USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ -179:sc= 0.93 (180deg=-0.0183) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.211 K(o=0.72,f=-9.9!) USER MOD Set 2.1: A 73 GLN : amide:sc= 0.348 X(o=0.35,f=0) USER MOD Set 2.2: A 74 TYR OH : rot 165:sc= 0 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -1.37 K(o=-1.3,f=-10!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.0952 USER MOD Single : A 4 THR OG1 : rot 157:sc= 0.257 USER MOD Single : A 10 THR OG1 : rot -71:sc= 0.429 USER MOD Single : A 15 THR OG1 : rot 83:sc= 0.822 USER MOD Single : A 16 CYS SG : rot -100:sc= -2.62! USER MOD Single : A 22 THR OG1 : rot -8:sc= 0.739 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 27 SER OG : rot 82:sc= 0.329 USER MOD Single : A 37 SER OG : rot -34:sc= 0.0169 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0.47 (180deg=0.458) USER MOD Single : A 61 THR OG1 : rot 79:sc= 0.523 USER MOD Single : A 62 GLN : amide:sc= 0.32 K(o=0.32,f=-0.29) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0457 F(o=-1.1,f=-0.046) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 0.496 10.957 3.894 1.00 0.00 N ATOM 46 CA THR A 4 0.688 9.843 2.950 1.00 0.00 C ATOM 47 C THR A 4 -0.385 8.751 3.178 1.00 0.00 C ATOM 48 O THR A 4 -0.790 8.083 2.234 1.00 0.00 O ATOM 49 CB THR A 4 2.121 9.232 3.069 1.00 0.00 C ATOM 50 OG1 THR A 4 3.097 10.289 3.102 1.00 0.00 O ATOM 51 CG2 THR A 4 2.446 8.288 1.895 1.00 0.00 C ATOM 0 HA THR A 4 0.579 10.240 1.941 1.00 0.00 H new ATOM 0 HB THR A 4 2.153 8.652 3.991 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.918 9.963 3.527 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.452 7.886 2.019 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.727 7.469 1.877 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.389 8.841 0.957 1.00 0.00 H new ATOM 59 N PHE A 5 -0.900 8.662 4.429 1.00 0.00 N ATOM 60 CA PHE A 5 -1.969 7.710 4.783 1.00 0.00 C ATOM 61 C PHE A 5 -3.269 8.041 4.031 1.00 0.00 C ATOM 62 O PHE A 5 -3.890 7.143 3.477 1.00 0.00 O ATOM 63 CB PHE A 5 -2.232 7.666 6.318 1.00 0.00 C ATOM 64 CG PHE A 5 -3.434 6.772 6.701 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.405 5.396 6.460 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.611 7.321 7.226 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.503 4.605 6.740 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.704 6.521 7.515 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.652 5.167 7.259 1.00 0.00 C ATOM 0 H PHE A 5 -0.588 9.242 5.208 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.626 6.721 4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.338 7.300 6.824 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.410 8.679 6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.513 4.945 6.050 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.667 8.384 7.408 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.462 3.542 6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.596 6.957 7.940 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.511 4.546 7.465 1.00 0.00 H new ATOM 79 N ASP A 6 -3.648 9.333 4.021 1.00 0.00 N ATOM 80 CA ASP A 6 -4.902 9.810 3.379 1.00 0.00 C ATOM 81 C ASP A 6 -4.946 9.431 1.889 1.00 0.00 C ATOM 82 O ASP A 6 -5.986 9.002 1.371 1.00 0.00 O ATOM 83 CB ASP A 6 -5.030 11.348 3.519 1.00 0.00 C ATOM 84 CG ASP A 6 -6.365 11.903 2.971 1.00 0.00 C ATOM 85 OD1 ASP A 6 -7.358 11.946 3.728 1.00 0.00 O ATOM 86 OD2 ASP A 6 -6.435 12.279 1.779 1.00 0.00 O ATOM 0 H ASP A 6 -3.101 10.077 4.454 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.735 9.326 3.888 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.936 11.619 4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.203 11.824 2.992 1.00 0.00 H new ATOM 91 N ARG A 7 -3.796 9.606 1.227 1.00 0.00 N ATOM 92 CA ARG A 7 -3.646 9.360 -0.212 1.00 0.00 C ATOM 93 C ARG A 7 -3.717 7.854 -0.532 1.00 0.00 C ATOM 94 O ARG A 7 -4.421 7.451 -1.456 1.00 0.00 O ATOM 95 CB ARG A 7 -2.320 9.970 -0.716 1.00 0.00 C ATOM 96 CG ARG A 7 -2.108 11.451 -0.348 1.00 0.00 C ATOM 97 CD ARG A 7 -3.244 12.363 -0.838 1.00 0.00 C ATOM 98 NE ARG A 7 -3.422 12.319 -2.299 1.00 0.00 N ATOM 99 CZ ARG A 7 -3.006 13.256 -3.160 1.00 0.00 C ATOM 100 NH1 ARG A 7 -2.308 14.306 -2.744 1.00 0.00 N ATOM 101 NH2 ARG A 7 -3.291 13.141 -4.440 1.00 0.00 N ATOM 0 H ARG A 7 -2.938 9.924 1.678 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.473 9.843 -0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.492 9.388 -0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.280 9.871 -1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.019 11.541 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.165 11.794 -0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.175 12.068 -0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.038 13.389 -0.533 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.902 11.507 -2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.081 14.408 -1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.999 15.011 -3.414 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.827 12.340 -4.773 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.976 13.853 -5.099 1.00 0.00 H new ATOM 115 N VAL A 8 -2.974 7.039 0.240 1.00 0.00 N ATOM 116 CA VAL A 8 -3.041 5.557 0.147 1.00 0.00 C ATOM 117 C VAL A 8 -4.481 5.057 0.412 1.00 0.00 C ATOM 118 O VAL A 8 -4.981 4.149 -0.264 1.00 0.00 O ATOM 119 CB VAL A 8 -2.045 4.887 1.169 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.154 3.339 1.149 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.588 5.337 0.898 1.00 0.00 C ATOM 0 H VAL A 8 -2.315 7.378 0.941 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.750 5.272 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.330 5.223 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.452 2.915 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.168 3.042 1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.919 2.971 0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.079 4.861 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.300 5.047 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.517 6.420 0.999 1.00 0.00 H new ATOM 131 N ALA A 9 -5.130 5.711 1.382 1.00 0.00 N ATOM 132 CA ALA A 9 -6.485 5.378 1.837 1.00 0.00 C ATOM 133 C ALA A 9 -7.511 5.584 0.710 1.00 0.00 C ATOM 134 O ALA A 9 -8.322 4.700 0.443 1.00 0.00 O ATOM 135 CB ALA A 9 -6.851 6.218 3.072 1.00 0.00 C ATOM 0 H ALA A 9 -4.721 6.501 1.882 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.506 4.324 2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.858 5.962 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.144 6.011 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.810 7.277 2.817 1.00 0.00 H new ATOM 141 N THR A 10 -7.441 6.752 0.030 1.00 0.00 N ATOM 142 CA THR A 10 -8.378 7.096 -1.059 1.00 0.00 C ATOM 143 C THR A 10 -8.141 6.221 -2.307 1.00 0.00 C ATOM 144 O THR A 10 -9.068 6.014 -3.096 1.00 0.00 O ATOM 145 CB THR A 10 -8.330 8.621 -1.429 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.457 8.964 -2.253 1.00 0.00 O ATOM 147 CG2 THR A 10 -7.041 9.034 -2.157 1.00 0.00 C ATOM 0 H THR A 10 -6.743 7.472 0.219 1.00 0.00 H new ATOM 0 HA THR A 10 -9.379 6.887 -0.683 1.00 0.00 H new ATOM 0 HB THR A 10 -8.358 9.162 -0.483 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.341 8.575 -3.145 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.076 10.100 -2.382 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.181 8.825 -1.521 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.951 8.470 -3.085 1.00 0.00 H new ATOM 155 N ILE A 11 -6.903 5.704 -2.472 1.00 0.00 N ATOM 156 CA ILE A 11 -6.592 4.703 -3.503 1.00 0.00 C ATOM 157 C ILE A 11 -7.415 3.438 -3.237 1.00 0.00 C ATOM 158 O ILE A 11 -8.221 3.041 -4.065 1.00 0.00 O ATOM 159 CB ILE A 11 -5.056 4.338 -3.550 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.198 5.558 -4.012 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.794 3.091 -4.438 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.553 6.095 -5.386 1.00 0.00 C ATOM 0 H ILE A 11 -6.103 5.969 -1.898 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.848 5.133 -4.471 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.748 4.084 -2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.309 6.361 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.147 5.268 -4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.727 2.869 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.339 2.237 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.132 3.291 -5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.907 6.940 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.414 5.311 -6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.593 6.420 -5.392 1.00 0.00 H new ATOM 174 N ILE A 12 -7.234 2.869 -2.039 1.00 0.00 N ATOM 175 CA ILE A 12 -7.875 1.599 -1.637 1.00 0.00 C ATOM 176 C ILE A 12 -9.417 1.743 -1.604 1.00 0.00 C ATOM 177 O ILE A 12 -10.150 0.787 -1.892 1.00 0.00 O ATOM 178 CB ILE A 12 -7.305 1.134 -0.244 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.755 0.948 -0.355 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.995 -0.154 0.280 1.00 0.00 C ATOM 181 CD1 ILE A 12 -5.053 0.568 0.933 1.00 0.00 C ATOM 0 H ILE A 12 -6.639 3.273 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.642 0.833 -2.376 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.524 1.910 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.551 0.180 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.320 1.876 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.565 -0.431 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.063 0.028 0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.842 -0.964 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.984 0.464 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.218 1.345 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.452 -0.378 1.299 1.00 0.00 H new ATOM 193 N ALA A 13 -9.886 2.965 -1.306 1.00 0.00 N ATOM 194 CA ALA A 13 -11.309 3.331 -1.304 1.00 0.00 C ATOM 195 C ALA A 13 -11.929 3.206 -2.708 1.00 0.00 C ATOM 196 O ALA A 13 -12.898 2.473 -2.901 1.00 0.00 O ATOM 197 CB ALA A 13 -11.487 4.760 -0.765 1.00 0.00 C ATOM 0 H ALA A 13 -9.273 3.741 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.833 2.634 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.545 5.021 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.103 4.815 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.939 5.458 -1.398 1.00 0.00 H new ATOM 203 N GLU A 14 -11.345 3.923 -3.679 1.00 0.00 N ATOM 204 CA GLU A 14 -11.877 4.004 -5.053 1.00 0.00 C ATOM 205 C GLU A 14 -11.571 2.726 -5.875 1.00 0.00 C ATOM 206 O GLU A 14 -12.349 2.353 -6.759 1.00 0.00 O ATOM 207 CB GLU A 14 -11.301 5.273 -5.735 1.00 0.00 C ATOM 208 CG GLU A 14 -11.659 6.590 -5.008 1.00 0.00 C ATOM 209 CD GLU A 14 -10.991 7.827 -5.627 1.00 0.00 C ATOM 210 OE1 GLU A 14 -11.437 8.279 -6.702 1.00 0.00 O ATOM 211 OE2 GLU A 14 -10.014 8.354 -5.058 1.00 0.00 O ATOM 0 H GLU A 14 -10.492 4.463 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.964 4.076 -5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.216 5.183 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.670 5.323 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.741 6.723 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.363 6.511 -3.962 1.00 0.00 H new ATOM 218 N THR A 15 -10.451 2.055 -5.553 1.00 0.00 N ATOM 219 CA THR A 15 -9.991 0.843 -6.263 1.00 0.00 C ATOM 220 C THR A 15 -10.768 -0.404 -5.781 1.00 0.00 C ATOM 221 O THR A 15 -11.469 -1.052 -6.566 1.00 0.00 O ATOM 222 CB THR A 15 -8.445 0.636 -6.066 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.740 1.804 -6.523 1.00 0.00 O ATOM 224 CG2 THR A 15 -7.906 -0.587 -6.818 1.00 0.00 C ATOM 0 H THR A 15 -9.835 2.337 -4.790 1.00 0.00 H new ATOM 0 HA THR A 15 -10.188 0.980 -7.326 1.00 0.00 H new ATOM 0 HB THR A 15 -8.283 0.469 -5.001 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.738 2.483 -5.816 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.834 -0.678 -6.644 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.409 -1.485 -6.460 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.091 -0.468 -7.886 1.00 0.00 H new ATOM 232 N CYS A 16 -10.665 -0.709 -4.477 1.00 0.00 N ATOM 233 CA CYS A 16 -11.214 -1.949 -3.889 1.00 0.00 C ATOM 234 C CYS A 16 -12.660 -1.789 -3.388 1.00 0.00 C ATOM 235 O CYS A 16 -13.262 -2.778 -2.951 1.00 0.00 O ATOM 236 CB CYS A 16 -10.299 -2.380 -2.735 1.00 0.00 C ATOM 237 SG CYS A 16 -8.574 -2.497 -3.225 1.00 0.00 S ATOM 0 H CYS A 16 -10.200 -0.106 -3.799 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.246 -2.709 -4.670 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -10.392 -1.666 -1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.631 -3.346 -2.355 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.270 -3.741 -3.451 1.00 0.00 H new ATOM 243 N ASP A 17 -13.202 -0.551 -3.468 1.00 0.00 N ATOM 244 CA ASP A 17 -14.541 -0.204 -2.952 1.00 0.00 C ATOM 245 C ASP A 17 -14.605 -0.454 -1.429 1.00 0.00 C ATOM 246 O ASP A 17 -15.204 -1.418 -0.959 1.00 0.00 O ATOM 247 CB ASP A 17 -15.678 -0.937 -3.736 1.00 0.00 C ATOM 248 CG ASP A 17 -17.094 -0.609 -3.216 1.00 0.00 C ATOM 249 OD1 ASP A 17 -17.563 0.531 -3.432 1.00 0.00 O ATOM 250 OD2 ASP A 17 -17.733 -1.477 -2.572 1.00 0.00 O ATOM 0 H ASP A 17 -12.717 0.238 -3.896 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.711 0.860 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.615 -0.666 -4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.517 -2.013 -3.673 1.00 0.00 H new ATOM 255 N ILE A 18 -13.887 0.384 -0.667 1.00 0.00 N ATOM 256 CA ILE A 18 -13.861 0.323 0.812 1.00 0.00 C ATOM 257 C ILE A 18 -14.042 1.756 1.359 1.00 0.00 C ATOM 258 O ILE A 18 -13.200 2.606 1.086 1.00 0.00 O ATOM 259 CB ILE A 18 -12.512 -0.312 1.366 1.00 0.00 C ATOM 260 CG1 ILE A 18 -12.303 -1.759 0.804 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.473 -0.304 2.923 1.00 0.00 C ATOM 262 CD1 ILE A 18 -11.047 -2.462 1.287 1.00 0.00 C ATOM 0 H ILE A 18 -13.305 1.127 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.671 -0.324 1.149 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.687 0.309 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.167 -2.366 1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.277 -1.709 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.537 -0.745 3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.544 0.722 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.311 -0.883 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.993 -3.456 0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.171 -1.884 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.075 -2.551 2.373 1.00 0.00 H new ATOM 274 N PRO A 19 -15.156 2.057 2.108 1.00 0.00 N ATOM 275 CA PRO A 19 -15.401 3.405 2.683 1.00 0.00 C ATOM 276 C PRO A 19 -14.260 3.856 3.636 1.00 0.00 C ATOM 277 O PRO A 19 -13.672 3.036 4.352 1.00 0.00 O ATOM 278 CB PRO A 19 -16.765 3.246 3.423 1.00 0.00 C ATOM 279 CG PRO A 19 -16.922 1.770 3.632 1.00 0.00 C ATOM 280 CD PRO A 19 -16.270 1.127 2.429 1.00 0.00 C ATOM 0 HA PRO A 19 -15.428 4.185 1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.764 3.781 4.372 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.585 3.650 2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.443 1.450 4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.974 1.492 3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.905 0.125 2.656 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.967 1.031 1.596 1.00 0.00 H new ATOM 288 N ARG A 20 -13.985 5.173 3.631 1.00 0.00 N ATOM 289 CA ARG A 20 -12.874 5.800 4.392 1.00 0.00 C ATOM 290 C ARG A 20 -13.037 5.624 5.913 1.00 0.00 C ATOM 291 O ARG A 20 -12.046 5.652 6.655 1.00 0.00 O ATOM 292 CB ARG A 20 -12.780 7.308 4.043 1.00 0.00 C ATOM 293 CG ARG A 20 -12.495 7.597 2.554 1.00 0.00 C ATOM 294 CD ARG A 20 -11.118 7.065 2.094 1.00 0.00 C ATOM 295 NE ARG A 20 -10.014 7.665 2.864 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.391 8.813 2.565 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.741 9.517 1.505 1.00 0.00 N ATOM 298 NH2 ARG A 20 -8.429 9.254 3.338 1.00 0.00 N ATOM 0 H ARG A 20 -14.532 5.846 3.093 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.953 5.294 4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.715 7.793 4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.993 7.761 4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.277 7.144 1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.540 8.672 2.382 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.092 5.981 2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.981 7.280 1.034 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.698 7.164 3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.495 9.189 0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.258 10.389 1.290 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.156 8.724 4.165 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.953 10.128 3.112 1.00 0.00 H new ATOM 312 N GLU A 21 -14.302 5.450 6.350 1.00 0.00 N ATOM 313 CA GLU A 21 -14.659 5.207 7.762 1.00 0.00 C ATOM 314 C GLU A 21 -14.010 3.902 8.273 1.00 0.00 C ATOM 315 O GLU A 21 -13.489 3.855 9.391 1.00 0.00 O ATOM 316 CB GLU A 21 -16.208 5.159 7.932 1.00 0.00 C ATOM 317 CG GLU A 21 -16.913 4.013 7.167 1.00 0.00 C ATOM 318 CD GLU A 21 -18.440 3.998 7.316 1.00 0.00 C ATOM 319 OE1 GLU A 21 -18.931 4.043 8.465 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.160 3.948 6.293 1.00 0.00 O ATOM 0 H GLU A 21 -15.110 5.475 5.728 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.274 6.032 8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.440 5.064 8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.625 6.109 7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.664 4.092 6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.516 3.060 7.518 1.00 0.00 H new ATOM 327 N THR A 22 -14.022 2.855 7.422 1.00 0.00 N ATOM 328 CA THR A 22 -13.479 1.529 7.760 1.00 0.00 C ATOM 329 C THR A 22 -11.971 1.443 7.457 1.00 0.00 C ATOM 330 O THR A 22 -11.301 0.501 7.900 1.00 0.00 O ATOM 331 CB THR A 22 -14.260 0.400 7.003 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.245 0.647 5.586 1.00 0.00 O ATOM 333 CG2 THR A 22 -15.726 0.294 7.477 1.00 0.00 C ATOM 0 H THR A 22 -14.410 2.909 6.480 1.00 0.00 H new ATOM 0 HA THR A 22 -13.611 1.382 8.832 1.00 0.00 H new ATOM 0 HB THR A 22 -13.757 -0.541 7.226 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.859 1.531 5.412 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.230 -0.500 6.926 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.748 0.067 8.543 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.236 1.240 7.297 1.00 0.00 H new ATOM 341 N ILE A 23 -11.431 2.432 6.711 1.00 0.00 N ATOM 342 CA ILE A 23 -9.997 2.495 6.405 1.00 0.00 C ATOM 343 C ILE A 23 -9.268 3.162 7.583 1.00 0.00 C ATOM 344 O ILE A 23 -9.364 4.381 7.788 1.00 0.00 O ATOM 345 CB ILE A 23 -9.716 3.268 5.064 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.396 2.534 3.866 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.194 3.419 4.830 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.250 3.215 2.520 1.00 0.00 C ATOM 0 H ILE A 23 -11.975 3.197 6.311 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.624 1.480 6.264 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.143 4.268 5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.979 1.530 3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.458 2.423 4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.021 3.956 3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.752 3.975 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.735 2.432 4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.757 2.625 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.695 4.209 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.193 3.301 2.269 1.00 0.00 H new ATOM 360 N THR A 24 -8.578 2.333 8.372 1.00 0.00 N ATOM 361 CA THR A 24 -7.835 2.755 9.568 1.00 0.00 C ATOM 362 C THR A 24 -6.345 2.388 9.400 1.00 0.00 C ATOM 363 O THR A 24 -6.032 1.453 8.657 1.00 0.00 O ATOM 364 CB THR A 24 -8.440 2.066 10.840 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.338 0.638 10.724 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.915 2.464 11.046 1.00 0.00 C ATOM 0 H THR A 24 -8.518 1.330 8.196 1.00 0.00 H new ATOM 0 HA THR A 24 -7.918 3.835 9.693 1.00 0.00 H new ATOM 0 HB THR A 24 -7.870 2.404 11.705 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.717 0.217 11.524 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.304 1.969 11.936 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.986 3.544 11.171 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.499 2.160 10.177 1.00 0.00 H new ATOM 374 N PRO A 25 -5.389 3.119 10.064 1.00 0.00 N ATOM 375 CA PRO A 25 -3.939 2.813 9.971 1.00 0.00 C ATOM 376 C PRO A 25 -3.588 1.407 10.514 1.00 0.00 C ATOM 377 O PRO A 25 -2.667 0.760 10.008 1.00 0.00 O ATOM 378 CB PRO A 25 -3.268 3.949 10.797 1.00 0.00 C ATOM 379 CG PRO A 25 -4.353 4.459 11.695 1.00 0.00 C ATOM 380 CD PRO A 25 -5.633 4.324 10.904 1.00 0.00 C ATOM 0 HA PRO A 25 -3.591 2.783 8.939 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.422 3.573 11.372 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.887 4.738 10.149 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.401 3.882 12.619 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.174 5.497 11.976 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.497 4.192 11.556 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.825 5.207 10.295 1.00 0.00 H new ATOM 388 N GLU A 26 -4.371 0.927 11.503 1.00 0.00 N ATOM 389 CA GLU A 26 -4.150 -0.392 12.135 1.00 0.00 C ATOM 390 C GLU A 26 -4.680 -1.537 11.246 1.00 0.00 C ATOM 391 O GLU A 26 -4.355 -2.706 11.480 1.00 0.00 O ATOM 392 CB GLU A 26 -4.826 -0.459 13.530 1.00 0.00 C ATOM 393 CG GLU A 26 -6.370 -0.380 13.505 1.00 0.00 C ATOM 394 CD GLU A 26 -7.019 -0.701 14.861 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.976 -1.880 15.276 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.591 0.203 15.503 1.00 0.00 O ATOM 0 H GLU A 26 -5.168 1.437 11.884 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.074 -0.516 12.256 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.531 -1.389 14.017 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.444 0.357 14.143 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.670 0.621 13.194 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.750 -1.074 12.755 1.00 0.00 H new ATOM 403 N SER A 27 -5.519 -1.188 10.255 1.00 0.00 N ATOM 404 CA SER A 27 -6.085 -2.157 9.311 1.00 0.00 C ATOM 405 C SER A 27 -4.973 -2.748 8.427 1.00 0.00 C ATOM 406 O SER A 27 -4.088 -2.028 7.975 1.00 0.00 O ATOM 407 CB SER A 27 -7.156 -1.481 8.440 1.00 0.00 C ATOM 408 OG SER A 27 -7.692 -2.381 7.499 1.00 0.00 O ATOM 0 H SER A 27 -5.821 -0.228 10.089 1.00 0.00 H new ATOM 0 HA SER A 27 -6.550 -2.967 9.873 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.954 -1.096 9.075 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.721 -0.626 7.922 1.00 0.00 H new ATOM 0 HG SER A 27 -8.388 -2.924 7.925 1.00 0.00 H new ATOM 414 N HIS A 28 -4.999 -4.067 8.254 1.00 0.00 N ATOM 415 CA HIS A 28 -4.103 -4.816 7.361 1.00 0.00 C ATOM 416 C HIS A 28 -4.893 -5.187 6.095 1.00 0.00 C ATOM 417 O HIS A 28 -6.042 -5.605 6.207 1.00 0.00 O ATOM 418 CB HIS A 28 -3.619 -6.073 8.113 1.00 0.00 C ATOM 419 CG HIS A 28 -2.603 -6.940 7.392 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.852 -7.500 6.163 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.389 -7.357 7.812 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.806 -8.247 5.883 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.894 -8.191 6.849 1.00 0.00 N ATOM 0 H HIS A 28 -5.662 -4.667 8.744 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.233 -4.228 7.069 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.187 -5.758 9.063 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.488 -6.688 8.347 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.901 -7.083 8.736 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.701 -8.832 4.981 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.003 -8.677 6.868 1.00 0.00 H new ATOM 431 N ALA A 29 -4.298 -4.998 4.901 1.00 0.00 N ATOM 432 CA ALA A 29 -4.946 -5.330 3.611 1.00 0.00 C ATOM 433 C ALA A 29 -5.501 -6.778 3.585 1.00 0.00 C ATOM 434 O ALA A 29 -6.702 -6.971 3.436 1.00 0.00 O ATOM 435 CB ALA A 29 -3.979 -5.095 2.445 1.00 0.00 C ATOM 0 H ALA A 29 -3.359 -4.613 4.800 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.800 -4.662 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.474 -5.345 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.676 -4.048 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.098 -5.725 2.570 1.00 0.00 H new ATOM 441 N ILE A 30 -4.633 -7.774 3.796 1.00 0.00 N ATOM 442 CA ILE A 30 -5.022 -9.204 3.703 1.00 0.00 C ATOM 443 C ILE A 30 -5.827 -9.638 4.953 1.00 0.00 C ATOM 444 O ILE A 30 -6.919 -10.210 4.838 1.00 0.00 O ATOM 445 CB ILE A 30 -3.758 -10.129 3.519 1.00 0.00 C ATOM 446 CG1 ILE A 30 -2.945 -9.687 2.258 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.153 -11.625 3.431 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.718 -10.528 1.943 1.00 0.00 C ATOM 0 H ILE A 30 -3.652 -7.625 4.033 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.657 -9.316 2.824 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.125 -10.016 4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.609 -9.706 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.630 -8.653 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.256 -12.231 3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.665 -11.921 4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.816 -11.777 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.228 -10.137 1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.025 -10.490 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.020 -11.561 1.768 1.00 0.00 H new ATOM 460 N ASP A 31 -5.290 -9.308 6.139 1.00 0.00 N ATOM 461 CA ASP A 31 -5.799 -9.807 7.438 1.00 0.00 C ATOM 462 C ASP A 31 -7.145 -9.158 7.840 1.00 0.00 C ATOM 463 O ASP A 31 -8.008 -9.829 8.402 1.00 0.00 O ATOM 464 CB ASP A 31 -4.731 -9.579 8.543 1.00 0.00 C ATOM 465 CG ASP A 31 -5.198 -9.965 9.961 1.00 0.00 C ATOM 466 OD1 ASP A 31 -5.148 -11.161 10.311 1.00 0.00 O ATOM 467 OD2 ASP A 31 -5.632 -9.072 10.727 1.00 0.00 O ATOM 0 H ASP A 31 -4.487 -8.685 6.230 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.989 -10.874 7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.840 -10.156 8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.441 -8.528 8.541 1.00 0.00 H new ATOM 472 N ASP A 32 -7.318 -7.861 7.547 1.00 0.00 N ATOM 473 CA ASP A 32 -8.491 -7.074 8.016 1.00 0.00 C ATOM 474 C ASP A 32 -9.455 -6.779 6.849 1.00 0.00 C ATOM 475 O ASP A 32 -10.629 -7.147 6.898 1.00 0.00 O ATOM 476 CB ASP A 32 -8.012 -5.752 8.678 1.00 0.00 C ATOM 477 CG ASP A 32 -9.121 -5.004 9.440 1.00 0.00 C ATOM 478 OD1 ASP A 32 -9.354 -5.316 10.631 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.772 -4.112 8.854 1.00 0.00 O ATOM 0 H ASP A 32 -6.660 -7.322 6.983 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.032 -7.663 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.197 -5.975 9.367 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.607 -5.096 7.907 1.00 0.00 H new ATOM 484 N LEU A 33 -8.928 -6.130 5.789 1.00 0.00 N ATOM 485 CA LEU A 33 -9.719 -5.697 4.610 1.00 0.00 C ATOM 486 C LEU A 33 -10.130 -6.894 3.719 1.00 0.00 C ATOM 487 O LEU A 33 -11.061 -6.777 2.913 1.00 0.00 O ATOM 488 CB LEU A 33 -8.911 -4.664 3.773 1.00 0.00 C ATOM 489 CG LEU A 33 -8.503 -3.339 4.495 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.628 -2.444 3.584 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.747 -2.575 5.011 1.00 0.00 C ATOM 0 H LEU A 33 -7.939 -5.889 5.724 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.632 -5.231 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.003 -5.151 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.500 -4.404 2.893 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.900 -3.610 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.362 -1.531 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.720 -2.981 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.185 -2.188 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.431 -1.658 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.396 -2.327 4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.292 -3.201 5.717 1.00 0.00 H new ATOM 503 N GLY A 34 -9.407 -8.027 3.855 1.00 0.00 N ATOM 504 CA GLY A 34 -9.664 -9.236 3.054 1.00 0.00 C ATOM 505 C GLY A 34 -9.094 -9.148 1.636 1.00 0.00 C ATOM 506 O GLY A 34 -9.385 -9.997 0.791 1.00 0.00 O ATOM 0 H GLY A 34 -8.637 -8.126 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.232 -10.099 3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.739 -9.406 2.997 1.00 0.00 H new ATOM 510 N ILE A 35 -8.302 -8.096 1.383 1.00 0.00 N ATOM 511 CA ILE A 35 -7.665 -7.834 0.084 1.00 0.00 C ATOM 512 C ILE A 35 -6.518 -8.823 -0.153 1.00 0.00 C ATOM 513 O ILE A 35 -5.469 -8.734 0.487 1.00 0.00 O ATOM 514 CB ILE A 35 -7.122 -6.357 0.017 1.00 0.00 C ATOM 515 CG1 ILE A 35 -8.305 -5.341 0.114 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.257 -6.103 -1.248 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.885 -3.886 0.135 1.00 0.00 C ATOM 0 H ILE A 35 -8.082 -7.391 2.087 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.415 -7.964 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.464 -6.207 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.974 -5.500 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.877 -5.554 1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.906 -5.071 -1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.400 -6.777 -1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.856 -6.283 -2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.770 -3.253 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.242 -3.705 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.341 -3.651 -0.780 1.00 0.00 H new ATOM 529 N ASP A 36 -6.758 -9.778 -1.053 1.00 0.00 N ATOM 530 CA ASP A 36 -5.732 -10.712 -1.548 1.00 0.00 C ATOM 531 C ASP A 36 -4.561 -9.968 -2.214 1.00 0.00 C ATOM 532 O ASP A 36 -4.723 -8.834 -2.668 1.00 0.00 O ATOM 533 CB ASP A 36 -6.381 -11.676 -2.575 1.00 0.00 C ATOM 534 CG ASP A 36 -7.540 -12.484 -1.980 1.00 0.00 C ATOM 535 OD1 ASP A 36 -7.293 -13.573 -1.415 1.00 0.00 O ATOM 536 OD2 ASP A 36 -8.702 -12.021 -2.047 1.00 0.00 O ATOM 0 H ASP A 36 -7.678 -9.931 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.335 -11.267 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.744 -11.101 -3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.622 -12.361 -2.953 1.00 0.00 H new ATOM 541 N SER A 37 -3.394 -10.642 -2.314 1.00 0.00 N ATOM 542 CA SER A 37 -2.218 -10.130 -3.058 1.00 0.00 C ATOM 543 C SER A 37 -2.547 -9.954 -4.569 1.00 0.00 C ATOM 544 O SER A 37 -1.819 -9.261 -5.286 1.00 0.00 O ATOM 545 CB SER A 37 -1.005 -11.080 -2.854 1.00 0.00 C ATOM 546 OG SER A 37 0.191 -10.570 -3.441 1.00 0.00 O ATOM 0 H SER A 37 -3.239 -11.554 -1.883 1.00 0.00 H new ATOM 0 HA SER A 37 -1.957 -9.148 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.845 -11.236 -1.787 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.233 -12.054 -3.288 1.00 0.00 H new ATOM 0 HG SER A 37 -0.030 -10.079 -4.260 1.00 0.00 H new ATOM 552 N LEU A 38 -3.664 -10.569 -5.030 1.00 0.00 N ATOM 553 CA LEU A 38 -4.189 -10.428 -6.399 1.00 0.00 C ATOM 554 C LEU A 38 -4.951 -9.101 -6.546 1.00 0.00 C ATOM 555 O LEU A 38 -4.779 -8.374 -7.523 1.00 0.00 O ATOM 556 CB LEU A 38 -5.135 -11.615 -6.725 1.00 0.00 C ATOM 557 CG LEU A 38 -4.485 -13.034 -6.736 1.00 0.00 C ATOM 558 CD1 LEU A 38 -5.528 -14.127 -7.079 1.00 0.00 C ATOM 559 CD2 LEU A 38 -3.276 -13.077 -7.698 1.00 0.00 C ATOM 0 H LEU A 38 -4.230 -11.185 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.352 -10.431 -7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.946 -11.616 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.584 -11.437 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.116 -13.245 -5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.045 -15.104 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.325 -14.116 -6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.950 -13.931 -8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.839 -14.076 -7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.606 -12.834 -8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.529 -12.351 -7.376 1.00 0.00 H new ATOM 571 N ASP A 39 -5.794 -8.803 -5.546 1.00 0.00 N ATOM 572 CA ASP A 39 -6.604 -7.565 -5.508 1.00 0.00 C ATOM 573 C ASP A 39 -5.702 -6.342 -5.209 1.00 0.00 C ATOM 574 O ASP A 39 -5.990 -5.213 -5.623 1.00 0.00 O ATOM 575 CB ASP A 39 -7.728 -7.711 -4.444 1.00 0.00 C ATOM 576 CG ASP A 39 -8.717 -6.531 -4.440 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.606 -6.493 -5.315 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.605 -5.628 -3.580 1.00 0.00 O ATOM 0 H ASP A 39 -5.937 -9.410 -4.739 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.069 -7.404 -6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.276 -8.635 -4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.275 -7.800 -3.457 1.00 0.00 H new ATOM 583 N PHE A 40 -4.586 -6.611 -4.514 1.00 0.00 N ATOM 584 CA PHE A 40 -3.590 -5.606 -4.121 1.00 0.00 C ATOM 585 C PHE A 40 -2.756 -5.138 -5.343 1.00 0.00 C ATOM 586 O PHE A 40 -2.126 -4.083 -5.286 1.00 0.00 O ATOM 587 CB PHE A 40 -2.679 -6.172 -2.997 1.00 0.00 C ATOM 588 CG PHE A 40 -1.977 -5.104 -2.148 1.00 0.00 C ATOM 589 CD1 PHE A 40 -2.610 -4.549 -1.040 1.00 0.00 C ATOM 590 CD2 PHE A 40 -0.699 -4.652 -2.463 1.00 0.00 C ATOM 591 CE1 PHE A 40 -1.985 -3.589 -0.274 1.00 0.00 C ATOM 592 CE2 PHE A 40 -0.074 -3.688 -1.699 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.721 -3.156 -0.608 1.00 0.00 C ATOM 0 H PHE A 40 -4.347 -7.553 -4.204 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.112 -4.731 -3.733 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.281 -6.801 -2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.923 -6.814 -3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.605 -4.875 -0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.187 -5.063 -3.321 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.487 -3.176 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.920 -3.352 -1.957 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.237 -2.397 -0.012 1.00 0.00 H new ATOM 603 N LEU A 41 -2.725 -5.958 -6.425 1.00 0.00 N ATOM 604 CA LEU A 41 -2.034 -5.603 -7.699 1.00 0.00 C ATOM 605 C LEU A 41 -2.574 -4.260 -8.250 1.00 0.00 C ATOM 606 O LEU A 41 -1.808 -3.394 -8.692 1.00 0.00 O ATOM 607 CB LEU A 41 -2.237 -6.718 -8.769 1.00 0.00 C ATOM 608 CG LEU A 41 -1.612 -8.116 -8.453 1.00 0.00 C ATOM 609 CD1 LEU A 41 -2.020 -9.170 -9.511 1.00 0.00 C ATOM 610 CD2 LEU A 41 -0.076 -8.030 -8.329 1.00 0.00 C ATOM 0 H LEU A 41 -3.172 -6.875 -6.443 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.969 -5.506 -7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.308 -6.851 -8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.821 -6.364 -9.712 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.009 -8.438 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.568 -10.130 -9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.105 -9.272 -9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.674 -8.851 -10.494 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.327 -9.019 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.345 -7.667 -9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.186 -7.344 -7.524 1.00 0.00 H new ATOM 622 N ASP A 42 -3.912 -4.114 -8.175 1.00 0.00 N ATOM 623 CA ASP A 42 -4.666 -2.938 -8.668 1.00 0.00 C ATOM 624 C ASP A 42 -4.432 -1.721 -7.761 1.00 0.00 C ATOM 625 O ASP A 42 -4.416 -0.580 -8.237 1.00 0.00 O ATOM 626 CB ASP A 42 -6.182 -3.272 -8.737 1.00 0.00 C ATOM 627 CG ASP A 42 -6.462 -4.533 -9.564 1.00 0.00 C ATOM 628 OD1 ASP A 42 -6.423 -5.649 -8.998 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.692 -4.424 -10.790 1.00 0.00 O ATOM 0 H ASP A 42 -4.515 -4.825 -7.761 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.309 -2.692 -9.668 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.568 -3.409 -7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.718 -2.428 -9.171 1.00 0.00 H new ATOM 634 N ILE A 43 -4.260 -1.982 -6.450 1.00 0.00 N ATOM 635 CA ILE A 43 -3.916 -0.941 -5.454 1.00 0.00 C ATOM 636 C ILE A 43 -2.518 -0.376 -5.759 1.00 0.00 C ATOM 637 O ILE A 43 -2.335 0.832 -5.837 1.00 0.00 O ATOM 638 CB ILE A 43 -3.936 -1.516 -3.991 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.353 -2.046 -3.629 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.447 -0.480 -2.946 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.472 -2.592 -2.216 1.00 0.00 C ATOM 0 H ILE A 43 -4.355 -2.916 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.664 -0.151 -5.522 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.235 -2.350 -3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.074 -1.239 -3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.626 -2.831 -4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.479 -0.924 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.424 -0.184 -3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.094 0.397 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.491 -2.941 -2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.778 -3.422 -2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.233 -1.805 -1.501 1.00 0.00 H new ATOM 653 N ALA A 44 -1.567 -1.303 -5.975 1.00 0.00 N ATOM 654 CA ALA A 44 -0.154 -0.984 -6.269 1.00 0.00 C ATOM 655 C ALA A 44 -0.030 -0.185 -7.577 1.00 0.00 C ATOM 656 O ALA A 44 0.828 0.692 -7.699 1.00 0.00 O ATOM 657 CB ALA A 44 0.665 -2.283 -6.353 1.00 0.00 C ATOM 0 H ALA A 44 -1.758 -2.305 -5.951 1.00 0.00 H new ATOM 0 HA ALA A 44 0.238 -0.366 -5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.706 -2.043 -6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.605 -2.813 -5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.265 -2.915 -7.146 1.00 0.00 H new ATOM 663 N PHE A 45 -0.917 -0.517 -8.529 1.00 0.00 N ATOM 664 CA PHE A 45 -1.018 0.160 -9.833 1.00 0.00 C ATOM 665 C PHE A 45 -1.506 1.614 -9.667 1.00 0.00 C ATOM 666 O PHE A 45 -0.906 2.542 -10.206 1.00 0.00 O ATOM 667 CB PHE A 45 -1.969 -0.640 -10.762 1.00 0.00 C ATOM 668 CG PHE A 45 -2.061 -0.106 -12.196 1.00 0.00 C ATOM 669 CD1 PHE A 45 -0.982 -0.242 -13.075 1.00 0.00 C ATOM 670 CD2 PHE A 45 -3.226 0.501 -12.675 1.00 0.00 C ATOM 671 CE1 PHE A 45 -1.061 0.223 -14.374 1.00 0.00 C ATOM 672 CE2 PHE A 45 -3.305 0.961 -13.977 1.00 0.00 C ATOM 673 CZ PHE A 45 -2.226 0.815 -14.830 1.00 0.00 C ATOM 0 H PHE A 45 -1.593 -1.272 -8.414 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.028 0.198 -10.287 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.635 -1.677 -10.796 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.967 -0.641 -10.324 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.074 -0.717 -12.734 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.077 0.612 -12.019 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.212 0.124 -15.034 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.210 1.435 -14.328 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.292 1.162 -15.850 1.00 0.00 H new ATOM 683 N ALA A 46 -2.600 1.787 -8.907 1.00 0.00 N ATOM 684 CA ALA A 46 -3.227 3.107 -8.684 1.00 0.00 C ATOM 685 C ALA A 46 -2.330 4.034 -7.823 1.00 0.00 C ATOM 686 O ALA A 46 -2.337 5.248 -8.007 1.00 0.00 O ATOM 687 CB ALA A 46 -4.611 2.928 -8.048 1.00 0.00 C ATOM 0 H ALA A 46 -3.076 1.021 -8.430 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.345 3.594 -9.652 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.066 3.905 -7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.243 2.338 -8.712 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.509 2.413 -7.093 1.00 0.00 H new ATOM 693 N ILE A 47 -1.569 3.433 -6.887 1.00 0.00 N ATOM 694 CA ILE A 47 -0.559 4.139 -6.051 1.00 0.00 C ATOM 695 C ILE A 47 0.615 4.611 -6.925 1.00 0.00 C ATOM 696 O ILE A 47 1.088 5.749 -6.789 1.00 0.00 O ATOM 697 CB ILE A 47 -0.022 3.207 -4.889 1.00 0.00 C ATOM 698 CG1 ILE A 47 -1.131 2.969 -3.814 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.280 3.749 -4.229 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.805 1.920 -2.760 1.00 0.00 C ATOM 0 H ILE A 47 -1.633 2.436 -6.683 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.044 5.004 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 47 0.237 2.253 -5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.334 3.914 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.049 2.675 -4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.599 3.068 -3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.065 3.826 -4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.089 4.734 -3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.639 1.833 -2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.634 0.959 -3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.092 2.217 -2.216 1.00 0.00 H new ATOM 712 N ASP A 48 1.062 3.707 -7.813 1.00 0.00 N ATOM 713 CA ASP A 48 2.153 3.963 -8.774 1.00 0.00 C ATOM 714 C ASP A 48 1.867 5.255 -9.572 1.00 0.00 C ATOM 715 O ASP A 48 2.724 6.127 -9.703 1.00 0.00 O ATOM 716 CB ASP A 48 2.289 2.742 -9.722 1.00 0.00 C ATOM 717 CG ASP A 48 3.513 2.796 -10.652 1.00 0.00 C ATOM 718 OD1 ASP A 48 3.440 3.426 -11.730 1.00 0.00 O ATOM 719 OD2 ASP A 48 4.558 2.200 -10.306 1.00 0.00 O ATOM 0 H ASP A 48 0.673 2.767 -7.886 1.00 0.00 H new ATOM 0 HA ASP A 48 3.092 4.102 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.344 1.834 -9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.388 2.667 -10.331 1.00 0.00 H new ATOM 724 N LYS A 49 0.612 5.366 -10.022 1.00 0.00 N ATOM 725 CA LYS A 49 0.100 6.511 -10.785 1.00 0.00 C ATOM 726 C LYS A 49 -0.025 7.770 -9.894 1.00 0.00 C ATOM 727 O LYS A 49 0.485 8.848 -10.243 1.00 0.00 O ATOM 728 CB LYS A 49 -1.286 6.134 -11.372 1.00 0.00 C ATOM 729 CG LYS A 49 -1.272 4.916 -12.321 1.00 0.00 C ATOM 730 CD LYS A 49 -2.687 4.491 -12.777 1.00 0.00 C ATOM 731 CE LYS A 49 -3.439 5.620 -13.506 1.00 0.00 C ATOM 732 NZ LYS A 49 -4.767 5.182 -13.992 1.00 0.00 N ATOM 0 H LYS A 49 -0.092 4.646 -9.862 1.00 0.00 H new ATOM 0 HA LYS A 49 0.800 6.745 -11.587 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.971 5.929 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.684 6.994 -11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.669 5.152 -13.198 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.790 4.077 -11.819 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.608 3.627 -13.437 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.265 4.176 -11.908 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.562 6.467 -12.832 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.842 5.967 -14.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.238 5.973 -14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.650 4.390 -14.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.348 4.875 -13.186 1.00 0.00 H new ATOM 746 N ALA A 50 -0.689 7.591 -8.736 1.00 0.00 N ATOM 747 CA ALA A 50 -1.104 8.692 -7.837 1.00 0.00 C ATOM 748 C ALA A 50 0.088 9.508 -7.329 1.00 0.00 C ATOM 749 O ALA A 50 0.140 10.731 -7.483 1.00 0.00 O ATOM 750 CB ALA A 50 -1.888 8.126 -6.644 1.00 0.00 C ATOM 0 H ALA A 50 -0.957 6.669 -8.392 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.738 9.362 -8.417 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.190 8.942 -5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.774 7.604 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.257 7.430 -6.091 1.00 0.00 H new ATOM 756 N PHE A 51 1.037 8.802 -6.724 1.00 0.00 N ATOM 757 CA PHE A 51 2.237 9.402 -6.127 1.00 0.00 C ATOM 758 C PHE A 51 3.313 9.669 -7.197 1.00 0.00 C ATOM 759 O PHE A 51 4.176 10.523 -7.000 1.00 0.00 O ATOM 760 CB PHE A 51 2.783 8.475 -5.021 1.00 0.00 C ATOM 761 CG PHE A 51 1.811 8.250 -3.855 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.831 7.261 -3.921 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.880 9.028 -2.697 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.035 7.044 -2.871 1.00 0.00 C ATOM 765 CE2 PHE A 51 1.012 8.809 -1.648 1.00 0.00 C ATOM 766 CZ PHE A 51 0.055 7.818 -1.738 1.00 0.00 C ATOM 0 H PHE A 51 1.000 7.787 -6.630 1.00 0.00 H new ATOM 0 HA PHE A 51 1.967 10.362 -5.686 1.00 0.00 H new ATOM 0 HB2 PHE A 51 3.034 7.510 -5.462 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.709 8.898 -4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.749 6.654 -4.811 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.621 9.810 -2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.783 6.268 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.081 9.413 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.625 7.650 -0.916 1.00 0.00 H new ATOM 776 N GLY A 52 3.236 8.939 -8.330 1.00 0.00 N ATOM 777 CA GLY A 52 4.226 9.059 -9.409 1.00 0.00 C ATOM 778 C GLY A 52 5.525 8.339 -9.073 1.00 0.00 C ATOM 779 O GLY A 52 6.609 8.731 -9.521 1.00 0.00 O ATOM 0 H GLY A 52 2.496 8.262 -8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.811 8.648 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.433 10.113 -9.596 1.00 0.00 H new ATOM 783 N ILE A 53 5.393 7.280 -8.264 1.00 0.00 N ATOM 784 CA ILE A 53 6.517 6.439 -7.808 1.00 0.00 C ATOM 785 C ILE A 53 6.385 5.042 -8.402 1.00 0.00 C ATOM 786 O ILE A 53 5.313 4.663 -8.862 1.00 0.00 O ATOM 787 CB ILE A 53 6.545 6.310 -6.243 1.00 0.00 C ATOM 788 CG1 ILE A 53 5.202 5.697 -5.714 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.852 7.672 -5.590 1.00 0.00 C ATOM 790 CD1 ILE A 53 5.132 5.491 -4.218 1.00 0.00 C ATOM 0 H ILE A 53 4.490 6.975 -7.900 1.00 0.00 H new ATOM 0 HA ILE A 53 7.440 6.916 -8.139 1.00 0.00 H new ATOM 0 HB ILE A 53 7.347 5.627 -5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.381 6.349 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.042 4.737 -6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.867 7.561 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.824 8.028 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.083 8.392 -5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.165 5.063 -3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.926 4.812 -3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.255 6.449 -3.713 1.00 0.00 H new ATOM 802 N LYS A 54 7.480 4.289 -8.389 1.00 0.00 N ATOM 803 CA LYS A 54 7.467 2.869 -8.738 1.00 0.00 C ATOM 804 C LYS A 54 7.341 2.055 -7.446 1.00 0.00 C ATOM 805 O LYS A 54 8.298 1.967 -6.670 1.00 0.00 O ATOM 806 CB LYS A 54 8.747 2.487 -9.523 1.00 0.00 C ATOM 807 CG LYS A 54 8.784 1.017 -9.986 1.00 0.00 C ATOM 808 CD LYS A 54 10.066 0.661 -10.764 1.00 0.00 C ATOM 809 CE LYS A 54 11.350 0.834 -9.929 1.00 0.00 C ATOM 810 NZ LYS A 54 12.561 0.430 -10.681 1.00 0.00 N ATOM 0 H LYS A 54 8.402 4.644 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 54 6.618 2.651 -9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.832 3.134 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.617 2.682 -8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.702 0.366 -9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.917 0.819 -10.616 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.000 -0.371 -11.108 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.131 1.289 -11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.445 1.876 -9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.273 0.239 -9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.401 0.562 -10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.483 -0.571 -10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.650 1.015 -11.536 1.00 0.00 H new ATOM 824 N LEU A 55 6.130 1.531 -7.179 1.00 0.00 N ATOM 825 CA LEU A 55 5.888 0.638 -6.042 1.00 0.00 C ATOM 826 C LEU A 55 6.279 -0.792 -6.485 1.00 0.00 C ATOM 827 O LEU A 55 5.653 -1.327 -7.403 1.00 0.00 O ATOM 828 CB LEU A 55 4.397 0.744 -5.553 1.00 0.00 C ATOM 829 CG LEU A 55 4.032 -0.015 -4.215 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.802 0.600 -3.523 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.797 -1.531 -4.426 1.00 0.00 C ATOM 0 H LEU A 55 5.301 1.716 -7.744 1.00 0.00 H new ATOM 0 HA LEU A 55 6.495 0.921 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.156 1.799 -5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.751 0.366 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 55 4.903 0.105 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.586 0.049 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.005 1.643 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.943 0.545 -4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.550 -1.997 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.974 -1.678 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.701 -1.987 -4.829 1.00 0.00 H new ATOM 843 N PRO A 56 7.325 -1.432 -5.859 1.00 0.00 N ATOM 844 CA PRO A 56 7.734 -2.801 -6.215 1.00 0.00 C ATOM 845 C PRO A 56 6.979 -3.868 -5.394 1.00 0.00 C ATOM 846 O PRO A 56 7.503 -4.410 -4.412 1.00 0.00 O ATOM 847 CB PRO A 56 9.248 -2.764 -5.890 1.00 0.00 C ATOM 848 CG PRO A 56 9.358 -1.849 -4.691 1.00 0.00 C ATOM 849 CD PRO A 56 8.196 -0.865 -4.787 1.00 0.00 C ATOM 0 HA PRO A 56 7.513 -3.076 -7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.630 -3.760 -5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.825 -2.384 -6.733 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.308 -2.418 -3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.313 -1.323 -4.691 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.662 -0.786 -3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.542 0.136 -5.043 1.00 0.00 H new ATOM 857 N LEU A 57 5.746 -4.194 -5.830 1.00 0.00 N ATOM 858 CA LEU A 57 4.922 -5.213 -5.151 1.00 0.00 C ATOM 859 C LEU A 57 5.470 -6.616 -5.436 1.00 0.00 C ATOM 860 O LEU A 57 5.400 -7.483 -4.579 1.00 0.00 O ATOM 861 CB LEU A 57 3.428 -5.119 -5.558 1.00 0.00 C ATOM 862 CG LEU A 57 2.470 -6.125 -4.839 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.526 -5.969 -3.298 1.00 0.00 C ATOM 864 CD2 LEU A 57 1.032 -5.991 -5.370 1.00 0.00 C ATOM 0 H LEU A 57 5.301 -3.769 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 57 4.978 -5.019 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.078 -4.106 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.352 -5.277 -6.634 1.00 0.00 H new ATOM 0 HG LEU A 57 2.817 -7.133 -5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.847 -6.685 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.542 -6.155 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.228 -4.957 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.386 -6.701 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.672 -4.978 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.018 -6.199 -6.440 1.00 0.00 H new ATOM 876 N GLU A 58 6.048 -6.807 -6.638 1.00 0.00 N ATOM 877 CA GLU A 58 6.679 -8.080 -7.041 1.00 0.00 C ATOM 878 C GLU A 58 7.823 -8.462 -6.083 1.00 0.00 C ATOM 879 O GLU A 58 8.024 -9.642 -5.778 1.00 0.00 O ATOM 880 CB GLU A 58 7.194 -7.988 -8.497 1.00 0.00 C ATOM 881 CG GLU A 58 8.256 -6.899 -8.743 1.00 0.00 C ATOM 882 CD GLU A 58 8.663 -6.800 -10.217 1.00 0.00 C ATOM 883 OE1 GLU A 58 7.893 -6.220 -11.016 1.00 0.00 O ATOM 884 OE2 GLU A 58 9.740 -7.320 -10.589 1.00 0.00 O ATOM 0 H GLU A 58 6.091 -6.084 -7.356 1.00 0.00 H new ATOM 0 HA GLU A 58 5.924 -8.864 -6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.613 -8.954 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.346 -7.803 -9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.868 -5.936 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.138 -7.113 -8.139 1.00 0.00 H new ATOM 891 N LYS A 59 8.536 -7.435 -5.585 1.00 0.00 N ATOM 892 CA LYS A 59 9.625 -7.609 -4.627 1.00 0.00 C ATOM 893 C LYS A 59 9.054 -7.972 -3.249 1.00 0.00 C ATOM 894 O LYS A 59 9.507 -8.929 -2.629 1.00 0.00 O ATOM 895 CB LYS A 59 10.486 -6.320 -4.541 1.00 0.00 C ATOM 896 CG LYS A 59 11.784 -6.471 -3.713 1.00 0.00 C ATOM 897 CD LYS A 59 12.626 -5.174 -3.647 1.00 0.00 C ATOM 898 CE LYS A 59 11.933 -4.044 -2.872 1.00 0.00 C ATOM 899 NZ LYS A 59 11.703 -4.402 -1.447 1.00 0.00 N ATOM 0 H LYS A 59 8.367 -6.462 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 59 10.267 -8.422 -4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.749 -6.005 -5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.883 -5.523 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.526 -6.780 -2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.391 -7.267 -4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.585 -5.394 -3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.838 -4.834 -4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.543 -3.142 -2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.979 -3.812 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.311 -3.582 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.032 -5.195 -1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.604 -4.680 -1.009 1.00 0.00 H new ATOM 913 N TRP A 60 8.019 -7.222 -2.824 1.00 0.00 N ATOM 914 CA TRP A 60 7.403 -7.355 -1.482 1.00 0.00 C ATOM 915 C TRP A 60 6.778 -8.749 -1.289 1.00 0.00 C ATOM 916 O TRP A 60 6.995 -9.394 -0.256 1.00 0.00 O ATOM 917 CB TRP A 60 6.345 -6.244 -1.266 1.00 0.00 C ATOM 918 CG TRP A 60 6.898 -4.834 -1.264 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.209 -4.435 -1.385 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.142 -3.628 -1.113 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.294 -3.071 -1.344 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.048 -2.552 -1.167 1.00 0.00 C ATOM 923 CE3 TRP A 60 4.785 -3.358 -0.934 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.645 -1.232 -1.054 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.384 -2.046 -0.819 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.310 -0.995 -0.877 1.00 0.00 C ATOM 0 H TRP A 60 7.582 -6.503 -3.401 1.00 0.00 H new ATOM 0 HA TRP A 60 8.188 -7.240 -0.735 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.591 -6.323 -2.049 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.839 -6.423 -0.317 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.050 -5.103 -1.496 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.154 -2.529 -1.432 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.064 -4.161 -0.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.357 -0.422 -1.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.336 -1.822 -0.682 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.962 0.023 -0.780 1.00 0.00 H new ATOM 937 N THR A 61 6.013 -9.186 -2.308 1.00 0.00 N ATOM 938 CA THR A 61 5.433 -10.532 -2.404 1.00 0.00 C ATOM 939 C THR A 61 6.526 -11.621 -2.316 1.00 0.00 C ATOM 940 O THR A 61 6.381 -12.578 -1.551 1.00 0.00 O ATOM 941 CB THR A 61 4.614 -10.681 -3.739 1.00 0.00 C ATOM 942 OG1 THR A 61 3.589 -9.667 -3.800 1.00 0.00 O ATOM 943 CG2 THR A 61 3.962 -12.072 -3.885 1.00 0.00 C ATOM 0 H THR A 61 5.778 -8.595 -3.105 1.00 0.00 H new ATOM 0 HA THR A 61 4.757 -10.668 -1.560 1.00 0.00 H new ATOM 0 HB THR A 61 5.321 -10.561 -4.560 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.989 -8.814 -4.070 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.410 -12.118 -4.824 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.736 -12.839 -3.881 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.278 -12.243 -3.053 1.00 0.00 H new ATOM 951 N GLN A 62 7.639 -11.431 -3.059 1.00 0.00 N ATOM 952 CA GLN A 62 8.765 -12.390 -3.119 1.00 0.00 C ATOM 953 C GLN A 62 9.447 -12.529 -1.740 1.00 0.00 C ATOM 954 O GLN A 62 9.816 -13.633 -1.329 1.00 0.00 O ATOM 955 CB GLN A 62 9.794 -11.945 -4.204 1.00 0.00 C ATOM 956 CG GLN A 62 10.996 -12.902 -4.384 1.00 0.00 C ATOM 957 CD GLN A 62 10.601 -14.325 -4.800 1.00 0.00 C ATOM 958 OE1 GLN A 62 9.599 -14.534 -5.489 1.00 0.00 O ATOM 959 NE2 GLN A 62 11.380 -15.311 -4.390 1.00 0.00 N ATOM 0 H GLN A 62 7.782 -10.603 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 62 8.370 -13.368 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.277 -11.849 -5.159 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.170 -10.955 -3.945 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.668 -12.488 -5.135 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.554 -12.949 -3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.202 -15.109 -3.821 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.159 -16.274 -4.642 1.00 0.00 H new ATOM 968 N GLU A 63 9.565 -11.396 -1.025 1.00 0.00 N ATOM 969 CA GLU A 63 10.145 -11.341 0.335 1.00 0.00 C ATOM 970 C GLU A 63 9.293 -12.154 1.324 1.00 0.00 C ATOM 971 O GLU A 63 9.834 -12.791 2.229 1.00 0.00 O ATOM 972 CB GLU A 63 10.307 -9.859 0.784 1.00 0.00 C ATOM 973 CG GLU A 63 11.321 -9.079 -0.070 1.00 0.00 C ATOM 974 CD GLU A 63 11.344 -7.569 0.200 1.00 0.00 C ATOM 975 OE1 GLU A 63 10.500 -6.833 -0.359 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.199 -7.105 0.970 1.00 0.00 O ATOM 0 H GLU A 63 9.260 -10.487 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 63 11.136 -11.795 0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.338 -9.362 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.623 -9.834 1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.317 -9.484 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.095 -9.245 -1.123 1.00 0.00 H new ATOM 983 N VAL A 64 7.964 -12.173 1.111 1.00 0.00 N ATOM 984 CA VAL A 64 7.040 -13.008 1.899 1.00 0.00 C ATOM 985 C VAL A 64 7.225 -14.507 1.541 1.00 0.00 C ATOM 986 O VAL A 64 7.275 -15.358 2.441 1.00 0.00 O ATOM 987 CB VAL A 64 5.539 -12.557 1.698 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.550 -13.457 2.494 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.357 -11.059 2.080 1.00 0.00 C ATOM 0 H VAL A 64 7.504 -11.614 0.393 1.00 0.00 H new ATOM 0 HA VAL A 64 7.281 -12.874 2.954 1.00 0.00 H new ATOM 0 HB VAL A 64 5.303 -12.675 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.530 -13.112 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.644 -14.489 2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.783 -13.401 3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.316 -10.770 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.630 -10.914 3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.997 -10.442 1.449 1.00 0.00 H new ATOM 999 N ASN A 65 7.340 -14.804 0.221 1.00 0.00 N ATOM 1000 CA ASN A 65 7.586 -16.177 -0.296 1.00 0.00 C ATOM 1001 C ASN A 65 8.856 -16.816 0.298 1.00 0.00 C ATOM 1002 O ASN A 65 8.862 -18.013 0.592 1.00 0.00 O ATOM 1003 CB ASN A 65 7.672 -16.215 -1.854 1.00 0.00 C ATOM 1004 CG ASN A 65 6.317 -16.050 -2.546 1.00 0.00 C ATOM 1005 OD1 ASN A 65 6.013 -14.857 -3.028 1.00 0.00 O flip ATOM 1006 ND2 ASN A 65 5.564 -17.011 -2.676 1.00 0.00 N flip ATOM 0 H ASN A 65 7.265 -14.101 -0.514 1.00 0.00 H new ATOM 0 HA ASN A 65 6.724 -16.762 0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.342 -15.424 -2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.115 -17.162 -2.162 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.826 -17.919 -2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.677 -16.901 -3.167 1.00 0.00 H new ATOM 1013 N ASP A 66 9.931 -16.025 0.469 1.00 0.00 N ATOM 1014 CA ASP A 66 11.220 -16.524 1.003 1.00 0.00 C ATOM 1015 C ASP A 66 11.252 -16.556 2.543 1.00 0.00 C ATOM 1016 O ASP A 66 12.238 -17.014 3.123 1.00 0.00 O ATOM 1017 CB ASP A 66 12.406 -15.668 0.474 1.00 0.00 C ATOM 1018 CG ASP A 66 12.652 -15.824 -1.033 1.00 0.00 C ATOM 1019 OD1 ASP A 66 13.022 -16.940 -1.470 1.00 0.00 O ATOM 1020 OD2 ASP A 66 12.502 -14.842 -1.783 1.00 0.00 O ATOM 0 H ASP A 66 9.936 -15.030 0.244 1.00 0.00 H new ATOM 0 HA ASP A 66 11.323 -17.550 0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.213 -14.618 0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.312 -15.946 1.012 1.00 0.00 H new ATOM 1025 N GLY A 67 10.186 -16.075 3.206 1.00 0.00 N ATOM 1026 CA GLY A 67 10.134 -15.997 4.671 1.00 0.00 C ATOM 1027 C GLY A 67 10.996 -14.871 5.245 1.00 0.00 C ATOM 1028 O GLY A 67 11.345 -14.891 6.428 1.00 0.00 O ATOM 0 H GLY A 67 9.344 -15.733 2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.100 -15.850 4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.463 -16.948 5.091 1.00 0.00 H new ATOM 1032 N LYS A 68 11.340 -13.888 4.391 1.00 0.00 N ATOM 1033 CA LYS A 68 12.187 -12.742 4.772 1.00 0.00 C ATOM 1034 C LYS A 68 11.332 -11.677 5.465 1.00 0.00 C ATOM 1035 O LYS A 68 11.576 -11.321 6.621 1.00 0.00 O ATOM 1036 CB LYS A 68 12.886 -12.144 3.518 1.00 0.00 C ATOM 1037 CG LYS A 68 13.768 -13.136 2.727 1.00 0.00 C ATOM 1038 CD LYS A 68 14.926 -13.739 3.564 1.00 0.00 C ATOM 1039 CE LYS A 68 15.936 -12.683 4.056 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.099 -13.293 4.738 1.00 0.00 N ATOM 0 H LYS A 68 11.038 -13.866 3.417 1.00 0.00 H new ATOM 0 HA LYS A 68 12.958 -13.084 5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.122 -11.747 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.503 -11.302 3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.143 -13.946 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.185 -12.626 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.509 -14.262 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.451 -14.482 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.283 -12.093 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.436 -11.996 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.750 -12.545 5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.772 -13.835 5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.593 -13.929 4.080 1.00 0.00 H new ATOM 1054 N ALA A 69 10.318 -11.193 4.738 1.00 0.00 N ATOM 1055 CA ALA A 69 9.357 -10.196 5.228 1.00 0.00 C ATOM 1056 C ALA A 69 7.988 -10.839 5.432 1.00 0.00 C ATOM 1057 O ALA A 69 7.713 -11.910 4.890 1.00 0.00 O ATOM 1058 CB ALA A 69 9.245 -9.039 4.229 1.00 0.00 C ATOM 0 H ALA A 69 10.139 -11.487 3.778 1.00 0.00 H new ATOM 0 HA ALA A 69 9.711 -9.809 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.530 -8.305 4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.220 -8.567 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.905 -9.421 3.266 1.00 0.00 H new ATOM 1064 N THR A 70 7.141 -10.169 6.213 1.00 0.00 N ATOM 1065 CA THR A 70 5.751 -10.594 6.438 1.00 0.00 C ATOM 1066 C THR A 70 4.793 -9.680 5.661 1.00 0.00 C ATOM 1067 O THR A 70 5.176 -8.590 5.198 1.00 0.00 O ATOM 1068 CB THR A 70 5.382 -10.566 7.956 1.00 0.00 C ATOM 1069 OG1 THR A 70 5.628 -9.250 8.490 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.177 -11.619 8.753 1.00 0.00 C ATOM 0 H THR A 70 7.395 -9.315 6.710 1.00 0.00 H new ATOM 0 HA THR A 70 5.655 -11.620 6.083 1.00 0.00 H new ATOM 0 HB THR A 70 4.324 -10.809 8.052 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.549 -9.273 9.467 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.894 -11.570 9.804 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.956 -12.613 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.244 -11.420 8.655 1.00 0.00 H new ATOM 1078 N THR A 71 3.542 -10.143 5.537 1.00 0.00 N ATOM 1079 CA THR A 71 2.460 -9.338 4.962 1.00 0.00 C ATOM 1080 C THR A 71 2.165 -8.116 5.865 1.00 0.00 C ATOM 1081 O THR A 71 1.749 -7.076 5.386 1.00 0.00 O ATOM 1082 CB THR A 71 1.164 -10.182 4.758 1.00 0.00 C ATOM 1083 OG1 THR A 71 0.663 -10.634 6.028 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.407 -11.393 3.837 1.00 0.00 C ATOM 0 H THR A 71 3.255 -11.077 5.830 1.00 0.00 H new ATOM 0 HA THR A 71 2.788 -8.990 3.983 1.00 0.00 H new ATOM 0 HB THR A 71 0.427 -9.538 4.279 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.151 -11.161 5.890 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.480 -11.954 3.721 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.745 -11.046 2.861 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.168 -12.037 4.277 1.00 0.00 H new ATOM 1092 N GLU A 72 2.396 -8.278 7.181 1.00 0.00 N ATOM 1093 CA GLU A 72 2.243 -7.199 8.178 1.00 0.00 C ATOM 1094 C GLU A 72 3.169 -6.006 7.871 1.00 0.00 C ATOM 1095 O GLU A 72 2.741 -4.849 7.920 1.00 0.00 O ATOM 1096 CB GLU A 72 2.538 -7.753 9.593 1.00 0.00 C ATOM 1097 CG GLU A 72 2.426 -6.719 10.734 1.00 0.00 C ATOM 1098 CD GLU A 72 2.708 -7.321 12.114 1.00 0.00 C ATOM 1099 OE1 GLU A 72 1.771 -7.870 12.739 1.00 0.00 O ATOM 1100 OE2 GLU A 72 3.871 -7.266 12.573 1.00 0.00 O ATOM 0 H GLU A 72 2.696 -9.165 7.586 1.00 0.00 H new ATOM 0 HA GLU A 72 1.215 -6.838 8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.849 -8.573 9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.544 -8.172 9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.126 -5.904 10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.425 -6.287 10.729 1.00 0.00 H new ATOM 1107 N GLN A 73 4.434 -6.315 7.540 1.00 0.00 N ATOM 1108 CA GLN A 73 5.481 -5.302 7.308 1.00 0.00 C ATOM 1109 C GLN A 73 5.106 -4.320 6.174 1.00 0.00 C ATOM 1110 O GLN A 73 5.482 -3.143 6.213 1.00 0.00 O ATOM 1111 CB GLN A 73 6.832 -6.000 7.011 1.00 0.00 C ATOM 1112 CG GLN A 73 8.030 -5.034 6.890 1.00 0.00 C ATOM 1113 CD GLN A 73 9.371 -5.738 6.714 1.00 0.00 C ATOM 1114 OE1 GLN A 73 10.064 -6.042 7.684 1.00 0.00 O ATOM 1115 NE2 GLN A 73 9.743 -6.005 5.479 1.00 0.00 N ATOM 0 H GLN A 73 4.761 -7.274 7.425 1.00 0.00 H new ATOM 0 HA GLN A 73 5.576 -4.708 8.217 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.038 -6.719 7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.740 -6.565 6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.865 -4.369 6.042 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.072 -4.409 7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.144 -5.739 4.697 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.630 -6.478 5.304 1.00 0.00 H new ATOM 1124 N TYR A 74 4.372 -4.820 5.164 1.00 0.00 N ATOM 1125 CA TYR A 74 3.956 -4.007 4.006 1.00 0.00 C ATOM 1126 C TYR A 74 2.445 -3.689 4.035 1.00 0.00 C ATOM 1127 O TYR A 74 2.061 -2.537 4.187 1.00 0.00 O ATOM 1128 CB TYR A 74 4.365 -4.731 2.697 1.00 0.00 C ATOM 1129 CG TYR A 74 5.890 -4.906 2.570 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.725 -3.789 2.527 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.493 -6.168 2.513 1.00 0.00 C ATOM 1132 CE1 TYR A 74 8.090 -3.916 2.427 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.865 -6.294 2.406 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.657 -5.164 2.369 1.00 0.00 C ATOM 1135 OH TYR A 74 10.025 -5.281 2.283 1.00 0.00 O ATOM 0 H TYR A 74 4.053 -5.788 5.126 1.00 0.00 H new ATOM 0 HA TYR A 74 4.468 -3.046 4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.886 -5.710 2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.995 -4.165 1.842 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.289 -2.802 2.573 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.878 -7.055 2.553 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.715 -3.036 2.394 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.316 -7.274 2.351 1.00 0.00 H new ATOM 0 HH TYR A 74 10.288 -6.202 2.490 1.00 0.00 H new ATOM 1145 N PHE A 75 1.612 -4.733 3.920 1.00 0.00 N ATOM 1146 CA PHE A 75 0.150 -4.630 3.664 1.00 0.00 C ATOM 1147 C PHE A 75 -0.661 -3.883 4.768 1.00 0.00 C ATOM 1148 O PHE A 75 -1.772 -3.424 4.476 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.450 -6.042 3.411 1.00 0.00 C ATOM 1150 CG PHE A 75 0.063 -6.757 2.147 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.357 -7.280 2.085 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.756 -6.918 1.027 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.811 -7.936 0.954 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.300 -7.574 -0.103 1.00 0.00 C ATOM 1155 CZ PHE A 75 0.983 -8.081 -0.142 1.00 0.00 C ATOM 0 H PHE A 75 1.933 -5.698 4.003 1.00 0.00 H new ATOM 0 HA PHE A 75 0.054 -4.010 2.773 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.236 -6.670 4.276 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.534 -5.951 3.343 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.015 -7.170 2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.761 -6.524 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.814 -8.335 0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.950 -7.690 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.338 -8.589 -1.026 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.148 -3.780 6.028 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.792 -2.901 7.059 1.00 0.00 C ATOM 1167 C VAL A 76 -0.740 -1.449 6.560 1.00 0.00 C ATOM 1168 O VAL A 76 0.319 -0.988 6.205 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.117 -2.988 8.484 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.773 -2.005 9.488 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.167 -4.418 9.046 1.00 0.00 C ATOM 0 H VAL A 76 0.683 -4.276 6.351 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.817 -3.251 7.185 1.00 0.00 H new ATOM 0 HB VAL A 76 0.927 -2.703 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.282 -2.093 10.457 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.668 -0.985 9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.831 -2.245 9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.307 -4.440 10.028 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.205 -4.737 9.137 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.362 -5.092 8.373 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.881 -0.741 6.569 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.053 0.533 5.842 1.00 0.00 C ATOM 1183 C LEU A 77 -1.081 1.642 6.304 1.00 0.00 C ATOM 1184 O LEU A 77 -0.609 2.418 5.474 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.524 1.010 5.943 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.606 -0.027 5.486 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -6.006 0.603 5.429 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.228 -0.696 4.142 1.00 0.00 C ATOM 0 H LEU A 77 -2.713 -1.034 7.081 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.805 0.335 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.727 1.287 6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.636 1.913 5.343 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.635 -0.813 6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.729 -0.147 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.280 0.972 6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.004 1.431 4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.003 -1.408 3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.137 0.067 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.277 -1.218 4.250 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.807 1.724 7.628 1.00 0.00 N ATOM 1201 CA LYS A 78 0.227 2.655 8.170 1.00 0.00 C ATOM 1202 C LYS A 78 1.650 2.285 7.675 1.00 0.00 C ATOM 1203 O LYS A 78 2.459 3.168 7.365 1.00 0.00 O ATOM 1204 CB LYS A 78 0.179 2.696 9.725 1.00 0.00 C ATOM 1205 CG LYS A 78 0.462 1.348 10.426 1.00 0.00 C ATOM 1206 CD LYS A 78 0.304 1.416 11.960 1.00 0.00 C ATOM 1207 CE LYS A 78 0.525 0.047 12.640 1.00 0.00 C ATOM 1208 NZ LYS A 78 1.900 -0.484 12.428 1.00 0.00 N ATOM 0 H LYS A 78 -1.279 1.165 8.339 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.004 3.651 7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.905 3.430 10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.805 3.048 10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.215 0.591 10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.475 1.026 10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.015 2.137 12.363 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.694 1.782 12.203 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.338 0.143 13.710 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.200 -0.668 12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.989 -1.411 12.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.079 -0.587 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.593 0.175 12.837 1.00 0.00 H new ATOM 1222 N ASN A 79 1.930 0.970 7.585 1.00 0.00 N ATOM 1223 CA ASN A 79 3.235 0.440 7.127 1.00 0.00 C ATOM 1224 C ASN A 79 3.418 0.708 5.629 1.00 0.00 C ATOM 1225 O ASN A 79 4.461 1.200 5.210 1.00 0.00 O ATOM 1226 CB ASN A 79 3.344 -1.083 7.413 1.00 0.00 C ATOM 1227 CG ASN A 79 3.436 -1.435 8.900 1.00 0.00 C ATOM 1228 OD1 ASN A 79 2.915 -0.727 9.757 1.00 0.00 O ATOM 1229 ND2 ASN A 79 4.088 -2.545 9.210 1.00 0.00 N ATOM 0 H ASN A 79 1.258 0.242 7.828 1.00 0.00 H new ATOM 0 HA ASN A 79 4.024 0.951 7.679 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.476 -1.585 6.985 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.224 -1.476 6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.168 -2.834 10.185 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.510 -3.111 8.474 1.00 0.00 H new ATOM 1236 N LEU A 80 2.384 0.362 4.855 1.00 0.00 N ATOM 1237 CA LEU A 80 2.260 0.632 3.417 1.00 0.00 C ATOM 1238 C LEU A 80 2.499 2.120 3.118 1.00 0.00 C ATOM 1239 O LEU A 80 3.315 2.462 2.267 1.00 0.00 O ATOM 1240 CB LEU A 80 0.839 0.190 2.952 1.00 0.00 C ATOM 1241 CG LEU A 80 0.493 0.363 1.442 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.488 -0.395 0.534 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -0.970 -0.063 1.167 1.00 0.00 C ATOM 0 H LEU A 80 1.576 -0.135 5.229 1.00 0.00 H new ATOM 0 HA LEU A 80 3.015 0.068 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.713 -0.862 3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.105 0.750 3.532 1.00 0.00 H new ATOM 0 HG LEU A 80 0.589 1.421 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.212 -0.249 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.495 -0.013 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.460 -1.458 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.193 0.065 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.102 -1.109 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.646 0.555 1.757 1.00 0.00 H new ATOM 1255 N ALA A 81 1.823 2.982 3.894 1.00 0.00 N ATOM 1256 CA ALA A 81 1.940 4.449 3.778 1.00 0.00 C ATOM 1257 C ALA A 81 3.365 4.933 4.094 1.00 0.00 C ATOM 1258 O ALA A 81 3.806 5.932 3.557 1.00 0.00 O ATOM 1259 CB ALA A 81 0.922 5.145 4.693 1.00 0.00 C ATOM 0 H ALA A 81 1.176 2.682 4.624 1.00 0.00 H new ATOM 0 HA ALA A 81 1.723 4.714 2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.023 6.226 4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.087 4.847 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.106 4.857 5.728 1.00 0.00 H new ATOM 1265 N ALA A 82 4.056 4.206 4.986 1.00 0.00 N ATOM 1266 CA ALA A 82 5.466 4.501 5.337 1.00 0.00 C ATOM 1267 C ALA A 82 6.425 4.113 4.186 1.00 0.00 C ATOM 1268 O ALA A 82 7.368 4.851 3.880 1.00 0.00 O ATOM 1269 CB ALA A 82 5.860 3.774 6.631 1.00 0.00 C ATOM 0 H ALA A 82 3.665 3.405 5.482 1.00 0.00 H new ATOM 0 HA ALA A 82 5.553 5.576 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.898 4.001 6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.215 4.105 7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.747 2.699 6.493 1.00 0.00 H new ATOM 1275 N ARG A 83 6.177 2.938 3.572 1.00 0.00 N ATOM 1276 CA ARG A 83 6.953 2.436 2.404 1.00 0.00 C ATOM 1277 C ARG A 83 6.844 3.392 1.201 1.00 0.00 C ATOM 1278 O ARG A 83 7.817 3.642 0.489 1.00 0.00 O ATOM 1279 CB ARG A 83 6.444 1.027 1.984 1.00 0.00 C ATOM 1280 CG ARG A 83 6.475 -0.051 3.091 1.00 0.00 C ATOM 1281 CD ARG A 83 7.879 -0.235 3.692 1.00 0.00 C ATOM 1282 NE ARG A 83 8.871 -0.624 2.668 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.196 -0.678 2.858 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.748 -0.320 4.014 1.00 0.00 N ATOM 1285 NH2 ARG A 83 10.973 -1.073 1.871 1.00 0.00 N ATOM 0 H ARG A 83 5.434 2.305 3.867 1.00 0.00 H new ATOM 0 HA ARG A 83 7.998 2.377 2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.420 1.123 1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.046 0.678 1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.778 0.224 3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.132 -1.000 2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.194 0.693 4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.843 -0.997 4.471 1.00 0.00 H new ATOM 0 HE ARG A 83 8.519 -0.871 1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.160 0.005 4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.760 -0.370 4.133 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.565 -1.334 0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.983 -1.118 2.004 1.00 0.00 H new ATOM 1299 N ILE A 84 5.632 3.901 1.007 1.00 0.00 N ATOM 1300 CA ILE A 84 5.282 4.825 -0.081 1.00 0.00 C ATOM 1301 C ILE A 84 5.838 6.229 0.208 1.00 0.00 C ATOM 1302 O ILE A 84 6.365 6.889 -0.693 1.00 0.00 O ATOM 1303 CB ILE A 84 3.723 4.835 -0.242 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.243 3.429 -0.725 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.218 5.961 -1.168 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.750 3.222 -0.663 1.00 0.00 C ATOM 0 H ILE A 84 4.842 3.681 1.614 1.00 0.00 H new ATOM 0 HA ILE A 84 5.730 4.495 -1.018 1.00 0.00 H new ATOM 0 HB ILE A 84 3.287 5.049 0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.575 3.279 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.728 2.665 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.131 5.914 -1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.514 6.928 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.652 5.838 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.507 2.220 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.409 3.337 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.254 3.960 -1.294 1.00 0.00 H new ATOM 1318 N ASP A 85 5.703 6.664 1.476 1.00 0.00 N ATOM 1319 CA ASP A 85 6.351 7.891 2.009 1.00 0.00 C ATOM 1320 C ASP A 85 7.865 7.893 1.724 1.00 0.00 C ATOM 1321 O ASP A 85 8.443 8.932 1.415 1.00 0.00 O ATOM 1322 CB ASP A 85 6.096 7.995 3.533 1.00 0.00 C ATOM 1323 CG ASP A 85 6.638 9.280 4.176 1.00 0.00 C ATOM 1324 OD1 ASP A 85 5.897 10.286 4.230 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.804 9.293 4.640 1.00 0.00 O ATOM 0 H ASP A 85 5.138 6.174 2.169 1.00 0.00 H new ATOM 0 HA ASP A 85 5.915 8.754 1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.023 7.936 3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.551 7.136 4.026 1.00 0.00 H new ATOM 1330 N GLU A 86 8.471 6.705 1.836 1.00 0.00 N ATOM 1331 CA GLU A 86 9.906 6.516 1.571 1.00 0.00 C ATOM 1332 C GLU A 86 10.230 6.759 0.075 1.00 0.00 C ATOM 1333 O GLU A 86 11.219 7.413 -0.262 1.00 0.00 O ATOM 1334 CB GLU A 86 10.317 5.078 1.970 1.00 0.00 C ATOM 1335 CG GLU A 86 11.836 4.815 1.962 1.00 0.00 C ATOM 1336 CD GLU A 86 12.220 3.327 1.904 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.845 2.561 2.822 1.00 0.00 O ATOM 1338 OE2 GLU A 86 12.916 2.916 0.942 1.00 0.00 O ATOM 0 H GLU A 86 7.986 5.851 2.111 1.00 0.00 H new ATOM 0 HA GLU A 86 10.468 7.239 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.931 4.868 2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.837 4.376 1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.277 5.326 1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.274 5.257 2.857 1.00 0.00 H new ATOM 1345 N LEU A 87 9.386 6.194 -0.804 1.00 0.00 N ATOM 1346 CA LEU A 87 9.543 6.290 -2.270 1.00 0.00 C ATOM 1347 C LEU A 87 9.308 7.732 -2.788 1.00 0.00 C ATOM 1348 O LEU A 87 10.015 8.186 -3.695 1.00 0.00 O ATOM 1349 CB LEU A 87 8.593 5.280 -2.971 1.00 0.00 C ATOM 1350 CG LEU A 87 8.841 3.768 -2.654 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.732 2.873 -3.257 1.00 0.00 C ATOM 1352 CD2 LEU A 87 10.249 3.322 -3.125 1.00 0.00 C ATOM 0 H LEU A 87 8.569 5.654 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 87 10.574 6.035 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.567 5.525 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.675 5.423 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 87 8.801 3.647 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.936 1.829 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.767 3.159 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.711 2.999 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.393 2.267 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.337 3.471 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.008 3.914 -2.614 1.00 0.00 H new ATOM 1364 N VAL A 88 8.316 8.455 -2.213 1.00 0.00 N ATOM 1365 CA VAL A 88 8.045 9.870 -2.590 1.00 0.00 C ATOM 1366 C VAL A 88 9.138 10.803 -2.032 1.00 0.00 C ATOM 1367 O VAL A 88 9.469 11.827 -2.639 1.00 0.00 O ATOM 1368 CB VAL A 88 6.608 10.370 -2.147 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.503 9.438 -2.695 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.477 10.533 -0.614 1.00 0.00 C ATOM 0 H VAL A 88 7.694 8.089 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 88 8.064 9.906 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 88 6.477 11.361 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.527 9.804 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.547 9.423 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.655 8.429 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.472 10.878 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.660 9.574 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.206 11.262 -0.262 1.00 0.00 H new ATOM 1380 N ALA A 89 9.696 10.419 -0.869 1.00 0.00 N ATOM 1381 CA ALA A 89 10.832 11.119 -0.250 1.00 0.00 C ATOM 1382 C ALA A 89 12.079 10.979 -1.132 1.00 0.00 C ATOM 1383 O ALA A 89 12.831 11.933 -1.307 1.00 0.00 O ATOM 1384 CB ALA A 89 11.100 10.550 1.154 1.00 0.00 C ATOM 0 H ALA A 89 9.370 9.614 -0.334 1.00 0.00 H new ATOM 0 HA ALA A 89 10.589 12.177 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.943 11.074 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.215 10.684 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.332 9.488 1.078 1.00 0.00 H new ATOM 1390 N ALA A 90 12.257 9.763 -1.678 1.00 0.00 N ATOM 1391 CA ALA A 90 13.373 9.421 -2.580 1.00 0.00 C ATOM 1392 C ALA A 90 13.458 10.351 -3.811 1.00 0.00 C ATOM 1393 O ALA A 90 14.524 10.910 -4.095 1.00 0.00 O ATOM 1394 CB ALA A 90 13.265 7.957 -3.025 1.00 0.00 C ATOM 0 H ALA A 90 11.624 8.982 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 90 14.293 9.565 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.094 7.717 -3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.301 7.307 -2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.322 7.805 -3.551 1.00 0.00 H new