USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 594 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 26 ASN : amide:sc= -0.0802 K(o=-0.001,f=-0.77) USER MOD Set 1.2: A 27 SER OG : rot 46:sc= 0.0792 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0396 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.983 X(o=-0.98,f=-1) USER MOD Single : A 17 SER OG : rot 64:sc= 0.0312 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.658 K(o=0.66,f=-0.42) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -4 K(o=-4,f=-2.7) USER MOD Single : A 30 THR OG1 : rot -41:sc= 1.58 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.182 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0987 X(o=-0.099,f=-0.11) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.725 X(o=-0.72,f=-0.42) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -6.27! C(o=-6.3!,f=-4.8!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.697 USER MOD Single : A 67 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.012) USER MOD Single : A 72 TYR OH : rot 150:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.17 K(o=-2.2,f=-0.36) USER MOD Single : A 77 ASN : amide:sc= -2.9 K(o=-2.9,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 5.841 -4.178 -5.236 1.00 0.00 N ATOM 43 CA SER A 3 5.706 -2.743 -5.013 1.00 0.00 C ATOM 44 C SER A 3 5.039 -2.068 -6.208 1.00 0.00 C ATOM 45 O SER A 3 3.877 -1.666 -6.140 1.00 0.00 O ATOM 46 CB SER A 3 7.077 -2.115 -4.758 1.00 0.00 C ATOM 47 OG SER A 3 7.473 -2.284 -3.408 1.00 0.00 O ATOM 0 HA SER A 3 5.077 -2.594 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.817 -2.570 -5.417 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.045 -1.053 -5.000 1.00 0.00 H new ATOM 0 HG SER A 3 8.353 -1.875 -3.272 1.00 0.00 H new ATOM 53 N THR A 4 5.783 -1.947 -7.303 1.00 0.00 N ATOM 54 CA THR A 4 5.266 -1.320 -8.513 1.00 0.00 C ATOM 55 C THR A 4 3.992 -2.009 -8.987 1.00 0.00 C ATOM 56 O THR A 4 3.171 -1.408 -9.682 1.00 0.00 O ATOM 57 CB THR A 4 6.306 -1.349 -9.649 1.00 0.00 C ATOM 58 OG1 THR A 4 5.847 -0.562 -10.753 1.00 0.00 O ATOM 59 CG2 THR A 4 6.564 -2.776 -10.109 1.00 0.00 C ATOM 0 H THR A 4 6.746 -2.275 -7.377 1.00 0.00 H new ATOM 0 HA THR A 4 5.043 -0.283 -8.262 1.00 0.00 H new ATOM 0 HB THR A 4 7.239 -0.932 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.514 -0.584 -11.470 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.302 -2.772 -10.912 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.941 -3.365 -9.273 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.635 -3.215 -10.473 1.00 0.00 H new ATOM 67 N PHE A 5 3.831 -3.272 -8.608 1.00 0.00 N ATOM 68 CA PHE A 5 2.656 -4.043 -8.996 1.00 0.00 C ATOM 69 C PHE A 5 1.375 -3.268 -8.699 1.00 0.00 C ATOM 70 O PHE A 5 0.388 -3.378 -9.427 1.00 0.00 O ATOM 71 CB PHE A 5 2.635 -5.385 -8.261 1.00 0.00 C ATOM 72 CG PHE A 5 1.573 -6.324 -8.757 1.00 0.00 C ATOM 73 CD1 PHE A 5 1.311 -6.441 -10.113 1.00 0.00 C ATOM 74 CD2 PHE A 5 0.835 -7.089 -7.868 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.335 -7.304 -10.573 1.00 0.00 C ATOM 76 CE2 PHE A 5 -0.142 -7.954 -8.323 1.00 0.00 C ATOM 77 CZ PHE A 5 -0.394 -8.061 -9.677 1.00 0.00 C ATOM 0 H PHE A 5 4.500 -3.784 -8.032 1.00 0.00 H new ATOM 0 HA PHE A 5 2.710 -4.225 -10.069 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.609 -5.863 -8.366 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.481 -5.205 -7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.877 -5.850 -10.819 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.025 -7.008 -6.808 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.142 -7.387 -11.632 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.709 -8.546 -7.620 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.159 -8.735 -10.034 1.00 0.00 H new ATOM 87 N ASP A 6 1.400 -2.485 -7.627 1.00 0.00 N ATOM 88 CA ASP A 6 0.242 -1.691 -7.233 1.00 0.00 C ATOM 89 C ASP A 6 -0.181 -0.752 -8.358 1.00 0.00 C ATOM 90 O ASP A 6 -1.186 -0.985 -9.030 1.00 0.00 O ATOM 91 CB ASP A 6 0.554 -0.887 -5.970 1.00 0.00 C ATOM 92 CG ASP A 6 -0.186 -1.408 -4.754 1.00 0.00 C ATOM 93 OD1 ASP A 6 -1.434 -1.353 -4.750 1.00 0.00 O ATOM 94 OD2 ASP A 6 0.482 -1.870 -3.805 1.00 0.00 O ATOM 0 H ASP A 6 2.209 -2.383 -7.015 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.582 -2.373 -7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.627 -0.917 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.289 0.158 -6.133 1.00 0.00 H new ATOM 99 N ASP A 7 0.592 0.310 -8.557 1.00 0.00 N ATOM 100 CA ASP A 7 0.298 1.285 -9.601 1.00 0.00 C ATOM 101 C ASP A 7 0.091 0.596 -10.946 1.00 0.00 C ATOM 102 O ASP A 7 -0.652 1.085 -11.797 1.00 0.00 O ATOM 103 CB ASP A 7 1.430 2.308 -9.707 1.00 0.00 C ATOM 104 CG ASP A 7 1.585 3.133 -8.444 1.00 0.00 C ATOM 105 OD1 ASP A 7 0.578 3.716 -7.989 1.00 0.00 O ATOM 106 OD2 ASP A 7 2.712 3.195 -7.911 1.00 0.00 O ATOM 0 H ASP A 7 1.427 0.518 -8.009 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.624 1.801 -9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.366 1.790 -9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.238 2.972 -10.550 1.00 0.00 H new ATOM 111 N ILE A 8 0.753 -0.541 -11.130 1.00 0.00 N ATOM 112 CA ILE A 8 0.642 -1.297 -12.371 1.00 0.00 C ATOM 113 C ILE A 8 -0.729 -1.955 -12.493 1.00 0.00 C ATOM 114 O ILE A 8 -1.294 -2.042 -13.584 1.00 0.00 O ATOM 115 CB ILE A 8 1.730 -2.383 -12.469 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.076 -1.754 -12.835 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.336 -3.437 -13.492 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.224 -2.739 -12.830 1.00 0.00 C ATOM 0 H ILE A 8 1.372 -0.959 -10.435 1.00 0.00 H new ATOM 0 HA ILE A 8 0.776 -0.586 -13.186 1.00 0.00 H new ATOM 0 HB ILE A 8 1.828 -2.867 -11.498 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.000 -1.302 -13.824 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.295 -0.950 -12.133 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.115 -4.197 -13.550 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.397 -3.902 -13.192 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.214 -2.968 -14.468 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.146 -2.224 -13.098 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.327 -3.173 -11.835 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.027 -3.531 -13.553 1.00 0.00 H new ATOM 130 N LYS A 9 -1.260 -2.416 -11.366 1.00 0.00 N ATOM 131 CA LYS A 9 -2.567 -3.063 -11.344 1.00 0.00 C ATOM 132 C LYS A 9 -3.681 -2.049 -11.584 1.00 0.00 C ATOM 133 O LYS A 9 -4.774 -2.404 -12.024 1.00 0.00 O ATOM 134 CB LYS A 9 -2.786 -3.770 -10.004 1.00 0.00 C ATOM 135 CG LYS A 9 -3.531 -2.924 -8.985 1.00 0.00 C ATOM 136 CD LYS A 9 -3.173 -3.322 -7.563 1.00 0.00 C ATOM 137 CE LYS A 9 -4.414 -3.650 -6.747 1.00 0.00 C ATOM 138 NZ LYS A 9 -4.091 -4.481 -5.555 1.00 0.00 N ATOM 0 H LYS A 9 -0.805 -2.354 -10.455 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.593 -3.801 -12.146 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.343 -4.691 -10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.819 -4.054 -9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.293 -1.872 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.605 -3.033 -9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.510 -4.187 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.625 -2.511 -7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.892 -2.725 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.132 -4.179 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.963 -4.683 -5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.658 -5.375 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.426 -3.967 -4.943 1.00 0.00 H new ATOM 152 N LYS A 10 -3.395 -0.784 -11.294 1.00 0.00 N ATOM 153 CA LYS A 10 -4.371 0.283 -11.480 1.00 0.00 C ATOM 154 C LYS A 10 -4.436 0.712 -12.943 1.00 0.00 C ATOM 155 O LYS A 10 -5.519 0.887 -13.501 1.00 0.00 O ATOM 156 CB LYS A 10 -4.019 1.485 -10.601 1.00 0.00 C ATOM 157 CG LYS A 10 -4.160 2.820 -11.310 1.00 0.00 C ATOM 158 CD LYS A 10 -3.854 3.981 -10.379 1.00 0.00 C ATOM 159 CE LYS A 10 -4.747 5.178 -10.668 1.00 0.00 C ATOM 160 NZ LYS A 10 -4.247 5.978 -11.820 1.00 0.00 N ATOM 0 H LYS A 10 -2.495 -0.473 -10.929 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.349 -0.099 -11.187 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.662 1.481 -9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.994 1.378 -10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.486 2.851 -12.166 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.173 2.921 -11.699 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.991 3.665 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.809 4.271 -10.488 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.760 4.833 -10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.803 5.812 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.883 6.784 -11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.291 6.328 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.218 5.381 -12.671 1.00 0.00 H new ATOM 174 N ILE A 11 -3.270 0.878 -13.558 1.00 0.00 N ATOM 175 CA ILE A 11 -3.195 1.284 -14.956 1.00 0.00 C ATOM 176 C ILE A 11 -3.771 0.209 -15.871 1.00 0.00 C ATOM 177 O ILE A 11 -4.444 0.514 -16.856 1.00 0.00 O ATOM 178 CB ILE A 11 -1.744 1.580 -15.379 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.844 0.382 -15.067 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.232 2.830 -14.680 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.610 0.611 -15.417 1.00 0.00 C ATOM 0 H ILE A 11 -2.364 0.738 -13.110 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.785 2.195 -15.053 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.724 1.755 -16.455 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.921 0.147 -14.005 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.208 -0.488 -15.614 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.205 3.025 -14.990 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.860 3.680 -14.948 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.263 2.682 -13.601 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.188 -0.279 -15.169 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.699 0.816 -16.484 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.991 1.461 -14.851 1.00 0.00 H new ATOM 193 N ILE A 12 -3.503 -1.049 -15.539 1.00 0.00 N ATOM 194 CA ILE A 12 -3.997 -2.169 -16.330 1.00 0.00 C ATOM 195 C ILE A 12 -5.481 -2.412 -16.073 1.00 0.00 C ATOM 196 O ILE A 12 -6.219 -2.818 -16.970 1.00 0.00 O ATOM 197 CB ILE A 12 -3.217 -3.462 -16.025 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.386 -3.850 -14.555 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.745 -3.284 -16.365 1.00 0.00 C ATOM 200 CD1 ILE A 12 -4.421 -4.931 -14.330 1.00 0.00 C ATOM 0 H ILE A 12 -2.947 -1.318 -14.728 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.850 -1.904 -17.377 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.618 -4.266 -16.642 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.427 -4.190 -14.165 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.667 -2.965 -13.984 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.207 -4.206 -16.144 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.642 -3.048 -17.424 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.330 -2.470 -15.770 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.487 -5.155 -13.265 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.391 -4.587 -14.689 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.131 -5.831 -14.873 1.00 0.00 H new ATOM 212 N SER A 13 -5.911 -2.158 -14.841 1.00 0.00 N ATOM 213 CA SER A 13 -7.307 -2.351 -14.464 1.00 0.00 C ATOM 214 C SER A 13 -8.208 -1.358 -15.192 1.00 0.00 C ATOM 215 O SER A 13 -9.343 -1.675 -15.547 1.00 0.00 O ATOM 216 CB SER A 13 -7.475 -2.195 -12.952 1.00 0.00 C ATOM 217 OG SER A 13 -8.842 -2.059 -12.602 1.00 0.00 O ATOM 0 H SER A 13 -5.313 -1.818 -14.087 1.00 0.00 H new ATOM 0 HA SER A 13 -7.600 -3.361 -14.753 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.051 -3.061 -12.445 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.920 -1.322 -12.609 1.00 0.00 H new ATOM 0 HG SER A 13 -8.923 -1.962 -11.630 1.00 0.00 H new ATOM 223 N LYS A 14 -7.693 -0.152 -15.412 1.00 0.00 N ATOM 224 CA LYS A 14 -8.448 0.889 -16.098 1.00 0.00 C ATOM 225 C LYS A 14 -8.237 0.810 -17.607 1.00 0.00 C ATOM 226 O LYS A 14 -9.098 1.218 -18.385 1.00 0.00 O ATOM 227 CB LYS A 14 -8.033 2.270 -15.586 1.00 0.00 C ATOM 228 CG LYS A 14 -8.611 3.418 -16.396 1.00 0.00 C ATOM 229 CD LYS A 14 -7.658 3.862 -17.492 1.00 0.00 C ATOM 230 CE LYS A 14 -7.939 5.292 -17.930 1.00 0.00 C ATOM 231 NZ LYS A 14 -8.847 5.342 -19.110 1.00 0.00 N ATOM 0 H LYS A 14 -6.755 0.128 -15.125 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.506 0.733 -15.888 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.349 2.373 -14.548 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.945 2.340 -15.597 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.559 3.111 -16.839 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.825 4.259 -15.736 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.631 3.785 -17.136 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.750 3.194 -18.348 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.387 5.844 -17.103 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.000 5.789 -18.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.014 6.333 -19.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.409 4.837 -19.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.753 4.891 -18.870 1.00 0.00 H new ATOM 245 N GLN A 15 -7.086 0.282 -18.011 1.00 0.00 N ATOM 246 CA GLN A 15 -6.764 0.149 -19.427 1.00 0.00 C ATOM 247 C GLN A 15 -7.602 -0.947 -20.076 1.00 0.00 C ATOM 248 O GLN A 15 -8.413 -0.679 -20.964 1.00 0.00 O ATOM 249 CB GLN A 15 -5.276 -0.158 -19.606 1.00 0.00 C ATOM 250 CG GLN A 15 -4.419 1.081 -19.806 1.00 0.00 C ATOM 251 CD GLN A 15 -4.913 1.955 -20.942 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.347 1.457 -21.981 1.00 0.00 O ATOM 253 NE2 GLN A 15 -4.850 3.268 -20.750 1.00 0.00 N ATOM 0 H GLN A 15 -6.362 -0.060 -17.379 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.995 1.095 -19.916 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.918 -0.700 -18.731 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.150 -0.819 -20.464 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.407 1.662 -18.884 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.391 0.779 -20.006 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.483 3.638 -19.873 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.169 3.906 -21.479 1.00 0.00 H new ATOM 262 N LEU A 16 -7.403 -2.182 -19.628 1.00 0.00 N ATOM 263 CA LEU A 16 -8.141 -3.319 -20.166 1.00 0.00 C ATOM 264 C LEU A 16 -9.328 -3.669 -19.274 1.00 0.00 C ATOM 265 O LEU A 16 -10.482 -3.489 -19.661 1.00 0.00 O ATOM 266 CB LEU A 16 -7.218 -4.532 -20.304 1.00 0.00 C ATOM 267 CG LEU A 16 -5.852 -4.267 -20.938 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.849 -3.830 -19.882 1.00 0.00 C ATOM 269 CD2 LEU A 16 -5.354 -5.505 -21.670 1.00 0.00 C ATOM 0 H LEU A 16 -6.737 -2.421 -18.894 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.518 -3.043 -21.151 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.060 -4.958 -19.313 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.731 -5.288 -20.898 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.960 -3.460 -21.663 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.883 -3.646 -20.352 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.200 -2.916 -19.403 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.744 -4.615 -19.133 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.381 -5.298 -22.115 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.262 -6.332 -20.966 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.062 -5.773 -22.454 1.00 0.00 H new ATOM 281 N SER A 17 -9.035 -4.167 -18.076 1.00 0.00 N ATOM 282 CA SER A 17 -10.079 -4.543 -17.129 1.00 0.00 C ATOM 283 C SER A 17 -9.471 -5.053 -15.826 1.00 0.00 C ATOM 284 O SER A 17 -9.585 -4.411 -14.782 1.00 0.00 O ATOM 285 CB SER A 17 -10.986 -5.615 -17.736 1.00 0.00 C ATOM 286 OG SER A 17 -12.304 -5.126 -17.915 1.00 0.00 O ATOM 0 H SER A 17 -8.084 -4.319 -17.739 1.00 0.00 H new ATOM 0 HA SER A 17 -10.674 -3.656 -16.910 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.581 -5.938 -18.695 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.005 -6.490 -17.087 1.00 0.00 H new ATOM 0 HG SER A 17 -12.296 -4.394 -18.567 1.00 0.00 H new ATOM 292 N VAL A 18 -8.825 -6.212 -15.896 1.00 0.00 N ATOM 293 CA VAL A 18 -8.198 -6.809 -14.723 1.00 0.00 C ATOM 294 C VAL A 18 -7.343 -8.011 -15.109 1.00 0.00 C ATOM 295 O VAL A 18 -7.769 -9.157 -14.973 1.00 0.00 O ATOM 296 CB VAL A 18 -9.249 -7.252 -13.688 1.00 0.00 C ATOM 297 CG1 VAL A 18 -9.409 -6.198 -12.604 1.00 0.00 C ATOM 298 CG2 VAL A 18 -10.580 -7.534 -14.369 1.00 0.00 C ATOM 0 H VAL A 18 -8.722 -6.756 -16.752 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.563 -6.042 -14.279 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.904 -8.173 -13.217 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.156 -6.529 -11.882 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.455 -6.049 -12.097 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.731 -5.259 -13.054 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.311 -7.846 -13.623 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.932 -6.631 -14.867 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.451 -8.328 -15.105 1.00 0.00 H new ATOM 308 N GLU A 19 -6.134 -7.740 -15.591 1.00 0.00 N ATOM 309 CA GLU A 19 -5.219 -8.801 -15.997 1.00 0.00 C ATOM 310 C GLU A 19 -3.911 -8.721 -15.214 1.00 0.00 C ATOM 311 O GLU A 19 -2.857 -9.120 -15.706 1.00 0.00 O ATOM 312 CB GLU A 19 -4.934 -8.712 -17.498 1.00 0.00 C ATOM 313 CG GLU A 19 -4.502 -7.328 -17.954 1.00 0.00 C ATOM 314 CD GLU A 19 -3.495 -7.375 -19.086 1.00 0.00 C ATOM 315 OE1 GLU A 19 -3.312 -8.462 -19.673 1.00 0.00 O ATOM 316 OE2 GLU A 19 -2.890 -6.325 -19.385 1.00 0.00 O ATOM 0 H GLU A 19 -5.766 -6.796 -15.710 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.694 -9.758 -15.781 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.155 -9.430 -17.755 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.829 -9.003 -18.047 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.378 -6.765 -18.276 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.070 -6.790 -17.110 1.00 0.00 H new ATOM 323 N GLU A 20 -3.990 -8.201 -13.993 1.00 0.00 N ATOM 324 CA GLU A 20 -2.813 -8.067 -13.143 1.00 0.00 C ATOM 325 C GLU A 20 -2.248 -9.437 -12.777 1.00 0.00 C ATOM 326 O GLU A 20 -1.075 -9.562 -12.423 1.00 0.00 O ATOM 327 CB GLU A 20 -3.161 -7.291 -11.871 1.00 0.00 C ATOM 328 CG GLU A 20 -3.909 -8.116 -10.839 1.00 0.00 C ATOM 329 CD GLU A 20 -5.240 -8.629 -11.355 1.00 0.00 C ATOM 330 OE1 GLU A 20 -6.029 -7.812 -11.874 1.00 0.00 O ATOM 331 OE2 GLU A 20 -5.492 -9.847 -11.240 1.00 0.00 O ATOM 0 H GLU A 20 -4.856 -7.866 -13.571 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.055 -7.517 -13.700 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.242 -6.912 -11.424 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.766 -6.425 -12.138 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.290 -8.961 -10.537 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.078 -7.511 -9.948 1.00 0.00 H new ATOM 338 N ASP A 21 -3.091 -10.460 -12.864 1.00 0.00 N ATOM 339 CA ASP A 21 -2.676 -11.821 -12.543 1.00 0.00 C ATOM 340 C ASP A 21 -2.324 -12.595 -13.809 1.00 0.00 C ATOM 341 O ASP A 21 -2.136 -13.811 -13.775 1.00 0.00 O ATOM 342 CB ASP A 21 -3.784 -12.547 -11.778 1.00 0.00 C ATOM 343 CG ASP A 21 -3.689 -12.333 -10.280 1.00 0.00 C ATOM 344 OD1 ASP A 21 -2.556 -12.214 -9.767 1.00 0.00 O ATOM 345 OD2 ASP A 21 -4.748 -12.283 -9.620 1.00 0.00 O ATOM 0 H ASP A 21 -4.065 -10.373 -13.154 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.787 -11.765 -11.915 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.754 -12.198 -12.131 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.731 -13.614 -11.994 1.00 0.00 H new ATOM 350 N LYS A 22 -2.237 -11.882 -14.927 1.00 0.00 N ATOM 351 CA LYS A 22 -1.907 -12.500 -16.206 1.00 0.00 C ATOM 352 C LYS A 22 -1.138 -11.531 -17.097 1.00 0.00 C ATOM 353 O LYS A 22 -0.975 -11.769 -18.294 1.00 0.00 O ATOM 354 CB LYS A 22 -3.182 -12.961 -16.917 1.00 0.00 C ATOM 355 CG LYS A 22 -4.357 -12.016 -16.732 1.00 0.00 C ATOM 356 CD LYS A 22 -5.114 -11.807 -18.032 1.00 0.00 C ATOM 357 CE LYS A 22 -5.737 -13.102 -18.529 1.00 0.00 C ATOM 358 NZ LYS A 22 -7.206 -12.968 -18.736 1.00 0.00 N ATOM 0 H LYS A 22 -2.391 -10.875 -14.973 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.274 -13.365 -16.010 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.976 -13.067 -17.982 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.458 -13.948 -16.546 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.033 -12.418 -15.977 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.998 -11.056 -16.360 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.894 -11.060 -17.884 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.436 -11.414 -18.790 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.264 -13.396 -19.466 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.543 -13.898 -17.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.593 -13.872 -19.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.661 -12.712 -17.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.391 -12.226 -19.441 1.00 0.00 H new ATOM 372 N ILE A 23 -0.666 -10.438 -16.505 1.00 0.00 N ATOM 373 CA ILE A 23 0.089 -9.435 -17.246 1.00 0.00 C ATOM 374 C ILE A 23 1.510 -9.309 -16.709 1.00 0.00 C ATOM 375 O ILE A 23 2.414 -8.866 -17.417 1.00 0.00 O ATOM 376 CB ILE A 23 -0.595 -8.056 -17.183 1.00 0.00 C ATOM 377 CG1 ILE A 23 0.009 -7.115 -18.226 1.00 0.00 C ATOM 378 CG2 ILE A 23 -0.465 -7.464 -15.788 1.00 0.00 C ATOM 379 CD1 ILE A 23 -0.397 -5.669 -18.043 1.00 0.00 C ATOM 0 H ILE A 23 -0.793 -10.225 -15.516 1.00 0.00 H new ATOM 0 HA ILE A 23 0.123 -9.768 -18.283 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.655 -8.182 -17.406 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.096 -7.187 -18.182 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.293 -7.446 -19.220 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.953 -6.490 -15.759 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.938 -8.129 -15.065 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.590 -7.349 -15.538 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.068 -5.060 -18.818 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.481 -5.583 -18.116 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.071 -5.321 -17.063 1.00 0.00 H new ATOM 391 N GLN A 24 1.700 -9.704 -15.454 1.00 0.00 N ATOM 392 CA GLN A 24 3.013 -9.637 -14.823 1.00 0.00 C ATOM 393 C GLN A 24 3.452 -11.013 -14.333 1.00 0.00 C ATOM 394 O GLN A 24 2.816 -11.604 -13.462 1.00 0.00 O ATOM 395 CB GLN A 24 2.990 -8.650 -13.655 1.00 0.00 C ATOM 396 CG GLN A 24 4.197 -8.765 -12.737 1.00 0.00 C ATOM 397 CD GLN A 24 3.820 -9.169 -11.325 1.00 0.00 C ATOM 398 OE1 GLN A 24 4.358 -8.640 -10.352 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.890 -10.110 -11.206 1.00 0.00 N ATOM 0 H GLN A 24 0.962 -10.073 -14.855 1.00 0.00 H new ATOM 0 HA GLN A 24 3.730 -9.291 -15.568 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.939 -7.635 -14.049 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.084 -8.811 -13.072 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.892 -9.498 -13.147 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.720 -7.809 -12.710 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.471 -10.521 -12.040 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.595 -10.421 -10.281 1.00 0.00 H new ATOM 408 N MET A 25 4.544 -11.516 -14.899 1.00 0.00 N ATOM 409 CA MET A 25 5.069 -12.822 -14.519 1.00 0.00 C ATOM 410 C MET A 25 6.499 -12.704 -14.001 1.00 0.00 C ATOM 411 O MET A 25 6.743 -12.791 -12.798 1.00 0.00 O ATOM 412 CB MET A 25 5.023 -13.781 -15.710 1.00 0.00 C ATOM 413 CG MET A 25 3.614 -14.188 -16.108 1.00 0.00 C ATOM 414 SD MET A 25 3.583 -15.673 -17.131 1.00 0.00 S ATOM 415 CE MET A 25 3.644 -16.950 -15.875 1.00 0.00 C ATOM 0 H MET A 25 5.082 -11.039 -15.622 1.00 0.00 H new ATOM 0 HA MET A 25 4.443 -13.218 -13.719 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.511 -13.311 -16.564 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.596 -14.676 -15.468 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.022 -14.358 -15.209 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.143 -13.368 -16.650 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.632 -17.930 -16.352 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.558 -16.842 -15.291 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.780 -16.855 -15.218 1.00 0.00 H new ATOM 425 N ASN A 26 7.441 -12.506 -14.917 1.00 0.00 N ATOM 426 CA ASN A 26 8.847 -12.377 -14.553 1.00 0.00 C ATOM 427 C ASN A 26 9.699 -12.049 -15.776 1.00 0.00 C ATOM 428 O ASN A 26 10.644 -11.266 -15.695 1.00 0.00 O ATOM 429 CB ASN A 26 9.347 -13.667 -13.900 1.00 0.00 C ATOM 430 CG ASN A 26 8.973 -14.901 -14.698 1.00 0.00 C ATOM 431 OD1 ASN A 26 9.615 -15.227 -15.696 1.00 0.00 O ATOM 432 ND2 ASN A 26 7.928 -15.594 -14.260 1.00 0.00 N ATOM 0 H ASN A 26 7.256 -12.431 -15.917 1.00 0.00 H new ATOM 0 HA ASN A 26 8.938 -11.558 -13.840 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.431 -13.621 -13.794 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.931 -13.747 -12.896 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.629 -16.434 -14.756 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.425 -15.287 -13.428 1.00 0.00 H new ATOM 439 N SER A 27 9.355 -12.655 -16.908 1.00 0.00 N ATOM 440 CA SER A 27 10.090 -12.430 -18.148 1.00 0.00 C ATOM 441 C SER A 27 9.812 -11.035 -18.699 1.00 0.00 C ATOM 442 O SER A 27 10.667 -10.152 -18.641 1.00 0.00 O ATOM 443 CB SER A 27 9.710 -13.486 -19.188 1.00 0.00 C ATOM 444 OG SER A 27 10.222 -14.759 -18.833 1.00 0.00 O ATOM 0 H SER A 27 8.573 -13.305 -16.992 1.00 0.00 H new ATOM 0 HA SER A 27 11.155 -12.510 -17.930 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.625 -13.539 -19.277 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.096 -13.195 -20.165 1.00 0.00 H new ATOM 0 HG SER A 27 10.038 -14.933 -17.886 1.00 0.00 H new ATOM 450 N ASN A 28 8.610 -10.844 -19.233 1.00 0.00 N ATOM 451 CA ASN A 28 8.219 -9.557 -19.795 1.00 0.00 C ATOM 452 C ASN A 28 6.722 -9.318 -19.617 1.00 0.00 C ATOM 453 O ASN A 28 5.970 -10.237 -19.291 1.00 0.00 O ATOM 454 CB ASN A 28 8.584 -9.493 -21.279 1.00 0.00 C ATOM 455 CG ASN A 28 9.835 -10.288 -21.601 1.00 0.00 C ATOM 456 OD1 ASN A 28 10.953 -9.836 -21.353 1.00 0.00 O ATOM 457 ND2 ASN A 28 9.651 -11.479 -22.158 1.00 0.00 N ATOM 0 H ASN A 28 7.890 -11.564 -19.288 1.00 0.00 H new ATOM 0 HA ASN A 28 8.760 -8.776 -19.261 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.752 -9.874 -21.872 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.733 -8.453 -21.569 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.455 -12.059 -22.398 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.706 -11.814 -22.346 1.00 0.00 H new ATOM 464 N PHE A 29 6.297 -8.078 -19.835 1.00 0.00 N ATOM 465 CA PHE A 29 4.890 -7.717 -19.698 1.00 0.00 C ATOM 466 C PHE A 29 4.123 -8.028 -20.980 1.00 0.00 C ATOM 467 O PHE A 29 3.073 -8.671 -20.949 1.00 0.00 O ATOM 468 CB PHE A 29 4.754 -6.232 -19.355 1.00 0.00 C ATOM 469 CG PHE A 29 4.440 -5.978 -17.909 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.438 -6.030 -16.950 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.146 -5.686 -17.508 1.00 0.00 C ATOM 472 CE1 PHE A 29 5.152 -5.796 -15.618 1.00 0.00 C ATOM 473 CE2 PHE A 29 2.853 -5.452 -16.178 1.00 0.00 C ATOM 474 CZ PHE A 29 3.858 -5.506 -15.232 1.00 0.00 C ATOM 0 H PHE A 29 6.906 -7.306 -20.107 1.00 0.00 H new ATOM 0 HA PHE A 29 4.465 -8.309 -18.888 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.682 -5.721 -19.612 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.968 -5.795 -19.971 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.452 -6.256 -17.246 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.357 -5.641 -18.244 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.939 -5.840 -14.880 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.840 -5.227 -15.879 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.632 -5.322 -14.192 1.00 0.00 H new ATOM 484 N THR A 30 4.654 -7.565 -22.108 1.00 0.00 N ATOM 485 CA THR A 30 4.019 -7.791 -23.400 1.00 0.00 C ATOM 486 C THR A 30 4.962 -8.512 -24.357 1.00 0.00 C ATOM 487 O THR A 30 4.731 -8.545 -25.566 1.00 0.00 O ATOM 488 CB THR A 30 3.568 -6.466 -24.043 1.00 0.00 C ATOM 489 OG1 THR A 30 2.811 -6.731 -25.230 1.00 0.00 O ATOM 490 CG2 THR A 30 4.767 -5.594 -24.384 1.00 0.00 C ATOM 0 H THR A 30 5.522 -7.031 -22.152 1.00 0.00 H new ATOM 0 HA THR A 30 3.144 -8.415 -23.218 1.00 0.00 H new ATOM 0 HB THR A 30 2.944 -5.933 -23.326 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.229 -7.464 -25.728 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.423 -4.664 -24.837 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.325 -5.370 -23.475 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.413 -6.122 -25.085 1.00 0.00 H new ATOM 498 N LYS A 31 6.025 -9.091 -23.809 1.00 0.00 N ATOM 499 CA LYS A 31 7.003 -9.814 -24.613 1.00 0.00 C ATOM 500 C LYS A 31 7.108 -11.268 -24.164 1.00 0.00 C ATOM 501 O LYS A 31 7.764 -12.082 -24.814 1.00 0.00 O ATOM 502 CB LYS A 31 8.373 -9.139 -24.516 1.00 0.00 C ATOM 503 CG LYS A 31 8.311 -7.705 -24.019 1.00 0.00 C ATOM 504 CD LYS A 31 9.700 -7.115 -23.842 1.00 0.00 C ATOM 505 CE LYS A 31 10.352 -6.812 -25.183 1.00 0.00 C ATOM 506 NZ LYS A 31 11.538 -7.677 -25.430 1.00 0.00 N ATOM 0 H LYS A 31 6.231 -9.073 -22.810 1.00 0.00 H new ATOM 0 HA LYS A 31 6.668 -9.795 -25.650 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.008 -9.719 -23.847 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.846 -9.154 -25.498 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.745 -7.098 -24.726 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.777 -7.671 -23.070 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.636 -6.200 -23.253 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.324 -7.812 -23.282 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.624 -6.956 -25.982 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.654 -5.765 -25.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.954 -7.440 -26.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.243 -7.521 -24.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.246 -8.675 -25.428 1.00 0.00 H new ATOM 520 N ASP A 32 6.457 -11.587 -23.051 1.00 0.00 N ATOM 521 CA ASP A 32 6.475 -12.944 -22.517 1.00 0.00 C ATOM 522 C ASP A 32 5.147 -13.648 -22.776 1.00 0.00 C ATOM 523 O ASP A 32 5.104 -14.863 -22.972 1.00 0.00 O ATOM 524 CB ASP A 32 6.769 -12.920 -21.016 1.00 0.00 C ATOM 525 CG ASP A 32 6.475 -14.249 -20.347 1.00 0.00 C ATOM 526 OD1 ASP A 32 6.871 -15.294 -20.903 1.00 0.00 O ATOM 527 OD2 ASP A 32 5.848 -14.242 -19.267 1.00 0.00 O ATOM 0 H ASP A 32 5.910 -10.925 -22.501 1.00 0.00 H new ATOM 0 HA ASP A 32 7.264 -13.498 -23.026 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.816 -12.661 -20.858 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.172 -12.139 -20.544 1.00 0.00 H new ATOM 532 N LEU A 33 4.065 -12.877 -22.775 1.00 0.00 N ATOM 533 CA LEU A 33 2.734 -13.427 -23.009 1.00 0.00 C ATOM 534 C LEU A 33 2.197 -12.992 -24.369 1.00 0.00 C ATOM 535 O LEU A 33 1.088 -13.358 -24.756 1.00 0.00 O ATOM 536 CB LEU A 33 1.775 -12.982 -21.904 1.00 0.00 C ATOM 537 CG LEU A 33 0.997 -11.693 -22.169 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.187 -11.296 -20.944 1.00 0.00 C ATOM 539 CD2 LEU A 33 1.943 -10.571 -22.570 1.00 0.00 C ATOM 0 H LEU A 33 4.083 -11.870 -22.615 1.00 0.00 H new ATOM 0 HA LEU A 33 2.810 -14.514 -22.999 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.059 -13.785 -21.727 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.346 -12.855 -20.984 1.00 0.00 H new ATOM 0 HG LEU A 33 0.307 -11.872 -22.994 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.360 -10.376 -21.152 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.518 -12.091 -20.701 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.858 -11.136 -20.100 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.371 -9.662 -22.755 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.658 -10.393 -21.767 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.479 -10.853 -23.476 1.00 0.00 H new ATOM 551 N GLY A 34 2.993 -12.209 -25.092 1.00 0.00 N ATOM 552 CA GLY A 34 2.581 -11.739 -26.401 1.00 0.00 C ATOM 553 C GLY A 34 1.213 -11.087 -26.380 1.00 0.00 C ATOM 554 O GLY A 34 0.261 -11.606 -26.962 1.00 0.00 O ATOM 0 H GLY A 34 3.916 -11.892 -24.794 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.315 -11.025 -26.774 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.570 -12.577 -27.097 1.00 0.00 H new ATOM 558 N ALA A 35 1.113 -9.946 -25.705 1.00 0.00 N ATOM 559 CA ALA A 35 -0.148 -9.222 -25.610 1.00 0.00 C ATOM 560 C ALA A 35 -0.267 -8.178 -26.715 1.00 0.00 C ATOM 561 O ALA A 35 -0.956 -8.392 -27.712 1.00 0.00 O ATOM 562 CB ALA A 35 -0.278 -8.565 -24.244 1.00 0.00 C ATOM 0 H ALA A 35 1.891 -9.503 -25.216 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.960 -9.939 -25.735 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.225 -8.028 -24.187 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.248 -9.330 -23.468 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.545 -7.866 -24.097 1.00 0.00 H new ATOM 568 N ASP A 36 0.409 -7.049 -26.531 1.00 0.00 N ATOM 569 CA ASP A 36 0.380 -5.972 -27.513 1.00 0.00 C ATOM 570 C ASP A 36 1.209 -4.782 -27.039 1.00 0.00 C ATOM 571 O ASP A 36 1.109 -4.315 -25.906 1.00 0.00 O ATOM 572 CB ASP A 36 -1.061 -5.532 -27.776 1.00 0.00 C ATOM 573 CG ASP A 36 -1.451 -5.669 -29.235 1.00 0.00 C ATOM 574 OD1 ASP A 36 -1.584 -6.818 -29.707 1.00 0.00 O ATOM 575 OD2 ASP A 36 -1.622 -4.629 -29.904 1.00 0.00 O ATOM 0 H ASP A 36 0.984 -6.856 -25.711 1.00 0.00 H new ATOM 0 HA ASP A 36 0.813 -6.347 -28.440 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.737 -6.129 -27.164 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.183 -4.494 -27.466 1.00 0.00 H new ATOM 580 N SER A 37 2.068 -4.264 -27.934 1.00 0.00 N ATOM 581 CA SER A 37 2.981 -3.121 -27.708 1.00 0.00 C ATOM 582 C SER A 37 2.244 -1.856 -27.237 1.00 0.00 C ATOM 583 O SER A 37 2.592 -1.240 -26.229 1.00 0.00 O ATOM 584 CB SER A 37 3.738 -2.883 -29.024 1.00 0.00 C ATOM 585 OG SER A 37 2.852 -2.444 -30.055 1.00 0.00 O ATOM 0 H SER A 37 2.151 -4.644 -28.877 1.00 0.00 H new ATOM 0 HA SER A 37 3.674 -3.357 -26.901 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.518 -2.138 -28.869 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.234 -3.803 -29.334 1.00 0.00 H new ATOM 0 HG SER A 37 3.358 -2.298 -30.881 1.00 0.00 H new ATOM 590 N LEU A 38 1.217 -1.483 -27.993 1.00 0.00 N ATOM 591 CA LEU A 38 0.421 -0.302 -27.674 1.00 0.00 C ATOM 592 C LEU A 38 -0.239 -0.443 -26.307 1.00 0.00 C ATOM 593 O LEU A 38 -0.265 0.501 -25.518 1.00 0.00 O ATOM 594 CB LEU A 38 -0.645 -0.077 -28.748 1.00 0.00 C ATOM 595 CG LEU A 38 -0.210 -0.337 -30.191 1.00 0.00 C ATOM 596 CD1 LEU A 38 -0.630 -1.730 -30.631 1.00 0.00 C ATOM 597 CD2 LEU A 38 -0.793 0.717 -31.121 1.00 0.00 C ATOM 0 H LEU A 38 0.916 -1.981 -28.831 1.00 0.00 H new ATOM 0 HA LEU A 38 1.088 0.560 -27.647 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.497 -0.719 -28.525 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.994 0.953 -28.675 1.00 0.00 H new ATOM 0 HG LEU A 38 0.877 -0.275 -30.240 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.312 -1.898 -31.660 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.165 -2.472 -29.982 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.714 -1.820 -30.567 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.473 0.517 -32.144 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.881 0.687 -31.068 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.442 1.704 -30.818 1.00 0.00 H new ATOM 609 N ASP A 39 -0.771 -1.629 -26.032 1.00 0.00 N ATOM 610 CA ASP A 39 -1.429 -1.896 -24.759 1.00 0.00 C ATOM 611 C ASP A 39 -0.472 -1.666 -23.594 1.00 0.00 C ATOM 612 O ASP A 39 -0.734 -0.844 -22.714 1.00 0.00 O ATOM 613 CB ASP A 39 -1.959 -3.330 -24.724 1.00 0.00 C ATOM 614 CG ASP A 39 -3.358 -3.417 -24.147 1.00 0.00 C ATOM 615 OD1 ASP A 39 -3.632 -2.720 -23.148 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.180 -4.183 -24.694 1.00 0.00 O ATOM 0 H ASP A 39 -0.759 -2.421 -26.674 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.267 -1.205 -24.660 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.960 -3.738 -25.735 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.286 -3.949 -24.131 1.00 0.00 H new ATOM 621 N LEU A 40 0.637 -2.397 -23.593 1.00 0.00 N ATOM 622 CA LEU A 40 1.634 -2.274 -22.535 1.00 0.00 C ATOM 623 C LEU A 40 2.089 -0.826 -22.381 1.00 0.00 C ATOM 624 O LEU A 40 2.221 -0.321 -21.267 1.00 0.00 O ATOM 625 CB LEU A 40 2.838 -3.169 -22.835 1.00 0.00 C ATOM 626 CG LEU A 40 4.156 -2.767 -22.172 1.00 0.00 C ATOM 627 CD1 LEU A 40 4.874 -3.991 -21.627 1.00 0.00 C ATOM 628 CD2 LEU A 40 5.043 -2.019 -23.157 1.00 0.00 C ATOM 0 H LEU A 40 0.869 -3.081 -24.313 1.00 0.00 H new ATOM 0 HA LEU A 40 1.176 -2.593 -21.599 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.595 -4.186 -22.527 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.989 -3.191 -23.914 1.00 0.00 H new ATOM 0 HG LEU A 40 3.933 -2.101 -21.338 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.810 -3.686 -21.159 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.243 -4.484 -20.888 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.085 -4.682 -22.443 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.976 -1.741 -22.668 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.258 -2.660 -24.012 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.530 -1.120 -23.498 1.00 0.00 H new ATOM 640 N VAL A 41 2.324 -0.162 -23.509 1.00 0.00 N ATOM 641 CA VAL A 41 2.761 1.229 -23.500 1.00 0.00 C ATOM 642 C VAL A 41 1.665 2.145 -22.966 1.00 0.00 C ATOM 643 O VAL A 41 1.948 3.184 -22.369 1.00 0.00 O ATOM 644 CB VAL A 41 3.166 1.700 -24.909 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.490 3.186 -24.904 1.00 0.00 C ATOM 646 CG2 VAL A 41 4.348 0.890 -25.421 1.00 0.00 C ATOM 0 H VAL A 41 2.219 -0.565 -24.440 1.00 0.00 H new ATOM 0 HA VAL A 41 3.629 1.284 -22.844 1.00 0.00 H new ATOM 0 HB VAL A 41 2.324 1.539 -25.583 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.774 3.500 -25.908 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.613 3.748 -24.582 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.315 3.376 -24.218 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.621 1.236 -26.418 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.196 1.018 -24.748 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.075 -0.164 -25.465 1.00 0.00 H new ATOM 656 N GLU A 42 0.414 1.752 -23.184 1.00 0.00 N ATOM 657 CA GLU A 42 -0.724 2.539 -22.724 1.00 0.00 C ATOM 658 C GLU A 42 -0.760 2.606 -21.200 1.00 0.00 C ATOM 659 O GLU A 42 -0.559 3.668 -20.609 1.00 0.00 O ATOM 660 CB GLU A 42 -2.031 1.942 -23.250 1.00 0.00 C ATOM 661 CG GLU A 42 -2.671 2.758 -24.360 1.00 0.00 C ATOM 662 CD GLU A 42 -3.935 3.464 -23.910 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.831 4.400 -23.090 1.00 0.00 O ATOM 664 OE2 GLU A 42 -5.028 3.082 -24.379 1.00 0.00 O ATOM 0 H GLU A 42 0.163 0.894 -23.676 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.613 3.552 -23.112 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.838 0.934 -23.617 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.737 1.851 -22.424 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.956 3.497 -24.722 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.904 2.103 -25.199 1.00 0.00 H new ATOM 671 N LEU A 43 -1.017 1.466 -20.570 1.00 0.00 N ATOM 672 CA LEU A 43 -1.080 1.394 -19.114 1.00 0.00 C ATOM 673 C LEU A 43 0.163 2.014 -18.484 1.00 0.00 C ATOM 674 O LEU A 43 0.080 2.685 -17.455 1.00 0.00 O ATOM 675 CB LEU A 43 -1.223 -0.061 -18.662 1.00 0.00 C ATOM 676 CG LEU A 43 -0.117 -1.016 -19.113 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.755 -1.418 -17.933 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.715 -2.246 -19.781 1.00 0.00 C ATOM 0 H LEU A 43 -1.185 0.579 -21.044 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.952 1.958 -18.784 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.269 -0.079 -17.573 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.176 -0.442 -19.028 1.00 0.00 H new ATOM 0 HG LEU A 43 0.509 -0.500 -19.841 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.536 -2.098 -18.273 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.211 -0.529 -17.498 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.143 -1.916 -17.181 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.086 -2.915 -20.096 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.364 -2.764 -19.075 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.296 -1.941 -20.651 1.00 0.00 H new ATOM 690 N ILE A 44 1.313 1.787 -19.110 1.00 0.00 N ATOM 691 CA ILE A 44 2.573 2.327 -18.612 1.00 0.00 C ATOM 692 C ILE A 44 2.575 3.851 -18.663 1.00 0.00 C ATOM 693 O ILE A 44 2.946 4.514 -17.695 1.00 0.00 O ATOM 694 CB ILE A 44 3.771 1.796 -19.420 1.00 0.00 C ATOM 695 CG1 ILE A 44 4.053 0.336 -19.056 1.00 0.00 C ATOM 696 CG2 ILE A 44 5.001 2.656 -19.171 1.00 0.00 C ATOM 697 CD1 ILE A 44 5.138 -0.298 -19.897 1.00 0.00 C ATOM 0 H ILE A 44 1.399 1.233 -19.962 1.00 0.00 H new ATOM 0 HA ILE A 44 2.670 2.000 -17.577 1.00 0.00 H new ATOM 0 HB ILE A 44 3.525 1.846 -20.481 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.340 0.281 -18.006 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.135 -0.241 -19.167 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.840 2.268 -19.749 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.795 3.682 -19.475 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.251 2.635 -18.110 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.284 -1.332 -19.584 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.845 -0.275 -20.947 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.068 0.255 -19.768 1.00 0.00 H new ATOM 709 N MET A 45 2.158 4.401 -19.799 1.00 0.00 N ATOM 710 CA MET A 45 2.110 5.848 -19.975 1.00 0.00 C ATOM 711 C MET A 45 1.323 6.507 -18.846 1.00 0.00 C ATOM 712 O MET A 45 1.572 7.659 -18.495 1.00 0.00 O ATOM 713 CB MET A 45 1.479 6.198 -21.324 1.00 0.00 C ATOM 714 CG MET A 45 -0.021 6.435 -21.250 1.00 0.00 C ATOM 715 SD MET A 45 -0.439 8.173 -21.013 1.00 0.00 S ATOM 716 CE MET A 45 -1.774 8.364 -22.192 1.00 0.00 C ATOM 0 H MET A 45 1.849 3.867 -20.611 1.00 0.00 H new ATOM 0 HA MET A 45 3.132 6.226 -19.951 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.961 7.092 -21.720 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.677 5.390 -22.029 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.487 6.075 -22.167 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.437 5.850 -20.430 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.140 9.390 -22.164 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.410 8.136 -23.194 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.585 7.682 -21.937 1.00 0.00 H new ATOM 726 N ALA A 46 0.373 5.767 -18.283 1.00 0.00 N ATOM 727 CA ALA A 46 -0.448 6.280 -17.193 1.00 0.00 C ATOM 728 C ALA A 46 0.297 6.210 -15.864 1.00 0.00 C ATOM 729 O ALA A 46 0.183 7.107 -15.029 1.00 0.00 O ATOM 730 CB ALA A 46 -1.755 5.506 -17.109 1.00 0.00 C ATOM 0 H ALA A 46 0.153 4.811 -18.563 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.670 7.327 -17.400 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.359 5.899 -16.291 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.301 5.611 -18.046 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.543 4.452 -16.929 1.00 0.00 H new ATOM 736 N LEU A 47 1.060 5.139 -15.675 1.00 0.00 N ATOM 737 CA LEU A 47 1.824 4.951 -14.446 1.00 0.00 C ATOM 738 C LEU A 47 2.806 6.099 -14.235 1.00 0.00 C ATOM 739 O LEU A 47 2.969 6.591 -13.120 1.00 0.00 O ATOM 740 CB LEU A 47 2.578 3.621 -14.490 1.00 0.00 C ATOM 741 CG LEU A 47 2.511 2.770 -13.221 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.088 1.386 -13.475 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.249 3.456 -12.080 1.00 0.00 C ATOM 0 H LEU A 47 1.166 4.388 -16.357 1.00 0.00 H new ATOM 0 HA LEU A 47 1.124 4.937 -13.610 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.187 3.032 -15.320 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.625 3.827 -14.711 1.00 0.00 H new ATOM 0 HG LEU A 47 1.465 2.658 -12.936 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.032 0.795 -12.561 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.517 0.893 -14.262 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.129 1.477 -13.785 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.191 2.837 -11.185 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.294 3.598 -12.356 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.791 4.425 -11.881 1.00 0.00 H new ATOM 755 N GLU A 48 3.456 6.521 -15.316 1.00 0.00 N ATOM 756 CA GLU A 48 4.421 7.612 -15.248 1.00 0.00 C ATOM 757 C GLU A 48 3.712 8.962 -15.183 1.00 0.00 C ATOM 758 O GLU A 48 4.168 9.881 -14.503 1.00 0.00 O ATOM 759 CB GLU A 48 5.355 7.572 -16.459 1.00 0.00 C ATOM 760 CG GLU A 48 4.632 7.692 -17.790 1.00 0.00 C ATOM 761 CD GLU A 48 4.428 9.133 -18.215 1.00 0.00 C ATOM 762 OE1 GLU A 48 4.883 10.037 -17.483 1.00 0.00 O ATOM 763 OE2 GLU A 48 3.814 9.357 -19.278 1.00 0.00 O ATOM 0 H GLU A 48 3.332 6.124 -16.247 1.00 0.00 H new ATOM 0 HA GLU A 48 5.010 7.486 -14.340 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.080 8.382 -16.375 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.917 6.638 -16.443 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.202 7.168 -18.557 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.663 7.197 -17.719 1.00 0.00 H new ATOM 770 N GLU A 49 2.596 9.072 -15.896 1.00 0.00 N ATOM 771 CA GLU A 49 1.825 10.310 -15.921 1.00 0.00 C ATOM 772 C GLU A 49 1.311 10.659 -14.527 1.00 0.00 C ATOM 773 O GLU A 49 1.165 11.831 -14.182 1.00 0.00 O ATOM 774 CB GLU A 49 0.650 10.186 -16.893 1.00 0.00 C ATOM 775 CG GLU A 49 0.852 10.948 -18.192 1.00 0.00 C ATOM 776 CD GLU A 49 -0.368 10.900 -19.092 1.00 0.00 C ATOM 777 OE1 GLU A 49 -1.444 10.485 -18.612 1.00 0.00 O ATOM 778 OE2 GLU A 49 -0.245 11.277 -20.276 1.00 0.00 O ATOM 0 H GLU A 49 2.205 8.320 -16.464 1.00 0.00 H new ATOM 0 HA GLU A 49 2.483 11.111 -16.258 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.488 9.133 -17.121 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.254 10.550 -16.405 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.092 11.987 -17.966 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.708 10.532 -18.724 1.00 0.00 H new ATOM 785 N LYS A 50 1.038 9.632 -13.729 1.00 0.00 N ATOM 786 CA LYS A 50 0.541 9.827 -12.372 1.00 0.00 C ATOM 787 C LYS A 50 1.696 9.951 -11.383 1.00 0.00 C ATOM 788 O LYS A 50 1.563 10.583 -10.335 1.00 0.00 O ATOM 789 CB LYS A 50 -0.368 8.665 -11.968 1.00 0.00 C ATOM 790 CG LYS A 50 0.383 7.475 -11.396 1.00 0.00 C ATOM 791 CD LYS A 50 0.479 7.551 -9.882 1.00 0.00 C ATOM 792 CE LYS A 50 0.001 6.265 -9.227 1.00 0.00 C ATOM 793 NZ LYS A 50 -1.332 6.432 -8.583 1.00 0.00 N ATOM 0 H LYS A 50 1.153 8.655 -13.999 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.033 10.753 -12.351 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.088 9.018 -11.230 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.937 8.340 -12.839 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.122 6.553 -11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.385 7.436 -11.823 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.511 7.746 -9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.118 8.388 -9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.054 5.475 -9.976 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.728 5.946 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.622 5.533 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.274 7.168 -7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.031 6.711 -9.300 1.00 0.00 H new ATOM 807 N PHE A 51 2.828 9.344 -11.723 1.00 0.00 N ATOM 808 CA PHE A 51 4.006 9.388 -10.865 1.00 0.00 C ATOM 809 C PHE A 51 4.751 10.709 -11.030 1.00 0.00 C ATOM 810 O PHE A 51 5.599 11.062 -10.211 1.00 0.00 O ATOM 811 CB PHE A 51 4.940 8.219 -11.185 1.00 0.00 C ATOM 812 CG PHE A 51 4.909 7.126 -10.155 1.00 0.00 C ATOM 813 CD1 PHE A 51 5.017 7.424 -8.807 1.00 0.00 C ATOM 814 CD2 PHE A 51 4.772 5.801 -10.536 1.00 0.00 C ATOM 815 CE1 PHE A 51 4.989 6.421 -7.856 1.00 0.00 C ATOM 816 CE2 PHE A 51 4.742 4.794 -9.590 1.00 0.00 C ATOM 817 CZ PHE A 51 4.852 5.104 -8.248 1.00 0.00 C ATOM 0 H PHE A 51 2.954 8.816 -12.586 1.00 0.00 H new ATOM 0 HA PHE A 51 3.674 9.306 -9.830 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.667 7.801 -12.154 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.960 8.593 -11.275 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.124 8.452 -8.495 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.688 5.552 -11.584 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.074 6.667 -6.808 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.633 3.765 -9.900 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.831 4.318 -7.507 1.00 0.00 H new ATOM 827 N ASN A 52 4.429 11.434 -12.096 1.00 0.00 N ATOM 828 CA ASN A 52 5.068 12.716 -12.370 1.00 0.00 C ATOM 829 C ASN A 52 6.537 12.525 -12.734 1.00 0.00 C ATOM 830 O ASN A 52 7.405 13.262 -12.266 1.00 0.00 O ATOM 831 CB ASN A 52 4.948 13.639 -11.156 1.00 0.00 C ATOM 832 CG ASN A 52 5.194 15.094 -11.509 1.00 0.00 C ATOM 833 OD1 ASN A 52 4.482 15.674 -12.329 1.00 0.00 O ATOM 834 ND2 ASN A 52 6.205 15.690 -10.889 1.00 0.00 N ATOM 0 H ASN A 52 3.729 11.156 -12.784 1.00 0.00 H new ATOM 0 HA ASN A 52 4.558 13.174 -13.218 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.953 13.536 -10.722 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.662 13.327 -10.394 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.418 16.668 -11.085 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.769 15.170 -10.216 1.00 0.00 H new ATOM 841 N VAL A 53 6.809 11.530 -13.573 1.00 0.00 N ATOM 842 CA VAL A 53 8.172 11.242 -14.002 1.00 0.00 C ATOM 843 C VAL A 53 8.323 11.419 -15.508 1.00 0.00 C ATOM 844 O VAL A 53 7.355 11.713 -16.211 1.00 0.00 O ATOM 845 CB VAL A 53 8.590 9.809 -13.620 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.229 9.788 -12.240 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.392 8.873 -13.676 1.00 0.00 C ATOM 0 H VAL A 53 6.103 10.910 -13.969 1.00 0.00 H new ATOM 0 HA VAL A 53 8.822 11.951 -13.489 1.00 0.00 H new ATOM 0 HB VAL A 53 9.329 9.460 -14.341 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.517 8.767 -11.988 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.113 10.426 -12.239 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.515 10.156 -11.503 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.705 7.865 -13.403 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.628 9.217 -12.978 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.983 8.865 -14.686 1.00 0.00 H new ATOM 857 N THR A 54 9.545 11.240 -16.000 1.00 0.00 N ATOM 858 CA THR A 54 9.825 11.381 -17.423 1.00 0.00 C ATOM 859 C THR A 54 10.588 10.174 -17.956 1.00 0.00 C ATOM 860 O THR A 54 11.819 10.163 -17.969 1.00 0.00 O ATOM 861 CB THR A 54 10.638 12.657 -17.713 1.00 0.00 C ATOM 862 OG1 THR A 54 9.956 13.801 -17.188 1.00 0.00 O ATOM 863 CG2 THR A 54 10.856 12.831 -19.208 1.00 0.00 C ATOM 0 H THR A 54 10.357 10.997 -15.433 1.00 0.00 H new ATOM 0 HA THR A 54 8.862 11.451 -17.928 1.00 0.00 H new ATOM 0 HB THR A 54 11.610 12.561 -17.230 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.480 14.608 -17.375 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.432 13.738 -19.388 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.401 11.972 -19.599 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.891 12.908 -19.710 1.00 0.00 H new ATOM 871 N ILE A 55 9.851 9.159 -18.395 1.00 0.00 N ATOM 872 CA ILE A 55 10.459 7.948 -18.931 1.00 0.00 C ATOM 873 C ILE A 55 9.936 7.642 -20.330 1.00 0.00 C ATOM 874 O ILE A 55 10.657 7.782 -21.318 1.00 0.00 O ATOM 875 CB ILE A 55 10.196 6.735 -18.019 1.00 0.00 C ATOM 876 CG1 ILE A 55 9.951 7.194 -16.581 1.00 0.00 C ATOM 877 CG2 ILE A 55 11.365 5.763 -18.079 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.502 7.516 -16.287 1.00 0.00 C ATOM 0 H ILE A 55 8.831 9.152 -18.390 1.00 0.00 H new ATOM 0 HA ILE A 55 11.533 8.129 -18.980 1.00 0.00 H new ATOM 0 HB ILE A 55 9.303 6.220 -18.373 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.287 6.415 -15.897 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.558 8.077 -16.382 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.164 4.911 -17.429 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.496 5.415 -19.103 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.274 6.266 -17.747 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.403 7.834 -15.249 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.166 8.317 -16.946 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.891 6.629 -16.454 1.00 0.00 H new ATOM 890 N SER A 56 8.676 7.225 -20.406 1.00 0.00 N ATOM 891 CA SER A 56 8.056 6.897 -21.685 1.00 0.00 C ATOM 892 C SER A 56 8.761 5.716 -22.344 1.00 0.00 C ATOM 893 O SER A 56 8.338 4.569 -22.202 1.00 0.00 O ATOM 894 CB SER A 56 8.087 8.110 -22.617 1.00 0.00 C ATOM 895 OG SER A 56 6.857 8.812 -22.583 1.00 0.00 O ATOM 0 H SER A 56 8.065 7.106 -19.598 1.00 0.00 H new ATOM 0 HA SER A 56 7.019 6.619 -21.497 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.898 8.777 -22.324 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.295 7.784 -23.636 1.00 0.00 H new ATOM 0 HG SER A 56 6.904 9.583 -23.186 1.00 0.00 H new ATOM 901 N ASP A 57 9.838 6.006 -23.065 1.00 0.00 N ATOM 902 CA ASP A 57 10.605 4.969 -23.746 1.00 0.00 C ATOM 903 C ASP A 57 11.236 4.011 -22.740 1.00 0.00 C ATOM 904 O ASP A 57 10.860 2.842 -22.663 1.00 0.00 O ATOM 905 CB ASP A 57 11.690 5.598 -24.621 1.00 0.00 C ATOM 906 CG ASP A 57 11.121 6.277 -25.851 1.00 0.00 C ATOM 907 OD1 ASP A 57 10.343 7.241 -25.691 1.00 0.00 O ATOM 908 OD2 ASP A 57 11.454 5.844 -26.974 1.00 0.00 O ATOM 0 H ASP A 57 10.200 6.951 -23.193 1.00 0.00 H new ATOM 0 HA ASP A 57 9.922 4.403 -24.380 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.249 6.326 -24.034 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.396 4.827 -24.929 1.00 0.00 H new ATOM 913 N GLN A 58 12.197 4.516 -21.973 1.00 0.00 N ATOM 914 CA GLN A 58 12.882 3.704 -20.974 1.00 0.00 C ATOM 915 C GLN A 58 11.880 2.959 -20.098 1.00 0.00 C ATOM 916 O GLN A 58 12.186 1.900 -19.551 1.00 0.00 O ATOM 917 CB GLN A 58 13.784 4.581 -20.105 1.00 0.00 C ATOM 918 CG GLN A 58 15.209 4.689 -20.623 1.00 0.00 C ATOM 919 CD GLN A 58 15.861 3.335 -20.825 1.00 0.00 C ATOM 920 OE1 GLN A 58 16.358 2.724 -19.879 1.00 0.00 O ATOM 921 NE2 GLN A 58 15.861 2.857 -22.064 1.00 0.00 N ATOM 0 H GLN A 58 12.519 5.483 -22.024 1.00 0.00 H new ATOM 0 HA GLN A 58 13.495 2.970 -21.497 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.353 5.580 -20.041 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.804 4.177 -19.093 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.208 5.232 -21.568 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.804 5.273 -19.921 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.438 3.397 -22.819 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.284 1.950 -22.261 1.00 0.00 H new ATOM 930 N ASP A 59 10.682 3.520 -19.970 1.00 0.00 N ATOM 931 CA ASP A 59 9.634 2.909 -19.161 1.00 0.00 C ATOM 932 C ASP A 59 9.313 1.503 -19.660 1.00 0.00 C ATOM 933 O ASP A 59 9.609 0.514 -18.991 1.00 0.00 O ATOM 934 CB ASP A 59 8.373 3.773 -19.185 1.00 0.00 C ATOM 935 CG ASP A 59 7.946 4.213 -17.799 1.00 0.00 C ATOM 936 OD1 ASP A 59 8.832 4.408 -16.939 1.00 0.00 O ATOM 937 OD2 ASP A 59 6.728 4.364 -17.573 1.00 0.00 O ATOM 0 H ASP A 59 10.413 4.397 -20.416 1.00 0.00 H new ATOM 0 HA ASP A 59 9.996 2.837 -18.135 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.551 4.653 -19.804 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.562 3.214 -19.651 1.00 0.00 H new ATOM 942 N ALA A 60 8.704 1.424 -20.839 1.00 0.00 N ATOM 943 CA ALA A 60 8.343 0.140 -21.427 1.00 0.00 C ATOM 944 C ALA A 60 9.533 -0.813 -21.436 1.00 0.00 C ATOM 945 O ALA A 60 9.365 -2.033 -21.401 1.00 0.00 O ATOM 946 CB ALA A 60 7.812 0.338 -22.839 1.00 0.00 C ATOM 0 H ALA A 60 8.451 2.234 -21.405 1.00 0.00 H new ATOM 0 HA ALA A 60 7.559 -0.305 -20.815 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.546 -0.629 -23.267 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.929 0.977 -22.810 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.580 0.808 -23.454 1.00 0.00 H new ATOM 952 N LEU A 61 10.736 -0.251 -21.485 1.00 0.00 N ATOM 953 CA LEU A 61 11.955 -1.052 -21.500 1.00 0.00 C ATOM 954 C LEU A 61 12.503 -1.236 -20.088 1.00 0.00 C ATOM 955 O LEU A 61 13.715 -1.220 -19.873 1.00 0.00 O ATOM 956 CB LEU A 61 13.012 -0.391 -22.387 1.00 0.00 C ATOM 957 CG LEU A 61 12.529 0.105 -23.750 1.00 0.00 C ATOM 958 CD1 LEU A 61 13.563 1.025 -24.380 1.00 0.00 C ATOM 959 CD2 LEU A 61 12.229 -1.070 -24.669 1.00 0.00 C ATOM 0 H LEU A 61 10.893 0.756 -21.515 1.00 0.00 H new ATOM 0 HA LEU A 61 11.711 -2.034 -21.906 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.436 0.454 -21.845 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.820 -1.104 -22.548 1.00 0.00 H new ATOM 0 HG LEU A 61 11.609 0.671 -23.604 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.202 1.368 -25.350 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.730 1.884 -23.730 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.499 0.483 -24.513 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.886 -0.698 -25.635 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.133 -1.663 -24.808 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.452 -1.692 -24.223 1.00 0.00 H new ATOM 971 N LYS A 62 11.601 -1.413 -19.128 1.00 0.00 N ATOM 972 CA LYS A 62 11.992 -1.604 -17.736 1.00 0.00 C ATOM 973 C LYS A 62 10.902 -2.335 -16.960 1.00 0.00 C ATOM 974 O LYS A 62 11.137 -3.408 -16.404 1.00 0.00 O ATOM 975 CB LYS A 62 12.284 -0.254 -17.077 1.00 0.00 C ATOM 976 CG LYS A 62 13.753 -0.038 -16.758 1.00 0.00 C ATOM 977 CD LYS A 62 13.963 1.206 -15.911 1.00 0.00 C ATOM 978 CE LYS A 62 14.675 2.299 -16.693 1.00 0.00 C ATOM 979 NZ LYS A 62 15.639 3.051 -15.842 1.00 0.00 N ATOM 0 H LYS A 62 10.594 -1.428 -19.289 1.00 0.00 H new ATOM 0 HA LYS A 62 12.896 -2.213 -17.719 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.943 0.544 -17.736 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.706 -0.176 -16.156 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.143 -0.908 -16.231 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.318 0.053 -17.686 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.999 1.576 -15.561 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.547 0.951 -15.026 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.204 1.856 -17.537 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.939 2.989 -17.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.104 3.787 -16.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.131 3.495 -15.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.357 2.397 -15.469 1.00 0.00 H new ATOM 993 N ILE A 63 9.710 -1.748 -16.928 1.00 0.00 N ATOM 994 CA ILE A 63 8.583 -2.346 -16.223 1.00 0.00 C ATOM 995 C ILE A 63 8.338 -3.777 -16.690 1.00 0.00 C ATOM 996 O ILE A 63 7.752 -4.584 -15.971 1.00 0.00 O ATOM 997 CB ILE A 63 7.295 -1.526 -16.421 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.423 -0.163 -15.737 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.094 -2.286 -15.878 1.00 0.00 C ATOM 1000 CD1 ILE A 63 7.998 0.911 -16.634 1.00 0.00 C ATOM 0 H ILE A 63 9.500 -0.859 -17.382 1.00 0.00 H new ATOM 0 HA ILE A 63 8.841 -2.351 -15.164 1.00 0.00 H new ATOM 0 HB ILE A 63 7.145 -1.364 -17.488 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.440 0.154 -15.389 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.056 -0.266 -14.855 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.191 -1.693 -16.025 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.995 -3.235 -16.405 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.234 -2.475 -14.814 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.060 1.850 -16.084 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.995 0.616 -16.962 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.354 1.042 -17.504 1.00 0.00 H new ATOM 1012 N ASN A 64 8.794 -4.084 -17.901 1.00 0.00 N ATOM 1013 CA ASN A 64 8.625 -5.418 -18.465 1.00 0.00 C ATOM 1014 C ASN A 64 8.951 -6.491 -17.431 1.00 0.00 C ATOM 1015 O ASN A 64 8.328 -7.554 -17.404 1.00 0.00 O ATOM 1016 CB ASN A 64 9.519 -5.591 -19.695 1.00 0.00 C ATOM 1017 CG ASN A 64 10.780 -4.753 -19.616 1.00 0.00 C ATOM 1018 OD1 ASN A 64 10.959 -3.807 -20.383 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.662 -5.096 -18.684 1.00 0.00 N ATOM 0 H ASN A 64 9.283 -3.427 -18.510 1.00 0.00 H new ATOM 0 HA ASN A 64 7.582 -5.530 -18.763 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.790 -6.642 -19.799 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.959 -5.317 -20.589 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.529 -4.568 -18.583 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.473 -5.888 -18.069 1.00 0.00 H new ATOM 1026 N THR A 65 9.931 -6.207 -16.579 1.00 0.00 N ATOM 1027 CA THR A 65 10.341 -7.147 -15.543 1.00 0.00 C ATOM 1028 C THR A 65 10.061 -6.588 -14.152 1.00 0.00 C ATOM 1029 O THR A 65 10.400 -5.443 -13.853 1.00 0.00 O ATOM 1030 CB THR A 65 11.838 -7.489 -15.655 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.629 -6.331 -15.365 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.174 -8.002 -17.047 1.00 0.00 C ATOM 0 H THR A 65 10.456 -5.333 -16.586 1.00 0.00 H new ATOM 0 HA THR A 65 9.757 -8.055 -15.691 1.00 0.00 H new ATOM 0 HB THR A 65 12.063 -8.273 -14.932 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.580 -6.558 -15.437 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.237 -8.237 -17.101 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.593 -8.901 -17.254 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.933 -7.237 -17.785 1.00 0.00 H new ATOM 1040 N VAL A 66 9.442 -7.404 -13.305 1.00 0.00 N ATOM 1041 CA VAL A 66 9.119 -6.992 -11.945 1.00 0.00 C ATOM 1042 C VAL A 66 10.334 -6.388 -11.250 1.00 0.00 C ATOM 1043 O VAL A 66 10.199 -5.532 -10.376 1.00 0.00 O ATOM 1044 CB VAL A 66 8.599 -8.176 -11.108 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.323 -7.739 -9.678 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.350 -8.769 -11.743 1.00 0.00 C ATOM 0 H VAL A 66 9.154 -8.355 -13.537 1.00 0.00 H new ATOM 0 HA VAL A 66 8.335 -6.238 -12.021 1.00 0.00 H new ATOM 0 HB VAL A 66 9.369 -8.947 -11.085 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.956 -8.589 -9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.243 -7.365 -9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.572 -6.949 -9.677 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.996 -9.604 -11.139 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.573 -8.007 -11.799 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.585 -9.122 -12.747 1.00 0.00 H new ATOM 1056 N GLN A 67 11.520 -6.839 -11.646 1.00 0.00 N ATOM 1057 CA GLN A 67 12.760 -6.342 -11.061 1.00 0.00 C ATOM 1058 C GLN A 67 13.003 -4.889 -11.454 1.00 0.00 C ATOM 1059 O GLN A 67 13.098 -4.011 -10.596 1.00 0.00 O ATOM 1060 CB GLN A 67 13.940 -7.208 -11.505 1.00 0.00 C ATOM 1061 CG GLN A 67 15.279 -6.737 -10.960 1.00 0.00 C ATOM 1062 CD GLN A 67 15.390 -6.909 -9.457 1.00 0.00 C ATOM 1063 OE1 GLN A 67 15.972 -7.880 -8.973 1.00 0.00 O ATOM 1064 NE2 GLN A 67 14.831 -5.964 -8.711 1.00 0.00 N ATOM 0 H GLN A 67 11.648 -7.547 -12.369 1.00 0.00 H new ATOM 0 HA GLN A 67 12.668 -6.395 -9.976 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.767 -8.235 -11.184 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.983 -7.218 -12.594 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.081 -7.293 -11.446 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.421 -5.686 -11.213 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.359 -5.176 -9.155 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.874 -6.025 -7.694 1.00 0.00 H new ATOM 1073 N ASP A 68 13.104 -4.642 -12.755 1.00 0.00 N ATOM 1074 CA ASP A 68 13.336 -3.295 -13.262 1.00 0.00 C ATOM 1075 C ASP A 68 12.169 -2.375 -12.915 1.00 0.00 C ATOM 1076 O ASP A 68 12.351 -1.175 -12.712 1.00 0.00 O ATOM 1077 CB ASP A 68 13.544 -3.325 -14.777 1.00 0.00 C ATOM 1078 CG ASP A 68 14.989 -3.585 -15.158 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.681 -4.301 -14.404 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.427 -3.072 -16.209 1.00 0.00 O ATOM 0 H ASP A 68 13.029 -5.357 -13.478 1.00 0.00 H new ATOM 0 HA ASP A 68 14.237 -2.906 -12.787 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.912 -4.099 -15.212 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.224 -2.374 -15.204 1.00 0.00 H new ATOM 1085 N ALA A 69 10.971 -2.947 -12.850 1.00 0.00 N ATOM 1086 CA ALA A 69 9.775 -2.179 -12.526 1.00 0.00 C ATOM 1087 C ALA A 69 9.894 -1.531 -11.151 1.00 0.00 C ATOM 1088 O ALA A 69 9.908 -0.306 -11.031 1.00 0.00 O ATOM 1089 CB ALA A 69 8.544 -3.070 -12.588 1.00 0.00 C ATOM 0 H ALA A 69 10.803 -3.939 -13.017 1.00 0.00 H new ATOM 0 HA ALA A 69 9.672 -1.384 -13.265 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.658 -2.484 -12.344 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.442 -3.480 -13.593 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.648 -3.885 -11.872 1.00 0.00 H new ATOM 1095 N ILE A 70 9.977 -2.361 -10.117 1.00 0.00 N ATOM 1096 CA ILE A 70 10.095 -1.868 -8.750 1.00 0.00 C ATOM 1097 C ILE A 70 11.304 -0.951 -8.599 1.00 0.00 C ATOM 1098 O ILE A 70 11.294 -0.022 -7.791 1.00 0.00 O ATOM 1099 CB ILE A 70 10.213 -3.026 -7.742 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.480 -3.840 -8.014 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.981 -3.915 -7.809 1.00 0.00 C ATOM 1102 CD1 ILE A 70 11.624 -5.050 -7.118 1.00 0.00 C ATOM 0 H ILE A 70 9.965 -3.378 -10.199 1.00 0.00 H new ATOM 0 HA ILE A 70 9.186 -1.305 -8.538 1.00 0.00 H new ATOM 0 HB ILE A 70 10.280 -2.608 -6.737 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.476 -4.166 -9.054 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.350 -3.197 -7.885 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.080 -4.729 -7.091 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.095 -3.327 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.884 -4.328 -8.813 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.544 -5.579 -7.367 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.660 -4.730 -6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.772 -5.714 -7.264 1.00 0.00 H new ATOM 1114 N ASP A 71 12.343 -1.217 -9.382 1.00 0.00 N ATOM 1115 CA ASP A 71 13.559 -0.414 -9.338 1.00 0.00 C ATOM 1116 C ASP A 71 13.352 0.926 -10.037 1.00 0.00 C ATOM 1117 O ASP A 71 14.006 1.916 -9.709 1.00 0.00 O ATOM 1118 CB ASP A 71 14.718 -1.169 -9.990 1.00 0.00 C ATOM 1119 CG ASP A 71 16.065 -0.551 -9.670 1.00 0.00 C ATOM 1120 OD1 ASP A 71 16.513 -0.670 -8.510 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.672 0.051 -10.580 1.00 0.00 O ATOM 0 H ASP A 71 12.368 -1.983 -10.055 1.00 0.00 H new ATOM 0 HA ASP A 71 13.801 -0.224 -8.292 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.708 -2.206 -9.653 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.576 -1.184 -11.071 1.00 0.00 H new ATOM 1126 N TYR A 72 12.439 0.949 -11.001 1.00 0.00 N ATOM 1127 CA TYR A 72 12.148 2.166 -11.749 1.00 0.00 C ATOM 1128 C TYR A 72 11.299 3.126 -10.920 1.00 0.00 C ATOM 1129 O TYR A 72 11.420 4.345 -11.044 1.00 0.00 O ATOM 1130 CB TYR A 72 11.426 1.828 -13.054 1.00 0.00 C ATOM 1131 CG TYR A 72 10.119 2.567 -13.233 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.098 3.893 -13.644 1.00 0.00 C ATOM 1133 CD2 TYR A 72 8.904 1.937 -12.990 1.00 0.00 C ATOM 1134 CE1 TYR A 72 8.906 4.572 -13.808 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.707 2.608 -13.152 1.00 0.00 C ATOM 1136 CZ TYR A 72 7.713 3.925 -13.561 1.00 0.00 C ATOM 1137 OH TYR A 72 6.524 4.598 -13.724 1.00 0.00 O ATOM 0 H TYR A 72 11.888 0.139 -11.283 1.00 0.00 H new ATOM 0 HA TYR A 72 13.095 2.654 -11.981 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.082 2.060 -13.893 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.234 0.755 -13.086 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.030 4.403 -13.839 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.895 0.906 -12.669 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.908 5.604 -14.128 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.772 2.104 -12.959 1.00 0.00 H new ATOM 0 HH TYR A 72 5.823 3.965 -13.985 1.00 0.00 H new ATOM 1147 N ILE A 73 10.442 2.566 -10.073 1.00 0.00 N ATOM 1148 CA ILE A 73 9.575 3.370 -9.221 1.00 0.00 C ATOM 1149 C ILE A 73 10.316 3.848 -7.977 1.00 0.00 C ATOM 1150 O ILE A 73 10.005 4.903 -7.425 1.00 0.00 O ATOM 1151 CB ILE A 73 8.323 2.583 -8.789 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.718 1.399 -7.906 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.550 2.107 -10.010 1.00 0.00 C ATOM 1154 CD1 ILE A 73 7.536 0.680 -7.294 1.00 0.00 C ATOM 0 H ILE A 73 10.330 1.559 -9.959 1.00 0.00 H new ATOM 0 HA ILE A 73 9.266 4.233 -9.811 1.00 0.00 H new ATOM 0 HB ILE A 73 7.678 3.244 -8.210 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.296 0.691 -8.499 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.370 1.753 -7.108 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.668 1.553 -9.689 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.241 2.968 -10.603 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.186 1.459 -10.614 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.892 -0.148 -6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.969 1.374 -6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.894 0.295 -8.086 1.00 0.00 H new ATOM 1166 N GLU A 74 11.298 3.064 -7.543 1.00 0.00 N ATOM 1167 CA GLU A 74 12.084 3.408 -6.364 1.00 0.00 C ATOM 1168 C GLU A 74 13.281 4.276 -6.742 1.00 0.00 C ATOM 1169 O GLU A 74 13.861 4.957 -5.896 1.00 0.00 O ATOM 1170 CB GLU A 74 12.563 2.140 -5.655 1.00 0.00 C ATOM 1171 CG GLU A 74 11.434 1.294 -5.090 1.00 0.00 C ATOM 1172 CD GLU A 74 11.500 1.164 -3.581 1.00 0.00 C ATOM 1173 OE1 GLU A 74 11.746 2.188 -2.908 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.307 0.040 -3.073 1.00 0.00 O ATOM 0 H GLU A 74 11.568 2.188 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 74 11.446 3.975 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.141 1.538 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.237 2.419 -4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.478 1.736 -5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.470 0.301 -5.538 1.00 0.00 H new ATOM 1181 N LYS A 75 13.646 4.245 -8.019 1.00 0.00 N ATOM 1182 CA LYS A 75 14.773 5.028 -8.513 1.00 0.00 C ATOM 1183 C LYS A 75 14.350 6.463 -8.810 1.00 0.00 C ATOM 1184 O LYS A 75 15.085 7.408 -8.526 1.00 0.00 O ATOM 1185 CB LYS A 75 15.355 4.384 -9.773 1.00 0.00 C ATOM 1186 CG LYS A 75 16.259 5.311 -10.568 1.00 0.00 C ATOM 1187 CD LYS A 75 15.487 6.056 -11.644 1.00 0.00 C ATOM 1188 CE LYS A 75 16.273 6.129 -12.944 1.00 0.00 C ATOM 1189 NZ LYS A 75 17.507 6.950 -12.800 1.00 0.00 N ATOM 0 H LYS A 75 13.177 3.686 -8.732 1.00 0.00 H new ATOM 0 HA LYS A 75 15.538 5.047 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.919 3.495 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.537 4.052 -10.412 1.00 0.00 H new ATOM 0 HG2 LYS A 75 16.729 6.027 -9.895 1.00 0.00 H new ATOM 0 HG3 LYS A 75 17.060 4.733 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.534 5.557 -11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.259 7.064 -11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.542 5.122 -13.263 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.643 6.554 -13.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.015 6.975 -13.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.249 7.918 -12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 18.120 6.531 -12.072 1.00 0.00 H new ATOM 1203 N ASN A 76 13.161 6.618 -9.383 1.00 0.00 N ATOM 1204 CA ASN A 76 12.640 7.938 -9.718 1.00 0.00 C ATOM 1205 C ASN A 76 11.808 8.502 -8.570 1.00 0.00 C ATOM 1206 O ASN A 76 12.163 9.516 -7.973 1.00 0.00 O ATOM 1207 CB ASN A 76 11.793 7.867 -10.990 1.00 0.00 C ATOM 1208 CG ASN A 76 12.572 7.325 -12.173 1.00 0.00 C ATOM 1209 OD1 ASN A 76 12.335 6.204 -12.625 1.00 0.00 O ATOM 1210 ND2 ASN A 76 13.507 8.119 -12.681 1.00 0.00 N ATOM 0 H ASN A 76 12.540 5.846 -9.625 1.00 0.00 H new ATOM 0 HA ASN A 76 13.487 8.603 -9.890 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.924 7.234 -10.810 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.418 8.862 -11.230 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.063 7.808 -13.478 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.670 9.040 -12.275 1.00 0.00 H new ATOM 1217 N ASN A 77 10.698 7.835 -8.269 1.00 0.00 N ATOM 1218 CA ASN A 77 9.815 8.270 -7.193 1.00 0.00 C ATOM 1219 C ASN A 77 10.238 7.658 -5.861 1.00 0.00 C ATOM 1220 O ASN A 77 9.507 6.863 -5.269 1.00 0.00 O ATOM 1221 CB ASN A 77 8.367 7.885 -7.506 1.00 0.00 C ATOM 1222 CG ASN A 77 8.054 7.972 -8.987 1.00 0.00 C ATOM 1223 OD1 ASN A 77 7.525 8.977 -9.463 1.00 0.00 O ATOM 1224 ND2 ASN A 77 8.378 6.916 -9.724 1.00 0.00 N ATOM 0 H ASN A 77 10.389 6.993 -8.754 1.00 0.00 H new ATOM 0 HA ASN A 77 9.887 9.355 -7.114 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.180 6.869 -7.157 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.692 8.541 -6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.190 6.917 -10.727 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.815 6.104 -9.288 1.00 0.00 H new