USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 674 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+ -176:sc= 0.649 (180deg=-0.0123) USER MOD Set 1.2: A 79 ASN : amide:sc= -1.49! C(o=-0.85!,f=-9.3!) USER MOD Set 2.1: A 73 GLN : amide:sc= 0.389 X(o=0.39,f=0.046) USER MOD Set 2.2: A 74 TYR OH : rot 165:sc= 0 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -0.0697 K(o=-0.2,f=-9.7!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= -0.126 USER MOD Set 4.1: A 24 THR OG1 : rot 11:sc= 0.654 USER MOD Set 4.2: A 27 SER OG : rot -84:sc= 0.817 USER MOD Single : A 4 THR OG1 : rot 141:sc= 0.205 USER MOD Single : A 10 THR OG1 : rot 76:sc= 0.905 USER MOD Single : A 15 THR OG1 : rot 73:sc= 1.09 USER MOD Single : A 16 CYS SG : rot -177:sc= -1.3 USER MOD Single : A 22 THR OG1 : rot -27:sc= 0.732 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 145:sc= -0.0226 (180deg=-1.94!) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 0.337 (180deg=0.288) USER MOD Single : A 61 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.119 F(o=-1.3,f=-0.12) USER MOD Single : A 65 ASN : amide:sc= 0.637 K(o=0.64,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 158:sc= -0.561 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -8.861 1.974 -1.463 1.00 0.00 N ATOM 46 CA THR A 4 -7.446 2.156 -1.095 1.00 0.00 C ATOM 47 C THR A 4 -6.975 3.605 -1.293 1.00 0.00 C ATOM 48 O THR A 4 -6.430 4.200 -0.368 1.00 0.00 O ATOM 49 CB THR A 4 -6.514 1.185 -1.896 1.00 0.00 C ATOM 50 OG1 THR A 4 -6.990 -0.167 -1.755 1.00 0.00 O ATOM 51 CG2 THR A 4 -5.050 1.263 -1.415 1.00 0.00 C ATOM 0 HA THR A 4 -7.376 1.918 -0.034 1.00 0.00 H new ATOM 0 HB THR A 4 -6.540 1.490 -2.942 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.901 -0.636 -2.611 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.439 0.574 -1.997 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.677 2.279 -1.547 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.999 0.992 -0.361 1.00 0.00 H new ATOM 59 N PHE A 5 -7.228 4.180 -2.489 1.00 0.00 N ATOM 60 CA PHE A 5 -6.789 5.545 -2.812 1.00 0.00 C ATOM 61 C PHE A 5 -7.486 6.591 -1.914 1.00 0.00 C ATOM 62 O PHE A 5 -6.857 7.564 -1.520 1.00 0.00 O ATOM 63 CB PHE A 5 -7.012 5.897 -4.314 1.00 0.00 C ATOM 64 CG PHE A 5 -6.596 7.341 -4.627 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.250 7.704 -4.625 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.550 8.346 -4.835 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.875 9.016 -4.812 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.159 9.657 -5.033 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.826 9.989 -5.017 1.00 0.00 C ATOM 0 H PHE A 5 -7.734 3.716 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.717 5.576 -2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.440 5.210 -4.937 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.063 5.758 -4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.493 6.948 -4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.600 8.094 -4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.829 9.283 -4.798 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.903 10.422 -5.201 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.524 11.015 -5.166 1.00 0.00 H new ATOM 79 N ASP A 6 -8.782 6.386 -1.625 1.00 0.00 N ATOM 80 CA ASP A 6 -9.576 7.324 -0.794 1.00 0.00 C ATOM 81 C ASP A 6 -9.019 7.393 0.626 1.00 0.00 C ATOM 82 O ASP A 6 -8.902 8.477 1.209 1.00 0.00 O ATOM 83 CB ASP A 6 -11.057 6.902 -0.757 1.00 0.00 C ATOM 84 CG ASP A 6 -11.709 7.017 -2.135 1.00 0.00 C ATOM 85 OD1 ASP A 6 -12.153 8.125 -2.504 1.00 0.00 O ATOM 86 OD2 ASP A 6 -11.756 6.013 -2.864 1.00 0.00 O ATOM 0 H ASP A 6 -9.309 5.577 -1.953 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.505 8.313 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.134 5.874 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.596 7.527 -0.045 1.00 0.00 H new ATOM 91 N ARG A 7 -8.684 6.207 1.147 1.00 0.00 N ATOM 92 CA ARG A 7 -8.026 6.028 2.447 1.00 0.00 C ATOM 93 C ARG A 7 -6.681 6.770 2.468 1.00 0.00 C ATOM 94 O ARG A 7 -6.437 7.568 3.365 1.00 0.00 O ATOM 95 CB ARG A 7 -7.834 4.515 2.709 1.00 0.00 C ATOM 96 CG ARG A 7 -9.142 3.721 2.938 1.00 0.00 C ATOM 97 CD ARG A 7 -9.714 3.902 4.355 1.00 0.00 C ATOM 98 NE ARG A 7 -8.865 3.224 5.358 1.00 0.00 N ATOM 99 CZ ARG A 7 -8.355 3.769 6.468 1.00 0.00 C ATOM 100 NH1 ARG A 7 -8.551 5.049 6.768 1.00 0.00 N ATOM 101 NH2 ARG A 7 -7.628 3.024 7.278 1.00 0.00 N ATOM 0 H ARG A 7 -8.867 5.326 0.667 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.647 6.448 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.305 4.079 1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.194 4.391 3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.886 4.039 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.954 2.662 2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.784 4.964 4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.726 3.499 4.397 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.646 2.243 5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.102 5.640 6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.151 5.440 7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.460 2.043 7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.234 3.429 8.127 1.00 0.00 H new ATOM 115 N VAL A 8 -5.848 6.531 1.428 1.00 0.00 N ATOM 116 CA VAL A 8 -4.513 7.152 1.271 1.00 0.00 C ATOM 117 C VAL A 8 -4.613 8.688 1.181 1.00 0.00 C ATOM 118 O VAL A 8 -3.830 9.392 1.806 1.00 0.00 O ATOM 119 CB VAL A 8 -3.769 6.566 0.003 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.469 7.343 -0.345 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.460 5.062 0.208 1.00 0.00 C ATOM 0 H VAL A 8 -6.087 5.895 0.667 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.929 6.909 2.158 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.445 6.686 -0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.002 6.896 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.713 8.385 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.779 7.294 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.948 4.672 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.822 4.938 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.392 4.516 0.357 1.00 0.00 H new ATOM 131 N ALA A 9 -5.610 9.186 0.433 1.00 0.00 N ATOM 132 CA ALA A 9 -5.843 10.632 0.221 1.00 0.00 C ATOM 133 C ALA A 9 -6.138 11.333 1.560 1.00 0.00 C ATOM 134 O ALA A 9 -5.625 12.423 1.835 1.00 0.00 O ATOM 135 CB ALA A 9 -7.006 10.842 -0.772 1.00 0.00 C ATOM 0 H ALA A 9 -6.287 8.594 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.941 11.074 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.169 11.909 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.759 10.376 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.913 10.389 -0.371 1.00 0.00 H new ATOM 141 N THR A 10 -6.983 10.673 2.371 1.00 0.00 N ATOM 142 CA THR A 10 -7.304 11.111 3.739 1.00 0.00 C ATOM 143 C THR A 10 -6.025 11.133 4.610 1.00 0.00 C ATOM 144 O THR A 10 -5.757 12.114 5.294 1.00 0.00 O ATOM 145 CB THR A 10 -8.389 10.176 4.384 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.511 10.061 3.494 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.882 10.689 5.752 1.00 0.00 C ATOM 0 H THR A 10 -7.464 9.817 2.094 1.00 0.00 H new ATOM 0 HA THR A 10 -7.711 12.121 3.688 1.00 0.00 H new ATOM 0 HB THR A 10 -7.920 9.206 4.548 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.282 9.460 2.755 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.630 10.003 6.150 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.041 10.749 6.443 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.324 11.678 5.632 1.00 0.00 H new ATOM 155 N ILE A 11 -5.222 10.054 4.509 1.00 0.00 N ATOM 156 CA ILE A 11 -3.966 9.874 5.276 1.00 0.00 C ATOM 157 C ILE A 11 -2.921 10.970 4.959 1.00 0.00 C ATOM 158 O ILE A 11 -2.279 11.485 5.875 1.00 0.00 O ATOM 159 CB ILE A 11 -3.367 8.435 5.003 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.300 7.343 5.620 1.00 0.00 C ATOM 161 CG2 ILE A 11 -1.913 8.288 5.518 1.00 0.00 C ATOM 162 CD1 ILE A 11 -3.946 5.908 5.270 1.00 0.00 C ATOM 0 H ILE A 11 -5.427 9.273 3.886 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.211 9.968 6.334 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.323 8.296 3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.286 7.448 6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.322 7.537 5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.551 7.282 5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.275 9.017 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.889 8.462 6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.654 5.232 5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.991 5.776 4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.938 5.686 5.621 1.00 0.00 H new ATOM 174 N ILE A 12 -2.781 11.339 3.671 1.00 0.00 N ATOM 175 CA ILE A 12 -1.816 12.370 3.224 1.00 0.00 C ATOM 176 C ILE A 12 -2.211 13.735 3.820 1.00 0.00 C ATOM 177 O ILE A 12 -1.361 14.493 4.312 1.00 0.00 O ATOM 178 CB ILE A 12 -1.768 12.457 1.647 1.00 0.00 C ATOM 179 CG1 ILE A 12 -1.319 11.103 1.014 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.863 13.617 1.149 1.00 0.00 C ATOM 181 CD1 ILE A 12 -1.412 11.048 -0.505 1.00 0.00 C ATOM 0 H ILE A 12 -3.330 10.935 2.912 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.822 12.093 3.575 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.785 12.670 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.289 10.904 1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.930 10.302 1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.862 13.636 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.245 14.565 1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.154 13.465 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.080 10.071 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.445 11.212 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.778 11.822 -0.937 1.00 0.00 H new ATOM 193 N ALA A 13 -3.529 13.997 3.773 1.00 0.00 N ATOM 194 CA ALA A 13 -4.148 15.192 4.359 1.00 0.00 C ATOM 195 C ALA A 13 -3.863 15.308 5.873 1.00 0.00 C ATOM 196 O ALA A 13 -3.462 16.372 6.353 1.00 0.00 O ATOM 197 CB ALA A 13 -5.666 15.182 4.095 1.00 0.00 C ATOM 0 H ALA A 13 -4.200 13.375 3.321 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.704 16.065 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.117 16.072 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.848 15.174 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.108 14.293 4.544 1.00 0.00 H new ATOM 203 N GLU A 14 -4.049 14.197 6.603 1.00 0.00 N ATOM 204 CA GLU A 14 -3.917 14.165 8.074 1.00 0.00 C ATOM 205 C GLU A 14 -2.447 14.181 8.537 1.00 0.00 C ATOM 206 O GLU A 14 -2.154 14.683 9.630 1.00 0.00 O ATOM 207 CB GLU A 14 -4.657 12.922 8.644 1.00 0.00 C ATOM 208 CG GLU A 14 -6.169 12.866 8.322 1.00 0.00 C ATOM 209 CD GLU A 14 -6.987 14.023 8.923 1.00 0.00 C ATOM 210 OE1 GLU A 14 -7.091 15.095 8.291 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.535 13.868 10.040 1.00 0.00 O ATOM 0 H GLU A 14 -4.295 13.295 6.194 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.377 15.073 8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.182 12.022 8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.529 12.905 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.299 12.869 7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.572 11.922 8.689 1.00 0.00 H new ATOM 218 N THR A 15 -1.528 13.629 7.721 1.00 0.00 N ATOM 219 CA THR A 15 -0.095 13.584 8.072 1.00 0.00 C ATOM 220 C THR A 15 0.595 14.939 7.798 1.00 0.00 C ATOM 221 O THR A 15 1.072 15.605 8.728 1.00 0.00 O ATOM 222 CB THR A 15 0.657 12.455 7.292 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.012 11.199 7.472 1.00 0.00 O ATOM 224 CG2 THR A 15 2.114 12.317 7.760 1.00 0.00 C ATOM 0 H THR A 15 -1.751 13.210 6.818 1.00 0.00 H new ATOM 0 HA THR A 15 -0.044 13.367 9.139 1.00 0.00 H new ATOM 0 HB THR A 15 0.656 12.732 6.238 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.847 11.197 6.959 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.604 11.523 7.196 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.640 13.257 7.595 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.133 12.072 8.822 1.00 0.00 H new ATOM 232 N CYS A 16 0.609 15.358 6.521 1.00 0.00 N ATOM 233 CA CYS A 16 1.469 16.455 6.035 1.00 0.00 C ATOM 234 C CYS A 16 0.679 17.750 5.766 1.00 0.00 C ATOM 235 O CYS A 16 1.244 18.707 5.226 1.00 0.00 O ATOM 236 CB CYS A 16 2.186 15.984 4.747 1.00 0.00 C ATOM 237 SG CYS A 16 3.297 14.589 5.020 1.00 0.00 S ATOM 0 H CYS A 16 0.024 14.946 5.794 1.00 0.00 H new ATOM 0 HA CYS A 16 2.195 16.693 6.813 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.438 15.705 4.005 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.754 16.816 4.330 1.00 0.00 H new ATOM 0 HG CYS A 16 3.904 14.294 3.909 1.00 0.00 H new ATOM 243 N ASP A 17 -0.613 17.768 6.179 1.00 0.00 N ATOM 244 CA ASP A 17 -1.557 18.888 5.943 1.00 0.00 C ATOM 245 C ASP A 17 -1.607 19.276 4.445 1.00 0.00 C ATOM 246 O ASP A 17 -1.021 20.276 4.017 1.00 0.00 O ATOM 247 CB ASP A 17 -1.241 20.100 6.878 1.00 0.00 C ATOM 248 CG ASP A 17 -2.243 21.267 6.743 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.450 21.063 7.005 1.00 0.00 O ATOM 250 OD2 ASP A 17 -1.825 22.398 6.405 1.00 0.00 O ATOM 0 H ASP A 17 -1.034 16.994 6.693 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.560 18.551 6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.234 19.757 7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.239 20.466 6.657 1.00 0.00 H new ATOM 255 N ILE A 18 -2.220 18.393 3.644 1.00 0.00 N ATOM 256 CA ILE A 18 -2.417 18.574 2.187 1.00 0.00 C ATOM 257 C ILE A 18 -3.933 18.577 1.892 1.00 0.00 C ATOM 258 O ILE A 18 -4.646 17.760 2.475 1.00 0.00 O ATOM 259 CB ILE A 18 -1.707 17.401 1.384 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.194 17.287 1.774 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.869 17.556 -0.158 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.671 18.483 1.410 1.00 0.00 C ATOM 0 H ILE A 18 -2.603 17.514 3.991 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.975 19.519 1.871 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.209 16.476 1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.126 17.126 2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.221 16.401 1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.367 16.730 -0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.928 17.547 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.426 18.499 -0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.698 18.298 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.644 18.637 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.292 19.373 1.913 1.00 0.00 H new ATOM 274 N PRO A 19 -4.474 19.497 1.016 1.00 0.00 N ATOM 275 CA PRO A 19 -5.908 19.488 0.653 1.00 0.00 C ATOM 276 C PRO A 19 -6.302 18.153 -0.022 1.00 0.00 C ATOM 277 O PRO A 19 -5.800 17.834 -1.099 1.00 0.00 O ATOM 278 CB PRO A 19 -6.072 20.710 -0.302 1.00 0.00 C ATOM 279 CG PRO A 19 -4.870 21.566 -0.034 1.00 0.00 C ATOM 280 CD PRO A 19 -3.760 20.602 0.327 1.00 0.00 C ATOM 0 HA PRO A 19 -6.565 19.567 1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.110 20.395 -1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.996 21.250 -0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.606 22.158 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.061 22.267 0.778 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.231 20.248 -0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.019 21.068 0.976 1.00 0.00 H new ATOM 288 N ARG A 20 -7.166 17.385 0.659 1.00 0.00 N ATOM 289 CA ARG A 20 -7.614 16.039 0.242 1.00 0.00 C ATOM 290 C ARG A 20 -8.246 16.084 -1.174 1.00 0.00 C ATOM 291 O ARG A 20 -8.061 15.157 -1.974 1.00 0.00 O ATOM 292 CB ARG A 20 -8.594 15.473 1.334 1.00 0.00 C ATOM 293 CG ARG A 20 -8.877 13.934 1.327 1.00 0.00 C ATOM 294 CD ARG A 20 -9.819 13.467 0.202 1.00 0.00 C ATOM 295 NE ARG A 20 -10.272 12.069 0.366 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.805 11.318 -0.614 1.00 0.00 C ATOM 297 NH1 ARG A 20 -10.847 11.757 -1.864 1.00 0.00 N ATOM 298 NH2 ARG A 20 -11.270 10.125 -0.330 1.00 0.00 N ATOM 0 H ARG A 20 -7.586 17.687 1.538 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.763 15.362 0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.194 15.736 2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.548 15.990 1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.930 13.403 1.235 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.309 13.652 2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.689 14.123 0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.308 13.567 -0.756 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.173 11.644 1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.472 12.677 -2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.255 11.175 -2.596 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.225 9.775 0.627 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.676 9.547 -1.066 1.00 0.00 H new ATOM 312 N GLU A 21 -8.948 17.187 -1.480 1.00 0.00 N ATOM 313 CA GLU A 21 -9.642 17.374 -2.775 1.00 0.00 C ATOM 314 C GLU A 21 -8.654 17.673 -3.930 1.00 0.00 C ATOM 315 O GLU A 21 -8.996 17.474 -5.099 1.00 0.00 O ATOM 316 CB GLU A 21 -10.711 18.496 -2.653 1.00 0.00 C ATOM 317 CG GLU A 21 -10.165 19.880 -2.264 1.00 0.00 C ATOM 318 CD GLU A 21 -11.283 20.919 -2.082 1.00 0.00 C ATOM 319 OE1 GLU A 21 -11.872 20.993 -0.978 1.00 0.00 O ATOM 320 OE2 GLU A 21 -11.601 21.640 -3.052 1.00 0.00 O ATOM 0 H GLU A 21 -9.053 17.976 -0.842 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.140 16.436 -3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.233 18.584 -3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.450 18.193 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.596 19.796 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.474 20.225 -3.033 1.00 0.00 H new ATOM 327 N THR A 22 -7.426 18.145 -3.596 1.00 0.00 N ATOM 328 CA THR A 22 -6.364 18.407 -4.602 1.00 0.00 C ATOM 329 C THR A 22 -5.434 17.183 -4.768 1.00 0.00 C ATOM 330 O THR A 22 -4.439 17.247 -5.501 1.00 0.00 O ATOM 331 CB THR A 22 -5.510 19.686 -4.249 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.741 19.496 -3.048 1.00 0.00 O ATOM 333 CG2 THR A 22 -6.396 20.932 -4.077 1.00 0.00 C ATOM 0 H THR A 22 -7.146 18.352 -2.637 1.00 0.00 H new ATOM 0 HA THR A 22 -6.874 18.594 -5.547 1.00 0.00 H new ATOM 0 HB THR A 22 -4.833 19.840 -5.089 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.191 18.844 -2.471 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.772 21.792 -3.835 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.936 21.125 -5.004 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.109 20.763 -3.270 1.00 0.00 H new ATOM 341 N ILE A 23 -5.769 16.064 -4.093 1.00 0.00 N ATOM 342 CA ILE A 23 -4.995 14.818 -4.154 1.00 0.00 C ATOM 343 C ILE A 23 -5.616 13.906 -5.237 1.00 0.00 C ATOM 344 O ILE A 23 -6.671 13.299 -5.024 1.00 0.00 O ATOM 345 CB ILE A 23 -4.984 14.116 -2.737 1.00 0.00 C ATOM 346 CG1 ILE A 23 -4.225 15.002 -1.698 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.385 12.691 -2.791 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.252 14.481 -0.271 1.00 0.00 C ATOM 0 H ILE A 23 -6.589 16.005 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.959 15.026 -4.420 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.021 14.009 -2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.186 15.098 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.656 16.003 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.400 12.252 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.975 12.074 -3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.357 12.742 -3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.699 15.163 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.284 14.412 0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.791 13.494 -0.235 1.00 0.00 H new ATOM 360 N THR A 24 -4.990 13.894 -6.427 1.00 0.00 N ATOM 361 CA THR A 24 -5.412 13.054 -7.571 1.00 0.00 C ATOM 362 C THR A 24 -4.509 11.808 -7.673 1.00 0.00 C ATOM 363 O THR A 24 -3.385 11.829 -7.161 1.00 0.00 O ATOM 364 CB THR A 24 -5.357 13.875 -8.905 1.00 0.00 C ATOM 365 OG1 THR A 24 -4.081 14.513 -9.038 1.00 0.00 O ATOM 366 CG2 THR A 24 -6.476 14.930 -8.966 1.00 0.00 C ATOM 0 H THR A 24 -4.172 14.469 -6.627 1.00 0.00 H new ATOM 0 HA THR A 24 -6.440 12.732 -7.407 1.00 0.00 H new ATOM 0 HB THR A 24 -5.504 13.178 -9.730 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.466 14.159 -8.362 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.407 15.480 -9.905 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.446 14.436 -8.906 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.369 15.622 -8.131 1.00 0.00 H new ATOM 374 N PRO A 25 -4.980 10.686 -8.315 1.00 0.00 N ATOM 375 CA PRO A 25 -4.154 9.466 -8.493 1.00 0.00 C ATOM 376 C PRO A 25 -2.916 9.706 -9.387 1.00 0.00 C ATOM 377 O PRO A 25 -1.936 8.968 -9.296 1.00 0.00 O ATOM 378 CB PRO A 25 -5.139 8.427 -9.113 1.00 0.00 C ATOM 379 CG PRO A 25 -6.507 8.983 -8.834 1.00 0.00 C ATOM 380 CD PRO A 25 -6.349 10.483 -8.876 1.00 0.00 C ATOM 0 HA PRO A 25 -3.728 9.123 -7.550 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.970 8.311 -10.183 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.012 7.443 -8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.228 8.643 -9.578 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.873 8.654 -7.862 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.432 10.870 -9.891 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.110 10.987 -8.280 1.00 0.00 H new ATOM 388 N GLU A 26 -2.933 10.793 -10.190 1.00 0.00 N ATOM 389 CA GLU A 26 -1.831 11.122 -11.126 1.00 0.00 C ATOM 390 C GLU A 26 -0.728 11.932 -10.412 1.00 0.00 C ATOM 391 O GLU A 26 0.290 12.273 -11.022 1.00 0.00 O ATOM 392 CB GLU A 26 -2.385 11.940 -12.325 1.00 0.00 C ATOM 393 CG GLU A 26 -2.908 13.352 -11.957 1.00 0.00 C ATOM 394 CD GLU A 26 -3.426 14.149 -13.167 1.00 0.00 C ATOM 395 OE1 GLU A 26 -2.600 14.608 -13.988 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.659 14.310 -13.312 1.00 0.00 O ATOM 0 H GLU A 26 -3.703 11.462 -10.209 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.398 10.190 -11.488 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.598 12.042 -13.073 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.195 11.377 -12.789 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.710 13.254 -11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.107 13.914 -11.478 1.00 0.00 H new ATOM 403 N SER A 27 -0.943 12.240 -9.120 1.00 0.00 N ATOM 404 CA SER A 27 -0.036 13.086 -8.337 1.00 0.00 C ATOM 405 C SER A 27 1.206 12.302 -7.906 1.00 0.00 C ATOM 406 O SER A 27 1.094 11.179 -7.426 1.00 0.00 O ATOM 407 CB SER A 27 -0.761 13.636 -7.091 1.00 0.00 C ATOM 408 OG SER A 27 -1.816 14.507 -7.450 1.00 0.00 O ATOM 0 H SER A 27 -1.751 11.908 -8.594 1.00 0.00 H new ATOM 0 HA SER A 27 0.278 13.918 -8.968 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.155 12.808 -6.503 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.049 14.166 -6.458 1.00 0.00 H new ATOM 0 HG SER A 27 -1.461 15.409 -7.595 1.00 0.00 H new ATOM 414 N HIS A 28 2.381 12.906 -8.104 1.00 0.00 N ATOM 415 CA HIS A 28 3.645 12.411 -7.560 1.00 0.00 C ATOM 416 C HIS A 28 3.848 13.089 -6.196 1.00 0.00 C ATOM 417 O HIS A 28 3.808 14.311 -6.126 1.00 0.00 O ATOM 418 CB HIS A 28 4.808 12.756 -8.515 1.00 0.00 C ATOM 419 CG HIS A 28 6.108 12.080 -8.153 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.888 12.505 -7.104 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.706 11.026 -8.738 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.935 11.703 -7.090 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.875 10.792 -8.064 1.00 0.00 N ATOM 0 H HIS A 28 2.481 13.761 -8.652 1.00 0.00 H new ATOM 0 HA HIS A 28 3.622 11.327 -7.449 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.530 12.471 -9.530 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.958 13.836 -8.517 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.333 10.467 -9.584 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.743 11.775 -6.377 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.563 10.066 -8.266 1.00 0.00 H new ATOM 431 N ALA A 29 4.031 12.301 -5.131 1.00 0.00 N ATOM 432 CA ALA A 29 4.205 12.800 -3.746 1.00 0.00 C ATOM 433 C ALA A 29 5.257 13.926 -3.621 1.00 0.00 C ATOM 434 O ALA A 29 5.058 14.876 -2.877 1.00 0.00 O ATOM 435 CB ALA A 29 4.559 11.632 -2.814 1.00 0.00 C ATOM 0 H ALA A 29 4.064 11.284 -5.199 1.00 0.00 H new ATOM 0 HA ALA A 29 3.254 13.242 -3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.686 12.004 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.756 10.895 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.486 11.167 -3.149 1.00 0.00 H new ATOM 441 N ILE A 30 6.329 13.852 -4.418 1.00 0.00 N ATOM 442 CA ILE A 30 7.498 14.743 -4.281 1.00 0.00 C ATOM 443 C ILE A 30 7.438 15.848 -5.354 1.00 0.00 C ATOM 444 O ILE A 30 7.509 17.044 -5.046 1.00 0.00 O ATOM 445 CB ILE A 30 8.832 13.904 -4.394 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.912 12.859 -3.225 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.093 14.803 -4.439 1.00 0.00 C ATOM 448 CD1 ILE A 30 10.141 11.965 -3.244 1.00 0.00 C ATOM 0 H ILE A 30 6.415 13.176 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 30 7.483 15.219 -3.301 1.00 0.00 H new ATOM 0 HB ILE A 30 8.807 13.367 -5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.886 13.395 -2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.023 12.229 -3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.983 14.178 -4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.038 15.465 -5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.147 15.400 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.105 11.279 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.162 11.395 -4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.039 12.579 -3.175 1.00 0.00 H new ATOM 460 N ASP A 31 7.249 15.420 -6.609 1.00 0.00 N ATOM 461 CA ASP A 31 7.330 16.289 -7.805 1.00 0.00 C ATOM 462 C ASP A 31 6.056 17.143 -7.983 1.00 0.00 C ATOM 463 O ASP A 31 6.126 18.279 -8.467 1.00 0.00 O ATOM 464 CB ASP A 31 7.601 15.393 -9.052 1.00 0.00 C ATOM 465 CG ASP A 31 7.479 16.115 -10.413 1.00 0.00 C ATOM 466 OD1 ASP A 31 8.461 16.744 -10.864 1.00 0.00 O ATOM 467 OD2 ASP A 31 6.398 16.045 -11.042 1.00 0.00 O ATOM 0 H ASP A 31 7.032 14.449 -6.832 1.00 0.00 H new ATOM 0 HA ASP A 31 8.150 16.996 -7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.604 14.974 -8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.903 14.556 -9.038 1.00 0.00 H new ATOM 472 N ASP A 32 4.896 16.599 -7.584 1.00 0.00 N ATOM 473 CA ASP A 32 3.585 17.267 -7.765 1.00 0.00 C ATOM 474 C ASP A 32 3.071 17.873 -6.441 1.00 0.00 C ATOM 475 O ASP A 32 2.727 19.053 -6.395 1.00 0.00 O ATOM 476 CB ASP A 32 2.563 16.255 -8.347 1.00 0.00 C ATOM 477 CG ASP A 32 1.157 16.844 -8.575 1.00 0.00 C ATOM 478 OD1 ASP A 32 0.900 17.409 -9.660 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.295 16.737 -7.675 1.00 0.00 O ATOM 0 H ASP A 32 4.833 15.689 -7.128 1.00 0.00 H new ATOM 0 HA ASP A 32 3.709 18.092 -8.467 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.944 15.874 -9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.484 15.404 -7.670 1.00 0.00 H new ATOM 484 N LEU A 33 3.000 17.048 -5.376 1.00 0.00 N ATOM 485 CA LEU A 33 2.445 17.457 -4.059 1.00 0.00 C ATOM 486 C LEU A 33 3.452 18.267 -3.211 1.00 0.00 C ATOM 487 O LEU A 33 3.057 18.888 -2.219 1.00 0.00 O ATOM 488 CB LEU A 33 1.989 16.211 -3.258 1.00 0.00 C ATOM 489 CG LEU A 33 0.864 15.332 -3.888 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.542 14.135 -2.966 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.401 16.167 -4.203 1.00 0.00 C ATOM 0 H LEU A 33 3.324 16.081 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 33 1.593 18.104 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.861 15.578 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.648 16.545 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 33 1.227 14.941 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.244 13.530 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.437 13.527 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.206 14.503 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.163 15.522 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.784 16.609 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.148 16.959 -4.908 1.00 0.00 H new ATOM 503 N GLY A 34 4.746 18.234 -3.591 1.00 0.00 N ATOM 504 CA GLY A 34 5.799 18.987 -2.882 1.00 0.00 C ATOM 505 C GLY A 34 6.086 18.470 -1.470 1.00 0.00 C ATOM 506 O GLY A 34 6.502 19.231 -0.586 1.00 0.00 O ATOM 0 H GLY A 34 5.086 17.693 -4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.718 18.946 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.505 20.035 -2.822 1.00 0.00 H new ATOM 510 N ILE A 35 5.864 17.170 -1.271 1.00 0.00 N ATOM 511 CA ILE A 35 6.132 16.473 -0.002 1.00 0.00 C ATOM 512 C ILE A 35 7.519 15.822 -0.110 1.00 0.00 C ATOM 513 O ILE A 35 7.769 15.092 -1.069 1.00 0.00 O ATOM 514 CB ILE A 35 5.040 15.364 0.252 1.00 0.00 C ATOM 515 CG1 ILE A 35 3.618 16.008 0.278 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.316 14.553 1.547 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.475 15.012 0.291 1.00 0.00 C ATOM 0 H ILE A 35 5.487 16.558 -1.995 1.00 0.00 H new ATOM 0 HA ILE A 35 6.101 17.178 0.829 1.00 0.00 H new ATOM 0 HB ILE A 35 5.089 14.654 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.538 16.645 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.510 16.654 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.537 13.802 1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.285 14.061 1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.319 15.226 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.526 15.548 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.524 14.390 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.552 14.381 1.176 1.00 0.00 H new ATOM 529 N ASP A 36 8.414 16.111 0.843 1.00 0.00 N ATOM 530 CA ASP A 36 9.771 15.514 0.889 1.00 0.00 C ATOM 531 C ASP A 36 9.677 14.027 1.274 1.00 0.00 C ATOM 532 O ASP A 36 8.709 13.629 1.930 1.00 0.00 O ATOM 533 CB ASP A 36 10.661 16.308 1.878 1.00 0.00 C ATOM 534 CG ASP A 36 12.096 15.770 1.977 1.00 0.00 C ATOM 535 OD1 ASP A 36 12.871 15.942 1.012 1.00 0.00 O ATOM 536 OD2 ASP A 36 12.455 15.169 3.005 1.00 0.00 O ATOM 0 H ASP A 36 8.227 16.762 1.605 1.00 0.00 H new ATOM 0 HA ASP A 36 10.233 15.573 -0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.693 17.352 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.203 16.284 2.867 1.00 0.00 H new ATOM 541 N SER A 37 10.683 13.210 0.868 1.00 0.00 N ATOM 542 CA SER A 37 10.635 11.753 1.025 1.00 0.00 C ATOM 543 C SER A 37 10.505 11.337 2.500 1.00 0.00 C ATOM 544 O SER A 37 9.848 10.347 2.794 1.00 0.00 O ATOM 545 CB SER A 37 11.871 11.100 0.402 1.00 0.00 C ATOM 546 OG SER A 37 11.800 9.670 0.533 1.00 0.00 O ATOM 0 H SER A 37 11.538 13.550 0.428 1.00 0.00 H new ATOM 0 HA SER A 37 9.745 11.404 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.943 11.372 -0.651 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.772 11.472 0.890 1.00 0.00 H new ATOM 0 HG SER A 37 12.596 9.265 0.129 1.00 0.00 H new ATOM 551 N LEU A 38 11.115 12.118 3.412 1.00 0.00 N ATOM 552 CA LEU A 38 11.036 11.857 4.865 1.00 0.00 C ATOM 553 C LEU A 38 9.579 11.985 5.357 1.00 0.00 C ATOM 554 O LEU A 38 9.107 11.147 6.120 1.00 0.00 O ATOM 555 CB LEU A 38 11.972 12.811 5.663 1.00 0.00 C ATOM 556 CG LEU A 38 13.499 12.487 5.644 1.00 0.00 C ATOM 557 CD1 LEU A 38 13.792 11.099 6.247 1.00 0.00 C ATOM 558 CD2 LEU A 38 14.097 12.626 4.234 1.00 0.00 C ATOM 0 H LEU A 38 11.670 12.938 3.168 1.00 0.00 H new ATOM 0 HA LEU A 38 11.375 10.836 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.835 13.821 5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.641 12.820 6.701 1.00 0.00 H new ATOM 0 HG LEU A 38 13.990 13.228 6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.865 10.908 6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.448 11.071 7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.271 10.335 5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.161 12.392 4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.594 11.937 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.961 13.648 3.880 1.00 0.00 H new ATOM 570 N ASP A 39 8.892 13.033 4.893 1.00 0.00 N ATOM 571 CA ASP A 39 7.478 13.298 5.223 1.00 0.00 C ATOM 572 C ASP A 39 6.564 12.260 4.548 1.00 0.00 C ATOM 573 O ASP A 39 5.501 11.934 5.074 1.00 0.00 O ATOM 574 CB ASP A 39 7.095 14.728 4.775 1.00 0.00 C ATOM 575 CG ASP A 39 8.013 15.814 5.358 1.00 0.00 C ATOM 576 OD1 ASP A 39 9.139 15.980 4.844 1.00 0.00 O ATOM 577 OD2 ASP A 39 7.616 16.516 6.317 1.00 0.00 O ATOM 0 H ASP A 39 9.301 13.731 4.272 1.00 0.00 H new ATOM 0 HA ASP A 39 7.346 13.218 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.127 14.781 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.067 14.932 5.074 1.00 0.00 H new ATOM 582 N PHE A 40 7.013 11.732 3.390 1.00 0.00 N ATOM 583 CA PHE A 40 6.328 10.643 2.679 1.00 0.00 C ATOM 584 C PHE A 40 6.413 9.344 3.509 1.00 0.00 C ATOM 585 O PHE A 40 5.487 8.544 3.485 1.00 0.00 O ATOM 586 CB PHE A 40 6.941 10.431 1.268 1.00 0.00 C ATOM 587 CG PHE A 40 6.333 9.261 0.491 1.00 0.00 C ATOM 588 CD1 PHE A 40 5.088 9.383 -0.120 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.998 8.034 0.385 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.534 8.330 -0.813 1.00 0.00 C ATOM 591 CE2 PHE A 40 6.436 6.980 -0.308 1.00 0.00 C ATOM 592 CZ PHE A 40 5.207 7.128 -0.907 1.00 0.00 C ATOM 0 H PHE A 40 7.862 12.052 2.925 1.00 0.00 H new ATOM 0 HA PHE A 40 5.280 10.914 2.550 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.813 11.344 0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.014 10.266 1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.549 10.316 -0.049 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.964 7.910 0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.569 8.445 -1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.962 6.039 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.768 6.304 -1.451 1.00 0.00 H new ATOM 602 N LEU A 41 7.545 9.152 4.230 1.00 0.00 N ATOM 603 CA LEU A 41 7.742 7.989 5.127 1.00 0.00 C ATOM 604 C LEU A 41 6.722 8.045 6.273 1.00 0.00 C ATOM 605 O LEU A 41 6.155 7.024 6.637 1.00 0.00 O ATOM 606 CB LEU A 41 9.186 7.939 5.698 1.00 0.00 C ATOM 607 CG LEU A 41 10.329 7.884 4.645 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.711 7.905 5.311 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.176 6.672 3.701 1.00 0.00 C ATOM 0 H LEU A 41 8.339 9.792 4.206 1.00 0.00 H new ATOM 0 HA LEU A 41 7.590 7.082 4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.338 8.816 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.271 7.065 6.344 1.00 0.00 H new ATOM 0 HG LEU A 41 10.248 8.783 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.485 7.865 4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.821 8.821 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.810 7.043 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.993 6.667 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.202 5.751 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.225 6.740 3.172 1.00 0.00 H new ATOM 621 N ASP A 42 6.490 9.270 6.807 1.00 0.00 N ATOM 622 CA ASP A 42 5.457 9.532 7.839 1.00 0.00 C ATOM 623 C ASP A 42 4.059 9.172 7.301 1.00 0.00 C ATOM 624 O ASP A 42 3.255 8.571 8.018 1.00 0.00 O ATOM 625 CB ASP A 42 5.491 11.015 8.302 1.00 0.00 C ATOM 626 CG ASP A 42 6.742 11.365 9.122 1.00 0.00 C ATOM 627 OD1 ASP A 42 7.775 11.737 8.536 1.00 0.00 O ATOM 628 OD2 ASP A 42 6.700 11.262 10.366 1.00 0.00 O ATOM 0 H ASP A 42 7.013 10.102 6.535 1.00 0.00 H new ATOM 0 HA ASP A 42 5.676 8.903 8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.445 11.663 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.603 11.223 8.899 1.00 0.00 H new ATOM 633 N ILE A 43 3.792 9.547 6.030 1.00 0.00 N ATOM 634 CA ILE A 43 2.536 9.191 5.328 1.00 0.00 C ATOM 635 C ILE A 43 2.429 7.668 5.153 1.00 0.00 C ATOM 636 O ILE A 43 1.373 7.088 5.364 1.00 0.00 O ATOM 637 CB ILE A 43 2.437 9.874 3.903 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.432 11.427 4.019 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.195 9.379 3.104 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.445 12.164 2.691 1.00 0.00 C ATOM 0 H ILE A 43 4.435 10.101 5.464 1.00 0.00 H new ATOM 0 HA ILE A 43 1.717 9.557 5.947 1.00 0.00 H new ATOM 0 HB ILE A 43 3.326 9.575 3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.549 11.733 4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.301 11.737 4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.166 9.873 2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.261 8.301 2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.287 9.616 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.440 13.239 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.342 11.893 2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.562 11.889 2.114 1.00 0.00 H new ATOM 652 N ALA A 44 3.557 7.032 4.807 1.00 0.00 N ATOM 653 CA ALA A 44 3.595 5.630 4.354 1.00 0.00 C ATOM 654 C ALA A 44 3.548 4.661 5.545 1.00 0.00 C ATOM 655 O ALA A 44 3.127 3.521 5.392 1.00 0.00 O ATOM 656 CB ALA A 44 4.848 5.400 3.501 1.00 0.00 C ATOM 0 H ALA A 44 4.475 7.476 4.833 1.00 0.00 H new ATOM 0 HA ALA A 44 2.713 5.433 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.875 4.363 3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.824 6.060 2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.737 5.613 4.095 1.00 0.00 H new ATOM 662 N PHE A 45 4.012 5.139 6.722 1.00 0.00 N ATOM 663 CA PHE A 45 3.864 4.434 8.012 1.00 0.00 C ATOM 664 C PHE A 45 2.429 4.597 8.521 1.00 0.00 C ATOM 665 O PHE A 45 1.875 3.677 9.116 1.00 0.00 O ATOM 666 CB PHE A 45 4.878 4.947 9.082 1.00 0.00 C ATOM 667 CG PHE A 45 6.285 4.346 8.963 1.00 0.00 C ATOM 668 CD1 PHE A 45 6.489 2.986 9.198 1.00 0.00 C ATOM 669 CD2 PHE A 45 7.395 5.124 8.637 1.00 0.00 C ATOM 670 CE1 PHE A 45 7.751 2.425 9.107 1.00 0.00 C ATOM 671 CE2 PHE A 45 8.656 4.566 8.543 1.00 0.00 C ATOM 672 CZ PHE A 45 8.832 3.217 8.780 1.00 0.00 C ATOM 0 H PHE A 45 4.502 6.030 6.802 1.00 0.00 H new ATOM 0 HA PHE A 45 4.081 3.379 7.845 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.952 6.032 9.004 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.484 4.725 10.074 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.647 2.360 9.455 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.267 6.181 8.455 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.889 1.370 9.292 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.503 5.184 8.284 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.818 2.781 8.709 1.00 0.00 H new ATOM 682 N ALA A 46 1.838 5.782 8.267 1.00 0.00 N ATOM 683 CA ALA A 46 0.425 6.056 8.585 1.00 0.00 C ATOM 684 C ALA A 46 -0.503 5.140 7.749 1.00 0.00 C ATOM 685 O ALA A 46 -1.528 4.664 8.238 1.00 0.00 O ATOM 686 CB ALA A 46 0.117 7.542 8.347 1.00 0.00 C ATOM 0 H ALA A 46 2.324 6.570 7.839 1.00 0.00 H new ATOM 0 HA ALA A 46 0.241 5.836 9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.929 7.739 8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.755 8.153 8.986 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.306 7.790 7.302 1.00 0.00 H new ATOM 692 N ILE A 47 -0.095 4.891 6.492 1.00 0.00 N ATOM 693 CA ILE A 47 -0.757 3.937 5.580 1.00 0.00 C ATOM 694 C ILE A 47 -0.549 2.494 6.074 1.00 0.00 C ATOM 695 O ILE A 47 -1.508 1.726 6.188 1.00 0.00 O ATOM 696 CB ILE A 47 -0.189 4.089 4.115 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.590 5.464 3.485 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.632 2.926 3.208 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.071 5.788 2.146 1.00 0.00 C ATOM 0 H ILE A 47 0.714 5.352 6.074 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.824 4.158 5.568 1.00 0.00 H new ATOM 0 HB ILE A 47 0.898 4.056 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.672 5.482 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.344 6.255 4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.221 3.067 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.269 1.985 3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.720 2.902 3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.274 6.761 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.154 5.810 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.195 5.025 1.415 1.00 0.00 H new ATOM 711 N ASP A 48 0.723 2.170 6.352 1.00 0.00 N ATOM 712 CA ASP A 48 1.188 0.838 6.793 1.00 0.00 C ATOM 713 C ASP A 48 0.298 0.305 7.944 1.00 0.00 C ATOM 714 O ASP A 48 -0.288 -0.781 7.857 1.00 0.00 O ATOM 715 CB ASP A 48 2.676 0.990 7.236 1.00 0.00 C ATOM 716 CG ASP A 48 3.441 -0.317 7.488 1.00 0.00 C ATOM 717 OD1 ASP A 48 3.205 -0.967 8.520 1.00 0.00 O ATOM 718 OD2 ASP A 48 4.330 -0.672 6.679 1.00 0.00 O ATOM 0 H ASP A 48 1.483 2.846 6.275 1.00 0.00 H new ATOM 0 HA ASP A 48 1.116 0.111 5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.206 1.556 6.470 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.703 1.585 8.149 1.00 0.00 H new ATOM 723 N LYS A 49 0.153 1.146 8.971 1.00 0.00 N ATOM 724 CA LYS A 49 -0.639 0.856 10.176 1.00 0.00 C ATOM 725 C LYS A 49 -2.153 0.797 9.862 1.00 0.00 C ATOM 726 O LYS A 49 -2.826 -0.163 10.254 1.00 0.00 O ATOM 727 CB LYS A 49 -0.330 1.941 11.240 1.00 0.00 C ATOM 728 CG LYS A 49 1.150 1.971 11.710 1.00 0.00 C ATOM 729 CD LYS A 49 1.555 3.300 12.408 1.00 0.00 C ATOM 730 CE LYS A 49 0.731 3.609 13.669 1.00 0.00 C ATOM 731 NZ LYS A 49 0.933 2.593 14.731 1.00 0.00 N ATOM 0 H LYS A 49 0.591 2.067 8.992 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.364 -0.126 10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.589 2.918 10.832 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.971 1.777 12.106 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.321 1.143 12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.799 1.810 10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.610 3.253 12.676 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.442 4.121 11.700 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.008 4.592 14.051 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.326 3.655 13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.359 2.841 15.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.644 1.659 14.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.937 2.566 14.999 1.00 0.00 H new ATOM 745 N ALA A 50 -2.669 1.815 9.133 1.00 0.00 N ATOM 746 CA ALA A 50 -4.126 1.977 8.864 1.00 0.00 C ATOM 747 C ALA A 50 -4.735 0.779 8.093 1.00 0.00 C ATOM 748 O ALA A 50 -5.832 0.313 8.421 1.00 0.00 O ATOM 749 CB ALA A 50 -4.377 3.285 8.093 1.00 0.00 C ATOM 0 H ALA A 50 -2.094 2.546 8.715 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.625 2.015 9.832 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.444 3.395 7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.026 4.130 8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.839 3.258 7.146 1.00 0.00 H new ATOM 755 N PHE A 51 -4.021 0.324 7.050 1.00 0.00 N ATOM 756 CA PHE A 51 -4.433 -0.827 6.214 1.00 0.00 C ATOM 757 C PHE A 51 -4.031 -2.177 6.842 1.00 0.00 C ATOM 758 O PHE A 51 -4.447 -3.233 6.342 1.00 0.00 O ATOM 759 CB PHE A 51 -3.808 -0.702 4.807 1.00 0.00 C ATOM 760 CG PHE A 51 -4.340 0.435 3.945 1.00 0.00 C ATOM 761 CD1 PHE A 51 -3.904 1.745 4.128 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.241 0.184 2.914 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.358 2.760 3.318 1.00 0.00 C ATOM 764 CE2 PHE A 51 -5.684 1.198 2.104 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.238 2.481 2.302 1.00 0.00 C ATOM 0 H PHE A 51 -3.138 0.742 6.758 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.521 -0.807 6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.731 -0.575 4.918 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.965 -1.640 4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.200 1.967 4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.596 -0.823 2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.023 3.774 3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.384 0.987 1.310 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.581 3.275 1.655 1.00 0.00 H new ATOM 775 N GLY A 52 -3.219 -2.141 7.927 1.00 0.00 N ATOM 776 CA GLY A 52 -2.729 -3.352 8.602 1.00 0.00 C ATOM 777 C GLY A 52 -1.874 -4.239 7.695 1.00 0.00 C ATOM 778 O GLY A 52 -1.980 -5.468 7.728 1.00 0.00 O ATOM 0 H GLY A 52 -2.891 -1.273 8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.143 -3.063 9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.580 -3.928 8.966 1.00 0.00 H new ATOM 782 N ILE A 53 -1.053 -3.586 6.863 1.00 0.00 N ATOM 783 CA ILE A 53 -0.101 -4.232 5.933 1.00 0.00 C ATOM 784 C ILE A 53 1.305 -3.693 6.206 1.00 0.00 C ATOM 785 O ILE A 53 1.460 -2.800 7.037 1.00 0.00 O ATOM 786 CB ILE A 53 -0.534 -4.020 4.412 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.952 -2.529 4.109 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.679 -4.993 4.043 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.168 -1.529 3.939 1.00 0.00 C ATOM 0 H ILE A 53 -1.027 -2.568 6.812 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.106 -5.309 6.104 1.00 0.00 H new ATOM 0 HB ILE A 53 0.336 -4.237 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.554 -2.523 3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.595 -2.185 4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.966 -4.839 3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.341 -6.020 4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.538 -4.806 4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.252 -0.544 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.762 -1.489 4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.803 -1.832 3.107 1.00 0.00 H new ATOM 801 N LYS A 54 2.331 -4.235 5.531 1.00 0.00 N ATOM 802 CA LYS A 54 3.715 -3.737 5.658 1.00 0.00 C ATOM 803 C LYS A 54 4.236 -3.321 4.280 1.00 0.00 C ATOM 804 O LYS A 54 4.501 -4.181 3.434 1.00 0.00 O ATOM 805 CB LYS A 54 4.656 -4.801 6.305 1.00 0.00 C ATOM 806 CG LYS A 54 4.180 -5.371 7.668 1.00 0.00 C ATOM 807 CD LYS A 54 3.948 -4.310 8.786 1.00 0.00 C ATOM 808 CE LYS A 54 5.229 -3.627 9.317 1.00 0.00 C ATOM 809 NZ LYS A 54 5.790 -2.617 8.381 1.00 0.00 N ATOM 0 H LYS A 54 2.230 -5.021 4.889 1.00 0.00 H new ATOM 0 HA LYS A 54 3.708 -2.871 6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.775 -5.629 5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.641 -4.355 6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.251 -5.918 7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.918 -6.091 8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.277 -3.541 8.402 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.438 -4.790 9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.007 -3.145 10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.984 -4.389 9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.202 -1.831 8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.528 -3.058 7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.033 -2.254 7.767 1.00 0.00 H new ATOM 823 N LEU A 55 4.337 -2.002 4.035 1.00 0.00 N ATOM 824 CA LEU A 55 4.962 -1.457 2.828 1.00 0.00 C ATOM 825 C LEU A 55 6.499 -1.537 2.981 1.00 0.00 C ATOM 826 O LEU A 55 7.033 -0.953 3.936 1.00 0.00 O ATOM 827 CB LEU A 55 4.547 0.027 2.621 1.00 0.00 C ATOM 828 CG LEU A 55 3.026 0.331 2.452 1.00 0.00 C ATOM 829 CD1 LEU A 55 2.778 1.855 2.283 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.426 -0.465 1.269 1.00 0.00 C ATOM 0 H LEU A 55 3.985 -1.288 4.673 1.00 0.00 H new ATOM 0 HA LEU A 55 4.634 -2.037 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.912 0.601 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.065 0.402 1.738 1.00 0.00 H new ATOM 0 HG LEU A 55 2.518 0.008 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.710 2.039 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.144 2.383 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.306 2.214 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.365 -0.233 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.940 -0.191 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.549 -1.533 1.449 1.00 0.00 H new ATOM 842 N PRO A 56 7.233 -2.271 2.080 1.00 0.00 N ATOM 843 CA PRO A 56 8.708 -2.345 2.129 1.00 0.00 C ATOM 844 C PRO A 56 9.368 -1.048 1.596 1.00 0.00 C ATOM 845 O PRO A 56 10.005 -1.052 0.544 1.00 0.00 O ATOM 846 CB PRO A 56 9.022 -3.590 1.258 1.00 0.00 C ATOM 847 CG PRO A 56 7.905 -3.637 0.250 1.00 0.00 C ATOM 848 CD PRO A 56 6.676 -3.104 0.969 1.00 0.00 C ATOM 0 HA PRO A 56 9.106 -2.436 3.140 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.993 -3.499 0.771 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.052 -4.498 1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.141 -3.030 -0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.740 -4.655 -0.104 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.050 -2.511 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.056 -3.915 1.351 1.00 0.00 H new ATOM 856 N LEU A 57 9.226 0.051 2.372 1.00 0.00 N ATOM 857 CA LEU A 57 9.671 1.414 1.982 1.00 0.00 C ATOM 858 C LEU A 57 11.182 1.487 1.780 1.00 0.00 C ATOM 859 O LEU A 57 11.636 2.125 0.848 1.00 0.00 O ATOM 860 CB LEU A 57 9.225 2.487 3.041 1.00 0.00 C ATOM 861 CG LEU A 57 8.087 3.457 2.585 1.00 0.00 C ATOM 862 CD1 LEU A 57 8.527 4.313 1.377 1.00 0.00 C ATOM 863 CD2 LEU A 57 6.798 2.685 2.274 1.00 0.00 C ATOM 0 H LEU A 57 8.795 0.019 3.296 1.00 0.00 H new ATOM 0 HA LEU A 57 9.189 1.636 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.896 1.968 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.096 3.082 3.317 1.00 0.00 H new ATOM 0 HG LEU A 57 7.881 4.136 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.713 4.976 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.399 4.907 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.780 3.660 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.023 3.383 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.987 1.968 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.467 2.154 3.167 1.00 0.00 H new ATOM 875 N GLU A 58 11.932 0.835 2.676 1.00 0.00 N ATOM 876 CA GLU A 58 13.405 0.837 2.649 1.00 0.00 C ATOM 877 C GLU A 58 13.902 0.214 1.330 1.00 0.00 C ATOM 878 O GLU A 58 14.843 0.717 0.700 1.00 0.00 O ATOM 879 CB GLU A 58 13.932 0.071 3.898 1.00 0.00 C ATOM 880 CG GLU A 58 15.424 0.275 4.241 1.00 0.00 C ATOM 881 CD GLU A 58 16.422 -0.407 3.274 1.00 0.00 C ATOM 882 OE1 GLU A 58 16.318 -1.640 3.076 1.00 0.00 O ATOM 883 OE2 GLU A 58 17.311 0.274 2.712 1.00 0.00 O ATOM 0 H GLU A 58 11.537 0.290 3.442 1.00 0.00 H new ATOM 0 HA GLU A 58 13.790 1.856 2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.337 0.372 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.757 -0.994 3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.633 1.345 4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.604 -0.102 5.248 1.00 0.00 H new ATOM 890 N LYS A 59 13.233 -0.876 0.926 1.00 0.00 N ATOM 891 CA LYS A 59 13.533 -1.576 -0.330 1.00 0.00 C ATOM 892 C LYS A 59 13.140 -0.710 -1.536 1.00 0.00 C ATOM 893 O LYS A 59 13.910 -0.578 -2.475 1.00 0.00 O ATOM 894 CB LYS A 59 12.801 -2.933 -0.388 1.00 0.00 C ATOM 895 CG LYS A 59 13.194 -3.821 -1.595 1.00 0.00 C ATOM 896 CD LYS A 59 12.320 -5.092 -1.705 1.00 0.00 C ATOM 897 CE LYS A 59 10.846 -4.762 -1.999 1.00 0.00 C ATOM 898 NZ LYS A 59 10.688 -4.043 -3.287 1.00 0.00 N ATOM 0 H LYS A 59 12.471 -1.295 1.459 1.00 0.00 H new ATOM 0 HA LYS A 59 14.607 -1.761 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.004 -3.481 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.727 -2.751 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.103 -3.241 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.241 -4.111 -1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.711 -5.732 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.385 -5.657 -0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.265 -5.684 -2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.442 -4.153 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.676 -3.928 -3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.136 -3.107 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.141 -4.589 -4.047 1.00 0.00 H new ATOM 912 N TRP A 60 11.944 -0.091 -1.466 1.00 0.00 N ATOM 913 CA TRP A 60 11.431 0.819 -2.515 1.00 0.00 C ATOM 914 C TRP A 60 12.412 1.982 -2.753 1.00 0.00 C ATOM 915 O TRP A 60 12.694 2.350 -3.890 1.00 0.00 O ATOM 916 CB TRP A 60 10.032 1.377 -2.111 1.00 0.00 C ATOM 917 CG TRP A 60 8.895 0.376 -2.140 1.00 0.00 C ATOM 918 CD1 TRP A 60 8.948 -0.952 -2.483 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.523 0.648 -1.823 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.701 -1.507 -2.395 1.00 0.00 N ATOM 921 CE2 TRP A 60 6.811 -0.554 -1.998 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.834 1.789 -1.408 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.441 -0.646 -1.773 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.472 1.701 -1.190 1.00 0.00 C ATOM 925 CH2 TRP A 60 4.790 0.488 -1.370 1.00 0.00 C ATOM 0 H TRP A 60 11.304 -0.207 -0.680 1.00 0.00 H new ATOM 0 HA TRP A 60 11.333 0.252 -3.441 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.102 1.791 -1.105 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.783 2.202 -2.778 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.842 -1.481 -2.779 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.473 -2.481 -2.595 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.356 2.723 -1.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.912 -1.577 -1.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.925 2.578 -0.877 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.726 0.449 -1.186 1.00 0.00 H new ATOM 936 N THR A 61 12.950 2.486 -1.635 1.00 0.00 N ATOM 937 CA THR A 61 13.865 3.625 -1.600 1.00 0.00 C ATOM 938 C THR A 61 15.235 3.259 -2.193 1.00 0.00 C ATOM 939 O THR A 61 15.789 4.031 -2.995 1.00 0.00 O ATOM 940 CB THR A 61 14.026 4.139 -0.132 1.00 0.00 C ATOM 941 OG1 THR A 61 12.758 4.578 0.372 1.00 0.00 O ATOM 942 CG2 THR A 61 15.032 5.284 -0.022 1.00 0.00 C ATOM 0 H THR A 61 12.754 2.102 -0.711 1.00 0.00 H new ATOM 0 HA THR A 61 13.440 4.421 -2.211 1.00 0.00 H new ATOM 0 HB THR A 61 14.404 3.305 0.459 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.215 3.799 0.614 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.107 5.604 1.017 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.008 4.945 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.700 6.121 -0.636 1.00 0.00 H new ATOM 950 N GLN A 62 15.760 2.064 -1.841 1.00 0.00 N ATOM 951 CA GLN A 62 17.111 1.648 -2.264 1.00 0.00 C ATOM 952 C GLN A 62 17.097 1.347 -3.777 1.00 0.00 C ATOM 953 O GLN A 62 18.089 1.559 -4.464 1.00 0.00 O ATOM 954 CB GLN A 62 17.625 0.416 -1.444 1.00 0.00 C ATOM 955 CG GLN A 62 16.946 -0.920 -1.757 1.00 0.00 C ATOM 956 CD GLN A 62 17.485 -2.085 -0.930 1.00 0.00 C ATOM 957 OE1 GLN A 62 16.924 -2.300 0.250 1.00 0.00 O flip ATOM 958 NE2 GLN A 62 18.422 -2.764 -1.337 1.00 0.00 N flip ATOM 0 H GLN A 62 15.270 1.376 -1.269 1.00 0.00 H new ATOM 0 HA GLN A 62 17.806 2.463 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.696 0.308 -1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.495 0.629 -0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.875 -0.824 -1.580 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.076 -1.145 -2.816 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.832 -2.572 -2.251 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.792 -3.521 -0.761 1.00 0.00 H new ATOM 967 N GLU A 63 15.927 0.874 -4.274 1.00 0.00 N ATOM 968 CA GLU A 63 15.687 0.651 -5.710 1.00 0.00 C ATOM 969 C GLU A 63 15.721 1.984 -6.481 1.00 0.00 C ATOM 970 O GLU A 63 16.386 2.086 -7.516 1.00 0.00 O ATOM 971 CB GLU A 63 14.325 -0.062 -5.931 1.00 0.00 C ATOM 972 CG GLU A 63 14.252 -1.504 -5.405 1.00 0.00 C ATOM 973 CD GLU A 63 12.843 -2.106 -5.551 1.00 0.00 C ATOM 974 OE1 GLU A 63 11.996 -1.917 -4.642 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.562 -2.752 -6.582 1.00 0.00 O ATOM 0 H GLU A 63 15.128 0.639 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 63 16.482 0.010 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.543 0.524 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.105 -0.069 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.967 -2.123 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.546 -1.521 -4.355 1.00 0.00 H new ATOM 982 N VAL A 64 15.012 2.997 -5.943 1.00 0.00 N ATOM 983 CA VAL A 64 14.937 4.345 -6.544 1.00 0.00 C ATOM 984 C VAL A 64 16.350 4.952 -6.716 1.00 0.00 C ATOM 985 O VAL A 64 16.779 5.235 -7.842 1.00 0.00 O ATOM 986 CB VAL A 64 14.008 5.299 -5.686 1.00 0.00 C ATOM 987 CG1 VAL A 64 14.172 6.786 -6.089 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.516 4.872 -5.791 1.00 0.00 C ATOM 0 H VAL A 64 14.476 2.904 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 64 14.491 4.248 -7.534 1.00 0.00 H new ATOM 0 HB VAL A 64 14.327 5.200 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.516 7.404 -5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 64 15.207 7.092 -5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.908 6.910 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.902 5.545 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.196 4.919 -6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.403 3.852 -5.423 1.00 0.00 H new ATOM 998 N ASN A 65 17.076 5.101 -5.594 1.00 0.00 N ATOM 999 CA ASN A 65 18.409 5.738 -5.564 1.00 0.00 C ATOM 1000 C ASN A 65 19.489 4.922 -6.319 1.00 0.00 C ATOM 1001 O ASN A 65 20.494 5.497 -6.759 1.00 0.00 O ATOM 1002 CB ASN A 65 18.840 6.016 -4.094 1.00 0.00 C ATOM 1003 CG ASN A 65 18.013 7.121 -3.415 1.00 0.00 C ATOM 1004 OD1 ASN A 65 18.371 8.298 -3.477 1.00 0.00 O ATOM 1005 ND2 ASN A 65 16.919 6.757 -2.755 1.00 0.00 N ATOM 0 H ASN A 65 16.756 4.783 -4.679 1.00 0.00 H new ATOM 0 HA ASN A 65 18.322 6.686 -6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.748 5.096 -3.516 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.893 6.299 -4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.351 7.460 -2.282 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.647 5.774 -2.721 1.00 0.00 H new ATOM 1012 N ASP A 66 19.290 3.588 -6.477 1.00 0.00 N ATOM 1013 CA ASP A 66 20.246 2.710 -7.216 1.00 0.00 C ATOM 1014 C ASP A 66 19.861 2.578 -8.714 1.00 0.00 C ATOM 1015 O ASP A 66 20.617 2.004 -9.506 1.00 0.00 O ATOM 1016 CB ASP A 66 20.305 1.305 -6.542 1.00 0.00 C ATOM 1017 CG ASP A 66 21.478 0.424 -7.013 1.00 0.00 C ATOM 1018 OD1 ASP A 66 22.626 0.674 -6.581 1.00 0.00 O ATOM 1019 OD2 ASP A 66 21.263 -0.521 -7.804 1.00 0.00 O ATOM 0 H ASP A 66 18.479 3.094 -6.105 1.00 0.00 H new ATOM 0 HA ASP A 66 21.232 3.172 -7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 66 20.375 1.436 -5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.370 0.781 -6.740 1.00 0.00 H new ATOM 1024 N GLY A 67 18.706 3.158 -9.106 1.00 0.00 N ATOM 1025 CA GLY A 67 18.194 3.041 -10.484 1.00 0.00 C ATOM 1026 C GLY A 67 17.560 1.687 -10.824 1.00 0.00 C ATOM 1027 O GLY A 67 17.242 1.434 -11.995 1.00 0.00 O ATOM 0 H GLY A 67 18.113 3.711 -8.487 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.454 3.824 -10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.014 3.226 -11.178 1.00 0.00 H new ATOM 1031 N LYS A 68 17.373 0.817 -9.807 1.00 0.00 N ATOM 1032 CA LYS A 68 16.628 -0.460 -9.964 1.00 0.00 C ATOM 1033 C LYS A 68 15.141 -0.190 -10.267 1.00 0.00 C ATOM 1034 O LYS A 68 14.482 -0.976 -10.952 1.00 0.00 O ATOM 1035 CB LYS A 68 16.742 -1.332 -8.685 1.00 0.00 C ATOM 1036 CG LYS A 68 18.135 -1.922 -8.419 1.00 0.00 C ATOM 1037 CD LYS A 68 18.136 -2.878 -7.205 1.00 0.00 C ATOM 1038 CE LYS A 68 19.492 -3.562 -6.985 1.00 0.00 C ATOM 1039 NZ LYS A 68 19.438 -4.511 -5.850 1.00 0.00 N ATOM 0 H LYS A 68 17.728 0.974 -8.864 1.00 0.00 H new ATOM 0 HA LYS A 68 17.073 -0.999 -10.800 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.450 -0.728 -7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.026 -2.151 -8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.476 -2.459 -9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.844 -1.113 -8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.867 -2.319 -6.309 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.369 -3.640 -7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.786 -4.092 -7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 68 20.256 -2.808 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.369 -4.957 -5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.181 -3.999 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.726 -5.244 -6.044 1.00 0.00 H new ATOM 1053 N ALA A 69 14.641 0.927 -9.728 1.00 0.00 N ATOM 1054 CA ALA A 69 13.279 1.429 -9.956 1.00 0.00 C ATOM 1055 C ALA A 69 13.324 2.950 -10.093 1.00 0.00 C ATOM 1056 O ALA A 69 14.323 3.589 -9.726 1.00 0.00 O ATOM 1057 CB ALA A 69 12.349 1.014 -8.802 1.00 0.00 C ATOM 0 H ALA A 69 15.185 1.523 -9.105 1.00 0.00 H new ATOM 0 HA ALA A 69 12.882 0.996 -10.874 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.345 1.395 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.318 -0.073 -8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.725 1.426 -7.866 1.00 0.00 H new ATOM 1063 N THR A 70 12.252 3.521 -10.645 1.00 0.00 N ATOM 1064 CA THR A 70 12.089 4.971 -10.770 1.00 0.00 C ATOM 1065 C THR A 70 11.381 5.532 -9.527 1.00 0.00 C ATOM 1066 O THR A 70 10.787 4.771 -8.739 1.00 0.00 O ATOM 1067 CB THR A 70 11.281 5.319 -12.061 1.00 0.00 C ATOM 1068 OG1 THR A 70 10.026 4.620 -12.040 1.00 0.00 O ATOM 1069 CG2 THR A 70 12.063 4.943 -13.336 1.00 0.00 C ATOM 0 H THR A 70 11.468 2.988 -11.020 1.00 0.00 H new ATOM 0 HA THR A 70 13.075 5.429 -10.847 1.00 0.00 H new ATOM 0 HB THR A 70 11.111 6.396 -12.077 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.386 5.080 -12.622 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.471 5.199 -14.215 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.005 5.492 -13.360 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.267 3.872 -13.335 1.00 0.00 H new ATOM 1077 N THR A 71 11.453 6.865 -9.360 1.00 0.00 N ATOM 1078 CA THR A 71 10.802 7.578 -8.253 1.00 0.00 C ATOM 1079 C THR A 71 9.277 7.373 -8.329 1.00 0.00 C ATOM 1080 O THR A 71 8.659 6.826 -7.408 1.00 0.00 O ATOM 1081 CB THR A 71 11.141 9.116 -8.286 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.764 9.675 -9.561 1.00 0.00 O ATOM 1083 CG2 THR A 71 12.637 9.392 -8.029 1.00 0.00 C ATOM 0 H THR A 71 11.967 7.478 -9.993 1.00 0.00 H new ATOM 0 HA THR A 71 11.179 7.171 -7.315 1.00 0.00 H new ATOM 0 HB THR A 71 10.573 9.588 -7.484 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.976 10.632 -9.574 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.820 10.466 -8.062 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.915 9.007 -7.048 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.235 8.899 -8.795 1.00 0.00 H new ATOM 1091 N GLU A 72 8.708 7.802 -9.467 1.00 0.00 N ATOM 1092 CA GLU A 72 7.270 7.738 -9.771 1.00 0.00 C ATOM 1093 C GLU A 72 6.651 6.331 -9.621 1.00 0.00 C ATOM 1094 O GLU A 72 5.457 6.208 -9.323 1.00 0.00 O ATOM 1095 CB GLU A 72 7.032 8.364 -11.193 1.00 0.00 C ATOM 1096 CG GLU A 72 7.804 7.718 -12.383 1.00 0.00 C ATOM 1097 CD GLU A 72 7.154 6.456 -12.984 1.00 0.00 C ATOM 1098 OE1 GLU A 72 5.934 6.242 -12.821 1.00 0.00 O ATOM 1099 OE2 GLU A 72 7.861 5.683 -13.657 1.00 0.00 O ATOM 0 H GLU A 72 9.253 8.215 -10.224 1.00 0.00 H new ATOM 0 HA GLU A 72 6.739 8.324 -9.021 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.966 8.313 -11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.298 9.420 -11.148 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.910 8.462 -13.172 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.809 7.464 -12.047 1.00 0.00 H new ATOM 1106 N GLN A 73 7.479 5.282 -9.804 1.00 0.00 N ATOM 1107 CA GLN A 73 7.025 3.875 -9.719 1.00 0.00 C ATOM 1108 C GLN A 73 6.389 3.554 -8.341 1.00 0.00 C ATOM 1109 O GLN A 73 5.509 2.689 -8.243 1.00 0.00 O ATOM 1110 CB GLN A 73 8.186 2.899 -10.020 1.00 0.00 C ATOM 1111 CG GLN A 73 7.733 1.458 -10.322 1.00 0.00 C ATOM 1112 CD GLN A 73 8.888 0.496 -10.570 1.00 0.00 C ATOM 1113 OE1 GLN A 73 9.376 0.377 -11.691 1.00 0.00 O ATOM 1114 NE2 GLN A 73 9.313 -0.220 -9.538 1.00 0.00 N ATOM 0 H GLN A 73 8.472 5.382 -10.013 1.00 0.00 H new ATOM 0 HA GLN A 73 6.253 3.742 -10.477 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.752 3.276 -10.871 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.864 2.884 -9.167 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.138 1.090 -9.486 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.083 1.466 -11.197 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.885 -0.096 -8.620 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.068 -0.895 -9.662 1.00 0.00 H new ATOM 1123 N TYR A 74 6.841 4.258 -7.285 1.00 0.00 N ATOM 1124 CA TYR A 74 6.333 4.074 -5.909 1.00 0.00 C ATOM 1125 C TYR A 74 5.712 5.360 -5.337 1.00 0.00 C ATOM 1126 O TYR A 74 4.852 5.285 -4.455 1.00 0.00 O ATOM 1127 CB TYR A 74 7.471 3.574 -4.981 1.00 0.00 C ATOM 1128 CG TYR A 74 8.071 2.229 -5.413 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.258 1.095 -5.531 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.430 2.089 -5.723 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.779 -0.118 -5.927 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.949 0.875 -6.124 1.00 0.00 C ATOM 1133 CZ TYR A 74 9.118 -0.223 -6.224 1.00 0.00 C ATOM 1134 OH TYR A 74 9.635 -1.431 -6.634 1.00 0.00 O ATOM 0 H TYR A 74 7.568 4.970 -7.360 1.00 0.00 H new ATOM 0 HA TYR A 74 5.542 3.325 -5.955 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.262 4.323 -4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.086 3.481 -3.966 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.204 1.172 -5.308 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.083 2.946 -5.647 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.138 -0.984 -6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.999 0.784 -6.358 1.00 0.00 H new ATOM 0 HH TYR A 74 10.521 -1.290 -7.030 1.00 0.00 H new ATOM 1144 N PHE A 75 6.135 6.539 -5.830 1.00 0.00 N ATOM 1145 CA PHE A 75 5.730 7.830 -5.228 1.00 0.00 C ATOM 1146 C PHE A 75 4.493 8.445 -5.921 1.00 0.00 C ATOM 1147 O PHE A 75 3.936 9.417 -5.407 1.00 0.00 O ATOM 1148 CB PHE A 75 6.911 8.840 -5.246 1.00 0.00 C ATOM 1149 CG PHE A 75 8.186 8.389 -4.514 1.00 0.00 C ATOM 1150 CD1 PHE A 75 8.128 7.593 -3.367 1.00 0.00 C ATOM 1151 CD2 PHE A 75 9.448 8.774 -4.972 1.00 0.00 C ATOM 1152 CE1 PHE A 75 9.284 7.201 -2.709 1.00 0.00 C ATOM 1153 CE2 PHE A 75 10.603 8.382 -4.317 1.00 0.00 C ATOM 1154 CZ PHE A 75 10.521 7.591 -3.184 1.00 0.00 C ATOM 0 H PHE A 75 6.752 6.628 -6.637 1.00 0.00 H new ATOM 0 HA PHE A 75 5.452 7.620 -4.195 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.166 9.054 -6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.571 9.776 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.167 7.278 -2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.524 9.390 -5.856 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.217 6.589 -1.822 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.568 8.693 -4.690 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.421 7.280 -2.674 1.00 0.00 H new ATOM 1164 N VAL A 76 4.025 7.871 -7.050 1.00 0.00 N ATOM 1165 CA VAL A 76 2.794 8.364 -7.716 1.00 0.00 C ATOM 1166 C VAL A 76 1.627 7.616 -7.097 1.00 0.00 C ATOM 1167 O VAL A 76 1.665 6.410 -7.026 1.00 0.00 O ATOM 1168 CB VAL A 76 2.784 8.180 -9.276 1.00 0.00 C ATOM 1169 CG1 VAL A 76 1.388 8.474 -9.888 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.846 9.077 -9.930 1.00 0.00 C ATOM 0 H VAL A 76 4.470 7.080 -7.515 1.00 0.00 H new ATOM 0 HA VAL A 76 2.732 9.441 -7.560 1.00 0.00 H new ATOM 0 HB VAL A 76 3.021 7.136 -9.479 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.428 8.334 -10.968 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.653 7.792 -9.461 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.102 9.502 -9.665 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.825 8.937 -11.011 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.636 10.120 -9.695 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.832 8.811 -9.549 1.00 0.00 H new ATOM 1180 N LEU A 77 0.600 8.353 -6.686 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.461 7.857 -5.802 1.00 0.00 C ATOM 1182 C LEU A 77 -1.334 6.741 -6.417 1.00 0.00 C ATOM 1183 O LEU A 77 -1.950 5.990 -5.665 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.322 9.041 -5.338 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.537 10.222 -4.690 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.496 11.320 -4.238 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.377 9.743 -3.531 1.00 0.00 C ATOM 0 H LEU A 77 0.475 9.328 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 77 0.030 7.386 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.878 9.422 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.055 8.676 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 77 0.121 10.642 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.929 12.135 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.051 11.695 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.193 10.915 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.906 10.597 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.231 9.273 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.100 9.022 -3.912 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.400 6.634 -7.764 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.107 5.499 -8.414 1.00 0.00 C ATOM 1201 C LYS A 78 -1.234 4.234 -8.352 1.00 0.00 C ATOM 1202 O LYS A 78 -1.748 3.138 -8.146 1.00 0.00 O ATOM 1203 CB LYS A 78 -2.532 5.816 -9.879 1.00 0.00 C ATOM 1204 CG LYS A 78 -1.395 6.155 -10.869 1.00 0.00 C ATOM 1205 CD LYS A 78 -1.913 6.393 -12.308 1.00 0.00 C ATOM 1206 CE LYS A 78 -0.795 6.784 -13.294 1.00 0.00 C ATOM 1207 NZ LYS A 78 0.279 5.754 -13.400 1.00 0.00 N ATOM 0 H LYS A 78 -0.983 7.302 -8.413 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.029 5.326 -7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.079 4.958 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.228 6.655 -9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.870 7.046 -10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.670 5.341 -10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.405 5.488 -12.665 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.667 7.180 -12.291 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.230 6.950 -14.280 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.354 7.729 -12.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.034 6.103 -14.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.671 5.563 -12.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.118 4.877 -13.794 1.00 0.00 H new ATOM 1221 N ASN A 79 0.095 4.423 -8.502 1.00 0.00 N ATOM 1222 CA ASN A 79 1.109 3.348 -8.398 1.00 0.00 C ATOM 1223 C ASN A 79 1.237 2.890 -6.935 1.00 0.00 C ATOM 1224 O ASN A 79 1.269 1.699 -6.650 1.00 0.00 O ATOM 1225 CB ASN A 79 2.497 3.849 -8.905 1.00 0.00 C ATOM 1226 CG ASN A 79 2.536 4.263 -10.379 1.00 0.00 C ATOM 1227 OD1 ASN A 79 1.539 4.697 -10.957 1.00 0.00 O ATOM 1228 ND2 ASN A 79 3.702 4.136 -10.998 1.00 0.00 N ATOM 0 H ASN A 79 0.500 5.338 -8.701 1.00 0.00 H new ATOM 0 HA ASN A 79 0.787 2.512 -9.019 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.804 4.699 -8.296 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.232 3.060 -8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.790 4.401 -11.979 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.511 3.773 -10.493 1.00 0.00 H new ATOM 1235 N LEU A 80 1.264 3.887 -6.032 1.00 0.00 N ATOM 1236 CA LEU A 80 1.449 3.715 -4.588 1.00 0.00 C ATOM 1237 C LEU A 80 0.260 2.956 -4.019 1.00 0.00 C ATOM 1238 O LEU A 80 0.432 1.904 -3.423 1.00 0.00 O ATOM 1239 CB LEU A 80 1.583 5.104 -3.888 1.00 0.00 C ATOM 1240 CG LEU A 80 1.627 5.092 -2.320 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.885 4.367 -1.785 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.499 6.516 -1.741 1.00 0.00 C ATOM 0 H LEU A 80 1.154 4.865 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 80 2.363 3.150 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.491 5.584 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.746 5.727 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 80 0.763 4.523 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.877 4.381 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.886 3.335 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.779 4.874 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.533 6.471 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.322 7.132 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.552 6.953 -2.056 1.00 0.00 H new ATOM 1254 N ALA A 81 -0.948 3.483 -4.274 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.193 2.898 -3.759 1.00 0.00 C ATOM 1256 C ALA A 81 -2.500 1.568 -4.467 1.00 0.00 C ATOM 1257 O ALA A 81 -3.258 0.768 -3.946 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.361 3.896 -3.863 1.00 0.00 C ATOM 0 H ALA A 81 -1.087 4.321 -4.839 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.060 2.679 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.269 3.435 -3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.130 4.789 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.512 4.172 -4.907 1.00 0.00 H new ATOM 1264 N ALA A 82 -1.896 1.334 -5.658 1.00 0.00 N ATOM 1265 CA ALA A 82 -1.947 0.010 -6.317 1.00 0.00 C ATOM 1266 C ALA A 82 -1.052 -0.998 -5.579 1.00 0.00 C ATOM 1267 O ALA A 82 -1.412 -2.163 -5.463 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.533 0.102 -7.789 1.00 0.00 C ATOM 0 H ALA A 82 -1.373 2.040 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.979 -0.338 -6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.581 -0.888 -8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.208 0.776 -8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.514 0.483 -7.857 1.00 0.00 H new ATOM 1274 N ARG A 83 0.116 -0.529 -5.094 1.00 0.00 N ATOM 1275 CA ARG A 83 1.068 -1.359 -4.321 1.00 0.00 C ATOM 1276 C ARG A 83 0.481 -1.730 -2.947 1.00 0.00 C ATOM 1277 O ARG A 83 0.643 -2.856 -2.483 1.00 0.00 O ATOM 1278 CB ARG A 83 2.424 -0.611 -4.136 1.00 0.00 C ATOM 1279 CG ARG A 83 3.254 -0.384 -5.428 1.00 0.00 C ATOM 1280 CD ARG A 83 4.103 -1.603 -5.864 1.00 0.00 C ATOM 1281 NE ARG A 83 3.309 -2.840 -6.051 1.00 0.00 N ATOM 1282 CZ ARG A 83 3.240 -3.576 -7.175 1.00 0.00 C ATOM 1283 NH1 ARG A 83 3.856 -3.184 -8.287 1.00 0.00 N ATOM 1284 NH2 ARG A 83 2.567 -4.714 -7.171 1.00 0.00 N ATOM 0 H ARG A 83 0.427 0.433 -5.226 1.00 0.00 H new ATOM 0 HA ARG A 83 1.246 -2.276 -4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.223 0.359 -3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.034 -1.174 -3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.576 -0.120 -6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.916 0.469 -5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.614 -1.365 -6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.874 -1.785 -5.115 1.00 0.00 H new ATOM 0 HE ARG A 83 2.763 -3.164 -5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.390 -2.315 -8.295 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.795 -3.753 -9.132 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.104 -5.030 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.511 -5.276 -8.020 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.216 -0.765 -2.327 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.870 -0.942 -1.017 1.00 0.00 C ATOM 1300 C ILE A 84 -2.048 -1.920 -1.172 1.00 0.00 C ATOM 1301 O ILE A 84 -2.188 -2.866 -0.398 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.377 0.442 -0.466 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.206 1.481 -0.414 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -2.039 0.286 0.931 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.642 2.933 -0.300 1.00 0.00 C ATOM 0 H ILE A 84 -0.344 0.167 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.152 -1.348 -0.305 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.136 0.816 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.435 1.242 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.400 1.369 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.378 1.260 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.891 -0.390 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.313 -0.122 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.238 3.576 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.256 3.197 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.221 3.068 0.614 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.866 -1.670 -2.217 1.00 0.00 N ATOM 1318 CA ASP A 85 -4.014 -2.523 -2.605 1.00 0.00 C ATOM 1319 C ASP A 85 -3.567 -3.975 -2.860 1.00 0.00 C ATOM 1320 O ASP A 85 -4.236 -4.916 -2.456 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.687 -1.927 -3.877 1.00 0.00 C ATOM 1322 CG ASP A 85 -5.938 -2.685 -4.356 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -5.797 -3.654 -5.142 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -7.063 -2.316 -3.951 1.00 0.00 O ATOM 0 H ASP A 85 -2.747 -0.859 -2.824 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.733 -2.541 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.961 -0.891 -3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.956 -1.912 -4.685 1.00 0.00 H new ATOM 1329 N GLU A 86 -2.422 -4.104 -3.542 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.783 -5.376 -3.873 1.00 0.00 C ATOM 1331 C GLU A 86 -1.393 -6.157 -2.602 1.00 0.00 C ATOM 1332 O GLU A 86 -1.555 -7.378 -2.550 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.559 -5.056 -4.776 1.00 0.00 C ATOM 1334 CG GLU A 86 0.134 -6.257 -5.427 1.00 0.00 C ATOM 1335 CD GLU A 86 1.234 -6.916 -4.571 1.00 0.00 C ATOM 1336 OE1 GLU A 86 2.298 -6.276 -4.382 1.00 0.00 O ATOM 1337 OE2 GLU A 86 1.056 -8.069 -4.115 1.00 0.00 O ATOM 0 H GLU A 86 -1.901 -3.298 -3.888 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.473 -6.027 -4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.884 -4.378 -5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.177 -4.519 -4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.620 -7.008 -5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.573 -5.936 -6.372 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.904 -5.434 -1.584 1.00 0.00 N ATOM 1345 CA LEU A 87 -0.507 -6.035 -0.294 1.00 0.00 C ATOM 1346 C LEU A 87 -1.735 -6.317 0.603 1.00 0.00 C ATOM 1347 O LEU A 87 -1.674 -7.184 1.474 1.00 0.00 O ATOM 1348 CB LEU A 87 0.532 -5.138 0.429 1.00 0.00 C ATOM 1349 CG LEU A 87 1.901 -4.964 -0.311 1.00 0.00 C ATOM 1350 CD1 LEU A 87 2.861 -4.055 0.476 1.00 0.00 C ATOM 1351 CD2 LEU A 87 2.553 -6.332 -0.633 1.00 0.00 C ATOM 0 H LEU A 87 -0.772 -4.424 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.036 -6.996 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.092 -4.152 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.723 -5.557 1.417 1.00 0.00 H new ATOM 0 HG LEU A 87 1.692 -4.471 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.800 -3.959 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.410 -3.070 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.054 -4.491 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.501 -6.171 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.730 -6.878 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.887 -6.911 -1.273 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.853 -5.590 0.371 1.00 0.00 N ATOM 1364 CA VAL A 88 -4.150 -5.851 1.042 1.00 0.00 C ATOM 1365 C VAL A 88 -4.845 -7.045 0.340 1.00 0.00 C ATOM 1366 O VAL A 88 -5.632 -7.774 0.947 1.00 0.00 O ATOM 1367 CB VAL A 88 -5.073 -4.563 1.058 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -6.468 -4.851 1.672 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.382 -3.399 1.820 1.00 0.00 C ATOM 0 H VAL A 88 -2.882 -4.809 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.967 -6.106 2.086 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.225 -4.268 0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.065 -3.939 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.971 -5.621 1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.349 -5.195 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.034 -2.525 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.186 -3.703 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.441 -3.151 1.329 1.00 0.00 H new ATOM 1379 N ALA A 89 -4.506 -7.243 -0.947 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.916 -8.421 -1.729 1.00 0.00 C ATOM 1381 C ALA A 89 -4.118 -9.657 -1.276 1.00 0.00 C ATOM 1382 O ALA A 89 -4.658 -10.758 -1.181 1.00 0.00 O ATOM 1383 CB ALA A 89 -4.731 -8.158 -3.232 1.00 0.00 C ATOM 0 H ALA A 89 -3.935 -6.584 -1.477 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.974 -8.615 -1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.039 -9.039 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.341 -7.305 -3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.682 -7.944 -3.437 1.00 0.00 H new ATOM 1389 N ALA A 90 -2.825 -9.447 -0.962 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.958 -10.482 -0.361 1.00 0.00 C ATOM 1391 C ALA A 90 -2.426 -10.799 1.076 1.00 0.00 C ATOM 1392 O ALA A 90 -2.290 -11.927 1.556 1.00 0.00 O ATOM 1393 CB ALA A 90 -0.495 -10.013 -0.384 1.00 0.00 C ATOM 0 H ALA A 90 -2.352 -8.557 -1.117 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.030 -11.400 -0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.140 -10.780 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.185 -9.838 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.400 -9.089 0.186 1.00 0.00 H new