4.909 -13.886 5.071 1.00 12.24 H new ATOM 0 HG11 VAL A 13 -5.357 -15.844 3.650 1.00 34.45 H new ATOM 0 HG12 VAL A 13 -3.653 -15.340 3.563 1.00 34.45 H new ATOM 0 HG13 VAL A 13 -4.112 -16.762 4.529 1.00 34.45 H new ATOM 0 HG21 VAL A 13 -6.659 -15.490 5.720 1.00 25.45 H new ATOM 0 HG22 VAL A 13 -5.468 -16.393 6.686 1.00 25.45 H new ATOM 0 HG23 VAL A 13 -5.902 -14.728 7.139 1.00 25.45 H new ATOM 181 N ASP A 14 -1.434 -15.197 4.760 1.00 5.45 N ATOM 182 CA ASP A 14 -0.340 -14.857 3.857 1.00 73.00 C ATOM 183 C ASP A 14 -0.613 -15.385 2.452 1.00 42.11 C ATOM 184 O ASP A 14 -0.762 -16.590 2.249 1.00 4.50 O ATOM 185 CB ASP A 14 0.979 -15.426 4.382 1.00 51.40 C ATOM 186 CG ASP A 14 2.067 -14.374 4.475 1.00 55.41 C ATOM 187 OD1 ASP A 14 1.918 -13.436 5.287 1.00 22.42 O ATOM 188 OD2 ASP A 14 3.067 -14.488 3.736 1.00 15.20 O ATOM 0 H ASP A 14 -1.544 -16.196 4.932 1.00 5.45 H new ATOM 0 HA ASP A 14 -0.264 -13.771 3.810 1.00 73.00 H new ATOM 0 HB2 ASP A 14 0.816 -15.864 5.367 1.00 51.40 H new ATOM 0 HB3 ASP A 14 1.311 -16.231 3.726 1.00 51.40 H new ATOM 193 N MET A 15 -0.678 -14.475 1.486 1.00 43.24 N ATOM 194 CA MET A 15 -0.932 -14.849 0.099 1.00 32.34 C ATOM 195 C MET A 15 0.356 -15.287 -0.591 1.00 12.50 C ATOM 196 O MET A 15 0.327 -15.824 -1.698 1.00 71.20 O ATOM 197 CB MET A 15 -1.560 -13.679 -0.660 1.00 71.34 C ATOM 198 CG MET A 15 -0.578 -12.563 -0.976 1.00 51.30 C ATOM 199 SD MET A 15 -1.325 -11.231 -1.935 1.00 32.10 S ATOM 200 CE MET A 15 -0.960 -11.769 -3.604 1.00 20.52 C ATOM 0 H MET A 15 -0.558 -13.473 1.638 1.00 43.24 H new ATOM 0 HA MET A 15 -1.627 -15.689 0.096 1.00 32.34 H new ATOM 0 HB2 MET A 15 -1.989 -14.049 -1.591 1.00 71.34 H new ATOM 0 HB3 MET A 15 -2.382 -13.273 -0.070 1.00 71.34 H new ATOM 0 HG2 MET A 15 -0.183 -12.157 -0.045 1.00 51.30 H new ATOM 0 HG3 MET A 15 0.267 -12.974 -1.529 1.00 51.30 H new ATOM 0 HE1 MET A 15 -1.360 -11.046 -4.315 1.00 20.52 H new ATOM 0 HE2 MET A 15 0.120 -11.847 -3.733 1.00 20.52 H new ATOM 0 HE3 MET A 15 -1.417 -12.742 -3.781 1.00 20.52 H new ATOM 210 N VAL A 16 1.485 -15.052 0.070 1.00 42.13 N ATOM 211 CA VAL A 16 2.784 -15.422 -0.480 1.00 73.33 C ATOM 212 C VAL A 16 3.361 -16.635 0.241 1.00 35.03 C ATOM 213 O VAL A 16 4.081 -17.438 -0.352 1.00 34.53 O ATOM 214 CB VAL A 16 3.787 -14.257 -0.385 1.00 75.13 C ATOM 215 CG1 VAL A 16 3.402 -13.142 -1.346 1.00 65.10 C ATOM 216 CG2 VAL A 16 3.866 -13.738 1.042 1.00 32.15 C ATOM 0 H VAL A 16 1.526 -14.607 0.987 1.00 42.13 H new ATOM 0 HA VAL A 16 2.624 -15.669 -1.530 1.00 73.33 H new ATOM 0 HB VAL A 16 4.773 -14.625 -0.669 1.00 75.13 H new ATOM 0 HG11 VAL A 16 4.122 -12.327 -1.265 1.00 65.10 H new ATOM 0 HG12 VAL A 16 3.401 -13.525 -2.366 1.00 65.10 H new ATOM 0 HG13 VAL A 16 2.407 -12.773 -1.096 1.00 65.10 H new ATOM 0 HG21 VAL A 16 4.579 -12.915 1.091 1.00 32.15 H new ATOM 0 HG22 VAL A 16 2.883 -13.386 1.356 1.00 32.15 H new ATOM 0 HG23 VAL A 16 4.192 -14.541 1.704 1.00 32.15 H new ATOM 226 N ARG A 17 3.039 -16.761 1.525 1.00 71.34 N ATOM 227 CA ARG A 17 3.526 -17.876 2.328 1.00 32.11 C ATOM 228 C ARG A 17 2.435 -18.926 2.519 1.00 12.34 C ATOM 229 O ARG A 17 2.716 -20.070 2.877 1.00 42.34 O ATOM 230 CB ARG A 17 4.012 -17.377 3.690 1.00 43.22 C ATOM 231 CG ARG A 17 5.276 -16.536 3.614 1.00 1.31 C ATOM 232 CD ARG A 17 5.881 -16.313 4.992 1.00 74.34 C ATOM 233 NE ARG A 17 6.626 -15.059 5.066 1.00 33.54 N ATOM 234 CZ ARG A 17 7.519 -14.791 6.012 1.00 13.43 C ATOM 235 NH1 ARG A 17 7.777 -15.683 6.958 1.00 34.12 N ATOM 236 NH2 ARG A 17 8.156 -13.627 6.013 1.00 3.10 N ATOM 0 H ARG A 17 2.444 -16.105 2.031 1.00 71.34 H new ATOM 0 HA ARG A 17 4.360 -18.336 1.798 1.00 32.11 H new ATOM 0 HB2 ARG A 17 3.221 -16.788 4.155 1.00 43.22 H new ATOM 0 HB3 ARG A 17 4.194 -18.234 4.338 1.00 43.22 H new ATOM 0 HG2 ARG A 17 6.005 -17.030 2.971 1.00 1.31 H new ATOM 0 HG3 ARG A 17 5.047 -15.574 3.156 1.00 1.31 H new ATOM 0 HD2 ARG A 17 5.088 -16.308 5.740 1.00 74.34 H new ATOM 0 HD3 ARG A 17 6.544 -17.143 5.236 1.00 74.34 H new ATOM 0 HE ARG A 17 6.451 -14.351 4.353 1.00 33.54 H new ATOM 0 HH11 ARG A 17 7.289 -16.579 6.961 1.00 34.12 H new ATOM 0 HH12 ARG A 17 8.463 -15.474 7.683 1.00 34.12 H new ATOM 0 HH21 ARG A 17 7.960 -12.938 5.287 1.00 3.10 H new ATOM 0 HH22 ARG A 17 8.842 -13.422 6.740 1.00 3.10 H new ATOM 250 N ARG A 18 1.190 -18.528 2.280 1.00 54.14 N ATOM 251 CA ARG A 18 0.057 -19.433 2.427 1.00 35.31 C ATOM 252 C ARG A 18 -0.030 -19.968 3.854 1.00 70.04 C ATOM 253 O ARG A 18 -0.042 -21.179 4.075 1.00 24.42 O ATOM 254 CB ARG A 18 0.175 -20.597 1.441 1.00 34.12 C ATOM 255 CG ARG A 18 0.182 -20.163 -0.015 1.00 53.14 C ATOM 256 CD ARG A 18 1.583 -19.798 -0.481 1.00 75.33 C ATOM 257 NE ARG A 18 1.714 -19.875 -1.934 1.00 32.52 N ATOM 258 CZ ARG A 18 1.843 -21.017 -2.600 1.00 72.23 C ATOM 259 NH1 ARG A 18 1.857 -22.171 -1.948 1.00 63.52 N ATOM 260 NH2 ARG A 18 1.957 -21.006 -3.922 1.00 40.23 N ATOM 0 H ARG A 18 0.940 -17.584 1.984 1.00 54.14 H new ATOM 0 HA ARG A 18 -0.853 -18.873 2.211 1.00 35.31 H new ATOM 0 HB2 ARG A 18 1.091 -21.149 1.651 1.00 34.12 H new ATOM 0 HB3 ARG A 18 -0.655 -21.284 1.602 1.00 34.12 H new ATOM 0 HG2 ARG A 18 -0.212 -20.967 -0.637 1.00 53.14 H new ATOM 0 HG3 ARG A 18 -0.480 -19.307 -0.144 1.00 53.14 H new ATOM 0 HD2 ARG A 18 1.824 -18.788 -0.148 1.00 75.33 H new ATOM 0 HD3 ARG A 18 2.306 -20.468 -0.016 1.00 75.33 H new ATOM 0 HE ARG A 18 1.706 -19.005 -2.466 1.00 32.52 H new ATOM 0 HH11 ARG A 18 1.769 -22.184 -0.932 1.00 63.52 H new ATOM 0 HH12 ARG A 18 1.956 -23.046 -2.462 1.00 63.52 H new ATOM 0 HH21 ARG A 18 1.946 -20.120 -4.428 1.00 40.23 H new ATOM 0 HH22 ARG A 18 2.056 -21.883 -4.433 1.00 40.23 H new ATOM 274 N THR A 19 -0.090 -19.056 4.819 1.00 32.34 N ATOM 275 CA THR A 19 -0.174 -19.435 6.224 1.00 22.31 C ATOM 276 C THR A 19 -1.250 -18.633 6.947 1.00 72.52 C ATOM 277 O THR A 19 -1.821 -17.696 6.388 1.00 23.42 O ATOM 278 CB THR A 19 1.173 -19.229 6.943 1.00 70.33 C ATOM 279 OG1 THR A 19 1.399 -17.834 7.170 1.00 54.30 O ATOM 280 CG2 THR A 19 2.317 -19.806 6.123 1.00 24.43 C ATOM 0 H THR A 19 -0.082 -18.050 4.653 1.00 32.34 H new ATOM 0 HA THR A 19 -0.434 -20.493 6.250 1.00 22.31 H new ATOM 0 HB THR A 19 1.133 -19.750 7.899 1.00 70.33 H new ATOM 0 HG1 THR A 19 2.256 -17.712 7.629 1.00 54.30 H new ATOM 0 HG21 THR A 19 3.258 -19.649 6.650 1.00 24.43 H new ATOM 0 HG22 THR A 19 2.157 -20.874 5.977 1.00 24.43 H new ATOM 0 HG23 THR A 19 2.357 -19.309 5.154 1.00 24.43 H new ATOM 288 N VAL A 20 -1.523 -19.007 8.193 1.00 54.10 N ATOM 289 CA VAL A 20 -2.531 -18.321 8.993 1.00 3.12 C ATOM 290 C VAL A 20 -2.081 -18.184 10.443 1.00 4.43 C ATOM 291 O VAL A 20 -1.943 -19.177 11.158 1.00 72.13 O ATOM 292 CB VAL A 20 -3.880 -19.063 8.954 1.00 23.10 C ATOM 293 CG1 VAL A 20 -4.608 -18.779 7.649 1.00 10.12 C ATOM 294 CG2 VAL A 20 -3.671 -20.558 9.143 1.00 45.03 C ATOM 0 H VAL A 20 -1.061 -19.781 8.670 1.00 54.10 H new ATOM 0 HA VAL A 20 -2.658 -17.329 8.559 1.00 3.12 H new ATOM 0 HB VAL A 20 -4.499 -18.699 9.774 1.00 23.10 H new ATOM 0 HG11 VAL A 20 -5.559 -19.312 7.639 1.00 10.12 H new ATOM 0 HG12 VAL A 20 -4.791 -17.708 7.560 1.00 10.12 H new ATOM 0 HG13 VAL A 20 -3.996 -19.113 6.811 1.00 10.12 H new ATOM 0 HG21 VAL A 20 -4.635 -21.067 9.113 1.00 45.03 H new ATOM 0 HG22 VAL A 20 -3.034 -20.940 8.345 1.00 45.03 H new ATOM 0 HG23 VAL A 20 -3.195 -20.740 10.106 1.00 45.03 H new ATOM 304 N ILE A 21 -1.853 -16.947 10.872 1.00 50.42 N ATOM 305 CA ILE A 21 -1.420 -16.679 12.238 1.00 60.34 C ATOM 306 C ILE A 21 -2.562 -16.117 13.076 1.00 14.24 C ATOM 307 O ILE A 21 -3.001 -14.986 12.867 1.00 11.32 O ATOM 308 CB ILE A 21 -0.239 -15.691 12.271 1.00 60.34 C ATOM 309 CG1 ILE A 21 1.007 -16.331 11.653 1.00 15.33 C ATOM 310 CG2 ILE A 21 0.040 -15.247 13.699 1.00 53.54 C ATOM 311 CD1 ILE A 21 1.023 -16.285 10.141 1.00 30.05 C ATOM 0 H ILE A 21 -1.961 -16.114 10.293 1.00 50.42 H new ATOM 0 HA ILE A 21 -1.098 -17.631 12.659 1.00 60.34 H new ATOM 0 HB ILE A 21 -0.503 -14.812 11.683 1.00 60.34 H new ATOM 0 HG12 ILE A 21 1.893 -15.823 12.033 1.00 15.33 H new ATOM 0 HG13 ILE A 21 1.071 -17.370 11.978 1.00 15.33 H new ATOM 0 HG21 ILE A 21 0.877 -14.549 13.706 1.00 53.54 H new ATOM 0 HG22 ILE A 21 -0.844 -14.757 14.107 1.00 53.54 H new ATOM 0 HG23 ILE A 21 0.287 -16.116 14.309 1.00 53.54 H new ATOM 0 HD11 ILE A 21 1.934 -16.756 9.772 1.00 30.05 H new ATOM 0 HD12 ILE A 21 0.156 -16.818 9.752 1.00 30.05 H new ATOM 0 HD13 ILE A 21 0.991 -15.248 9.808 1.00 30.05 H new ATOM 323 N ARG A 22 -3.039 -16.913 14.028 1.00 63.33 N ATOM 324 CA ARG A 22 -4.130 -16.495 14.899 1.00 0.32 C ATOM 325 C ARG A 22 -3.594 -15.979 16.232 1.00 53.24 C ATOM 326 O ARG A 22 -2.998 -16.729 17.005 1.00 52.34 O ATOM 327 CB ARG A 22 -5.093 -17.658 15.141 1.00 71.42 C ATOM 328 CG ARG A 22 -6.551 -17.236 15.223 1.00 42.41 C ATOM 329 CD ARG A 22 -6.902 -16.715 16.608 1.00 55.33 C ATOM 330 NE ARG A 22 -8.261 -16.181 16.663 1.00 42.00 N ATOM 331 CZ ARG A 22 -8.703 -15.396 17.639 1.00 21.44 C ATOM 332 NH1 ARG A 22 -7.898 -15.056 18.636 1.00 10.34 N ATOM 333 NH2 ARG A 22 -9.952 -14.950 17.619 1.00 35.45 N ATOM 0 H ARG A 22 -2.686 -17.852 14.215 1.00 63.33 H new ATOM 0 HA ARG A 22 -4.666 -15.685 14.404 1.00 0.32 H new ATOM 0 HB2 ARG A 22 -4.979 -18.386 14.338 1.00 71.42 H new ATOM 0 HB3 ARG A 22 -4.817 -18.160 16.068 1.00 71.42 H new ATOM 0 HG2 ARG A 22 -6.750 -16.463 14.481 1.00 42.41 H new ATOM 0 HG3 ARG A 22 -7.191 -18.084 14.979 1.00 42.41 H new ATOM 0 HD2 ARG A 22 -6.799 -17.520 17.335 1.00 55.33 H new ATOM 0 HD3 ARG A 22 -6.194 -15.936 16.893 1.00 55.33 H new ATOM 0 HE ARG A 22 -8.905 -16.424 15.911 1.00 42.00 H new ATOM 0 HH11 ARG A 22 -6.937 -15.397 18.655 1.00 10.34 H new ATOM 0 HH12 ARG A 22 -8.240 -14.453 19.384 1.00 10.34 H new ATOM 0 HH21 ARG A 22 -10.574 -15.210 16.854 1.00 35.45 H new ATOM 0 HH22 ARG A 22 -10.290 -14.347 18.369 1.00 35.45 H new ATOM 347 N SER A 23 -3.811 -14.694 16.493 1.00 44.43 N ATOM 348 CA SER A 23 -3.346 -14.076 17.729 1.00 20.13 C ATOM 349 C SER A 23 -1.848 -14.298 17.918 1.00 52.53 C ATOM 350 O SER A 23 -1.362 -14.403 19.043 1.00 45.13 O ATOM 351 CB SER A 23 -4.111 -14.643 18.926 1.00 34.34 C ATOM 352 OG SER A 23 -3.834 -13.906 20.105 1.00 70.53 O ATOM 0 H SER A 23 -4.306 -14.061 15.865 1.00 44.43 H new ATOM 0 HA SER A 23 -3.531 -13.004 17.662 1.00 20.13 H new ATOM 0 HB2 SER A 23 -5.181 -14.619 18.722 1.00 34.34 H new ATOM 0 HB3 SER A 23 -3.838 -15.688 19.074 1.00 34.34 H new ATOM 0 HG SER A 23 -2.867 -13.764 20.182 1.00 70.53 H new ATOM 358 N GLY A 24 -1.122 -14.367 16.806 1.00 31.20 N ATOM 359 CA GLY A 24 0.313 -14.576 16.869 1.00 13.10 C ATOM 360 C GLY A 24 0.681 -16.043 16.973 1.00 43.54 C ATOM 361 O GLY A 24 1.816 -16.383 17.306 1.00 64.52 O ATOM 0 H GLY A 24 -1.502 -14.282 15.863 1.00 31.20 H new ATOM 0 HA2 GLY A 24 0.779 -14.150 15.980 1.00 13.10 H new ATOM 0 HA3 GLY A 24 0.718 -14.041 17.728 1.00 13.10 H new ATOM 365 N LYS A 25 -0.280 -16.914 16.688 1.00 35.11 N ATOM 366 CA LYS A 25 -0.053 -18.353 16.751 1.00 42.11 C ATOM 367 C LYS A 25 -0.508 -19.033 15.464 1.00 54.54 C ATOM 368 O LYS A 25 -1.701 -19.077 15.161 1.00 31.43 O ATOM 369 CB LYS A 25 -0.793 -18.955 17.948 1.00 65.34 C ATOM 370 CG LYS A 25 -0.299 -18.442 19.289 1.00 10.31 C ATOM 371 CD LYS A 25 -1.065 -17.206 19.729 1.00 14.41 C ATOM 372 CE LYS A 25 -2.247 -17.569 20.616 1.00 44.40 C ATOM 373 NZ LYS A 25 -1.807 -18.062 21.951 1.00 52.43 N ATOM 0 H LYS A 25 -1.225 -16.648 16.411 1.00 35.11 H new ATOM 0 HA LYS A 25 1.017 -18.522 16.871 1.00 42.11 H new ATOM 0 HB2 LYS A 25 -1.857 -18.736 17.854 1.00 65.34 H new ATOM 0 HB3 LYS A 25 -0.687 -20.040 17.922 1.00 65.34 H new ATOM 0 HG2 LYS A 25 -0.406 -19.224 20.041 1.00 10.31 H new ATOM 0 HG3 LYS A 25 0.763 -18.208 19.221 1.00 10.31 H new ATOM 0 HD2 LYS A 25 -0.396 -16.535 20.268 1.00 14.41 H new ATOM 0 HD3 LYS A 25 -1.420 -16.665 18.852 1.00 14.41 H new ATOM 0 HE2 LYS A 25 -2.887 -16.696 20.744 1.00 44.40 H new ATOM 0 HE3 LYS A 25 -2.847 -18.335 20.126 1.00 44.40 H new ATOM 0 HZ1 LYS A 25 -2.587 -17.962 22.632 1.00 52.43 H new ATOM 0 HZ2 LYS A 25 -1.536 -19.064 21.879 1.00 52.43 H new ATOM 0 HZ3 LYS A 25 -0.991 -17.505 22.275 1.00 52.43 H new ATOM 387 N LYS A 26 0.448 -19.562 14.709 1.00 44.01 N ATOM 388 CA LYS A 26 0.146 -20.242 13.455 1.00 22.32 C ATOM 389 C LYS A 26 -0.680 -21.500 13.704 1.00 12.01 C ATOM 390 O LYS A 26 -0.298 -22.357 14.501 1.00 20.22 O ATOM 391 CB LYS A 26 1.440 -20.606 12.724 1.00 63.13 C ATOM 392 CG LYS A 26 1.212 -21.303 11.394 1.00 72.23 C ATOM 393 CD LYS A 26 2.501 -21.424 10.599 1.00 62.22 C ATOM 394 CE LYS A 26 3.012 -20.062 10.155 1.00 62.11 C ATOM 395 NZ LYS A 26 4.100 -19.562 11.040 1.00 23.43 N ATOM 0 H LYS A 26 1.440 -19.533 14.944 1.00 44.01 H new ATOM 0 HA LYS A 26 -0.437 -19.562 12.833 1.00 22.32 H new ATOM 0 HB2 LYS A 26 2.019 -19.698 12.554 1.00 63.13 H new ATOM 0 HB3 LYS A 26 2.040 -21.252 13.365 1.00 63.13 H new ATOM 0 HG2 LYS A 26 0.797 -22.296 11.569 1.00 72.23 H new ATOM 0 HG3 LYS A 26 0.476 -20.748 10.813 1.00 72.23 H new ATOM 0 HD2 LYS A 26 3.259 -21.918 11.206 1.00 62.22 H new ATOM 0 HD3 LYS A 26 2.333 -22.053 9.725 1.00 62.22 H new ATOM 0 HE2 LYS A 26 3.379 -20.128 9.131 1.00 62.11 H new ATOM 0 HE3 LYS A 26 2.188 -19.348 10.153 1.00 62.11 H new ATOM 0 HZ1 LYS A 26 3.968 -18.545 11.212 1.00 23.43 H new ATOM 0 HZ2 LYS A 26 4.073 -20.073 11.945 1.00 23.43 H new ATOM 0 HZ3 LYS A 26 5.020 -19.718 10.581 1.00 23.43 H new ATOM 409 N ILE A 27 -1.812 -21.604 13.017 1.00 55.03 N ATOM 410 CA ILE A 27 -2.690 -22.758 13.162 1.00 35.40 C ATOM 411 C ILE A 27 -2.181 -23.942 12.347 1.00 74.40 C ATOM 412 O ILE A 27 -1.658 -23.772 11.245 1.00 23.44 O ATOM 413 CB ILE A 27 -4.130 -22.429 12.724 1.00 30.45 C ATOM 414 CG1 ILE A 27 -4.690 -21.277 13.560 1.00 4.45 C ATOM 415 CG2 ILE A 27 -5.016 -23.660 12.849 1.00 22.03 C ATOM 416 CD1 ILE A 27 -4.853 -21.616 15.025 1.00 35.43 C ATOM 0 H ILE A 27 -2.143 -20.903 12.354 1.00 55.03 H new ATOM 0 HA ILE A 27 -2.692 -23.022 14.220 1.00 35.40 H new ATOM 0 HB ILE A 27 -4.114 -22.121 11.679 1.00 30.45 H new ATOM 0 HG12 ILE A 27 -4.028 -20.416 13.466 1.00 4.45 H new ATOM 0 HG13 ILE A 27 -5.657 -20.981 13.154 1.00 4.45 H new ATOM 0 HG21 ILE A 27 -6.030 -23.412 12.536 1.00 22.03 H new ATOM 0 HG22 ILE A 27 -4.625 -24.456 12.215 1.00 22.03 H new ATOM 0 HG23 ILE A 27 -5.028 -23.996 13.886 1.00 22.03 H new ATOM 0 HD11 ILE A 27 -5.254 -20.753 15.556 1.00 35.43 H new ATOM 0 HD12 ILE A 27 -5.538 -22.457 15.130 1.00 35.43 H new ATOM 0 HD13 ILE A 27 -3.884 -21.883 15.447 1.00 35.43 H new ATOM 428 N HIS A 28 -2.340 -25.143 12.895 1.00 71.01 N ATOM 429 CA HIS A 28 -1.899 -26.357 12.217 1.00 3.04 C ATOM 430 C HIS A 28 -3.022 -26.945 11.369 1.00 51.33 C ATOM 431 O HIS A 28 -4.197 -26.856 11.728 1.00 51.34 O ATOM 432 CB HIS A 28 -1.420 -27.390 13.238 1.00 74.54 C ATOM 433 CG HIS A 28 -2.512 -27.906 14.124 1.00 24.33 C ATOM 434 ND1 HIS A 28 -2.864 -27.303 15.313 1.00 51.41 N ATOM 435 CD2 HIS A 28 -3.331 -28.975 13.989 1.00 14.22 C ATOM 436 CE1 HIS A 28 -3.852 -27.978 15.871 1.00 32.44 C ATOM 437 NE2 HIS A 28 -4.155 -28.998 15.088 1.00 41.22 N ATOM 0 H HIS A 28 -2.771 -25.301 13.806 1.00 71.01 H new ATOM 0 HA HIS A 28 -1.070 -26.096 11.559 1.00 3.04 H new ATOM 0 HB2 HIS A 28 -0.966 -28.228 12.709 1.00 74.54 H new ATOM 0 HB3 HIS A 28 -0.642 -26.944 13.857 1.00 74.54 H new ATOM 0 HD2 HIS A 28 -3.336 -29.679 13.170 1.00 14.22 H new ATOM 0 HE1 HIS A 28 -4.331 -27.737 16.808 1.00 32.44 H new ATOM 0 HE2 HIS A 28 -4.882 -29.690 15.270 1.00 41.22 H new ATOM 445 N LEU A 29 -2.654 -27.544 10.242 1.00 60.21 N ATOM 446 CA LEU A 29 -3.631 -28.146 9.341 1.00 21.21 C ATOM 447 C LEU A 29 -3.022 -29.324 8.586 1.00 13.23 C ATOM 448 O LEU A 29 -1.812 -29.546 8.632 1.00 61.34 O ATOM 449 CB LEU A 29 -4.150 -27.104 8.349 1.00 0.45 C ATOM 450 CG LEU A 29 -3.117 -26.109 7.820 1.00 41.54 C ATOM 451 CD1 LEU A 29 -2.041 -26.830 7.023 1.00 3.31 C ATOM 452 CD2 LEU A 29 -3.791 -25.044 6.967 1.00 42.45 C ATOM 0 H LEU A 29 -1.686 -27.626 9.930 1.00 60.21 H new ATOM 0 HA LEU A 29 -4.463 -28.513 9.941 1.00 21.21 H new ATOM 0 HB2 LEU A 29 -4.589 -27.627 7.500 1.00 0.45 H new ATOM 0 HB3 LEU A 29 -4.953 -26.544 8.828 1.00 0.45 H new ATOM 0 HG LEU A 29 -2.643 -25.619 8.671 1.00 41.54 H new ATOM 0 HD11 LEU A 29 -1.315 -26.106 6.654 1.00 3.31 H new ATOM 0 HD12 LEU A 29 -1.538 -27.555 7.663 1.00 3.31 H new ATOM 0 HD13 LEU A 29 -2.498 -27.347 6.179 1.00 3.31 H new ATOM 0 HD21 LEU A 29 -3.041 -24.344 6.599 1.00 42.45 H new ATOM 0 HD22 LEU A 29 -4.291 -25.517 6.122 1.00 42.45 H new ATOM 0 HD23 LEU A 29 -4.524 -24.507 7.568 1.00 42.45 H new ATOM 464 N THR A 30 -3.870 -30.075 7.890 1.00 64.31 N ATOM 465 CA THR A 30 -3.416 -31.229 7.124 1.00 22.31 C ATOM 466 C THR A 30 -3.403 -30.927 5.630 1.00 35.40 C ATOM 467 O THR A 30 -3.699 -29.809 5.210 1.00 32.43 O ATOM 468 CB THR A 30 -4.307 -32.459 7.380 1.00 20.34 C ATOM 469 OG1 THR A 30 -3.676 -33.637 6.865 1.00 74.10 O ATOM 470 CG2 THR A 30 -5.672 -32.283 6.732 1.00 63.33 C ATOM 0 H THR A 30 -4.874 -29.905 7.841 1.00 64.31 H new ATOM 0 HA THR A 30 -2.401 -31.449 7.456 1.00 22.31 H new ATOM 0 HB THR A 30 -4.445 -32.563 8.456 1.00 20.34 H new ATOM 0 HG1 THR A 30 -4.248 -34.415 7.033 1.00 74.10 H new ATOM 0 HG21 THR A 30 -6.283 -33.164 6.926 1.00 63.33 H new ATOM 0 HG22 THR A 30 -6.162 -31.403 7.148 1.00 63.33 H new ATOM 0 HG23 THR A 30 -5.550 -32.156 5.656 1.00 63.33 H new ATOM 478 N GLY A 31 -3.060 -31.933 4.830 1.00 3.44 N ATOM 479 CA GLY A 31 -3.016 -31.754 3.391 1.00 50.21 C ATOM 480 C GLY A 31 -4.337 -31.269 2.827 1.00 44.24 C ATOM 481 O GLY A 31 -4.385 -30.269 2.109 1.00 23.33 O ATOM 0 H GLY A 31 -2.812 -32.868 5.153 1.00 3.44 H new ATOM 0 HA2 GLY A 31 -2.233 -31.038 3.141 1.00 50.21 H new ATOM 0 HA3 GLY A 31 -2.747 -32.699 2.918 1.00 50.21 H new ATOM 485 N LYS A 32 -5.412 -31.979 3.149 1.00 14.20 N ATOM 486 CA LYS A 32 -6.741 -31.616 2.670 1.00 61.44 C ATOM 487 C LYS A 32 -7.115 -30.207 3.118 1.00 73.24 C ATOM 488 O LYS A 32 -7.486 -29.365 2.301 1.00 41.04 O ATOM 489 CB LYS A 32 -7.780 -32.618 3.179 1.00 51.22 C ATOM 490 CG LYS A 32 -7.898 -33.863 2.317 1.00 54.22 C ATOM 491 CD LYS A 32 -6.922 -34.941 2.757 1.00 41.51 C ATOM 492 CE LYS A 32 -7.335 -35.558 4.084 1.00 64.50 C ATOM 493 NZ LYS A 32 -6.436 -36.679 4.477 1.00 34.32 N ATOM 0 H LYS A 32 -5.390 -32.810 3.740 1.00 14.20 H new ATOM 0 HA LYS A 32 -6.726 -31.639 1.580 1.00 61.44 H new ATOM 0 HB2 LYS A 32 -7.520 -32.913 4.195 1.00 51.22 H new ATOM 0 HB3 LYS A 32 -8.752 -32.127 3.229 1.00 51.22 H new ATOM 0 HG2 LYS A 32 -8.916 -34.249 2.371 1.00 54.22 H new ATOM 0 HG3 LYS A 32 -7.710 -33.604 1.275 1.00 54.22 H new ATOM 0 HD2 LYS A 32 -6.868 -35.718 1.994 1.00 41.51 H new ATOM 0 HD3 LYS A 32 -5.923 -34.514 2.848 1.00 41.51 H new ATOM 0 HE2 LYS A 32 -7.322 -34.793 4.860 1.00 64.50 H new ATOM 0 HE3 LYS A 32 -8.360 -35.922 4.012 1.00 64.50 H new ATOM 0 HZ1 LYS A 32 -6.750 -37.073 5.387 1.00 34.32 H new ATOM 0 HZ2 LYS A 32 -6.467 -37.421 3.749 1.00 34.32 H new ATOM 0 HZ3 LYS A 32 -5.462 -36.326 4.570 1.00 34.32 H new ATOM 507 N GLU A 33 -7.014 -29.958 4.420 1.00 72.44 N ATOM 508 CA GLU A 33 -7.342 -28.650 4.974 1.00 30.44 C ATOM 509 C GLU A 33 -6.515 -27.554 4.308 1.00 34.22 C ATOM 510 O GLU A 33 -7.023 -26.473 4.010 1.00 15.13 O ATOM 511 CB GLU A 33 -7.102 -28.638 6.486 1.00 53.05 C ATOM 512 CG GLU A 33 -7.155 -27.249 7.099 1.00 52.21 C ATOM 513 CD GLU A 33 -7.306 -27.282 8.607 1.00 32.53 C ATOM 514 OE1 GLU A 33 -7.396 -28.393 9.171 1.00 71.24 O ATOM 515 OE2 GLU A 33 -7.334 -26.197 9.224 1.00 11.04 O ATOM 0 H GLU A 33 -6.708 -30.644 5.110 1.00 72.44 H new ATOM 0 HA GLU A 33 -8.396 -28.455 4.779 1.00 30.44 H new ATOM 0 HB2 GLU A 33 -7.849 -29.268 6.969 1.00 53.05 H new ATOM 0 HB3 GLU A 33 -6.128 -29.081 6.694 1.00 53.05 H new ATOM 0 HG2 GLU A 33 -6.245 -26.707 6.841 1.00 52.21 H new ATOM 0 HG3 GLU A 33 -7.989 -26.697 6.666 1.00 52.21 H new ATOM 522 N TYR A 34 -5.239 -27.841 4.078 1.00 31.33 N ATOM 523 CA TYR A 34 -4.341 -26.880 3.450 1.00 5.14 C ATOM 524 C TYR A 34 -4.772 -26.587 2.017 1.00 64.14 C ATOM 525 O TYR A 34 -4.632 -25.465 1.531 1.00 50.44 O ATOM 526 CB TYR A 34 -2.905 -27.407 3.466 1.00 44.15 C ATOM 527 CG TYR A 34 -1.925 -26.517 2.734 1.00 73.01 C ATOM 528 CD1 TYR A 34 -1.622 -25.247 3.209 1.00 54.34 C ATOM 529 CD2 TYR A 34 -1.304 -26.946 1.568 1.00 43.12 C ATOM 530 CE1 TYR A 34 -0.729 -24.430 2.543 1.00 1.22 C ATOM 531 CE2 TYR A 34 -0.408 -26.136 0.897 1.00 62.43 C ATOM 532 CZ TYR A 34 -0.124 -24.879 1.388 1.00 22.31 C ATOM 533 OH TYR A 34 0.767 -24.069 0.722 1.00 60.42 O ATOM 0 H TYR A 34 -4.803 -28.732 4.317 1.00 31.33 H new ATOM 0 HA TYR A 34 -4.387 -25.952 4.020 1.00 5.14 H new ATOM 0 HB2 TYR A 34 -2.579 -27.518 4.500 1.00 44.15 H new ATOM 0 HB3 TYR A 34 -2.886 -28.400 3.017 1.00 44.15 H new ATOM 0 HD1 TYR A 34 -2.093 -24.893 4.114 1.00 54.34 H new ATOM 0 HD2 TYR A 34 -1.525 -27.929 1.179 1.00 43.12 H new ATOM 0 HE1 TYR A 34 -0.506 -23.445 2.925 1.00 1.22 H new ATOM 0 HE2 TYR A 34 0.068 -26.486 -0.007 1.00 62.43 H new ATOM 0 HH TYR A 34 1.104 -24.536 -0.071 1.00 60.42 H new ATOM 543 N VAL A 35 -5.297 -27.606 1.344 1.00 54.01 N ATOM 544 CA VAL A 35 -5.751 -27.460 -0.034 1.00 14.51 C ATOM 545 C VAL A 35 -6.956 -26.528 -0.120 1.00 25.43 C ATOM 546 O VAL A 35 -7.048 -25.697 -1.024 1.00 0.35 O ATOM 547 CB VAL A 35 -6.124 -28.821 -0.650 1.00 33.23 C ATOM 548 CG1 VAL A 35 -6.990 -28.629 -1.886 1.00 22.33 C ATOM 549 CG2 VAL A 35 -4.871 -29.615 -0.985 1.00 23.24 C ATOM 0 H VAL A 35 -5.418 -28.542 1.731 1.00 54.01 H new ATOM 0 HA VAL A 35 -4.922 -27.031 -0.596 1.00 14.51 H new ATOM 0 HB VAL A 35 -6.700 -29.386 0.083 1.00 33.23 H new ATOM 0 HG11 VAL A 35 -7.243 -29.602 -2.307 1.00 22.33 H new ATOM 0 HG12 VAL A 35 -7.904 -28.103 -1.611 1.00 22.33 H new ATOM 0 HG13 VAL A 35 -6.443 -28.044 -2.626 1.00 22.33 H new ATOM 0 HG21 VAL A 35 -5.153 -30.574 -1.419 1.00 23.24 H new ATOM 0 HG22 VAL A 35 -4.267 -29.057 -1.700 1.00 23.24 H new ATOM 0 HG23 VAL A 35 -4.294 -29.784 -0.076 1.00 23.24 H new ATOM 559 N LEU A 36 -7.877 -26.673 0.827 1.00 45.14 N ATOM 560 CA LEU A 36 -9.077 -25.844 0.859 1.00 5.02 C ATOM 561 C LEU A 36 -8.754 -24.438 1.353 1.00 4.54 C ATOM 562 O LEU A 36 -9.284 -23.451 0.842 1.00 54.24 O ATOM 563 CB LEU A 36 -10.137 -26.482 1.759 1.00 43.03 C ATOM 564 CG LEU A 36 -11.027 -27.538 1.102 1.00 0.40 C ATOM 565 CD1 LEU A 36 -10.210 -28.761 0.717 1.00 5.04 C ATOM 566 CD2 LEU A 36 -12.167 -27.927 2.032 1.00 53.45 C ATOM 0 H LEU A 36 -7.816 -27.356 1.582 1.00 45.14 H new ATOM 0 HA LEU A 36 -9.467 -25.772 -0.156 1.00 5.02 H new ATOM 0 HB2 LEU A 36 -9.634 -26.939 2.611 1.00 43.03 H new ATOM 0 HB3 LEU A 36 -10.776 -25.691 2.152 1.00 43.03 H new ATOM 0 HG LEU A 36 -11.454 -27.112 0.194 1.00 0.40 H new ATOM 0 HD11 LEU A 36 -10.860 -29.501 0.251 1.00 5.04 H new ATOM 0 HD12 LEU A 36 -9.429 -28.470 0.014 1.00 5.04 H new ATOM 0 HD13 LEU A 36 -9.754 -29.189 1.609 1.00 5.04 H new ATOM 0 HD21 LEU A 36 -12.790 -28.679 1.549 1.00 53.45 H new ATOM 0 HD22 LEU A 36 -11.759 -28.334 2.957 1.00 53.45 H new ATOM 0 HD23 LEU A 36 -12.769 -27.047 2.257 1.00 53.45 H new ATOM 578 N LEU A 37 -7.879 -24.353 2.350 1.00 42.55 N ATOM 579 CA LEU A 37 -7.482 -23.066 2.912 1.00 34.20 C ATOM 580 C LEU A 37 -6.637 -22.275 1.919 1.00 25.23 C ATOM 581 O LEU A 37 -6.961 -21.137 1.582 1.00 30.30 O ATOM 582 CB LEU A 37 -6.703 -23.274 4.212 1.00 60.03 C ATOM 583 CG LEU A 37 -7.514 -23.174 5.504 1.00 10.11 C ATOM 584 CD1 LEU A 37 -7.935 -21.735 5.760 1.00 75.13 C ATOM 585 CD2 LEU A 37 -8.731 -24.085 5.442 1.00 72.01 C ATOM 0 H LEU A 37 -7.431 -25.159 2.785 1.00 42.55 H new ATOM 0 HA LEU A 37 -8.386 -22.496 3.125 1.00 34.20 H new ATOM 0 HB2 LEU A 37 -6.233 -24.257 4.177 1.00 60.03 H new ATOM 0 HB3 LEU A 37 -5.900 -22.538 4.253 1.00 60.03 H new ATOM 0 HG LEU A 37 -6.884 -23.499 6.332 1.00 10.11 H new ATOM 0 HD11 LEU A 37 -8.511 -21.683 6.684 1.00 75.13 H new ATOM 0 HD12 LEU A 37 -7.049 -21.107 5.850 1.00 75.13 H new ATOM 0 HD13 LEU A 37 -8.547 -21.382 4.930 1.00 75.13 H new ATOM 0 HD21 LEU A 37 -9.296 -24.001 6.370 1.00 72.01 H new ATOM 0 HD22 LEU A 37 -9.363 -23.791 4.604 1.00 72.01 H new ATOM 0 HD23 LEU A 37 -8.407 -25.117 5.307 1.00 72.01 H new ATOM 597 N GLU A 38 -5.552 -22.887 1.454 1.00 30.41 N ATOM 598 CA GLU A 38 -4.661 -22.240 0.499 1.00 41.13 C ATOM 599 C GLU A 38 -5.442 -21.705 -0.698 1.00 13.53 C ATOM 600 O GLU A 38 -5.072 -20.692 -1.293 1.00 44.11 O ATOM 601 CB GLU A 38 -3.587 -23.221 0.023 1.00 74.00 C ATOM 602 CG GLU A 38 -4.087 -24.214 -1.013 1.00 24.21 C ATOM 603 CD GLU A 38 -3.918 -23.710 -2.433 1.00 62.41 C ATOM 604 OE1 GLU A 38 -3.563 -22.526 -2.605 1.00 0.43 O ATOM 605 OE2 GLU A 38 -4.141 -24.502 -3.373 1.00 44.01 O ATOM 0 H GLU A 38 -5.269 -23.829 1.723 1.00 30.41 H new ATOM 0 HA GLU A 38 -4.180 -21.401 1.002 1.00 41.13 H new ATOM 0 HB2 GLU A 38 -2.754 -22.658 -0.398 1.00 74.00 H new ATOM 0 HB3 GLU A 38 -3.200 -23.769 0.882 1.00 74.00 H new ATOM 0 HG2 GLU A 38 -3.548 -25.155 -0.899 1.00 24.21 H new ATOM 0 HG3 GLU A 38 -5.140 -24.426 -0.829 1.00 24.21 H new ATOM 612 N LEU A 39 -6.525 -22.391 -1.045 1.00 30.42 N ATOM 613 CA LEU A 39 -7.360 -21.986 -2.171 1.00 22.45 C ATOM 614 C LEU A 39 -8.268 -20.824 -1.784 1.00 53.32 C ATOM 615 O LEU A 39 -8.564 -19.954 -2.604 1.00 40.44 O ATOM 616 CB LEU A 39 -8.202 -23.167 -2.657 1.00 32.01 C ATOM 617 CG LEU A 39 -7.559 -24.057 -3.721 1.00 52.13 C ATOM 618 CD1 LEU A 39 -8.475 -25.220 -4.069 1.00 20.45 C ATOM 619 CD2 LEU A 39 -7.229 -23.246 -4.966 1.00 22.02 C ATOM 0 H LEU A 39 -6.846 -23.231 -0.563 1.00 30.42 H new ATOM 0 HA LEU A 39 -6.705 -21.658 -2.979 1.00 22.45 H new ATOM 0 HB2 LEU A 39 -8.453 -23.787 -1.796 1.00 32.01 H new ATOM 0 HB3 LEU A 39 -9.140 -22.779 -3.055 1.00 32.01 H new ATOM 0 HG LEU A 39 -6.631 -24.460 -3.317 1.00 52.13 H new ATOM 0 HD11 LEU A 39 -8.001 -25.842 -4.828 1.00 20.45 H new ATOM 0 HD12 LEU A 39 -8.662 -25.816 -3.176 1.00 20.45 H new ATOM 0 HD13 LEU A 39 -9.420 -24.836 -4.453 1.00 20.45 H new ATOM 0 HD21 LEU A 39 -6.772 -23.895 -5.713 1.00 22.02 H new ATOM 0 HD22 LEU A 39 -8.144 -22.814 -5.372 1.00 22.02 H new ATOM 0 HD23 LEU A 39 -6.535 -22.447 -4.706 1.00 22.02 H new ATOM 631 N LEU A 40 -8.707 -20.814 -0.530 1.00 43.32 N ATOM 632 CA LEU A 40 -9.580 -19.756 -0.033 1.00 71.25 C ATOM 633 C LEU A 40 -8.837 -18.426 0.040 1.00 32.13 C ATOM 634 O LEU A 40 -9.322 -17.404 -0.446 1.00 54.23 O ATOM 635 CB LEU A 40 -10.127 -20.125 1.347 1.00 63.33 C ATOM 636 CG LEU A 40 -11.345 -21.050 1.361 1.00 4.21 C ATOM 637 CD1 LEU A 40 -11.730 -21.403 2.789 1.00 10.22 C ATOM 638 CD2 LEU A 40 -12.515 -20.402 0.636 1.00 43.35 C ATOM 0 H LEU A 40 -8.473 -21.527 0.161 1.00 43.32 H new ATOM 0 HA LEU A 40 -10.412 -19.648 -0.729 1.00 71.25 H new ATOM 0 HB2 LEU A 40 -9.329 -20.600 1.917 1.00 63.33 H new ATOM 0 HB3 LEU A 40 -10.388 -19.205 1.870 1.00 63.33 H new ATOM 0 HG LEU A 40 -11.085 -21.970 0.838 1.00 4.21 H new ATOM 0 HD11 LEU A 40 -12.598 -22.062 2.779 1.00 10.22 H new ATOM 0 HD12 LEU A 40 -10.896 -21.909 3.276 1.00 10.22 H new ATOM 0 HD13 LEU A 40 -11.972 -20.492 3.336 1.00 10.22 H new ATOM 0 HD21 LEU A 40 -13.373 -21.074 0.656 1.00 43.35 H new ATOM 0 HD22 LEU A 40 -12.776 -19.466 1.130 1.00 43.35 H new ATOM 0 HD23 LEU A 40 -12.236 -20.201 -0.398 1.00 43.35 H new ATOM 650 N LEU A 41 -7.657 -18.447 0.650 1.00 50.32 N ATOM 651 CA LEU A 41 -6.845 -17.243 0.785 1.00 3.44 C ATOM 652 C LEU A 41 -6.320 -16.784 -0.571 1.00 62.24 C ATOM 653 O LEU A 41 -6.428 -15.610 -0.925 1.00 33.35 O ATOM 654 CB LEU A 41 -5.675 -17.497 1.738 1.00 73.10 C ATOM 655 CG LEU A 41 -4.803 -18.712 1.420 1.00 43.20 C ATOM 656 CD1 LEU A 41 -3.540 -18.285 0.687 1.00 32.03 C ATOM 657 CD2 LEU A 41 -4.453 -19.466 2.695 1.00 43.52 C ATOM 0 H LEU A 41 -7.241 -19.284 1.059 1.00 50.32 H new ATOM 0 HA LEU A 41 -7.476 -16.454 1.195 1.00 3.44 H new ATOM 0 HB2 LEU A 41 -5.040 -16.611 1.746 1.00 73.10 H new ATOM 0 HB3 LEU A 41 -6.072 -17.614 2.746 1.00 73.10 H new ATOM 0 HG LEU A 41 -5.368 -19.380 0.770 1.00 43.20 H new ATOM 0 HD11 LEU A 41 -2.932 -19.163 0.469 1.00 32.03 H new ATOM 0 HD12 LEU A 41 -3.810 -17.790 -0.246 1.00 32.03 H new ATOM 0 HD13 LEU A 41 -2.972 -17.596 1.312 1.00 32.03 H new ATOM 0 HD21 LEU A 41 -3.832 -20.328 2.449 1.00 43.52 H new ATOM 0 HD22 LEU A 41 -3.908 -18.806 3.370 1.00 43.52 H new ATOM 0 HD23 LEU A 41 -5.368 -19.805 3.180 1.00 43.52 H new ATOM 669 N GLN A 42 -5.753 -17.719 -1.327 1.00 50.14 N ATOM 670 CA GLN A 42 -5.213 -17.410 -2.646 1.00 61.32 C ATOM 671 C GLN A 42 -6.240 -16.669 -3.495 1.00 73.24 C ATOM 672 O GLN A 42 -5.926 -15.660 -4.127 1.00 32.21 O ATOM 673 CB GLN A 42 -4.778 -18.694 -3.356 1.00 0.15 C ATOM 674 CG GLN A 42 -4.129 -18.451 -4.709 1.00 21.24 C ATOM 675 CD GLN A 42 -3.704 -19.737 -5.391 1.00 1.51 C ATOM 676 OE1 GLN A 42 -4.452 -20.714 -5.420 1.00 21.20 O ATOM 677 NE2 GLN A 42 -2.497 -19.742 -5.945 1.00 52.10 N ATOM 0 H GLN A 42 -5.656 -18.696 -1.049 1.00 50.14 H new ATOM 0 HA GLN A 42 -4.345 -16.764 -2.513 1.00 61.32 H new ATOM 0 HB2 GLN A 42 -4.078 -19.233 -2.718 1.00 0.15 H new ATOM 0 HB3 GLN A 42 -5.647 -19.338 -3.490 1.00 0.15 H new ATOM 0 HG2 GLN A 42 -4.828 -17.917 -5.352 1.00 21.24 H new ATOM 0 HG3 GLN A 42 -3.259 -17.808 -4.580 1.00 21.24 H new ATOM 0 HE21 GLN A 42 -1.910 -18.909 -5.897 1.00 52.10 H new ATOM 0 HE22 GLN A 42 -2.157 -20.579 -6.419 1.00 52.10 H new ATOM 686 N ARG A 43 -7.469 -17.177 -3.506 1.00 44.41 N ATOM 687 CA ARG A 43 -8.542 -16.563 -4.279 1.00 62.42 C ATOM 688 C ARG A 43 -9.503 -15.804 -3.369 1.00 24.34 C ATOM 689 O ARG A 43 -10.678 -15.630 -3.694 1.00 24.31 O ATOM 690 CB ARG A 43 -9.305 -17.630 -5.068 1.00 3.43 C ATOM 691 CG ARG A 43 -8.690 -17.942 -6.422 1.00 42.32 C ATOM 692 CD ARG A 43 -7.238 -18.376 -6.289 1.00 15.54 C ATOM 693 NE ARG A 43 -6.756 -19.051 -7.490 1.00 52.44 N ATOM 694 CZ ARG A 43 -6.453 -18.417 -8.618 1.00 15.10 C ATOM 695 NH1 ARG A 43 -6.582 -17.100 -8.697 1.00 53.31 N ATOM 696 NH2 ARG A 43 -6.020 -19.101 -9.669 1.00 55.03 N ATOM 0 H ARG A 43 -7.746 -18.011 -2.989 1.00 44.41 H new ATOM 0 HA ARG A 43 -8.094 -15.855 -4.976 1.00 62.42 H new ATOM 0 HB2 ARG A 43 -9.347 -18.545 -4.478 1.00 3.43 H new ATOM 0 HB3 ARG A 43 -10.333 -17.297 -5.213 1.00 3.43 H new ATOM 0 HG2 ARG A 43 -9.263 -18.730 -6.910 1.00 42.32 H new ATOM 0 HG3 ARG A 43 -8.750 -17.061 -7.062 1.00 42.32 H new ATOM 0 HD2 ARG A 43 -6.616 -17.504 -6.089 1.00 15.54 H new ATOM 0 HD3 ARG A 43 -7.136 -19.043 -5.433 1.00 15.54 H new ATOM 0 HE ARG A 43 -6.646 -20.065 -7.462 1.00 52.44 H new ATOM 0 HH11 ARG A 43 -6.914 -16.571 -7.891 1.00 53.31 H new ATOM 0 HH12 ARG A 43 -6.349 -16.616 -9.564 1.00 53.31 H new ATOM 0 HH21 ARG A 43 -5.919 -20.114 -9.612 1.00 55.03 H new ATOM 0 HH22 ARG A 43 -5.788 -18.613 -10.534 1.00 55.03 H new ATOM 710 N THR A 44 -8.995 -15.354 -2.225 1.00 72.22 N ATOM 711 CA THR A 44 -9.808 -14.616 -1.267 1.00 5.32 C ATOM 712 C THR A 44 -10.562 -13.479 -1.946 1.00 51.24 C ATOM 713 O THR A 44 -9.988 -12.716 -2.722 1.00 62.02 O ATOM 714 CB THR A 44 -8.946 -14.037 -0.129 1.00 11.35 C ATOM 715 OG1 THR A 44 -9.784 -13.411 0.850 1.00 23.21 O ATOM 716 CG2 THR A 44 -7.945 -13.026 -0.668 1.00 15.33 C ATOM 0 H THR A 44 -8.025 -15.488 -1.940 1.00 72.22 H new ATOM 0 HA THR A 44 -10.524 -15.323 -0.848 1.00 5.32 H new ATOM 0 HB THR A 44 -8.396 -14.857 0.334 1.00 11.35 H new ATOM 0 HG1 THR A 44 -9.229 -13.047 1.571 1.00 23.21 H new ATOM 0 HG21 THR A 44 -7.348 -12.631 0.154 1.00 15.33 H new ATOM 0 HG22 THR A 44 -7.290 -13.512 -1.391 1.00 15.33 H new ATOM 0 HG23 THR A 44 -8.479 -12.209 -1.154 1.00 15.33 H new ATOM 724 N GLY A 45 -11.854 -13.371 -1.649 1.00 44.40 N ATOM 725 CA GLY A 45 -12.666 -12.323 -2.240 1.00 4.11 C ATOM 726 C GLY A 45 -13.594 -12.847 -3.317 1.00 73.11 C ATOM 727 O GLY A 45 -14.572 -12.191 -3.675 1.00 32.54 O ATOM 0 H GLY A 45 -12.352 -13.990 -1.010 1.00 44.40 H new ATOM 0 HA2 GLY A 45 -13.255 -11.841 -1.460 1.00 4.11 H new ATOM 0 HA3 GLY A 45 -12.015 -11.559 -2.666 1.00 4.11 H new ATOM 731 N GLU A 46 -13.287 -14.032 -3.836 1.00 42.44 N ATOM 732 CA GLU A 46 -14.101 -14.641 -4.881 1.00 61.43 C ATOM 733 C GLU A 46 -14.408 -16.099 -4.551 1.00 23.21 C ATOM 734 O GLU A 46 -13.563 -16.817 -4.016 1.00 62.41 O ATOM 735 CB GLU A 46 -13.387 -14.552 -6.232 1.00 32.41 C ATOM 736 CG GLU A 46 -12.017 -15.209 -6.241 1.00 30.24 C ATOM 737 CD GLU A 46 -11.478 -15.416 -7.643 1.00 33.31 C ATOM 738 OE1 GLU A 46 -12.128 -16.137 -8.428 1.00 73.13 O ATOM 739 OE2 GLU A 46 -10.406 -14.857 -7.954 1.00 51.44 O ATOM 0 H GLU A 46 -12.481 -14.588 -3.550 1.00 42.44 H new ATOM 0 HA GLU A 46 -15.042 -14.093 -4.939 1.00 61.43 H new ATOM 0 HB2 GLU A 46 -14.010 -15.020 -6.994 1.00 32.41 H new ATOM 0 HB3 GLU A 46 -13.279 -13.503 -6.508 1.00 32.41 H new ATOM 0 HG2 GLU A 46 -11.319 -14.592 -5.675 1.00 30.24 H new ATOM 0 HG3 GLU A 46 -12.077 -16.172 -5.733 1.00 30.24 H new ATOM 746 N VAL A 47 -15.623 -16.530 -4.873 1.00 15.32 N ATOM 747 CA VAL A 47 -16.043 -17.901 -4.611 1.00 60.32 C ATOM 748 C VAL A 47 -15.573 -18.840 -5.717 1.00 30.03 C ATOM 749 O VAL A 47 -15.722 -18.544 -6.903 1.00 53.10 O ATOM 750 CB VAL A 47 -17.574 -18.005 -4.481 1.00 53.25 C ATOM 751 CG1 VAL A 47 -18.252 -17.532 -5.759 1.00 23.42 C ATOM 752 CG2 VAL A 47 -17.985 -19.431 -4.146 1.00 41.33 C ATOM 0 H VAL A 47 -16.334 -15.949 -5.316 1.00 15.32 H new ATOM 0 HA VAL A 47 -15.585 -18.197 -3.667 1.00 60.32 H new ATOM 0 HB VAL A 47 -17.897 -17.357 -3.666 1.00 53.25 H new ATOM 0 HG11 VAL A 47 -19.333 -17.613 -5.649 1.00 23.42 H new ATOM 0 HG12 VAL A 47 -17.983 -16.493 -5.950 1.00 23.42 H new ATOM 0 HG13 VAL A 47 -17.925 -18.151 -6.595 1.00 23.42 H new ATOM 0 HG21 VAL A 47 -19.070 -19.486 -4.058 1.00 41.33 H new ATOM 0 HG22 VAL A 47 -17.651 -20.101 -4.938 1.00 41.33 H new ATOM 0 HG23 VAL A 47 -17.529 -19.729 -3.202 1.00 41.33 H new ATOM 762 N LEU A 48 -15.005 -19.974 -5.321 1.00 1.43 N ATOM 763 CA LEU A 48 -14.513 -20.958 -6.278 1.00 63.02 C ATOM 764 C LEU A 48 -15.398 -22.200 -6.286 1.00 52.02 C ATOM 765 O LEU A 48 -16.119 -22.484 -5.330 1.00 32.53 O ATOM 766 CB LEU A 48 -13.072 -21.347 -5.944 1.00 64.31 C ATOM 767 CG LEU A 48 -12.299 -20.366 -5.062 1.00 24.31 C ATOM 768 CD1 LEU A 48 -10.937 -20.936 -4.696 1.00 61.22 C ATOM 769 CD2 LEU A 48 -12.146 -19.024 -5.763 1.00 74.42 C ATOM 0 H LEU A 48 -14.874 -20.234 -4.344 1.00 1.43 H new ATOM 0 HA LEU A 48 -14.541 -20.508 -7.271 1.00 63.02 H new ATOM 0 HB2 LEU A 48 -13.085 -22.318 -5.448 1.00 64.31 H new ATOM 0 HB3 LEU A 48 -12.525 -21.473 -6.878 1.00 64.31 H new ATOM 0 HG LEU A 48 -12.864 -20.211 -4.143 1.00 24.31 H new ATOM 0 HD11 LEU A 48 -10.401 -20.224 -4.068 1.00 61.22 H new ATOM 0 HD12 LEU A 48 -11.068 -21.872 -4.153 1.00 61.22 H new ATOM 0 HD13 LEU A 48 -10.364 -21.121 -5.605 1.00 61.22 H new ATOM 0 HD21 LEU A 48 -11.593 -18.339 -5.120 1.00 74.42 H new ATOM 0 HD22 LEU A 48 -11.603 -19.162 -6.698 1.00 74.42 H new ATOM 0 HD23 LEU A 48 -13.132 -18.609 -5.973 1.00 74.42 H new ATOM 781 N PRO A 49 -15.343 -22.960 -7.390 1.00 44.43 N ATOM 782 CA PRO A 49 -16.131 -24.185 -7.548 1.00 71.24 C ATOM 783 C PRO A 49 -15.649 -25.306 -6.634 1.00 73.51 C ATOM 784 O PRO A 49 -14.534 -25.261 -6.115 1.00 63.04 O ATOM 785 CB PRO A 49 -15.912 -24.561 -9.016 1.00 54.11 C ATOM 786 CG PRO A 49 -14.602 -23.948 -9.373 1.00 32.03 C ATOM 787 CD PRO A 49 -14.505 -22.681 -8.569 1.00 53.20 C ATOM 0 HA PRO A 49 -17.178 -24.033 -7.284 1.00 71.24 H new ATOM 0 HB2 PRO A 49 -15.892 -25.643 -9.149 1.00 54.11 H new ATOM 0 HB3 PRO A 49 -16.714 -24.177 -9.647 1.00 54.11 H new ATOM 0 HG2 PRO A 49 -13.779 -24.623 -9.139 1.00 32.03 H new ATOM 0 HG3 PRO A 49 -14.548 -23.738 -10.441 1.00 32.03 H new ATOM 0 HD2 PRO A 49 -13.475 -22.462 -8.287 1.00 53.20 H new ATOM 0 HD3 PRO A 49 -14.872 -21.821 -9.129 1.00 53.20 H new ATOM 795 N ARG A 50 -16.497 -26.312 -6.441 1.00 42.12 N ATOM 796 CA ARG A 50 -16.157 -27.445 -5.589 1.00 0.44 C ATOM 797 C ARG A 50 -15.323 -28.469 -6.352 1.00 72.25 C ATOM 798 O ARG A 50 -14.331 -28.985 -5.838 1.00 33.25 O ATOM 799 CB ARG A 50 -17.428 -28.105 -5.051 1.00 1.44 C ATOM 800 CG ARG A 50 -17.159 -29.280 -4.125 1.00 1.31 C ATOM 801 CD ARG A 50 -18.258 -30.326 -4.219 1.00 34.01 C ATOM 802 NE ARG A 50 -19.589 -29.729 -4.154 1.00 14.32 N ATOM 803 CZ ARG A 50 -20.689 -30.334 -4.590 1.00 3.22 C ATOM 804 NH1 ARG A 50 -20.616 -31.547 -5.119 1.00 62.22 N ATOM 805 NH2 ARG A 50 -21.864 -29.725 -4.496 1.00 71.30 N ATOM 0 H ARG A 50 -17.424 -26.365 -6.863 1.00 42.12 H new ATOM 0 HA ARG A 50 -15.566 -27.073 -4.752 1.00 0.44 H new ATOM 0 HB2 ARG A 50 -18.016 -27.359 -4.516 1.00 1.44 H new ATOM 0 HB3 ARG A 50 -18.033 -28.446 -5.891 1.00 1.44 H new ATOM 0 HG2 ARG A 50 -16.201 -29.733 -4.380 1.00 1.31 H new ATOM 0 HG3 ARG A 50 -17.080 -28.924 -3.098 1.00 1.31 H new ATOM 0 HD2 ARG A 50 -18.154 -30.878 -5.153 1.00 34.01 H new ATOM 0 HD3 ARG A 50 -18.144 -31.046 -3.408 1.00 34.01 H new ATOM 0 HE ARG A 50 -19.679 -28.796 -3.752 1.00 14.32 H new ATOM 0 HH11 ARG A 50 -19.714 -32.018 -5.192 1.00 62.22 H new ATOM 0 HH12 ARG A 50 -21.462 -32.009 -5.453 1.00 62.22 H new ATOM 0 HH21 ARG A 50 -21.924 -28.792 -4.089 1.00 71.30 H new ATOM 0 HH22 ARG A 50 -22.708 -30.190 -4.831 1.00 71.30 H new ATOM 819 N SER A 51 -15.733 -28.759 -7.583 1.00 72.11 N ATOM 820 CA SER A 51 -15.027 -29.725 -8.416 1.00 60.05 C ATOM 821 C SER A 51 -13.538 -29.401 -8.481 1.00 4.33 C ATOM 822 O SER A 51 -12.700 -30.295 -8.606 1.00 31.33 O ATOM 823 CB SER A 51 -15.618 -29.742 -9.827 1.00 52.35 C ATOM 824 OG SER A 51 -15.173 -28.627 -10.580 1.00 41.32 O ATOM 0 H SER A 51 -16.550 -28.339 -8.025 1.00 72.11 H new ATOM 0 HA SER A 51 -15.148 -30.711 -7.967 1.00 60.05 H new ATOM 0 HB2 SER A 51 -15.332 -30.664 -10.333 1.00 52.35 H new ATOM 0 HB3 SER A 51 -16.706 -29.734 -9.769 1.00 52.35 H new ATOM 0 HG SER A 51 -15.563 -28.662 -11.478 1.00 41.32 H new ATOM 830 N LEU A 52 -13.214 -28.115 -8.394 1.00 74.15 N ATOM 831 CA LEU A 52 -11.826 -27.670 -8.443 1.00 21.35 C ATOM 832 C LEU A 52 -11.069 -28.113 -7.194 1.00 41.53 C ATOM 833 O LEU A 52 -9.994 -28.707 -7.286 1.00 52.52 O ATOM 834 CB LEU A 52 -11.762 -26.148 -8.579 1.00 62.13 C ATOM 835 CG LEU A 52 -10.361 -25.538 -8.637 1.00 0.25 C ATOM 836 CD1 LEU A 52 -9.538 -26.192 -9.736 1.00 14.51 C ATOM 837 CD2 LEU A 52 -10.443 -24.034 -8.852 1.00 40.41 C ATOM 0 H LEU A 52 -13.894 -27.362 -8.289 1.00 74.15 H new ATOM 0 HA LEU A 52 -11.354 -28.126 -9.313 1.00 21.35 H new ATOM 0 HB2 LEU A 52 -12.299 -25.861 -9.483 1.00 62.13 H new ATOM 0 HB3 LEU A 52 -12.295 -25.705 -7.737 1.00 62.13 H new ATOM 0 HG LEU A 52 -9.866 -25.722 -7.684 1.00 0.25 H new ATOM 0 HD11 LEU A 52 -8.544 -25.745 -9.762 1.00 14.51 H new ATOM 0 HD12 LEU A 52 -9.450 -27.260 -9.538 1.00 14.51 H new ATOM 0 HD13 LEU A 52 -10.029 -26.041 -10.697 1.00 14.51 H new ATOM 0 HD21 LEU A 52 -9.437 -23.617 -8.891 1.00 40.41 H new ATOM 0 HD22 LEU A 52 -10.958 -23.828 -9.791 1.00 40.41 H new ATOM 0 HD23 LEU A 52 -10.993 -23.578 -8.029 1.00 40.41 H new ATOM 849 N ILE A 53 -11.638 -27.821 -6.029 1.00 44.25 N ATOM 850 CA ILE A 53 -11.018 -28.191 -4.763 1.00 61.53 C ATOM 851 C ILE A 53 -10.649 -29.671 -4.744 1.00 72.00 C ATOM 852 O ILE A 53 -9.493 -30.030 -4.521 1.00 71.33 O ATOM 853 CB ILE A 53 -11.947 -27.890 -3.572 1.00 43.13 C ATOM 854 CG1 ILE A 53 -12.372 -26.420 -3.589 1.00 33.32 C ATOM 855 CG2 ILE A 53 -11.255 -28.232 -2.261 1.00 42.13 C ATOM 856 CD1 ILE A 53 -13.790 -26.196 -3.110 1.00 64.31 C ATOM 0 H ILE A 53 -12.527 -27.330 -5.936 1.00 44.25 H new ATOM 0 HA ILE A 53 -10.113 -27.592 -4.668 1.00 61.53 H new ATOM 0 HB ILE A 53 -12.840 -28.509 -3.661 1.00 43.13 H new ATOM 0 HG12 ILE A 53 -11.690 -25.846 -2.962 1.00 33.32 H new ATOM 0 HG13 ILE A 53 -12.274 -26.033 -4.603 1.00 33.32 H new ATOM 0 HG21 ILE A 53 -11.924 -28.014 -1.429 1.00 42.13 H new ATOM 0 HG22 ILE A 53 -10.997 -29.291 -2.251 1.00 42.13 H new ATOM 0 HG23 ILE A 53 -10.347 -27.637 -2.163 1.00 42.13 H new ATOM 0 HD11 ILE A 53 -14.023 -25.132 -3.149 1.00 64.31 H new ATOM 0 HD12 ILE A 53 -14.481 -26.743 -3.751 1.00 64.31 H new ATOM 0 HD13 ILE A 53 -13.888 -26.552 -2.084 1.00 64.31 H new ATOM 868 N SER A 54 -11.640 -30.525 -4.981 1.00 23.23 N ATOM 869 CA SER A 54 -11.420 -31.967 -4.989 1.00 13.23 C ATOM 870 C SER A 54 -10.296 -32.340 -5.951 1.00 13.14 C ATOM 871 O SER A 54 -9.582 -33.319 -5.738 1.00 24.23 O ATOM 872 CB SER A 54 -12.706 -32.698 -5.381 1.00 0.53 C ATOM 873 OG SER A 54 -12.453 -34.065 -5.654 1.00 5.24 O ATOM 0 H SER A 54 -12.602 -30.244 -5.170 1.00 23.23 H new ATOM 0 HA SER A 54 -11.130 -32.271 -3.983 1.00 13.23 H new ATOM 0 HB2 SER A 54 -13.436 -32.614 -4.576 1.00 0.53 H new ATOM 0 HB3 SER A 54 -13.144 -32.224 -6.259 1.00 0.53 H new ATOM 0 HG SER A 54 -12.101 -34.157 -6.564 1.00 5.24 H new ATOM 879 N SER A 55 -10.147 -31.552 -7.010 1.00 42.53 N ATOM 880 CA SER A 55 -9.113 -31.800 -8.008 1.00 61.01 C ATOM 881 C SER A 55 -7.732 -31.454 -7.458 1.00 35.53 C ATOM 882 O SER A 55 -6.726 -32.040 -7.860 1.00 73.10 O ATOM 883 CB SER A 55 -9.389 -30.985 -9.273 1.00 43.10 C ATOM 884 OG SER A 55 -8.540 -31.387 -10.334 1.00 72.42 O ATOM 0 H SER A 55 -10.729 -30.736 -7.200 1.00 42.53 H new ATOM 0 HA SER A 55 -9.131 -32.861 -8.257 1.00 61.01 H new ATOM 0 HB2 SER A 55 -10.431 -31.109 -9.569 1.00 43.10 H new ATOM 0 HB3 SER A 55 -9.241 -29.925 -9.066 1.00 43.10 H new ATOM 0 HG SER A 55 -8.737 -30.852 -11.131 1.00 72.42 H new ATOM 890 N LEU A 56 -7.693 -30.499 -6.535 1.00 63.43 N ATOM 891 CA LEU A 56 -6.436 -30.074 -5.928 1.00 72.20 C ATOM 892 C LEU A 56 -6.000 -31.049 -4.839 1.00 60.54 C ATOM 893 O LEU A 56 -4.931 -30.899 -4.248 1.00 44.14 O ATOM 894 CB LEU A 56 -6.580 -28.669 -5.342 1.00 14.34 C ATOM 895 CG LEU A 56 -5.875 -27.547 -6.105 1.00 72.31 C ATOM 896 CD1 LEU A 56 -6.890 -26.668 -6.820 1.00 24.21 C ATOM 897 CD2 LEU A 56 -5.018 -26.716 -5.161 1.00 71.53 C ATOM 0 H LEU A 56 -8.516 -30.005 -6.191 1.00 63.43 H new ATOM 0 HA LEU A 56 -5.672 -30.061 -6.705 1.00 72.20 H new ATOM 0 HB2 LEU A 56 -7.642 -28.429 -5.282 1.00 14.34 H new ATOM 0 HB3 LEU A 56 -6.198 -28.682 -4.321 1.00 14.34 H new ATOM 0 HG LEU A 56 -5.223 -27.997 -6.854 1.00 72.31 H new ATOM 0 HD11 LEU A 56 -6.370 -25.875 -7.358 1.00 24.21 H new ATOM 0 HD12 LEU A 56 -7.460 -27.271 -7.526 1.00 24.21 H new ATOM 0 HD13 LEU A 56 -7.568 -26.227 -6.089 1.00 24.21 H new ATOM 0 HD21 LEU A 56 -4.524 -25.922 -5.722 1.00 71.53 H new ATOM 0 HD22 LEU A 56 -5.649 -26.276 -4.389 1.00 71.53 H new ATOM 0 HD23 LEU A 56 -4.266 -27.354 -4.696 1.00 71.53 H new ATOM 909 N VAL A 57 -6.834 -32.051 -4.581 1.00 34.44 N ATOM 910 CA VAL A 57 -6.534 -33.054 -3.566 1.00 3.14 C ATOM 911 C VAL A 57 -6.683 -34.464 -4.125 1.00 62.30 C ATOM 912 O VAL A 57 -5.693 -35.134 -4.419 1.00 24.13 O ATOM 913 CB VAL A 57 -7.450 -32.901 -2.337 1.00 71.31 C ATOM 914 CG1 VAL A 57 -6.711 -32.209 -1.202 1.00 21.40 C ATOM 915 CG2 VAL A 57 -8.712 -32.137 -2.706 1.00 55.13 C ATOM 0 H VAL A 57 -7.723 -32.190 -5.061 1.00 34.44 H new ATOM 0 HA VAL A 57 -5.500 -32.895 -3.261 1.00 3.14 H new ATOM 0 HB VAL A 57 -7.740 -33.895 -1.996 1.00 71.31 H new ATOM 0 HG11 VAL A 57 -7.374 -32.110 -0.343 1.00 21.40 H new ATOM 0 HG12 VAL A 57 -5.839 -32.800 -0.921 1.00 21.40 H new ATOM 0 HG13 VAL A 57 -6.389 -31.220 -1.527 1.00 21.40 H new ATOM 0 HG21 VAL A 57 -9.348 -32.038 -1.826 1.00 55.13 H new ATOM 0 HG22 VAL A 57 -8.443 -31.146 -3.073 1.00 55.13 H new ATOM 0 HG23 VAL A 57 -9.251 -32.678 -3.484 1.00 55.13 H new ATOM 925 N TRP A 58 -7.926 -34.909 -4.270 1.00 42.52 N ATOM 926 CA TRP A 58 -8.205 -36.240 -4.795 1.00 62.35 C ATOM 927 C TRP A 58 -8.109 -36.257 -6.317 1.00 44.50 C ATOM 928 O TRP A 58 -7.138 -36.759 -6.881 1.00 61.22 O ATOM 929 CB TRP A 58 -9.594 -36.704 -4.355 1.00 12.11 C ATOM 930 CG TRP A 58 -9.979 -38.041 -4.913 1.00 0.31 C ATOM 931 CD1 TRP A 58 -9.336 -39.229 -4.711 1.00 15.21 C ATOM 932 CD2 TRP A 58 -11.093 -38.325 -5.766 1.00 12.21 C ATOM 933 NE1 TRP A 58 -9.984 -40.234 -5.387 1.00 73.40 N ATOM 934 CE2 TRP A 58 -11.066 -39.706 -6.041 1.00 65.02 C ATOM 935 CE3 TRP A 58 -12.113 -37.548 -6.322 1.00 44.41 C ATOM 936 CZ2 TRP A 58 -12.017 -40.323 -6.849 1.00 12.11 C ATOM 937 CZ3 TRP A 58 -13.056 -38.161 -7.124 1.00 32.33 C ATOM 938 CH2 TRP A 58 -13.004 -39.538 -7.380 1.00 40.24 C ATOM 0 H TRP A 58 -8.757 -34.367 -4.031 1.00 42.52 H new ATOM 0 HA TRP A 58 -7.457 -36.924 -4.395 1.00 62.35 H new ATOM 0 HB2 TRP A 58 -9.626 -36.750 -3.266 1.00 12.11 H new ATOM 0 HB3 TRP A 58 -10.331 -35.963 -4.664 1.00 12.11 H new ATOM 0 HD1 TRP A 58 -8.449 -39.359 -4.109 1.00 15.21 H new ATOM 0 HE1 TRP A 58 -9.705 -41.215 -5.400 1.00 73.40 H new ATOM 0 HE3 TRP A 58 -12.163 -36.487 -6.128 1.00 44.41 H new ATOM 0 HZ2 TRP A 58 -11.977 -41.383 -7.050 1.00 12.11 H new ATOM 0 HZ3 TRP A 58 -13.847 -37.569 -7.561 1.00 32.33 H new ATOM 0 HH2 TRP A 58 -13.758 -39.988 -8.009 1.00 40.24 H new ATOM 949 N ASN A 59 -9.122 -35.703 -6.976 1.00 23.13 N ATOM 950 CA ASN A 59 -9.151 -35.655 -8.433 1.00 45.30 C ATOM 951 C ASN A 59 -10.387 -34.911 -8.928 1.00 41.43 C ATOM 952 O ASN A 59 -11.269 -34.562 -8.144 1.00 51.35 O ATOM 953 CB ASN A 59 -9.128 -37.071 -9.012 1.00 11.04 C ATOM 954 CG ASN A 59 -8.368 -37.148 -10.322 1.00 32.33 C ATOM 955 OD1 ASN A 59 -8.965 -37.163 -11.398 1.00 71.34 O ATOM 956 ND2 ASN A 59 -7.044 -37.198 -10.235 1.00 70.34 N ATOM 0 H ASN A 59 -9.933 -35.281 -6.524 1.00 23.13 H new ATOM 0 HA ASN A 59 -8.265 -35.117 -8.771 1.00 45.30 H new ATOM 0 HB2 ASN A 59 -8.672 -37.748 -8.290 1.00 11.04 H new ATOM 0 HB3 ASN A 59 -10.151 -37.413 -9.168 1.00 11.04 H new ATOM 0 HD21 ASN A 59 -6.479 -37.251 -11.082 1.00 70.34 H new ATOM 0 HD22 ASN A 59 -6.592 -37.183 -9.321 1.00 70.34 H new ATOM 963 N MET A 60 -10.443 -34.672 -10.234 1.00 53.35 N ATOM 964 CA MET A 60 -11.573 -33.971 -10.835 1.00 5.34 C ATOM 965 C MET A 60 -12.516 -34.951 -11.524 1.00 54.54 C ATOM 966 O MET A 60 -12.086 -35.980 -12.043 1.00 35.02 O ATOM 967 CB MET A 60 -11.078 -32.928 -11.839 1.00 64.31 C ATOM 968 CG MET A 60 -10.308 -33.526 -13.006 1.00 2.03 C ATOM 969 SD MET A 60 -9.385 -32.288 -13.936 1.00 52.45 S ATOM 970 CE MET A 60 -10.584 -31.844 -15.191 1.00 34.02 C ATOM 0 H MET A 60 -9.720 -34.953 -10.896 1.00 53.35 H new ATOM 0 HA MET A 60 -12.121 -33.466 -10.039 1.00 5.34 H new ATOM 0 HB2 MET A 60 -11.933 -32.372 -12.225 1.00 64.31 H new ATOM 0 HB3 MET A 60 -10.440 -32.212 -11.322 1.00 64.31 H new ATOM 0 HG2 MET A 60 -9.618 -34.282 -12.632 1.00 2.03 H new ATOM 0 HG3 MET A 60 -11.004 -34.032 -13.674 1.00 2.03 H new ATOM 0 HE1 MET A 60 -10.159 -31.084 -15.847 1.00 34.02 H new ATOM 0 HE2 MET A 60 -10.841 -32.727 -15.777 1.00 34.02 H new ATOM 0 HE3 MET A 60 -11.482 -31.451 -14.714 1.00 34.02 H new ATOM 980 N ASN A 61 -13.804 -34.623 -11.526 1.00 55.11 N ATOM 981 CA ASN A 61 -14.809 -35.475 -12.152 1.00 31.34 C ATOM 982 C ASN A 61 -16.146 -34.749 -12.261 1.00 75.33 C ATOM 983 O ASN A 61 -16.337 -33.685 -11.673 1.00 13.30 O ATOM 984 CB ASN A 61 -14.982 -36.768 -11.351 1.00 4.41 C ATOM 985 CG ASN A 61 -15.425 -37.930 -12.218 1.00 20.10 C ATOM 986 OD1 ASN A 61 -16.599 -38.301 -12.225 1.00 62.32 O ATOM 987 ND2 ASN A 61 -14.485 -38.511 -12.954 1.00 61.03 N ATOM 0 H ASN A 61 -14.176 -33.774 -11.101 1.00 55.11 H new ATOM 0 HA ASN A 61 -14.466 -35.721 -13.157 1.00 31.34 H new ATOM 0 HB2 ASN A 61 -14.040 -37.020 -10.865 1.00 4.41 H new ATOM 0 HB3 ASN A 61 -15.716 -36.607 -10.561 1.00 4.41 H new ATOM 0 HD21 ASN A 61 -14.723 -39.298 -13.557 1.00 61.03 H new ATOM 0 HD22 ASN A 61 -13.524 -38.170 -12.917 1.00 61.03 H new ATOM 994 N PHE A 62 -17.070 -35.333 -13.018 1.00 1.11 N ATOM 995 CA PHE A 62 -18.390 -34.742 -13.205 1.00 61.14 C ATOM 996 C PHE A 62 -19.264 -34.962 -11.974 1.00 40.21 C ATOM 997 O PHE A 62 -20.204 -34.207 -11.724 1.00 73.44 O ATOM 998 CB PHE A 62 -19.069 -35.339 -14.440 1.00 23.22 C ATOM 999 CG PHE A 62 -20.325 -34.620 -14.840 1.00 42.42 C ATOM 1000 CD1 PHE A 62 -20.324 -33.246 -15.021 1.00 13.11 C ATOM 1001 CD2 PHE A 62 -21.506 -35.317 -15.036 1.00 41.13 C ATOM 1002 CE1 PHE A 62 -21.479 -32.581 -15.388 1.00 71.35 C ATOM 1003 CE2 PHE A 62 -22.664 -34.658 -15.404 1.00 42.24 C ATOM 1004 CZ PHE A 62 -22.650 -33.288 -15.582 1.00 21.33 C ATOM 0 H PHE A 62 -16.929 -36.214 -13.511 1.00 1.11 H new ATOM 0 HA PHE A 62 -18.263 -33.669 -13.351 1.00 61.14 H new ATOM 0 HB2 PHE A 62 -18.368 -35.321 -15.275 1.00 23.22 H new ATOM 0 HB3 PHE A 62 -19.305 -36.385 -14.245 1.00 23.22 H new ATOM 0 HD1 PHE A 62 -19.411 -32.689 -14.874 1.00 13.11 H new ATOM 0 HD2 PHE A 62 -21.522 -36.388 -14.900 1.00 41.13 H new ATOM 0 HE1 PHE A 62 -21.466 -31.510 -15.523 1.00 71.35 H new ATOM 0 HE2 PHE A 62 -23.578 -35.213 -15.552 1.00 42.24 H new ATOM 0 HZ PHE A 62 -23.553 -32.771 -15.872 1.00 21.33 H new ATOM 1014 N ASP A 63 -18.947 -36.000 -11.209 1.00 20.41 N ATOM 1015 CA ASP A 63 -19.702 -36.320 -10.003 1.00 72.51 C ATOM 1016 C ASP A 63 -19.044 -35.708 -8.771 1.00 1.30 C ATOM 1017 O ASP A 63 -18.020 -35.032 -8.873 1.00 61.32 O ATOM 1018 CB ASP A 63 -19.817 -37.836 -9.835 1.00 23.32 C ATOM 1019 CG ASP A 63 -20.948 -38.426 -10.654 1.00 61.00 C ATOM 1020 OD1 ASP A 63 -21.734 -37.645 -11.230 1.00 11.53 O ATOM 1021 OD2 ASP A 63 -21.046 -39.669 -10.720 1.00 55.14 O ATOM 0 H ASP A 63 -18.172 -36.635 -11.402 1.00 20.41 H new ATOM 0 HA ASP A 63 -20.701 -35.897 -10.107 1.00 72.51 H new ATOM 0 HB2 ASP A 63 -18.877 -38.303 -10.129 1.00 23.32 H new ATOM 0 HB3 ASP A 63 -19.974 -38.071 -8.782 1.00 23.32 H new ATOM 1026 N SER A 64 -19.640 -35.947 -7.607 1.00 63.31 N ATOM 1027 CA SER A 64 -19.114 -35.415 -6.355 1.00 51.15 C ATOM 1028 C SER A 64 -18.541 -36.532 -5.488 1.00 54.30 C ATOM 1029 O SER A 64 -18.782 -37.713 -5.739 1.00 11.24 O ATOM 1030 CB SER A 64 -20.212 -34.672 -5.591 1.00 71.45 C ATOM 1031 OG SER A 64 -21.092 -34.007 -6.481 1.00 71.52 O ATOM 0 H SER A 64 -20.487 -36.506 -7.505 1.00 63.31 H new ATOM 0 HA SER A 64 -18.312 -34.717 -6.594 1.00 51.15 H new ATOM 0 HB2 SER A 64 -20.774 -35.377 -4.978 1.00 71.45 H new ATOM 0 HB3 SER A 64 -19.761 -33.948 -4.912 1.00 71.45 H new ATOM 0 HG SER A 64 -21.986 -33.960 -6.083 1.00 71.52 H new ATOM 1037 N ASP A 65 -17.782 -36.149 -4.467 1.00 53.13 N ATOM 1038 CA ASP A 65 -17.175 -37.117 -3.561 1.00 11.31 C ATOM 1039 C ASP A 65 -17.665 -36.905 -2.132 1.00 13.31 C ATOM 1040 O ASP A 65 -16.988 -36.276 -1.318 1.00 11.10 O ATOM 1041 CB ASP A 65 -15.650 -37.008 -3.612 1.00 34.14 C ATOM 1042 CG ASP A 65 -14.963 -38.254 -3.088 1.00 75.23 C ATOM 1043 OD1 ASP A 65 -14.912 -38.430 -1.853 1.00 14.53 O ATOM 1044 OD2 ASP A 65 -14.478 -39.055 -3.914 1.00 42.44 O ATOM 0 H ASP A 65 -17.573 -35.175 -4.246 1.00 53.13 H new ATOM 0 HA ASP A 65 -17.471 -38.115 -3.883 1.00 11.31 H new ATOM 0 HB2 ASP A 65 -15.336 -36.828 -4.640 1.00 34.14 H new ATOM 0 HB3 ASP A 65 -15.330 -36.146 -3.026 1.00 34.14 H new ATOM 1049 N THR A 66 -18.848 -37.433 -1.833 1.00 12.11 N ATOM 1050 CA THR A 66 -19.431 -37.300 -0.504 1.00 5.15 C ATOM 1051 C THR A 66 -19.233 -35.891 0.045 1.00 61.41 C ATOM 1052 O THR A 66 -19.053 -35.703 1.247 1.00 32.12 O ATOM 1053 CB THR A 66 -18.818 -38.313 0.482 1.00 11.00 C ATOM 1054 OG1 THR A 66 -19.517 -38.265 1.731 1.00 23.11 O ATOM 1055 CG2 THR A 66 -17.342 -38.022 0.709 1.00 32.52 C ATOM 0 H THR A 66 -19.421 -37.957 -2.494 1.00 12.11 H new ATOM 0 HA THR A 66 -20.497 -37.501 -0.605 1.00 5.15 H new ATOM 0 HB THR A 66 -18.913 -39.310 0.051 1.00 11.00 H new ATOM 0 HG1 THR A 66 -19.538 -37.342 2.059 1.00 23.11 H new ATOM 0 HG21 THR A 66 -16.931 -38.750 1.408 1.00 32.52 H new ATOM 0 HG22 THR A 66 -16.808 -38.088 -0.239 1.00 32.52 H new ATOM 0 HG23 THR A 66 -17.228 -37.019 1.120 1.00 32.52 H new ATOM 1063 N ASN A 67 -19.268 -34.905 -0.845 1.00 10.43 N ATOM 1064 CA ASN A 67 -19.093 -33.512 -0.449 1.00 3.02 C ATOM 1065 C ASN A 67 -17.943 -33.369 0.545 1.00 75.45 C ATOM 1066 O ASN A 67 -18.024 -32.594 1.497 1.00 54.40 O ATOM 1067 CB ASN A 67 -20.384 -32.969 0.167 1.00 41.44 C ATOM 1068 CG ASN A 67 -20.742 -31.593 -0.362 1.00 20.00 C ATOM 1069 OD1 ASN A 67 -20.993 -30.666 0.408 1.00 34.01 O ATOM 1070 ND2 ASN A 67 -20.767 -31.455 -1.682 1.00 41.25 N ATOM 0 H ASN A 67 -19.416 -35.044 -1.845 1.00 10.43 H new ATOM 0 HA ASN A 67 -18.853 -32.934 -1.342 1.00 3.02 H new ATOM 0 HB2 ASN A 67 -21.201 -33.659 -0.041 1.00 41.44 H new ATOM 0 HB3 ASN A 67 -20.275 -32.922 1.250 1.00 41.44 H new ATOM 0 HD21 ASN A 67 -21.001 -30.553 -2.096 1.00 41.25 H new ATOM 0 HD22 ASN A 67 -20.552 -32.251 -2.282 1.00 41.25 H new ATOM 1077 N VAL A 68 -16.873 -34.123 0.315 1.00 70.31 N ATOM 1078 CA VAL A 68 -15.706 -34.080 1.188 1.00 71.21 C ATOM 1079 C VAL A 68 -15.240 -32.646 1.411 1.00 24.14 C ATOM 1080 O VAL A 68 -14.652 -32.328 2.446 1.00 71.03 O ATOM 1081 CB VAL A 68 -14.540 -34.903 0.608 1.00 74.03 C ATOM 1082 CG1 VAL A 68 -14.182 -34.412 -0.787 1.00 1.14 C ATOM 1083 CG2 VAL A 68 -13.333 -34.840 1.531 1.00 70.11 C ATOM 0 H VAL A 68 -16.790 -34.771 -0.468 1.00 70.31 H new ATOM 0 HA VAL A 68 -16.008 -34.514 2.141 1.00 71.21 H new ATOM 0 HB VAL A 68 -14.855 -35.944 0.531 1.00 74.03 H new ATOM 0 HG11 VAL A 68 -13.356 -35.005 -1.181 1.00 1.14 H new ATOM 0 HG12 VAL A 68 -15.047 -34.515 -1.442 1.00 1.14 H new ATOM 0 HG13 VAL A 68 -13.885 -33.364 -0.739 1.00 1.14 H new ATOM 0 HG21 VAL A 68 -12.519 -35.427 1.106 1.00 70.11 H new ATOM 0 HG22 VAL A 68 -13.014 -33.804 1.642 1.00 70.11 H new ATOM 0 HG23 VAL A 68 -13.600 -35.244 2.507 1.00 70.11 H new ATOM 1093 N ILE A 69 -15.506 -31.784 0.436 1.00 63.54 N ATOM 1094 CA ILE A 69 -15.114 -30.383 0.527 1.00 75.33 C ATOM 1095 C ILE A 69 -15.825 -29.688 1.684 1.00 64.45 C ATOM 1096 O ILE A 69 -15.183 -29.132 2.575 1.00 20.41 O ATOM 1097 CB ILE A 69 -15.423 -29.627 -0.779 1.00 3.31 C ATOM 1098 CG1 ILE A 69 -14.804 -30.355 -1.974 1.00 41.40 C ATOM 1099 CG2 ILE A 69 -14.907 -28.198 -0.697 1.00 52.32 C ATOM 1100 CD1 ILE A 69 -13.323 -30.621 -1.819 1.00 10.23 C ATOM 0 H ILE A 69 -15.991 -32.031 -0.426 1.00 63.54 H new ATOM 0 HA ILE A 69 -14.038 -30.366 0.702 1.00 75.33 H new ATOM 0 HB ILE A 69 -16.504 -29.596 -0.917 1.00 3.31 H new ATOM 0 HG12 ILE A 69 -15.322 -31.303 -2.119 1.00 41.40 H new ATOM 0 HG13 ILE A 69 -14.966 -29.762 -2.874 1.00 41.40 H new ATOM 0 HG21 ILE A 69 -15.132 -27.676 -1.627 1.00 52.32 H new ATOM 0 HG22 ILE A 69 -15.390 -27.684 0.134 1.00 52.32 H new ATOM 0 HG23 ILE A 69 -13.829 -28.209 -0.539 1.00 52.32 H new ATOM 0 HD11 ILE A 69 -12.952 -31.140 -2.703 1.00 10.23 H new ATOM 0 HD12 ILE A 69 -12.794 -29.675 -1.704 1.00 10.23 H new ATOM 0 HD13 ILE A 69 -13.155 -31.240 -0.938 1.00 10.23 H new ATOM 1112 N ASP A 70 -17.152 -29.726 1.663 1.00 13.34 N ATOM 1113 CA ASP A 70 -17.951 -29.102 2.712 1.00 23.13 C ATOM 1114 C ASP A 70 -17.614 -29.696 4.077 1.00 53.33 C ATOM 1115 O ASP A 70 -17.648 -29.002 5.093 1.00 52.51 O ATOM 1116 CB ASP A 70 -19.442 -29.277 2.420 1.00 42.21 C ATOM 1117 CG ASP A 70 -20.317 -28.521 3.401 1.00 64.41 C ATOM 1118 OD1 ASP A 70 -20.117 -27.298 3.553 1.00 73.22 O ATOM 1119 OD2 ASP A 70 -21.200 -29.154 4.017 1.00 10.54 O ATOM 0 H ASP A 70 -17.698 -30.182 0.932 1.00 13.34 H new ATOM 0 HA ASP A 70 -17.715 -28.038 2.730 1.00 23.13 H new ATOM 0 HB2 ASP A 70 -19.654 -28.932 1.408 1.00 42.21 H new ATOM 0 HB3 ASP A 70 -19.694 -30.337 2.455 1.00 42.21 H new ATOM 1124 N VAL A 71 -17.291 -30.985 4.092 1.00 2.11 N ATOM 1125 CA VAL A 71 -16.948 -31.672 5.331 1.00 33.44 C ATOM 1126 C VAL A 71 -15.558 -31.275 5.814 1.00 64.42 C ATOM 1127 O VAL A 71 -15.295 -31.233 7.015 1.00 20.13 O ATOM 1128 CB VAL A 71 -17.002 -33.202 5.158 1.00 13.12 C ATOM 1129 CG1 VAL A 71 -16.622 -33.900 6.455 1.00 34.10 C ATOM 1130 CG2 VAL A 71 -18.384 -33.637 4.694 1.00 52.40 C ATOM 0 H VAL A 71 -17.260 -31.574 3.260 1.00 2.11 H new ATOM 0 HA VAL A 71 -17.687 -31.371 6.074 1.00 33.44 H new ATOM 0 HB VAL A 71 -16.280 -33.489 4.394 1.00 13.12 H new ATOM 0 HG11 VAL A 71 -16.666 -34.980 6.313 1.00 34.10 H new ATOM 0 HG12 VAL A 71 -15.610 -33.612 6.740 1.00 34.10 H new ATOM 0 HG13 VAL A 71 -17.317 -33.609 7.242 1.00 34.10 H new ATOM 0 HG21 VAL A 71 -18.404 -34.721 4.577 1.00 52.40 H new ATOM 0 HG22 VAL A 71 -19.127 -33.338 5.433 1.00 52.40 H new ATOM 0 HG23 VAL A 71 -18.612 -33.165 3.739 1.00 52.40 H new ATOM 1140 N ALA A 72 -14.670 -30.985 4.868 1.00 0.34 N ATOM 1141 CA ALA A 72 -13.306 -30.588 5.197 1.00 73.31 C ATOM 1142 C ALA A 72 -13.280 -29.226 5.882 1.00 34.54 C ATOM 1143 O ALA A 72 -12.483 -28.992 6.790 1.00 24.23 O ATOM 1144 CB ALA A 72 -12.446 -30.566 3.942 1.00 74.02 C ATOM 0 H ALA A 72 -14.871 -31.018 3.868 1.00 0.34 H new ATOM 0 HA ALA A 72 -12.898 -31.322 5.892 1.00 73.31 H new ATOM 0 HB1 ALA A 72 -11.430 -30.268 4.202 1.00 74.02 H new ATOM 0 HB2 ALA A 72 -12.429 -31.560 3.495 1.00 74.02 H new ATOM 0 HB3 ALA A 72 -12.861 -29.854 3.229 1.00 74.02 H new ATOM 1150 N VAL A 73 -14.158 -28.330 5.442 1.00 61.43 N ATOM 1151 CA VAL A 73 -14.236 -26.991 6.013 1.00 22.43 C ATOM 1152 C VAL A 73 -14.952 -27.009 7.359 1.00 73.11 C ATOM 1153 O VAL A 73 -14.584 -26.280 8.280 1.00 44.34 O ATOM 1154 CB VAL A 73 -14.966 -26.019 5.068 1.00 72.20 C ATOM 1155 CG1 VAL A 73 -14.862 -24.592 5.585 1.00 73.42 C ATOM 1156 CG2 VAL A 73 -14.406 -26.126 3.658 1.00 60.33 C ATOM 0 H VAL A 73 -14.825 -28.508 4.691 1.00 61.43 H new ATOM 0 HA VAL A 73 -13.211 -26.647 6.154 1.00 22.43 H new ATOM 0 HB VAL A 73 -16.021 -26.293 5.037 1.00 72.20 H new ATOM 0 HG11 VAL A 73 -15.384 -23.919 4.904 1.00 73.42 H new ATOM 0 HG12 VAL A 73 -15.315 -24.530 6.575 1.00 73.42 H new ATOM 0 HG13 VAL A 73 -13.813 -24.303 5.647 1.00 73.42 H new ATOM 0 HG21 VAL A 73 -14.933 -25.432 3.003 1.00 60.33 H new ATOM 0 HG22 VAL A 73 -13.344 -25.879 3.668 1.00 60.33 H new ATOM 0 HG23 VAL A 73 -14.538 -27.144 3.290 1.00 60.33 H new ATOM 1166 N ARG A 74 -15.978 -27.848 7.466 1.00 41.51 N ATOM 1167 CA ARG A 74 -16.747 -27.960 8.699 1.00 32.03 C ATOM 1168 C ARG A 74 -15.965 -28.729 9.760 1.00 44.30 C ATOM 1169 O ARG A 74 -16.013 -28.396 10.944 1.00 14.12 O ATOM 1170 CB ARG A 74 -18.082 -28.657 8.431 1.00 55.42 C ATOM 1171 CG ARG A 74 -19.056 -27.816 7.621 1.00 42.03 C ATOM 1172 CD ARG A 74 -19.685 -26.721 8.468 1.00 50.02 C ATOM 1173 NE ARG A 74 -20.721 -25.993 7.740 1.00 44.33 N ATOM 1174 CZ ARG A 74 -21.899 -26.515 7.419 1.00 30.11 C ATOM 1175 NH1 ARG A 74 -22.190 -27.763 7.761 1.00 41.31 N ATOM 1176 NH2 ARG A 74 -22.790 -25.789 6.756 1.00 64.05 N ATOM 0 H ARG A 74 -16.295 -28.459 6.714 1.00 41.51 H new ATOM 0 HA ARG A 74 -16.938 -26.953 9.071 1.00 32.03 H new ATOM 0 HB2 ARG A 74 -17.895 -29.591 7.902 1.00 55.42 H new ATOM 0 HB3 ARG A 74 -18.544 -28.917 9.383 1.00 55.42 H new ATOM 0 HG2 ARG A 74 -18.535 -27.369 6.774 1.00 42.03 H new ATOM 0 HG3 ARG A 74 -19.838 -28.456 7.212 1.00 42.03 H new ATOM 0 HD2 ARG A 74 -20.115 -27.161 9.368 1.00 50.02 H new ATOM 0 HD3 ARG A 74 -18.912 -26.024 8.792 1.00 50.02 H new ATOM 0 HE ARG A 74 -20.529 -25.030 7.463 1.00 44.33 H new ATOM 0 HH11 ARG A 74 -21.508 -28.324 8.272 1.00 41.31 H new ATOM 0 HH12 ARG A 74 -23.096 -28.162 7.513 1.00 41.31 H new ATOM 0 HH21 ARG A 74 -22.570 -24.828 6.492 1.00 64.05 H new ATOM 0 HH22 ARG A 74 -23.694 -26.191 6.510 1.00 64.05 H new ATOM 1190 N ARG A 75 -15.244 -29.758 9.326 1.00 33.04 N ATOM 1191 CA ARG A 75 -14.453 -30.575 10.239 1.00 40.14 C ATOM 1192 C ARG A 75 -13.261 -29.789 10.777 1.00 11.03 C ATOM 1193 O ARG A 75 -12.924 -29.884 11.958 1.00 3.22 O ATOM 1194 CB ARG A 75 -13.965 -31.840 9.531 1.00 32.51 C ATOM 1195 CG ARG A 75 -12.834 -31.591 8.548 1.00 44.35 C ATOM 1196 CD ARG A 75 -12.399 -32.876 7.860 1.00 10.24 C ATOM 1197 NE ARG A 75 -11.784 -33.815 8.794 1.00 3.14 N ATOM 1198 CZ ARG A 75 -11.520 -35.082 8.496 1.00 72.12 C ATOM 1199 NH1 ARG A 75 -11.816 -35.559 7.295 1.00 73.03 N ATOM 1200 NH2 ARG A 75 -10.959 -35.875 9.400 1.00 63.04 N ATOM 0 H ARG A 75 -15.191 -30.046 8.349 1.00 33.04 H new ATOM 0 HA ARG A 75 -15.089 -30.858 11.078 1.00 40.14 H new ATOM 0 HB2 ARG A 75 -13.633 -32.559 10.279 1.00 32.51 H new ATOM 0 HB3 ARG A 75 -14.802 -32.295 9.001 1.00 32.51 H new ATOM 0 HG2 ARG A 75 -13.155 -30.867 7.799 1.00 44.35 H new ATOM 0 HG3 ARG A 75 -11.985 -31.153 9.072 1.00 44.35 H new ATOM 0 HD2 ARG A 75 -13.263 -33.346 7.390 1.00 10.24 H new ATOM 0 HD3 ARG A 75 -11.692 -32.640 7.065 1.00 10.24 H new ATOM 0 HE ARG A 75 -11.544 -33.479 9.727 1.00 3.14 H new ATOM 0 HH11 ARG A 75 -12.247 -34.953 6.598 1.00 73.03 H new ATOM 0 HH12 ARG A 75 -11.612 -36.532 7.068 1.00 73.03 H new ATOM 0 HH21 ARG A 75 -10.730 -35.512 10.325 1.00 63.04 H new ATOM 0 HH22 ARG A 75 -10.757 -36.848 9.170 1.00 63.04 H new ATOM 1214 N LEU A 76 -12.627 -29.014 9.904 1.00 10.15 N ATOM 1215 CA LEU A 76 -11.472 -28.211 10.292 1.00 60.32 C ATOM 1216 C LEU A 76 -11.899 -27.015 11.137 1.00 24.51 C ATOM 1217 O LEU A 76 -11.182 -26.599 12.048 1.00 72.34 O ATOM 1218 CB LEU A 76 -10.721 -27.730 9.049 1.00 22.02 C ATOM 1219 CG LEU A 76 -11.171 -26.389 8.470 1.00 15.51 C ATOM 1220 CD1 LEU A 76 -10.513 -25.238 9.215 1.00 52.52 C ATOM 1221 CD2 LEU A 76 -10.854 -26.316 6.984 1.00 41.43 C ATOM 0 H LEU A 76 -12.893 -28.924 8.923 1.00 10.15 H new ATOM 0 HA LEU A 76 -10.810 -28.837 10.890 1.00 60.32 H new ATOM 0 HB2 LEU A 76 -9.661 -27.660 9.294 1.00 22.02 H new ATOM 0 HB3 LEU A 76 -10.819 -28.489 8.273 1.00 22.02 H new ATOM 0 HG LEU A 76 -12.251 -26.305 8.595 1.00 15.51 H new ATOM 0 HD11 LEU A 76 -10.845 -24.291 8.789 1.00 52.52 H new ATOM 0 HD12 LEU A 76 -10.792 -25.280 10.268 1.00 52.52 H new ATOM 0 HD13 LEU A 76 -9.430 -25.317 9.123 1.00 52.52 H new ATOM 0 HD21 LEU A 76 -11.181 -25.354 6.589 1.00 41.43 H new ATOM 0 HD22 LEU A 76 -9.779 -26.422 6.836 1.00 41.43 H new ATOM 0 HD23 LEU A 76 -11.374 -27.119 6.461 1.00 41.43 H new ATOM 1233 N ARG A 77 -13.071 -26.469 10.831 1.00 45.34 N ATOM 1234 CA ARG A 77 -13.593 -25.321 11.563 1.00 71.42 C ATOM 1235 C ARG A 77 -13.849 -25.679 13.024 1.00 62.51 C ATOM 1236 O ARG A 77 -13.455 -24.946 13.931 1.00 33.41 O ATOM 1237 CB ARG A 77 -14.886 -24.822 10.915 1.00 1.02 C ATOM 1238 CG ARG A 77 -15.431 -23.551 11.545 1.00 41.50 C ATOM 1239 CD ARG A 77 -16.510 -23.856 12.572 1.00 4.14 C ATOM 1240 NE ARG A 77 -17.645 -24.559 11.981 1.00 13.43 N ATOM 1241 CZ ARG A 77 -18.588 -25.163 12.696 1.00 71.04 C ATOM 1242 NH1 ARG A 77 -18.532 -25.150 14.020 1.00 24.02 N ATOM 1243 NH2 ARG A 77 -19.591 -25.782 12.085 1.00 44.31 N ATOM 0 H ARG A 77 -13.677 -26.803 10.082 1.00 45.34 H new ATOM 0 HA ARG A 77 -12.846 -24.528 11.527 1.00 71.42 H new ATOM 0 HB2 ARG A 77 -14.706 -24.644 9.855 1.00 1.02 H new ATOM 0 HB3 ARG A 77 -15.642 -25.604 10.983 1.00 1.02 H new ATOM 0 HG2 ARG A 77 -14.618 -23.003 12.021 1.00 41.50 H new ATOM 0 HG3 ARG A 77 -15.839 -22.905 10.768 1.00 41.50 H new ATOM 0 HD2 ARG A 77 -16.087 -24.461 13.374 1.00 4.14 H new ATOM 0 HD3 ARG A 77 -16.855 -22.925 13.023 1.00 4.14 H new ATOM 0 HE ARG A 77 -17.718 -24.588 10.964 1.00 13.43 H new ATOM 0 HH11 ARG A 77 -17.763 -24.675 14.493 1.00 24.02 H new ATOM 0 HH12 ARG A 77 -19.258 -25.615 14.566 1.00 24.02 H new ATOM 0 HH21 ARG A 77 -19.638 -25.794 11.066 1.00 44.31 H new ATOM 0 HH22 ARG A 77 -20.315 -26.246 12.634 1.00 44.31 H new ATOM 1257 N SER A 78 -14.511 -26.811 13.243 1.00 1.14 N ATOM 1258 CA SER A 78 -14.823 -27.264 14.594 1.00 72.23 C ATOM 1259 C SER A 78 -13.627 -27.977 15.218 1.00 74.45 C ATOM 1260 O SER A 78 -13.711 -28.499 16.330 1.00 40.42 O ATOM 1261 CB SER A 78 -16.035 -28.198 14.574 1.00 62.25 C ATOM 1262 OG SER A 78 -17.181 -27.559 15.109 1.00 44.22 O ATOM 0 H SER A 78 -14.841 -27.431 12.503 1.00 1.14 H new ATOM 0 HA SER A 78 -15.058 -26.388 15.199 1.00 72.23 H new ATOM 0 HB2 SER A 78 -16.236 -28.515 13.551 1.00 62.25 H new ATOM 0 HB3 SER A 78 -15.814 -29.097 15.149 1.00 62.25 H new ATOM 0 HG SER A 78 -16.910 -26.749 15.590 1.00 44.22 H new ATOM 1268 N LYS A 79 -12.514 -27.997 14.493 1.00 50.53 N ATOM 1269 CA LYS A 79 -11.299 -28.644 14.973 1.00 41.22 C ATOM 1270 C LYS A 79 -10.453 -27.674 15.791 1.00 4.21 C ATOM 1271 O LYS A 79 -9.723 -28.082 16.695 1.00 33.42 O ATOM 1272 CB LYS A 79 -10.483 -29.181 13.795 1.00 42.42 C ATOM 1273 CG LYS A 79 -10.426 -30.697 13.735 1.00 72.30 C ATOM 1274 CD LYS A 79 -9.392 -31.255 14.698 1.00 64.11 C ATOM 1275 CE LYS A 79 -8.015 -31.329 14.056 1.00 41.25 C ATOM 1276 NZ LYS A 79 -7.978 -32.307 12.933 1.00 11.22 N ATOM 0 H LYS A 79 -12.428 -27.572 13.570 1.00 50.53 H new ATOM 0 HA LYS A 79 -11.589 -29.476 15.615 1.00 41.22 H new ATOM 0 HB2 LYS A 79 -10.911 -28.805 12.866 1.00 42.42 H new ATOM 0 HB3 LYS A 79 -9.468 -28.790 13.859 1.00 42.42 H new ATOM 0 HG2 LYS A 79 -11.407 -31.109 13.974 1.00 72.30 H new ATOM 0 HG3 LYS A 79 -10.187 -31.013 12.720 1.00 72.30 H new ATOM 0 HD2 LYS A 79 -9.346 -30.628 15.588 1.00 64.11 H new ATOM 0 HD3 LYS A 79 -9.696 -32.249 15.024 1.00 64.11 H new ATOM 0 HE2 LYS A 79 -7.732 -30.343 13.688 1.00 41.25 H new ATOM 0 HE3 LYS A 79 -7.278 -31.612 14.808 1.00 41.25 H new ATOM 0 HZ1 LYS A 79 -7.276 -33.046 13.139 1.00 11.22 H new ATOM 0 HZ2 LYS A 79 -8.916 -32.742 12.820 1.00 11.22 H new ATOM 0 HZ3 LYS A 79 -7.716 -31.817 12.054 1.00 11.22 H new ATOM 1290 N ILE A 80 -10.556 -26.389 15.469 1.00 0.21 N ATOM 1291 CA ILE A 80 -9.802 -25.361 16.177 1.00 61.54 C ATOM 1292 C ILE A 80 -10.538 -24.026 16.155 1.00 32.34 C ATOM 1293 O ILE A 80 -10.637 -23.344 17.175 1.00 5.32 O ATOM 1294 CB ILE A 80 -8.400 -25.172 15.567 1.00 13.30 C ATOM 1295 CG1 ILE A 80 -7.682 -23.999 16.239 1.00 35.50 C ATOM 1296 CG2 ILE A 80 -8.502 -24.947 14.066 1.00 63.43 C ATOM 1297 CD1 ILE A 80 -7.531 -24.161 17.735 1.00 35.14 C ATOM 0 H ILE A 80 -11.154 -26.035 14.723 1.00 0.21 H new ATOM 0 HA ILE A 80 -9.699 -25.699 17.208 1.00 61.54 H new ATOM 0 HB ILE A 80 -7.819 -26.078 15.741 1.00 13.30 H new ATOM 0 HG12 ILE A 80 -6.694 -23.884 15.793 1.00 35.50 H new ATOM 0 HG13 ILE A 80 -8.233 -23.081 16.035 1.00 35.50 H new ATOM 0 HG21 ILE A 80 -7.504 -24.815 13.649 1.00 63.43 H new ATOM 0 HG22 ILE A 80 -8.979 -25.810 13.600 1.00 63.43 H new ATOM 0 HG23 ILE A 80 -9.097 -24.055 13.871 1.00 63.43 H new ATOM 0 HD11 ILE A 80 -7.014 -23.293 18.145 1.00 35.14 H new ATOM 0 HD12 ILE A 80 -8.516 -24.246 18.193 1.00 35.14 H new ATOM 0 HD13 ILE A 80 -6.954 -25.061 17.947 1.00 35.14 H new ATOM 1309 N ASP A 81 -11.055 -23.661 14.988 1.00 55.14 N ATOM 1310 CA ASP A 81 -11.786 -22.408 14.833 1.00 33.45 C ATOM 1311 C ASP A 81 -12.983 -22.358 15.778 1.00 75.04 C ATOM 1312 O ASP A 81 -13.502 -21.284 16.082 1.00 42.40 O ATOM 1313 CB ASP A 81 -12.254 -22.241 13.387 1.00 34.00 C ATOM 1314 CG ASP A 81 -11.264 -21.460 12.545 1.00 75.41 C ATOM 1315 OD1 ASP A 81 -10.145 -21.201 13.034 1.00 53.22 O ATOM 1316 OD2 ASP A 81 -11.609 -21.108 11.397 1.00 33.41 O ATOM 0 H ASP A 81 -10.982 -24.215 14.134 1.00 55.14 H new ATOM 0 HA ASP A 81 -11.112 -21.589 15.085 1.00 33.45 H new ATOM 0 HB2 ASP A 81 -12.409 -23.224 12.942 1.00 34.00 H new ATOM 0 HB3 ASP A 81 -13.217 -21.731 13.376 1.00 34.00 H new ATOM 1321 N ASP A 82 -13.418 -23.526 16.237 1.00 61.54 N ATOM 1322 CA ASP A 82 -14.554 -23.616 17.146 1.00 12.03 C ATOM 1323 C ASP A 82 -14.363 -22.695 18.347 1.00 50.51 C ATOM 1324 O ASP A 82 -15.258 -21.927 18.701 1.00 3.34 O ATOM 1325 CB ASP A 82 -14.744 -25.058 17.619 1.00 23.04 C ATOM 1326 CG ASP A 82 -16.201 -25.477 17.630 1.00 65.34 C ATOM 1327 OD1 ASP A 82 -16.875 -25.304 16.593 1.00 3.31 O ATOM 1328 OD2 ASP A 82 -16.667 -25.978 18.675 1.00 61.25 O ATOM 0 H ASP A 82 -13.001 -24.424 15.994 1.00 61.54 H new ATOM 0 HA ASP A 82 -15.446 -23.299 16.605 1.00 12.03 H new ATOM 0 HB2 ASP A 82 -14.181 -25.728 16.969 1.00 23.04 H new ATOM 0 HB3 ASP A 82 -14.330 -25.166 18.622 1.00 23.04 H new ATOM 1333 N ASP A 83 -13.192 -22.777 18.969 1.00 32.30 N ATOM 1334 CA ASP A 83 -12.883 -21.951 20.130 1.00 13.02 C ATOM 1335 C ASP A 83 -11.782 -20.947 19.805 1.00 11.40 C ATOM 1336 O ASP A 83 -10.994 -20.571 20.673 1.00 24.40 O ATOM 1337 CB ASP A 83 -12.459 -22.828 21.309 1.00 64.42 C ATOM 1338 CG ASP A 83 -11.765 -24.101 20.863 1.00 0.41 C ATOM 1339 OD1 ASP A 83 -10.719 -24.000 20.189 1.00 61.52 O ATOM 1340 OD2 ASP A 83 -12.269 -25.197 21.188 1.00 43.53 O ATOM 0 H ASP A 83 -12.441 -23.407 18.688 1.00 32.30 H new ATOM 0 HA ASP A 83 -13.783 -21.400 20.403 1.00 13.02 H new ATOM 0 HB2 ASP A 83 -11.791 -22.262 21.958 1.00 64.42 H new ATOM 0 HB3 ASP A 83 -13.337 -23.085 21.902 1.00 64.42 H new ATOM 1345 N PHE A 84 -11.733 -20.516 18.549 1.00 54.31 N ATOM 1346 CA PHE A 84 -10.727 -19.556 18.108 1.00 35.42 C ATOM 1347 C PHE A 84 -11.381 -18.358 17.426 1.00 2.23 C ATOM 1348 O PHE A 84 -11.465 -17.274 18.002 1.00 14.31 O ATOM 1349 CB PHE A 84 -9.739 -20.225 17.151 1.00 23.52 C ATOM 1350 CG PHE A 84 -8.421 -20.560 17.789 1.00 64.33 C ATOM 1351 CD1 PHE A 84 -8.372 -21.259 18.984 1.00 63.20 C ATOM 1352 CD2 PHE A 84 -7.230 -20.175 17.193 1.00 73.52 C ATOM 1353 CE1 PHE A 84 -7.160 -21.569 19.573 1.00 34.32 C ATOM 1354 CE2 PHE A 84 -6.016 -20.483 17.777 1.00 31.00 C ATOM 1355 CZ PHE A 84 -5.981 -21.180 18.969 1.00 11.32 C ATOM 0 H PHE A 84 -12.378 -20.816 17.818 1.00 54.31 H new ATOM 0 HA PHE A 84 -10.188 -19.202 18.987 1.00 35.42 H new ATOM 0 HB2 PHE A 84 -10.187 -21.138 16.759 1.00 23.52 H new ATOM 0 HB3 PHE A 84 -9.565 -19.565 16.301 1.00 23.52 H new ATOM 0 HD1 PHE A 84 -9.291 -21.565 19.461 1.00 63.20 H new ATOM 0 HD2 PHE A 84 -7.251 -19.628 16.262 1.00 73.52 H new ATOM 0 HE1 PHE A 84 -7.136 -22.115 20.505 1.00 34.32 H new ATOM 0 HE2 PHE A 84 -5.095 -20.179 17.302 1.00 31.00 H new ATOM 0 HZ PHE A 84 -5.033 -21.420 19.428 1.00 11.32 H new ATOM 1365 N GLU A 85 -11.840 -18.563 16.196 1.00 54.52 N ATOM 1366 CA GLU A 85 -12.485 -17.498 15.435 1.00 63.51 C ATOM 1367 C GLU A 85 -13.940 -17.847 15.138 1.00 15.41 C ATOM 1368 O GLU A 85 -14.347 -19.008 15.172 1.00 64.42 O ATOM 1369 CB GLU A 85 -11.732 -17.249 14.126 1.00 4.15 C ATOM 1370 CG GLU A 85 -11.191 -18.515 13.484 1.00 74.50 C ATOM 1371 CD GLU A 85 -11.113 -18.415 11.973 1.00 72.51 C ATOM 1372 OE1 GLU A 85 -12.167 -18.545 11.315 1.00 21.41 O ATOM 1373 OE2 GLU A 85 -9.999 -18.208 11.448 1.00 14.33 O ATOM 0 H GLU A 85 -11.778 -19.455 15.705 1.00 54.52 H new ATOM 0 HA GLU A 85 -12.462 -16.590 16.038 1.00 63.51 H new ATOM 0 HB2 GLU A 85 -12.399 -16.751 13.422 1.00 4.15 H new ATOM 0 HB3 GLU A 85 -10.904 -16.566 14.317 1.00 4.15 H new ATOM 0 HG2 GLU A 85 -10.198 -18.724 13.882 1.00 74.50 H new ATOM 0 HG3 GLU A 85 -11.828 -19.357 13.756 1.00 74.50 H new ATOM 1380 N PRO A 86 -14.746 -16.816 14.841 1.00 70.22 N ATOM 1381 CA PRO A 86 -16.169 -16.987 14.532 1.00 21.04 C ATOM 1382 C PRO A 86 -16.393 -17.676 13.191 1.00 64.14 C ATOM 1383 O PRO A 86 -15.441 -18.071 12.517 1.00 25.54 O ATOM 1384 CB PRO A 86 -16.698 -15.551 14.491 1.00 62.21 C ATOM 1385 CG PRO A 86 -15.510 -14.720 14.150 1.00 4.54 C ATOM 1386 CD PRO A 86 -14.330 -15.405 14.782 1.00 4.12 C ATOM 0 HA PRO A 86 -16.671 -17.620 15.263 1.00 21.04 H new ATOM 0 HB2 PRO A 86 -17.486 -15.440 13.746 1.00 62.21 H new ATOM 0 HB3 PRO A 86 -17.124 -15.258 15.451 1.00 62.21 H new ATOM 0 HG2 PRO A 86 -15.384 -14.644 13.070 1.00 4.54 H new ATOM 0 HG3 PRO A 86 -15.622 -13.705 14.531 1.00 4.54 H new ATOM 0 HD2 PRO A 86 -13.425 -15.277 14.187 1.00 4.12 H new ATOM 0 HD3 PRO A 86 -14.118 -15.007 15.774 1.00 4.12 H new ATOM 1394 N LYS A 87 -17.657 -17.817 12.807 1.00 43.15 N ATOM 1395 CA LYS A 87 -18.007 -18.457 11.544 1.00 45.31 C ATOM 1396 C LYS A 87 -17.548 -17.611 10.360 1.00 22.21 C ATOM 1397 O LYS A 87 -18.215 -16.650 9.975 1.00 4.44 O ATOM 1398 CB LYS A 87 -19.518 -18.685 11.466 1.00 63.32 C ATOM 1399 CG LYS A 87 -20.065 -19.530 12.604 1.00 43.15 C ATOM 1400 CD LYS A 87 -19.832 -21.012 12.360 1.00 2.50 C ATOM 1401 CE LYS A 87 -20.981 -21.636 11.584 1.00 70.13 C ATOM 1402 NZ LYS A 87 -20.819 -21.459 10.114 1.00 2.30 N ATOM 0 H LYS A 87 -18.457 -17.496 13.353 1.00 43.15 H new ATOM 0 HA LYS A 87 -17.498 -19.420 11.500 1.00 45.31 H new ATOM 0 HB2 LYS A 87 -20.023 -17.719 11.466 1.00 63.32 H new ATOM 0 HB3 LYS A 87 -19.756 -19.169 10.519 1.00 63.32 H new ATOM 0 HG2 LYS A 87 -19.589 -19.235 13.539 1.00 43.15 H new ATOM 0 HG3 LYS A 87 -21.133 -19.342 12.717 1.00 43.15 H new ATOM 0 HD2 LYS A 87 -18.902 -21.149 11.808 1.00 2.50 H new ATOM 0 HD3 LYS A 87 -19.715 -21.525 13.315 1.00 2.50 H new ATOM 0 HE2 LYS A 87 -21.042 -22.699 11.817 1.00 70.13 H new ATOM 0 HE3 LYS A 87 -21.921 -21.186 11.903 1.00 70.13 H new ATOM 0 HZ1 LYS A 87 -21.264 -22.257 9.617 1.00 2.30 H new ATOM 0 HZ2 LYS A 87 -21.273 -20.571 9.819 1.00 2.30 H new ATOM 0 HZ3 LYS A 87 -19.807 -21.425 9.878 1.00 2.30 H new ATOM 1416 N LEU A 88 -16.407 -17.976 9.785 1.00 31.03 N ATOM 1417 CA LEU A 88 -15.860 -17.252 8.643 1.00 1.33 C ATOM 1418 C LEU A 88 -16.078 -18.030 7.350 1.00 43.13 C ATOM 1419 O LEU A 88 -15.478 -17.721 6.320 1.00 65.33 O ATOM 1420 CB LEU A 88 -14.367 -16.989 8.849 1.00 61.13 C ATOM 1421 CG LEU A 88 -14.008 -15.700 9.589 1.00 63.30 C ATOM 1422 CD1 LEU A 88 -14.227 -15.865 11.085 1.00 61.11 C ATOM 1423 CD2 LEU A 88 -12.568 -15.303 9.300 1.00 44.33 C ATOM 0 H LEU A 88 -15.843 -18.769 10.091 1.00 31.03 H new ATOM 0 HA LEU A 88 -16.383 -16.299 8.564 1.00 1.33 H new ATOM 0 HB2 LEU A 88 -13.943 -17.830 9.398 1.00 61.13 H new ATOM 0 HB3 LEU A 88 -13.884 -16.970 7.872 1.00 61.13 H new ATOM 0 HG LEU A 88 -14.662 -14.904 9.232 1.00 63.30 H new ATOM 0 HD11 LEU A 88 -13.966 -14.938 11.595 1.00 61.11 H new ATOM 0 HD12 LEU A 88 -15.274 -16.102 11.276 1.00 61.11 H new ATOM 0 HD13 LEU A 88 -13.598 -16.673 11.458 1.00 61.11 H new ATOM 0 HD21 LEU A 88 -12.330 -14.384 9.835 1.00 44.33 H new ATOM 0 HD22 LEU A 88 -11.898 -16.098 9.629 1.00 44.33 H new ATOM 0 HD23 LEU A 88 -12.443 -15.143 8.229 1.00 44.33 H new ATOM 1435 N ILE A 89 -16.941 -19.038 7.410 1.00 21.21 N ATOM 1436 CA ILE A 89 -17.240 -19.858 6.243 1.00 53.14 C ATOM 1437 C ILE A 89 -18.444 -19.312 5.482 1.00 61.32 C ATOM 1438 O ILE A 89 -19.578 -19.387 5.956 1.00 2.44 O ATOM 1439 CB ILE A 89 -17.517 -21.321 6.638 1.00 42.44 C ATOM 1440 CG1 ILE A 89 -16.318 -21.904 7.389 1.00 73.24 C ATOM 1441 CG2 ILE A 89 -17.831 -22.152 5.403 1.00 34.21 C ATOM 1442 CD1 ILE A 89 -16.634 -23.186 8.127 1.00 62.32 C ATOM 0 H ILE A 89 -17.446 -19.307 8.255 1.00 21.21 H new ATOM 0 HA ILE A 89 -16.360 -19.825 5.600 1.00 53.14 H new ATOM 0 HB ILE A 89 -18.383 -21.347 7.299 1.00 42.44 H new ATOM 0 HG12 ILE A 89 -15.511 -22.091 6.680 1.00 73.24 H new ATOM 0 HG13 ILE A 89 -15.951 -21.165 8.101 1.00 73.24 H new ATOM 0 HG21 ILE A 89 -18.024 -23.183 5.698 1.00 34.21 H new ATOM 0 HG22 ILE A 89 -18.711 -21.746 4.905 1.00 34.21 H new ATOM 0 HG23 ILE A 89 -16.982 -22.123 4.720 1.00 34.21 H new ATOM 0 HD11 ILE A 89 -15.739 -23.543 8.636 1.00 62.32 H new ATOM 0 HD12 ILE A 89 -17.419 -23.000 8.860 1.00 62.32 H new ATOM 0 HD13 ILE A 89 -16.972 -23.941 7.417 1.00 62.32 H new ATOM 1454 N HIS A 90 -18.190 -18.765 4.297 1.00 30.12 N ATOM 1455 CA HIS A 90 -19.253 -18.209 3.468 1.00 15.24 C ATOM 1456 C HIS A 90 -19.402 -18.999 2.172 1.00 63.31 C ATOM 1457 O HIS A 90 -18.421 -19.254 1.472 1.00 72.25 O ATOM 1458 CB HIS A 90 -18.968 -16.740 3.154 1.00 53.11 C ATOM 1459 CG HIS A 90 -19.146 -15.830 4.330 1.00 21.24 C ATOM 1460 ND1 HIS A 90 -20.051 -14.790 4.347 1.00 30.05 N ATOM 1461 CD2 HIS A 90 -18.529 -15.810 5.535 1.00 32.11 C ATOM 1462 CE1 HIS A 90 -19.982 -14.168 5.511 1.00 31.41 C ATOM 1463 NE2 HIS A 90 -19.066 -14.768 6.250 1.00 34.23 N ATOM 0 H HIS A 90 -17.257 -18.695 3.890 1.00 30.12 H new ATOM 0 HA HIS A 90 -20.188 -18.279 4.024 1.00 15.24 H new ATOM 0 HB2 HIS A 90 -17.947 -16.648 2.785 1.00 53.11 H new ATOM 0 HB3 HIS A 90 -19.628 -16.414 2.350 1.00 53.11 H new ATOM 0 HD2 HIS A 90 -17.758 -16.487 5.871 1.00 32.11 H new ATOM 0 HE1 HIS A 90 -20.574 -13.315 5.808 1.00 31.41 H new ATOM 0 HE2 HIS A 90 -18.801 -14.501 7.198 1.00 34.23 H new ATOM 1471 N THR A 91 -20.634 -19.386 1.858 1.00 73.14 N ATOM 1472 CA THR A 91 -20.911 -20.149 0.647 1.00 23.11 C ATOM 1473 C THR A 91 -22.019 -19.498 -0.172 1.00 72.01 C ATOM 1474 O THR A 91 -23.183 -19.498 0.229 1.00 10.42 O ATOM 1475 CB THR A 91 -21.315 -21.598 0.977 1.00 61.44 C ATOM 1476 OG1 THR A 91 -20.187 -22.317 1.489 1.00 74.11 O ATOM 1477 CG2 THR A 91 -21.854 -22.304 -0.259 1.00 21.03 C ATOM 0 H THR A 91 -21.457 -19.183 2.426 1.00 73.14 H new ATOM 0 HA THR A 91 -19.991 -20.160 0.063 1.00 23.11 H new ATOM 0 HB THR A 91 -22.101 -21.570 1.732 1.00 61.44 H new ATOM 0 HG1 THR A 91 -20.453 -23.237 1.698 1.00 74.11 H new ATOM 0 HG21 THR A 91 -22.133 -23.326 -0.002 1.00 21.03 H new ATOM 0 HG22 THR A 91 -22.730 -21.771 -0.629 1.00 21.03 H new ATOM 0 HG23 THR A 91 -21.086 -22.321 -1.032 1.00 21.03 H new ATOM 1485 N VAL A 92 -21.651 -18.944 -1.323 1.00 60.41 N ATOM 1486 CA VAL A 92 -22.615 -18.291 -2.200 1.00 72.23 C ATOM 1487 C VAL A 92 -23.519 -19.313 -2.881 1.00 12.11 C ATOM 1488 O VAL A 92 -23.087 -20.043 -3.773 1.00 5.11 O ATOM 1489 CB VAL A 92 -21.911 -17.446 -3.279 1.00 22.55 C ATOM 1490 CG1 VAL A 92 -22.933 -16.754 -4.167 1.00 11.23 C ATOM 1491 CG2 VAL A 92 -20.977 -16.432 -2.635 1.00 35.33 C ATOM 0 H VAL A 92 -20.692 -18.935 -1.670 1.00 60.41 H new ATOM 0 HA VAL A 92 -23.219 -17.636 -1.573 1.00 72.23 H new ATOM 0 HB VAL A 92 -21.314 -18.110 -3.904 1.00 22.55 H new ATOM 0 HG11 VAL A 92 -22.417 -16.162 -4.923 1.00 11.23 H new ATOM 0 HG12 VAL A 92 -23.556 -17.503 -4.656 1.00 11.23 H new ATOM 0 HG13 VAL A 92 -23.559 -16.101 -3.560 1.00 11.23 H new ATOM 0 HG21 VAL A 92 -20.488 -15.844 -3.411 1.00 35.33 H new ATOM 0 HG22 VAL A 92 -21.550 -15.771 -1.985 1.00 35.33 H new ATOM 0 HG23 VAL A 92 -20.223 -16.954 -2.046 1.00 35.33 H new ATOM 1501 N ARG A 93 -24.777 -19.359 -2.454 1.00 40.03 N ATOM 1502 CA ARG A 93 -25.743 -20.292 -3.022 1.00 64.01 C ATOM 1503 C ARG A 93 -25.768 -20.189 -4.544 1.00 50.13 C ATOM 1504 O ARG A 93 -26.331 -19.249 -5.104 1.00 34.23 O ATOM 1505 CB ARG A 93 -27.139 -20.020 -2.459 1.00 24.25 C ATOM 1506 CG ARG A 93 -28.139 -21.127 -2.750 1.00 52.43 C ATOM 1507 CD ARG A 93 -27.878 -22.355 -1.892 1.00 43.35 C ATOM 1508 NE ARG A 93 -28.456 -22.223 -0.558 1.00 20.32 N ATOM 1509 CZ ARG A 93 -28.107 -22.985 0.473 1.00 65.13 C ATOM 1510 NH1 ARG A 93 -27.186 -23.927 0.323 1.00 61.32 N ATOM 1511 NH2 ARG A 93 -28.678 -22.805 1.657 1.00 52.24 N ATOM 0 H ARG A 93 -25.151 -18.761 -1.717 1.00 40.03 H new ATOM 0 HA ARG A 93 -25.439 -21.302 -2.748 1.00 64.01 H new ATOM 0 HB2 ARG A 93 -27.066 -19.882 -1.380 1.00 24.25 H new ATOM 0 HB3 ARG A 93 -27.514 -19.085 -2.875 1.00 24.25 H new ATOM 0 HG2 ARG A 93 -29.150 -20.763 -2.567 1.00 52.43 H new ATOM 0 HG3 ARG A 93 -28.084 -21.400 -3.804 1.00 52.43 H new ATOM 0 HD2 ARG A 93 -28.295 -23.235 -2.382 1.00 43.35 H new ATOM 0 HD3 ARG A 93 -26.803 -22.516 -1.807 1.00 43.35 H new ATOM 0 HE ARG A 93 -29.167 -21.507 -0.409 1.00 20.32 H new ATOM 0 HH11 ARG A 93 -26.744 -24.068 -0.585 1.00 61.32 H new ATOM 0 HH12 ARG A 93 -26.920 -24.511 1.116 1.00 61.32 H new ATOM 0 HH21 ARG A 93 -29.386 -22.081 1.777 1.00 52.24 H new ATOM 0 HH22 ARG A 93 -28.409 -23.391 2.447 1.00 52.24 H new ATOM 1525 N GLY A 94 -25.153 -21.162 -5.209 1.00 24.42 N ATOM 1526 CA GLY A 94 -25.116 -21.162 -6.660 1.00 23.04 C ATOM 1527 C GLY A 94 -23.735 -20.856 -7.204 1.00 64.03 C ATOM 1528 O GLY A 94 -23.597 -20.363 -8.323 1.00 43.32 O ATOM 0 H GLY A 94 -24.679 -21.951 -4.769 1.00 24.42 H new ATOM 0 HA2 GLY A 94 -25.441 -22.135 -7.029 1.00 23.04 H new ATOM 0 HA3 GLY A 94 -25.824 -20.425 -7.039 1.00 23.04 H new ATOM 1532 N ALA A 95 -22.709 -21.148 -6.411 1.00 12.32 N ATOM 1533 CA ALA A 95 -21.332 -20.901 -6.820 1.00 52.01 C ATOM 1534 C ALA A 95 -20.403 -21.997 -6.309 1.00 2.40 C ATOM 1535 O ALA A 95 -19.975 -22.866 -7.068 1.00 14.42 O ATOM 1536 CB ALA A 95 -20.870 -19.539 -6.323 1.00 23.42 C ATOM 0 H ALA A 95 -22.806 -21.556 -5.481 1.00 12.32 H new ATOM 0 HA ALA A 95 -21.295 -20.909 -7.909 1.00 52.01 H new ATOM 0 HB1 ALA A 95 -19.840 -19.368 -6.636 1.00 23.42 H new ATOM 0 HB2 ALA A 95 -21.510 -18.763 -6.742 1.00 23.42 H new ATOM 0 HB3 ALA A 95 -20.929 -19.510 -5.235 1.00 23.42 H new ATOM 1542 N GLY A 96 -20.093 -21.949 -5.017 1.00 0.52 N ATOM 1543 CA GLY A 96 -19.215 -22.942 -4.427 1.00 32.30 C ATOM 1544 C GLY A 96 -18.905 -22.652 -2.972 1.00 14.21 C ATOM 1545 O GLY A 96 -19.717 -22.931 -2.089 1.00 73.04 O ATOM 0 H GLY A 96 -20.435 -21.240 -4.368 1.00 0.52 H new ATOM 0 HA2 GLY A 96 -19.678 -23.925 -4.507 1.00 32.30 H new ATOM 0 HA3 GLY A 96 -18.284 -22.981 -4.993 1.00 32.30 H new ATOM 1549 N TYR A 97 -17.728 -22.091 -2.720 1.00 62.30 N ATOM 1550 CA TYR A 97 -17.311 -21.767 -1.361 1.00 42.31 C ATOM 1551 C TYR A 97 -16.341 -20.589 -1.355 1.00 40.04 C ATOM 1552 O TYR A 97 -15.642 -20.340 -2.338 1.00 21.42 O ATOM 1553 CB TYR A 97 -16.658 -22.983 -0.701 1.00 40.53 C ATOM 1554 CG TYR A 97 -15.181 -23.112 -0.997 1.00 2.51 C ATOM 1555 CD1 TYR A 97 -14.702 -23.016 -2.298 1.00 2.32 C ATOM 1556 CD2 TYR A 97 -14.264 -23.330 0.024 1.00 32.20 C ATOM 1557 CE1 TYR A 97 -13.353 -23.134 -2.573 1.00 11.41 C ATOM 1558 CE2 TYR A 97 -12.914 -23.448 -0.242 1.00 3.14 C ATOM 1559 CZ TYR A 97 -12.463 -23.349 -1.541 1.00 71.15 C ATOM 1560 OH TYR A 97 -11.119 -23.467 -1.810 1.00 63.23 O ATOM 0 H TYR A 97 -17.046 -21.851 -3.439 1.00 62.30 H new ATOM 0 HA TYR A 97 -18.198 -21.487 -0.793 1.00 42.31 H new ATOM 0 HB2 TYR A 97 -16.800 -22.920 0.378 1.00 40.53 H new ATOM 0 HB3 TYR A 97 -17.168 -23.886 -1.037 1.00 40.53 H new ATOM 0 HD1 TYR A 97 -15.396 -22.846 -3.108 1.00 2.32 H new ATOM 0 HD2 TYR A 97 -14.613 -23.409 1.043 1.00 32.20 H new ATOM 0 HE1 TYR A 97 -12.997 -23.058 -3.590 1.00 11.41 H new ATOM 0 HE2 TYR A 97 -12.215 -23.617 0.564 1.00 3.14 H new ATOM 0 HH TYR A 97 -10.614 -23.439 -0.971 1.00 63.23 H new ATOM 1570 N VAL A 98 -16.304 -19.867 -0.240 1.00 51.42 N ATOM 1571 CA VAL A 98 -15.419 -18.716 -0.104 1.00 14.33 C ATOM 1572 C VAL A 98 -15.205 -18.358 1.363 1.00 60.23 C ATOM 1573 O VAL A 98 -16.039 -18.664 2.216 1.00 23.42 O ATOM 1574 CB VAL A 98 -15.979 -17.486 -0.844 1.00 35.52 C ATOM 1575 CG1 VAL A 98 -17.224 -16.962 -0.143 1.00 63.23 C ATOM 1576 CG2 VAL A 98 -14.920 -16.400 -0.950 1.00 23.32 C ATOM 0 H VAL A 98 -16.876 -20.059 0.582 1.00 51.42 H new ATOM 0 HA VAL A 98 -14.465 -18.996 -0.550 1.00 14.33 H new ATOM 0 HB VAL A 98 -16.259 -17.788 -1.853 1.00 35.52 H new ATOM 0 HG11 VAL A 98 -17.605 -16.093 -0.680 1.00 63.23 H new ATOM 0 HG12 VAL A 98 -17.986 -17.741 -0.125 1.00 63.23 H new ATOM 0 HG13 VAL A 98 -16.973 -16.676 0.878 1.00 63.23 H new ATOM 0 HG21 VAL A 98 -15.333 -15.539 -1.475 1.00 23.32 H new ATOM 0 HG22 VAL A 98 -14.606 -16.099 0.050 1.00 23.32 H new ATOM 0 HG23 VAL A 98 -14.060 -16.783 -1.500 1.00 23.32 H new ATOM 1586 N LEU A 99 -14.083 -17.708 1.649 1.00 24.02 N ATOM 1587 CA LEU A 99 -13.758 -17.307 3.014 1.00 65.23 C ATOM 1588 C LEU A 99 -14.048 -15.825 3.230 1.00 64.43 C ATOM 1589 O LEU A 99 -13.844 -15.007 2.334 1.00 54.22 O ATOM 1590 CB LEU A 99 -12.287 -17.600 3.316 1.00 42.14 C ATOM 1591 CG LEU A 99 -11.291 -16.508 2.922 1.00 23.53 C ATOM 1592 CD1 LEU A 99 -9.901 -16.841 3.443 1.00 71.21 C ATOM 1593 CD2 LEU A 99 -11.267 -16.327 1.412 1.00 70.34 C ATOM 0 H LEU A 99 -13.383 -17.447 0.955 1.00 24.02 H new ATOM 0 HA LEU A 99 -14.384 -17.884 3.695 1.00 65.23 H new ATOM 0 HB2 LEU A 99 -12.186 -17.787 4.385 1.00 42.14 H new ATOM 0 HB3 LEU A 99 -12.008 -18.521 2.804 1.00 42.14 H new ATOM 0 HG LEU A 99 -11.612 -15.570 3.375 1.00 23.53 H new ATOM 0 HD11 LEU A 99 -9.205 -16.053 3.153 1.00 71.21 H new ATOM 0 HD12 LEU A 99 -9.929 -16.919 4.530 1.00 71.21 H new ATOM 0 HD13 LEU A 99 -9.571 -17.790 3.020 1.00 71.21 H new ATOM 0 HD21 LEU A 99 -10.553 -15.546 1.150 1.00 70.34 H new ATOM 0 HD22 LEU A 99 -10.971 -17.263 0.938 1.00 70.34 H new ATOM 0 HD23 LEU A 99 -12.260 -16.042 1.064 1.00 70.34 H new ATOM 1605 N GLU A 100 -14.522 -15.488 4.425 1.00 23.52 N ATOM 1606 CA GLU A 100 -14.838 -14.105 4.758 1.00 10.44 C ATOM 1607 C GLU A 100 -15.249 -13.978 6.222 1.00 14.15 C ATOM 1608 O GLU A 100 -15.325 -14.972 6.945 1.00 72.21 O ATOM 1609 CB GLU A 100 -15.958 -13.582 3.856 1.00 64.43 C ATOM 1610 CG GLU A 100 -15.827 -12.107 3.516 1.00 74.11 C ATOM 1611 CD GLU A 100 -16.417 -11.766 2.161 1.00 35.23 C ATOM 1612 OE1 GLU A 100 -16.033 -12.414 1.166 1.00 61.32 O ATOM 1613 OE2 GLU A 100 -17.265 -10.851 2.097 1.00 4.34 O ATOM 0 H GLU A 100 -14.695 -16.154 5.178 1.00 23.52 H new ATOM 0 HA GLU A 100 -13.942 -13.506 4.596 1.00 10.44 H new ATOM 0 HB2 GLU A 100 -15.968 -14.160 2.932 1.00 64.43 H new ATOM 0 HB3 GLU A 100 -16.917 -13.749 4.347 1.00 64.43 H new ATOM 0 HG2 GLU A 100 -16.325 -11.515 4.284 1.00 74.11 H new ATOM 0 HG3 GLU A 100 -14.774 -11.827 3.530 1.00 74.11 H new ATOM 1620 N ILE A 101 -15.513 -12.749 6.653 1.00 51.35 N ATOM 1621 CA ILE A 101 -15.917 -12.492 8.029 1.00 10.23 C ATOM 1622 C ILE A 101 -17.309 -11.873 8.087 1.00 13.52 C ATOM 1623 O ILE A 101 -17.913 -11.579 7.055 1.00 4.10 O ATOM 1624 CB ILE A 101 -14.922 -11.558 8.743 1.00 41.10 C ATOM 1625 CG1 ILE A 101 -14.815 -10.226 7.998 1.00 44.12 C ATOM 1626 CG2 ILE A 101 -13.557 -12.222 8.852 1.00 52.33 C ATOM 1627 CD1 ILE A 101 -13.783 -10.234 6.892 1.00 44.41 C ATOM 0 H ILE A 101 -15.454 -11.915 6.068 1.00 51.35 H new ATOM 0 HA ILE A 101 -15.929 -13.455 8.539 1.00 10.23 H new ATOM 0 HB ILE A 101 -15.290 -11.361 9.750 1.00 41.10 H new ATOM 0 HG12 ILE A 101 -15.788 -9.977 7.574 1.00 44.12 H new ATOM 0 HG13 ILE A 101 -14.566 -9.439 8.710 1.00 44.12 H new ATOM 0 HG21 ILE A 101 -12.865 -11.550 9.359 1.00 52.33 H new ATOM 0 HG22 ILE A 101 -13.647 -13.147 9.421 1.00 52.33 H new ATOM 0 HG23 ILE A 101 -13.180 -12.446 7.854 1.00 52.33 H new ATOM 0 HD11 ILE A 101 -13.762 -9.258 6.407 1.00 44.41 H new ATOM 0 HD12 ILE A 101 -12.801 -10.452 7.312 1.00 44.41 H new ATOM 0 HD13 ILE A 101 -14.042 -10.998 6.159 1.00 44.41 H new ATOM 1639 N ARG A 102 -17.813 -11.675 9.301 1.00 0.01 N ATOM 1640 CA ARG A 102 -19.134 -11.090 9.494 1.00 12.41 C ATOM 1641 C ARG A 102 -19.025 -9.675 10.055 1.00 13.22 C ATOM 1642 O ARG A 102 -19.924 -8.854 9.872 1.00 24.05 O ATOM 1643 CB ARG A 102 -19.969 -11.960 10.435 1.00 24.24 C ATOM 1644 CG ARG A 102 -21.440 -12.027 10.059 1.00 63.50 C ATOM 1645 CD ARG A 102 -22.244 -10.942 10.757 1.00 4.22 C ATOM 1646 NE ARG A 102 -22.212 -11.086 12.210 1.00 4.02 N ATOM 1647 CZ ARG A 102 -22.971 -11.946 12.880 1.00 2.33 C ATOM 1648 NH1 ARG A 102 -23.816 -12.734 12.231 1.00 35.13 N ATOM 1649 NH2 ARG A 102 -22.885 -12.018 14.202 1.00 25.44 N ATOM 0 H ARG A 102 -17.326 -11.911 10.166 1.00 0.01 H new ATOM 0 HA ARG A 102 -19.627 -11.041 8.523 1.00 12.41 H new ATOM 0 HB2 ARG A 102 -19.558 -12.970 10.442 1.00 24.24 H new ATOM 0 HB3 ARG A 102 -19.880 -11.572 11.450 1.00 24.24 H new ATOM 0 HG2 ARG A 102 -21.546 -11.922 8.979 1.00 63.50 H new ATOM 0 HG3 ARG A 102 -21.840 -13.005 10.325 1.00 63.50 H new ATOM 0 HD2 ARG A 102 -21.849 -9.964 10.481 1.00 4.22 H new ATOM 0 HD3 ARG A 102 -23.277 -10.978 10.412 1.00 4.22 H new ATOM 0 HE ARG A 102 -21.572 -10.494 12.739 1.00 4.02 H new ATOM 0 HH11 ARG A 102 -23.885 -12.681 11.215 1.00 35.13 H new ATOM 0 HH12 ARG A 102 -24.398 -13.394 12.748 1.00 35.13 H new ATOM 0 HH21 ARG A 102 -22.236 -11.413 14.705 1.00 25.44 H new ATOM 0 HH22 ARG A 102 -23.468 -12.679 14.716 1.00 25.44 H new ATOM 1663 N GLU A 103 -17.919 -9.398 10.739 1.00 72.21 N ATOM 1664 CA GLU A 103 -17.695 -8.083 11.328 1.00 65.25 C ATOM 1665 C GLU A 103 -17.705 -6.998 10.255 1.00 51.03 C ATOM 1666 O GLU A 103 -18.106 -5.863 10.510 1.00 4.13 O ATOM 1667 CB GLU A 103 -16.363 -8.058 12.081 1.00 10.10 C ATOM 1668 CG GLU A 103 -15.149 -8.006 11.169 1.00 24.23 C ATOM 1669 CD GLU A 103 -13.841 -8.021 11.937 1.00 33.35 C ATOM 1670 OE1 GLU A 103 -13.866 -8.333 13.146 1.00 34.42 O ATOM 1671 OE2 GLU A 103 -12.793 -7.721 11.329 1.00 61.01 O ATOM 0 H GLU A 103 -17.165 -10.066 10.899 1.00 72.21 H new ATOM 0 HA GLU A 103 -18.505 -7.884 12.030 1.00 65.25 H new ATOM 0 HB2 GLU A 103 -16.346 -7.193 12.744 1.00 10.10 H new ATOM 0 HB3 GLU A 103 -16.295 -8.944 12.712 1.00 10.10 H new ATOM 0 HG2 GLU A 103 -15.175 -8.856 10.487 1.00 24.23 H new ATOM 0 HG3 GLU A 103 -15.197 -7.105 10.558 1.00 24.23 H new ATOM 1678 N GLU A 104 -17.261 -7.357 9.054 1.00 12.40 N ATOM 1679 CA GLU A 104 -17.218 -6.413 7.943 1.00 33.01 C ATOM 1680 C GLU A 104 -18.596 -5.806 7.691 1.00 24.13 C ATOM 1681 O GLU A 104 -18.709 -4.680 7.208 1.00 73.31 O ATOM 1682 CB GLU A 104 -16.715 -7.106 6.675 1.00 22.33 C ATOM 1683 CG GLU A 104 -16.686 -6.200 5.456 1.00 11.44 C ATOM 1684 CD GLU A 104 -15.626 -5.120 5.557 1.00 21.11 C ATOM 1685 OE1 GLU A 104 -14.523 -5.418 6.061 1.00 64.32 O ATOM 1686 OE2 GLU A 104 -15.899 -3.978 5.133 1.00 12.10 O ATOM 0 H GLU A 104 -16.927 -8.293 8.826 1.00 12.40 H new ATOM 0 HA GLU A 104 -16.529 -5.611 8.208 1.00 33.01 H new ATOM 0 HB2 GLU A 104 -15.711 -7.490 6.855 1.00 22.33 H new ATOM 0 HB3 GLU A 104 -17.352 -7.965 6.464 1.00 22.33 H new ATOM 0 HG2 GLU A 104 -16.503 -6.801 4.565 1.00 11.44 H new ATOM 0 HG3 GLU A 104 -17.663 -5.734 5.331 1.00 11.44 H new