USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 554 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 40 TYR OH : rot 180:sc= -0.828 USER MOD Set 1.2: A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -141:sc= -0.266 USER MOD Single : A 46 MET CE :methyl 176:sc= -0.0731 (180deg=-0.0825) USER MOD Single : A 48 THR OG1 : rot 99:sc= 1.13 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0444 USER MOD Single : A 70 THR OG1 : rot 176:sc= -0.978 USER MOD Single : A 79 ASN : amide:sc= 0.0209 K(o=0.021,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -4.509 9.414 -1.441 1.00 0.00 N ATOM 45 CA LEU A 4 -4.464 9.297 -2.896 1.00 0.00 C ATOM 46 C LEU A 4 -4.529 7.832 -3.316 1.00 0.00 C ATOM 47 O LEU A 4 -5.417 7.425 -4.063 1.00 0.00 O ATOM 48 CB LEU A 4 -3.179 9.920 -3.445 1.00 0.00 C ATOM 49 CG LEU A 4 -3.385 11.422 -3.644 1.00 0.00 C ATOM 50 CD1 LEU A 4 -3.532 12.102 -2.281 1.00 0.00 C ATOM 51 CD2 LEU A 4 -2.176 12.010 -4.378 1.00 0.00 C ATOM 0 HA LEU A 4 -5.325 9.828 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.353 9.744 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.910 9.451 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.286 11.590 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.679 13.173 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.391 11.684 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.631 11.934 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.322 13.081 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.275 11.842 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.069 11.526 -5.349 1.00 0.00 H new ATOM 63 N LEU A 5 -3.577 7.043 -2.823 1.00 0.00 N ATOM 64 CA LEU A 5 -3.536 5.620 -3.150 1.00 0.00 C ATOM 65 C LEU A 5 -4.347 4.828 -2.129 1.00 0.00 C ATOM 66 O LEU A 5 -4.260 5.069 -0.928 1.00 0.00 O ATOM 67 CB LEU A 5 -2.080 5.117 -3.158 1.00 0.00 C ATOM 68 CG LEU A 5 -1.595 4.894 -4.601 1.00 0.00 C ATOM 69 CD1 LEU A 5 -2.400 3.767 -5.249 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.767 6.176 -5.424 1.00 0.00 C ATOM 0 H LEU A 5 -2.832 7.360 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.966 5.477 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.436 5.841 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.008 4.186 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.539 4.624 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.053 3.613 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.265 2.849 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.456 4.035 -5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.420 6.004 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.820 6.458 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.184 6.979 -4.973 1.00 0.00 H new ATOM 82 N THR A 6 -5.146 3.888 -2.621 1.00 0.00 N ATOM 83 CA THR A 6 -5.976 3.075 -1.736 1.00 0.00 C ATOM 84 C THR A 6 -5.823 1.589 -2.053 1.00 0.00 C ATOM 85 O THR A 6 -5.267 1.206 -3.088 1.00 0.00 O ATOM 86 CB THR A 6 -7.454 3.472 -1.868 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.263 2.518 -1.194 1.00 0.00 O ATOM 88 CG2 THR A 6 -7.853 3.525 -3.344 1.00 0.00 C ATOM 0 H THR A 6 -5.237 3.671 -3.613 1.00 0.00 H new ATOM 0 HA THR A 6 -5.642 3.254 -0.714 1.00 0.00 H new ATOM 0 HB THR A 6 -7.599 4.456 -1.423 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.206 2.772 -1.277 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.903 3.807 -3.427 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.237 4.261 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.704 2.545 -3.797 1.00 0.00 H new ATOM 96 N THR A 7 -6.327 0.757 -1.143 1.00 0.00 N ATOM 97 CA THR A 7 -6.258 -0.693 -1.313 1.00 0.00 C ATOM 98 C THR A 7 -6.935 -1.109 -2.617 1.00 0.00 C ATOM 99 O THR A 7 -6.425 -1.948 -3.356 1.00 0.00 O ATOM 100 CB THR A 7 -6.951 -1.396 -0.144 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.420 -0.912 1.081 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.719 -2.902 -0.242 1.00 0.00 C ATOM 0 H THR A 7 -6.786 1.061 -0.284 1.00 0.00 H new ATOM 0 HA THR A 7 -5.208 -0.983 -1.342 1.00 0.00 H new ATOM 0 HB THR A 7 -8.021 -1.193 -0.182 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.865 -1.361 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.213 -3.401 0.591 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.129 -3.273 -1.182 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.649 -3.108 -0.206 1.00 0.00 H new ATOM 110 N ASP A 8 -8.088 -0.504 -2.889 1.00 0.00 N ATOM 111 CA ASP A 8 -8.830 -0.809 -4.113 1.00 0.00 C ATOM 112 C ASP A 8 -7.975 -0.497 -5.339 1.00 0.00 C ATOM 113 O ASP A 8 -8.087 -1.155 -6.374 1.00 0.00 O ATOM 114 CB ASP A 8 -10.120 0.009 -4.179 1.00 0.00 C ATOM 115 CG ASP A 8 -11.216 -0.704 -3.394 1.00 0.00 C ATOM 116 OD1 ASP A 8 -10.900 -1.285 -2.369 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.354 -0.658 -3.830 1.00 0.00 O ATOM 0 H ASP A 8 -8.527 0.193 -2.287 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.080 -1.870 -4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.953 1.005 -3.768 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.428 0.140 -5.217 1.00 0.00 H new ATOM 122 N ASP A 9 -7.117 0.512 -5.207 1.00 0.00 N ATOM 123 CA ASP A 9 -6.236 0.903 -6.305 1.00 0.00 C ATOM 124 C ASP A 9 -5.286 -0.240 -6.646 1.00 0.00 C ATOM 125 O ASP A 9 -5.206 -0.677 -7.796 1.00 0.00 O ATOM 126 CB ASP A 9 -5.410 2.139 -5.929 1.00 0.00 C ATOM 127 CG ASP A 9 -4.656 2.641 -7.156 1.00 0.00 C ATOM 128 OD1 ASP A 9 -3.612 2.084 -7.455 1.00 0.00 O ATOM 129 OD2 ASP A 9 -5.134 3.574 -7.780 1.00 0.00 O ATOM 0 H ASP A 9 -7.013 1.069 -4.359 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.859 1.139 -7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.063 2.923 -5.545 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.707 1.891 -5.134 1.00 0.00 H new ATOM 134 N LEU A 10 -4.564 -0.726 -5.635 1.00 0.00 N ATOM 135 CA LEU A 10 -3.621 -1.825 -5.856 1.00 0.00 C ATOM 136 C LEU A 10 -4.353 -3.054 -6.421 1.00 0.00 C ATOM 137 O LEU A 10 -3.778 -3.855 -7.157 1.00 0.00 O ATOM 138 CB LEU A 10 -2.857 -2.168 -4.548 1.00 0.00 C ATOM 139 CG LEU A 10 -3.599 -3.217 -3.696 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.030 -4.603 -3.988 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.404 -2.909 -2.214 1.00 0.00 C ATOM 0 H LEU A 10 -4.611 -0.386 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.882 -1.508 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.864 -2.542 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.718 -1.259 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.661 -3.189 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.554 -5.346 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.161 -4.835 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.968 -4.620 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.930 -3.653 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.341 -2.936 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.801 -1.918 -1.993 1.00 0.00 H new ATOM 153 N ARG A 11 -5.633 -3.178 -6.068 1.00 0.00 N ATOM 154 CA ARG A 11 -6.446 -4.294 -6.540 1.00 0.00 C ATOM 155 C ARG A 11 -6.606 -4.218 -8.053 1.00 0.00 C ATOM 156 O ARG A 11 -6.517 -5.223 -8.756 1.00 0.00 O ATOM 157 CB ARG A 11 -7.833 -4.249 -5.889 1.00 0.00 C ATOM 158 CG ARG A 11 -8.278 -5.667 -5.521 1.00 0.00 C ATOM 159 CD ARG A 11 -9.678 -5.622 -4.906 1.00 0.00 C ATOM 160 NE ARG A 11 -10.427 -6.830 -5.241 1.00 0.00 N ATOM 161 CZ ARG A 11 -10.323 -7.927 -4.497 1.00 0.00 C ATOM 162 NH1 ARG A 11 -10.390 -7.843 -3.196 1.00 0.00 N ATOM 163 NH2 ARG A 11 -10.155 -9.089 -5.068 1.00 0.00 N ATOM 0 H ARG A 11 -6.125 -2.523 -5.461 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.947 -5.225 -6.270 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.806 -3.623 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.552 -3.798 -6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.280 -6.300 -6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.574 -6.108 -4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.602 -5.524 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.212 -4.744 -5.269 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.039 -6.832 -6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.522 -6.935 -2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.310 -8.685 -2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.104 -9.155 -6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.075 -9.931 -4.498 1.00 0.00 H new ATOM 177 N ARG A 12 -6.849 -3.005 -8.539 1.00 0.00 N ATOM 178 CA ARG A 12 -7.026 -2.783 -9.972 1.00 0.00 C ATOM 179 C ARG A 12 -5.728 -3.069 -10.724 1.00 0.00 C ATOM 180 O ARG A 12 -5.748 -3.467 -11.888 1.00 0.00 O ATOM 181 CB ARG A 12 -7.454 -1.334 -10.238 1.00 0.00 C ATOM 182 CG ARG A 12 -8.973 -1.265 -10.409 1.00 0.00 C ATOM 183 CD ARG A 12 -9.346 0.021 -11.147 1.00 0.00 C ATOM 184 NE ARG A 12 -8.627 0.116 -12.415 1.00 0.00 N ATOM 185 CZ ARG A 12 -9.173 -0.322 -13.546 1.00 0.00 C ATOM 186 NH1 ARG A 12 -10.280 0.211 -13.985 1.00 0.00 N ATOM 187 NH2 ARG A 12 -8.601 -1.284 -14.218 1.00 0.00 N ATOM 0 H ARG A 12 -6.928 -2.164 -7.967 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.802 -3.462 -10.325 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.143 -0.696 -9.411 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.961 -0.958 -11.134 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.326 -2.132 -10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.461 -1.292 -9.435 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.420 0.043 -11.330 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.111 0.884 -10.525 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.692 0.524 -12.433 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.727 0.964 -13.461 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.699 -0.125 -14.852 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.735 -1.700 -13.876 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.020 -1.619 -15.085 1.00 0.00 H new ATOM 201 N ALA A 13 -4.601 -2.854 -10.051 1.00 0.00 N ATOM 202 CA ALA A 13 -3.299 -3.090 -10.673 1.00 0.00 C ATOM 203 C ALA A 13 -2.979 -4.585 -10.729 1.00 0.00 C ATOM 204 O ALA A 13 -2.246 -5.042 -11.604 1.00 0.00 O ATOM 205 CB ALA A 13 -2.196 -2.378 -9.890 1.00 0.00 C ATOM 0 H ALA A 13 -4.561 -2.521 -9.088 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.344 -2.696 -11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.233 -2.564 -10.366 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.393 -1.306 -9.877 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.174 -2.755 -8.868 1.00 0.00 H new ATOM 211 N LEU A 14 -3.530 -5.340 -9.780 1.00 0.00 N ATOM 212 CA LEU A 14 -3.288 -6.782 -9.725 1.00 0.00 C ATOM 213 C LEU A 14 -4.251 -7.544 -10.642 1.00 0.00 C ATOM 214 O LEU A 14 -3.970 -8.670 -11.052 1.00 0.00 O ATOM 215 CB LEU A 14 -3.462 -7.292 -8.288 1.00 0.00 C ATOM 216 CG LEU A 14 -2.098 -7.335 -7.579 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.250 -6.826 -6.136 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.566 -8.780 -7.571 1.00 0.00 C ATOM 0 H LEU A 14 -4.141 -4.983 -9.045 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.267 -6.958 -10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.145 -6.641 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.908 -8.286 -8.297 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.392 -6.697 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.282 -6.857 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.619 -5.800 -6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.957 -7.459 -5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.599 -8.809 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.269 -9.424 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.452 -9.132 -8.596 1.00 0.00 H new ATOM 230 N VAL A 15 -5.394 -6.930 -10.949 1.00 0.00 N ATOM 231 CA VAL A 15 -6.388 -7.576 -11.805 1.00 0.00 C ATOM 232 C VAL A 15 -6.144 -7.238 -13.276 1.00 0.00 C ATOM 233 O VAL A 15 -6.462 -8.026 -14.167 1.00 0.00 O ATOM 234 CB VAL A 15 -7.803 -7.127 -11.416 1.00 0.00 C ATOM 235 CG1 VAL A 15 -8.836 -7.934 -12.208 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.026 -7.360 -9.919 1.00 0.00 C ATOM 0 H VAL A 15 -5.652 -5.999 -10.623 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.295 -8.653 -11.666 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.914 -6.066 -11.642 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.840 -7.613 -11.930 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.685 -7.770 -13.275 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.719 -8.994 -11.984 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.032 -7.040 -9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.909 -8.420 -9.694 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.296 -6.786 -9.349 1.00 0.00 H new ATOM 246 N GLU A 16 -5.578 -6.059 -13.522 1.00 0.00 N ATOM 247 CA GLU A 16 -5.300 -5.627 -14.891 1.00 0.00 C ATOM 248 C GLU A 16 -4.369 -6.615 -15.591 1.00 0.00 C ATOM 249 O GLU A 16 -4.423 -6.781 -16.810 1.00 0.00 O ATOM 250 CB GLU A 16 -4.648 -4.243 -14.896 1.00 0.00 C ATOM 251 CG GLU A 16 -4.843 -3.592 -16.266 1.00 0.00 C ATOM 252 CD GLU A 16 -4.047 -2.293 -16.332 1.00 0.00 C ATOM 253 OE1 GLU A 16 -2.942 -2.273 -15.812 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.551 -1.340 -16.899 1.00 0.00 O ATOM 0 H GLU A 16 -5.305 -5.391 -12.801 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.250 -5.585 -15.424 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.089 -3.619 -14.119 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.585 -4.329 -14.671 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.516 -4.272 -17.053 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.901 -3.392 -16.438 1.00 0.00 H new ATOM 261 N CYS A 17 -3.516 -7.267 -14.806 1.00 0.00 N ATOM 262 CA CYS A 17 -2.577 -8.237 -15.359 1.00 0.00 C ATOM 263 C CYS A 17 -3.327 -9.390 -16.021 1.00 0.00 C ATOM 264 O CYS A 17 -3.070 -9.734 -17.173 1.00 0.00 O ATOM 265 CB CYS A 17 -1.679 -8.796 -14.254 1.00 0.00 C ATOM 266 SG CYS A 17 -0.788 -7.436 -13.458 1.00 0.00 S ATOM 0 H CYS A 17 -3.456 -7.143 -13.795 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.966 -7.728 -16.104 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.279 -9.332 -13.519 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.972 -9.513 -14.672 1.00 0.00 H new ATOM 0 HG CYS A 17 0.429 -7.810 -13.195 1.00 0.00 H new ATOM 272 N ALA A 18 -4.256 -9.982 -15.276 1.00 0.00 N ATOM 273 CA ALA A 18 -5.040 -11.098 -15.799 1.00 0.00 C ATOM 274 C ALA A 18 -6.450 -10.638 -16.153 1.00 0.00 C ATOM 275 O ALA A 18 -6.824 -10.580 -17.325 1.00 0.00 O ATOM 276 CB ALA A 18 -5.126 -12.223 -14.766 1.00 0.00 C ATOM 0 H ALA A 18 -4.483 -9.712 -14.319 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.543 -11.468 -16.696 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.714 -13.046 -15.173 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.123 -12.576 -14.528 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.603 -11.849 -13.860 1.00 0.00 H new ATOM 400 N ASP A 29 -10.054 -10.434 4.300 1.00 0.00 N ATOM 401 CA ASP A 29 -8.745 -9.811 4.091 1.00 0.00 C ATOM 402 C ASP A 29 -8.008 -10.490 2.942 1.00 0.00 C ATOM 403 O ASP A 29 -7.910 -11.715 2.884 1.00 0.00 O ATOM 404 CB ASP A 29 -7.888 -9.904 5.358 1.00 0.00 C ATOM 405 CG ASP A 29 -6.863 -8.776 5.362 1.00 0.00 C ATOM 406 OD1 ASP A 29 -7.252 -7.647 5.610 1.00 0.00 O ATOM 407 OD2 ASP A 29 -5.701 -9.058 5.115 1.00 0.00 O ATOM 0 HA ASP A 29 -8.913 -8.762 3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.520 -9.838 6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.383 -10.869 5.398 1.00 0.00 H new ATOM 412 N PHE A 30 -7.490 -9.678 2.025 1.00 0.00 N ATOM 413 CA PHE A 30 -6.762 -10.207 0.875 1.00 0.00 C ATOM 414 C PHE A 30 -5.364 -9.606 0.793 1.00 0.00 C ATOM 415 O PHE A 30 -4.778 -9.514 -0.284 1.00 0.00 O ATOM 416 CB PHE A 30 -7.509 -9.887 -0.420 1.00 0.00 C ATOM 417 CG PHE A 30 -7.762 -8.396 -0.522 1.00 0.00 C ATOM 418 CD1 PHE A 30 -6.789 -7.546 -1.074 1.00 0.00 C ATOM 419 CD2 PHE A 30 -8.978 -7.865 -0.077 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.035 -6.174 -1.176 1.00 0.00 C ATOM 421 CE2 PHE A 30 -9.224 -6.491 -0.184 1.00 0.00 C ATOM 422 CZ PHE A 30 -8.253 -5.646 -0.732 1.00 0.00 C ATOM 0 H PHE A 30 -7.559 -8.661 2.054 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.684 -11.287 1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.927 -10.224 -1.277 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.456 -10.427 -0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.850 -7.953 -1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.727 -8.516 0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.285 -5.521 -1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.164 -6.083 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.443 -4.586 -0.813 1.00 0.00 H new ATOM 432 N LEU A 31 -4.835 -9.192 1.938 1.00 0.00 N ATOM 433 CA LEU A 31 -3.506 -8.591 1.963 1.00 0.00 C ATOM 434 C LEU A 31 -2.598 -9.285 2.972 1.00 0.00 C ATOM 435 O LEU A 31 -2.212 -8.717 3.994 1.00 0.00 O ATOM 436 CB LEU A 31 -3.610 -7.104 2.292 1.00 0.00 C ATOM 437 CG LEU A 31 -4.202 -6.376 1.082 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.758 -5.019 1.514 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.114 -6.178 0.019 1.00 0.00 C ATOM 0 H LEU A 31 -5.295 -9.259 2.846 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.065 -8.714 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.240 -6.954 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.627 -6.700 2.533 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.011 -6.974 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.178 -4.506 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.537 -5.166 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.956 -4.416 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.536 -5.660 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.301 -5.584 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.730 -7.149 -0.294 1.00 0.00 H new ATOM 451 N ASP A 32 -2.250 -10.524 2.648 1.00 0.00 N ATOM 452 CA ASP A 32 -1.367 -11.320 3.494 1.00 0.00 C ATOM 453 C ASP A 32 -0.383 -12.081 2.613 1.00 0.00 C ATOM 454 O ASP A 32 0.829 -12.043 2.822 1.00 0.00 O ATOM 455 CB ASP A 32 -2.171 -12.317 4.331 1.00 0.00 C ATOM 456 CG ASP A 32 -2.810 -11.593 5.510 1.00 0.00 C ATOM 457 OD1 ASP A 32 -2.127 -10.797 6.132 1.00 0.00 O ATOM 458 OD2 ASP A 32 -3.975 -11.845 5.774 1.00 0.00 O ATOM 0 H ASP A 32 -2.566 -11.001 1.804 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.831 -10.652 4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.941 -12.785 3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.520 -13.115 4.690 1.00 0.00 H new ATOM 463 N LEU A 33 -0.935 -12.758 1.609 1.00 0.00 N ATOM 464 CA LEU A 33 -0.132 -13.521 0.662 1.00 0.00 C ATOM 465 C LEU A 33 -0.851 -13.551 -0.685 1.00 0.00 C ATOM 466 O LEU A 33 -0.959 -14.590 -1.335 1.00 0.00 O ATOM 467 CB LEU A 33 0.082 -14.954 1.165 1.00 0.00 C ATOM 468 CG LEU A 33 1.411 -15.038 1.919 1.00 0.00 C ATOM 469 CD1 LEU A 33 1.305 -16.088 3.026 1.00 0.00 C ATOM 470 CD2 LEU A 33 2.523 -15.437 0.946 1.00 0.00 C ATOM 0 H LEU A 33 -1.939 -12.792 1.432 1.00 0.00 H new ATOM 0 HA LEU A 33 0.843 -13.045 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.739 -15.247 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.084 -15.649 0.325 1.00 0.00 H new ATOM 0 HG LEU A 33 1.641 -14.068 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.252 -16.148 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.512 -15.807 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.076 -17.059 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.471 -15.497 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.292 -16.408 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.600 -14.691 0.155 1.00 0.00 H new ATOM 482 N ARG A 34 -1.357 -12.383 -1.085 1.00 0.00 N ATOM 483 CA ARG A 34 -2.092 -12.253 -2.345 1.00 0.00 C ATOM 484 C ARG A 34 -1.284 -12.790 -3.525 1.00 0.00 C ATOM 485 O ARG A 34 -1.658 -13.791 -4.134 1.00 0.00 O ATOM 486 CB ARG A 34 -2.444 -10.786 -2.609 1.00 0.00 C ATOM 487 CG ARG A 34 -3.387 -10.689 -3.811 1.00 0.00 C ATOM 488 CD ARG A 34 -4.253 -9.435 -3.683 1.00 0.00 C ATOM 489 NE ARG A 34 -4.938 -9.151 -4.941 1.00 0.00 N ATOM 490 CZ ARG A 34 -6.257 -9.282 -5.049 1.00 0.00 C ATOM 491 NH1 ARG A 34 -6.839 -10.382 -4.654 1.00 0.00 N ATOM 492 NH2 ARG A 34 -6.970 -8.309 -5.547 1.00 0.00 N ATOM 0 H ARG A 34 -1.272 -11.515 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.004 -12.842 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.916 -10.351 -1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.537 -10.213 -2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.811 -10.653 -4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.019 -11.576 -3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.985 -9.572 -2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.632 -8.585 -3.401 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.396 -8.847 -5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.282 -11.141 -4.262 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.851 -10.482 -4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.516 -7.449 -5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.982 -8.409 -5.630 1.00 0.00 H new ATOM 506 N PHE A 35 -0.180 -12.109 -3.851 1.00 0.00 N ATOM 507 CA PHE A 35 0.673 -12.517 -4.981 1.00 0.00 C ATOM 508 C PHE A 35 0.903 -14.032 -5.006 1.00 0.00 C ATOM 509 O PHE A 35 0.443 -14.720 -5.913 1.00 0.00 O ATOM 510 CB PHE A 35 2.042 -11.841 -4.907 1.00 0.00 C ATOM 511 CG PHE A 35 1.931 -10.355 -5.179 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.344 -9.861 -6.364 1.00 0.00 C ATOM 513 CD2 PHE A 35 2.431 -9.460 -4.229 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.267 -8.483 -6.572 1.00 0.00 C ATOM 515 CE2 PHE A 35 2.351 -8.086 -4.446 1.00 0.00 C ATOM 516 CZ PHE A 35 1.767 -7.595 -5.617 1.00 0.00 C ATOM 0 H PHE A 35 0.145 -11.279 -3.355 1.00 0.00 H new ATOM 0 HA PHE A 35 0.145 -12.212 -5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.478 -12.002 -3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.716 -12.297 -5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.957 -10.545 -7.105 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.882 -9.835 -3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.818 -8.101 -7.477 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.741 -7.400 -3.709 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.702 -6.530 -5.783 1.00 0.00 H new ATOM 526 N GLU A 36 1.636 -14.529 -4.009 1.00 0.00 N ATOM 527 CA GLU A 36 1.947 -15.955 -3.922 1.00 0.00 C ATOM 528 C GLU A 36 0.737 -16.741 -3.433 1.00 0.00 C ATOM 529 O GLU A 36 0.628 -17.084 -2.255 1.00 0.00 O ATOM 530 CB GLU A 36 3.117 -16.189 -2.968 1.00 0.00 C ATOM 531 CG GLU A 36 3.943 -17.382 -3.453 1.00 0.00 C ATOM 532 CD GLU A 36 5.342 -17.311 -2.851 1.00 0.00 C ATOM 533 OE1 GLU A 36 6.011 -16.315 -3.072 1.00 0.00 O ATOM 534 OE2 GLU A 36 5.724 -18.253 -2.177 1.00 0.00 O ATOM 0 H GLU A 36 2.024 -13.966 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 36 2.218 -16.300 -4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.742 -15.297 -2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.746 -16.376 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.458 -18.315 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.003 -17.378 -4.541 1.00 0.00 H new ATOM 541 N ASP A 37 -0.160 -17.022 -4.367 1.00 0.00 N ATOM 542 CA ASP A 37 -1.383 -17.773 -4.075 1.00 0.00 C ATOM 543 C ASP A 37 -2.289 -17.792 -5.304 1.00 0.00 C ATOM 544 O ASP A 37 -2.998 -18.767 -5.555 1.00 0.00 O ATOM 545 CB ASP A 37 -2.158 -17.144 -2.904 1.00 0.00 C ATOM 546 CG ASP A 37 -2.720 -18.245 -2.009 1.00 0.00 C ATOM 547 OD1 ASP A 37 -1.958 -18.798 -1.235 1.00 0.00 O ATOM 548 OD2 ASP A 37 -3.905 -18.517 -2.112 1.00 0.00 O ATOM 0 H ASP A 37 -0.067 -16.741 -5.343 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.091 -18.787 -3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.500 -16.494 -2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.968 -16.522 -3.284 1.00 0.00 H new ATOM 553 N ILE A 38 -2.274 -16.692 -6.058 1.00 0.00 N ATOM 554 CA ILE A 38 -3.120 -16.585 -7.249 1.00 0.00 C ATOM 555 C ILE A 38 -2.301 -16.870 -8.515 1.00 0.00 C ATOM 556 O ILE A 38 -1.194 -17.404 -8.446 1.00 0.00 O ATOM 557 CB ILE A 38 -3.835 -15.189 -7.311 1.00 0.00 C ATOM 558 CG1 ILE A 38 -3.022 -14.110 -8.080 1.00 0.00 C ATOM 559 CG2 ILE A 38 -4.075 -14.662 -5.893 1.00 0.00 C ATOM 560 CD1 ILE A 38 -3.834 -13.623 -9.288 1.00 0.00 C ATOM 0 H ILE A 38 -1.695 -15.874 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.904 -17.339 -7.187 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.769 -15.358 -7.846 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.793 -13.273 -7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.070 -14.524 -8.411 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.571 -13.693 -5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.704 -15.364 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.120 -14.554 -5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.265 -12.866 -9.828 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.040 -14.464 -9.951 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.775 -13.193 -8.944 1.00 0.00 H new ATOM 572 N GLY A 39 -2.858 -16.500 -9.666 1.00 0.00 N ATOM 573 CA GLY A 39 -2.170 -16.714 -10.936 1.00 0.00 C ATOM 574 C GLY A 39 -1.862 -15.383 -11.620 1.00 0.00 C ATOM 575 O GLY A 39 -2.189 -15.180 -12.789 1.00 0.00 O ATOM 0 H GLY A 39 -3.773 -16.056 -9.746 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.244 -17.262 -10.765 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.788 -17.329 -11.590 1.00 0.00 H new ATOM 579 N TYR A 40 -1.227 -14.478 -10.876 1.00 0.00 N ATOM 580 CA TYR A 40 -0.877 -13.177 -11.403 1.00 0.00 C ATOM 581 C TYR A 40 0.533 -13.252 -12.014 1.00 0.00 C ATOM 582 O TYR A 40 1.088 -14.337 -12.188 1.00 0.00 O ATOM 583 CB TYR A 40 -0.955 -12.122 -10.258 1.00 0.00 C ATOM 584 CG TYR A 40 0.316 -12.080 -9.466 1.00 0.00 C ATOM 585 CD1 TYR A 40 0.597 -13.081 -8.538 1.00 0.00 C ATOM 586 CD2 TYR A 40 1.230 -11.060 -9.710 1.00 0.00 C ATOM 587 CE1 TYR A 40 1.815 -13.054 -7.850 1.00 0.00 C ATOM 588 CE2 TYR A 40 2.431 -11.023 -9.022 1.00 0.00 C ATOM 589 CZ TYR A 40 2.734 -12.020 -8.091 1.00 0.00 C ATOM 590 OH TYR A 40 3.941 -11.991 -7.422 1.00 0.00 O ATOM 0 H TYR A 40 -0.948 -14.630 -9.907 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.573 -12.875 -12.185 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.154 -11.138 -10.681 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.789 -12.360 -9.598 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.118 -13.869 -8.352 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.002 -10.295 -10.438 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.048 -13.828 -7.134 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.134 -10.223 -9.205 1.00 0.00 H new ATOM 0 HH TYR A 40 4.456 -11.208 -7.709 1.00 0.00 H new ATOM 600 N ASP A 41 1.110 -12.094 -12.305 1.00 0.00 N ATOM 601 CA ASP A 41 2.467 -12.046 -12.857 1.00 0.00 C ATOM 602 C ASP A 41 3.365 -11.208 -11.946 1.00 0.00 C ATOM 603 O ASP A 41 3.023 -10.086 -11.572 1.00 0.00 O ATOM 604 CB ASP A 41 2.501 -11.467 -14.285 1.00 0.00 C ATOM 605 CG ASP A 41 1.298 -10.558 -14.543 1.00 0.00 C ATOM 606 OD1 ASP A 41 1.028 -9.714 -13.706 1.00 0.00 O ATOM 607 OD2 ASP A 41 0.667 -10.724 -15.575 1.00 0.00 O ATOM 0 H ASP A 41 0.671 -11.183 -12.172 1.00 0.00 H new ATOM 0 HA ASP A 41 2.831 -13.072 -12.910 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.423 -10.904 -14.430 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.507 -12.281 -15.010 1.00 0.00 H new ATOM 612 N SER A 42 4.509 -11.781 -11.579 1.00 0.00 N ATOM 613 CA SER A 42 5.454 -11.101 -10.689 1.00 0.00 C ATOM 614 C SER A 42 6.300 -10.080 -11.446 1.00 0.00 C ATOM 615 O SER A 42 6.448 -8.936 -11.017 1.00 0.00 O ATOM 616 CB SER A 42 6.385 -12.120 -10.031 1.00 0.00 C ATOM 617 OG SER A 42 7.110 -11.487 -8.985 1.00 0.00 O ATOM 0 H SER A 42 4.805 -12.709 -11.881 1.00 0.00 H new ATOM 0 HA SER A 42 4.870 -10.580 -9.930 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.807 -12.955 -9.635 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.074 -12.531 -10.769 1.00 0.00 H new ATOM 0 HG SER A 42 7.707 -12.138 -8.560 1.00 0.00 H new ATOM 623 N LEU A 43 6.865 -10.507 -12.566 1.00 0.00 N ATOM 624 CA LEU A 43 7.708 -9.619 -13.362 1.00 0.00 C ATOM 625 C LEU A 43 6.875 -8.582 -14.118 1.00 0.00 C ATOM 626 O LEU A 43 7.402 -7.562 -14.565 1.00 0.00 O ATOM 627 CB LEU A 43 8.530 -10.424 -14.369 1.00 0.00 C ATOM 628 CG LEU A 43 9.717 -11.073 -13.654 1.00 0.00 C ATOM 629 CD1 LEU A 43 9.206 -12.127 -12.669 1.00 0.00 C ATOM 630 CD2 LEU A 43 10.629 -11.739 -14.686 1.00 0.00 C ATOM 0 H LEU A 43 6.759 -11.449 -12.943 1.00 0.00 H new ATOM 0 HA LEU A 43 8.372 -9.100 -12.671 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.908 -11.190 -14.833 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.884 -9.773 -15.168 1.00 0.00 H new ATOM 0 HG LEU A 43 10.276 -10.311 -13.111 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.052 -12.589 -12.160 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.555 -11.653 -11.934 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.647 -12.890 -13.210 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.475 -12.202 -14.179 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.069 -12.501 -15.228 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.993 -10.989 -15.388 1.00 0.00 H new ATOM 642 N ALA A 44 5.578 -8.848 -14.275 1.00 0.00 N ATOM 643 CA ALA A 44 4.716 -7.917 -14.998 1.00 0.00 C ATOM 644 C ALA A 44 4.092 -6.881 -14.064 1.00 0.00 C ATOM 645 O ALA A 44 3.734 -5.791 -14.505 1.00 0.00 O ATOM 646 CB ALA A 44 3.602 -8.662 -15.733 1.00 0.00 C ATOM 0 H ALA A 44 5.110 -9.682 -13.920 1.00 0.00 H new ATOM 0 HA ALA A 44 5.348 -7.401 -15.721 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.974 -7.946 -16.263 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.040 -9.359 -16.447 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.996 -9.213 -15.013 1.00 0.00 H new ATOM 652 N LEU A 45 3.957 -7.215 -12.777 1.00 0.00 N ATOM 653 CA LEU A 45 3.369 -6.260 -11.838 1.00 0.00 C ATOM 654 C LEU A 45 4.367 -5.131 -11.578 1.00 0.00 C ATOM 655 O LEU A 45 3.999 -3.961 -11.467 1.00 0.00 O ATOM 656 CB LEU A 45 2.879 -6.969 -10.533 1.00 0.00 C ATOM 657 CG LEU A 45 3.850 -6.854 -9.319 1.00 0.00 C ATOM 658 CD1 LEU A 45 3.059 -6.466 -8.073 1.00 0.00 C ATOM 659 CD2 LEU A 45 4.508 -8.206 -9.062 1.00 0.00 C ATOM 0 H LEU A 45 4.237 -8.109 -12.373 1.00 0.00 H new ATOM 0 HA LEU A 45 2.475 -5.816 -12.275 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.914 -6.549 -10.249 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.715 -8.025 -10.750 1.00 0.00 H new ATOM 0 HG LEU A 45 4.607 -6.101 -9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.736 -6.385 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.567 -5.507 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.308 -7.228 -7.867 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.187 -8.125 -8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.741 -8.948 -8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.068 -8.512 -9.946 1.00 0.00 H new ATOM 671 N MET A 46 5.641 -5.510 -11.497 1.00 0.00 N ATOM 672 CA MET A 46 6.705 -4.537 -11.264 1.00 0.00 C ATOM 673 C MET A 46 6.935 -3.695 -12.516 1.00 0.00 C ATOM 674 O MET A 46 7.303 -2.524 -12.434 1.00 0.00 O ATOM 675 CB MET A 46 8.009 -5.251 -10.898 1.00 0.00 C ATOM 676 CG MET A 46 9.065 -4.218 -10.482 1.00 0.00 C ATOM 677 SD MET A 46 10.695 -4.727 -11.087 1.00 0.00 S ATOM 678 CE MET A 46 11.603 -3.255 -10.557 1.00 0.00 C ATOM 0 H MET A 46 5.959 -6.475 -11.588 1.00 0.00 H new ATOM 0 HA MET A 46 6.401 -3.891 -10.440 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.834 -5.954 -10.084 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.368 -5.831 -11.748 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.807 -3.239 -10.885 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.084 -4.121 -9.396 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.664 -3.386 -10.770 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.229 -2.384 -11.095 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.464 -3.108 -9.486 1.00 0.00 H new ATOM 688 N GLU A 47 6.715 -4.309 -13.679 1.00 0.00 N ATOM 689 CA GLU A 47 6.900 -3.608 -14.948 1.00 0.00 C ATOM 690 C GLU A 47 5.754 -2.630 -15.198 1.00 0.00 C ATOM 691 O GLU A 47 5.922 -1.618 -15.879 1.00 0.00 O ATOM 692 CB GLU A 47 6.960 -4.607 -16.107 1.00 0.00 C ATOM 693 CG GLU A 47 8.385 -5.147 -16.245 1.00 0.00 C ATOM 694 CD GLU A 47 8.424 -6.206 -17.342 1.00 0.00 C ATOM 695 OE1 GLU A 47 7.970 -7.309 -17.090 1.00 0.00 O ATOM 696 OE2 GLU A 47 8.907 -5.896 -18.419 1.00 0.00 O ATOM 0 H GLU A 47 6.412 -5.279 -13.768 1.00 0.00 H new ATOM 0 HA GLU A 47 7.839 -3.057 -14.889 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.265 -5.428 -15.930 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.652 -4.123 -17.034 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.071 -4.335 -16.484 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.716 -5.576 -15.299 1.00 0.00 H new ATOM 703 N THR A 48 4.586 -2.942 -14.640 1.00 0.00 N ATOM 704 CA THR A 48 3.417 -2.084 -14.809 1.00 0.00 C ATOM 705 C THR A 48 3.566 -0.821 -13.969 1.00 0.00 C ATOM 706 O THR A 48 3.272 0.282 -14.423 1.00 0.00 O ATOM 707 CB THR A 48 2.143 -2.823 -14.387 1.00 0.00 C ATOM 708 OG1 THR A 48 2.057 -4.052 -15.092 1.00 0.00 O ATOM 709 CG2 THR A 48 0.916 -1.966 -14.705 1.00 0.00 C ATOM 0 H THR A 48 4.425 -3.774 -14.073 1.00 0.00 H new ATOM 0 HA THR A 48 3.342 -1.814 -15.862 1.00 0.00 H new ATOM 0 HB THR A 48 2.177 -3.016 -13.315 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.381 -4.780 -14.522 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.013 -2.497 -14.403 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.981 -1.022 -14.163 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.879 -1.767 -15.776 1.00 0.00 H new ATOM 717 N ALA A 49 4.029 -0.998 -12.736 1.00 0.00 N ATOM 718 CA ALA A 49 4.218 0.135 -11.836 1.00 0.00 C ATOM 719 C ALA A 49 5.336 1.039 -12.352 1.00 0.00 C ATOM 720 O ALA A 49 5.264 2.264 -12.252 1.00 0.00 O ATOM 721 CB ALA A 49 4.578 -0.352 -10.431 1.00 0.00 C ATOM 0 H ALA A 49 4.278 -1.904 -12.340 1.00 0.00 H new ATOM 0 HA ALA A 49 3.284 0.696 -11.796 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.715 0.506 -9.773 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.774 -0.980 -10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.501 -0.930 -10.472 1.00 0.00 H new ATOM 727 N ALA A 50 6.370 0.415 -12.908 1.00 0.00 N ATOM 728 CA ALA A 50 7.506 1.162 -13.441 1.00 0.00 C ATOM 729 C ALA A 50 7.071 2.036 -14.613 1.00 0.00 C ATOM 730 O ALA A 50 7.507 3.180 -14.748 1.00 0.00 O ATOM 731 CB ALA A 50 8.599 0.203 -13.914 1.00 0.00 C ATOM 0 H ALA A 50 6.446 -0.598 -13.001 1.00 0.00 H new ATOM 0 HA ALA A 50 7.896 1.795 -12.644 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.439 0.775 -14.309 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.937 -0.406 -13.075 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.202 -0.444 -14.696 1.00 0.00 H new ATOM 737 N ARG A 51 6.209 1.484 -15.461 1.00 0.00 N ATOM 738 CA ARG A 51 5.721 2.220 -16.625 1.00 0.00 C ATOM 739 C ARG A 51 4.955 3.466 -16.190 1.00 0.00 C ATOM 740 O ARG A 51 5.236 4.576 -16.643 1.00 0.00 O ATOM 741 CB ARG A 51 4.800 1.337 -17.469 1.00 0.00 C ATOM 742 CG ARG A 51 5.632 0.566 -18.494 1.00 0.00 C ATOM 743 CD ARG A 51 5.688 1.353 -19.805 1.00 0.00 C ATOM 744 NE ARG A 51 6.635 2.460 -19.700 1.00 0.00 N ATOM 745 CZ ARG A 51 6.477 3.568 -20.421 1.00 0.00 C ATOM 746 NH1 ARG A 51 6.807 3.576 -21.684 1.00 0.00 N ATOM 747 NH2 ARG A 51 5.992 4.644 -19.866 1.00 0.00 N ATOM 0 H ARG A 51 5.836 0.539 -15.367 1.00 0.00 H new ATOM 0 HA ARG A 51 6.585 2.517 -17.220 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.258 0.642 -16.828 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.055 1.950 -17.976 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.640 0.404 -18.112 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.195 -0.417 -18.667 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.982 0.692 -20.620 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.697 1.737 -20.048 1.00 0.00 H new ATOM 0 HE ARG A 51 7.429 2.383 -19.065 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.185 2.734 -22.118 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.686 4.424 -22.237 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.734 4.637 -18.879 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.871 5.493 -20.419 1.00 0.00 H new ATOM 761 N LEU A 52 3.982 3.270 -15.304 1.00 0.00 N ATOM 762 CA LEU A 52 3.176 4.383 -14.812 1.00 0.00 C ATOM 763 C LEU A 52 3.796 5.014 -13.560 1.00 0.00 C ATOM 764 O LEU A 52 3.159 5.825 -12.889 1.00 0.00 O ATOM 765 CB LEU A 52 1.763 3.906 -14.473 1.00 0.00 C ATOM 766 CG LEU A 52 1.050 3.465 -15.753 1.00 0.00 C ATOM 767 CD1 LEU A 52 1.403 2.009 -16.060 1.00 0.00 C ATOM 768 CD2 LEU A 52 -0.463 3.593 -15.562 1.00 0.00 C ATOM 0 H LEU A 52 3.734 2.360 -14.915 1.00 0.00 H new ATOM 0 HA LEU A 52 3.139 5.131 -15.604 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.808 3.078 -13.766 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.204 4.707 -13.991 1.00 0.00 H new ATOM 0 HG LEU A 52 1.368 4.097 -16.582 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.895 1.696 -16.972 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.481 1.917 -16.195 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.086 1.375 -15.232 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.973 3.279 -16.473 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.780 2.960 -14.733 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.716 4.631 -15.344 1.00 0.00 H new ATOM 780 N GLU A 53 5.041 4.643 -13.246 1.00 0.00 N ATOM 781 CA GLU A 53 5.718 5.192 -12.070 1.00 0.00 C ATOM 782 C GLU A 53 5.803 6.714 -12.162 1.00 0.00 C ATOM 783 O GLU A 53 5.750 7.416 -11.152 1.00 0.00 O ATOM 784 CB GLU A 53 7.131 4.620 -11.955 1.00 0.00 C ATOM 785 CG GLU A 53 7.679 4.878 -10.550 1.00 0.00 C ATOM 786 CD GLU A 53 8.992 4.127 -10.370 1.00 0.00 C ATOM 787 OE1 GLU A 53 10.022 4.680 -10.717 1.00 0.00 O ATOM 788 OE2 GLU A 53 8.949 3.006 -9.889 1.00 0.00 O ATOM 0 H GLU A 53 5.593 3.974 -13.782 1.00 0.00 H new ATOM 0 HA GLU A 53 5.139 4.915 -11.189 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.118 3.550 -12.160 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.781 5.079 -12.699 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.835 5.946 -10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.957 4.553 -9.801 1.00 0.00 H new ATOM 795 N SER A 54 5.933 7.212 -13.388 1.00 0.00 N ATOM 796 CA SER A 54 6.022 8.652 -13.610 1.00 0.00 C ATOM 797 C SER A 54 4.639 9.292 -13.509 1.00 0.00 C ATOM 798 O SER A 54 4.499 10.436 -13.078 1.00 0.00 O ATOM 799 CB SER A 54 6.607 8.946 -14.990 1.00 0.00 C ATOM 800 OG SER A 54 5.737 8.428 -15.988 1.00 0.00 O ATOM 0 H SER A 54 5.979 6.646 -14.236 1.00 0.00 H new ATOM 0 HA SER A 54 6.674 9.071 -12.844 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.733 10.020 -15.123 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.595 8.495 -15.083 1.00 0.00 H new ATOM 0 HG SER A 54 6.108 8.616 -16.875 1.00 0.00 H new ATOM 806 N ARG A 55 3.621 8.537 -13.911 1.00 0.00 N ATOM 807 CA ARG A 55 2.247 9.034 -13.864 1.00 0.00 C ATOM 808 C ARG A 55 1.847 9.360 -12.428 1.00 0.00 C ATOM 809 O ARG A 55 1.175 10.358 -12.166 1.00 0.00 O ATOM 810 CB ARG A 55 1.283 7.984 -14.421 1.00 0.00 C ATOM 811 CG ARG A 55 -0.097 8.612 -14.627 1.00 0.00 C ATOM 812 CD ARG A 55 -0.929 7.720 -15.549 1.00 0.00 C ATOM 813 NE ARG A 55 -2.341 8.085 -15.485 1.00 0.00 N ATOM 814 CZ ARG A 55 -3.095 8.104 -16.580 1.00 0.00 C ATOM 815 NH1 ARG A 55 -2.714 8.792 -17.621 1.00 0.00 N ATOM 816 NH2 ARG A 55 -4.213 7.432 -16.615 1.00 0.00 N ATOM 0 H ARG A 55 3.718 7.587 -14.270 1.00 0.00 H new ATOM 0 HA ARG A 55 2.194 9.938 -14.470 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.661 7.594 -15.366 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.211 7.141 -13.734 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.601 8.732 -13.668 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.005 9.607 -15.060 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.570 7.813 -16.574 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.805 6.676 -15.262 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.756 8.329 -14.586 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.838 9.315 -17.594 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.292 8.807 -18.462 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.509 6.892 -15.802 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.791 7.447 -17.455 1.00 0.00 H new ATOM 830 N TYR A 56 2.271 8.505 -11.502 1.00 0.00 N ATOM 831 CA TYR A 56 1.957 8.705 -10.091 1.00 0.00 C ATOM 832 C TYR A 56 2.838 9.801 -9.495 1.00 0.00 C ATOM 833 O TYR A 56 2.436 10.502 -8.566 1.00 0.00 O ATOM 834 CB TYR A 56 2.174 7.407 -9.306 1.00 0.00 C ATOM 835 CG TYR A 56 0.978 6.501 -9.482 1.00 0.00 C ATOM 836 CD1 TYR A 56 0.566 6.124 -10.766 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.278 6.038 -8.360 1.00 0.00 C ATOM 838 CE1 TYR A 56 -0.544 5.286 -10.928 1.00 0.00 C ATOM 839 CE2 TYR A 56 -0.830 5.200 -8.522 1.00 0.00 C ATOM 840 CZ TYR A 56 -1.242 4.824 -9.805 1.00 0.00 C ATOM 841 OH TYR A 56 -2.336 3.998 -9.965 1.00 0.00 O ATOM 0 H TYR A 56 2.828 7.674 -11.701 1.00 0.00 H new ATOM 0 HA TYR A 56 0.911 9.004 -10.019 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.077 6.906 -9.655 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.322 7.630 -8.249 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.105 6.480 -11.632 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.594 6.329 -7.369 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.862 4.996 -11.919 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.368 4.843 -7.656 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.704 3.768 -9.086 1.00 0.00 H new ATOM 851 N GLY A 57 4.045 9.942 -10.039 1.00 0.00 N ATOM 852 CA GLY A 57 4.978 10.956 -9.553 1.00 0.00 C ATOM 853 C GLY A 57 5.671 10.490 -8.275 1.00 0.00 C ATOM 854 O GLY A 57 6.070 11.301 -7.438 1.00 0.00 O ATOM 0 H GLY A 57 4.397 9.373 -10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.724 11.167 -10.320 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.443 11.887 -9.363 1.00 0.00 H new ATOM 858 N VAL A 58 5.808 9.174 -8.132 1.00 0.00 N ATOM 859 CA VAL A 58 6.449 8.604 -6.958 1.00 0.00 C ATOM 860 C VAL A 58 7.914 8.275 -7.260 1.00 0.00 C ATOM 861 O VAL A 58 8.325 8.229 -8.419 1.00 0.00 O ATOM 862 CB VAL A 58 5.693 7.338 -6.525 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.801 6.246 -7.597 1.00 0.00 C ATOM 864 CG2 VAL A 58 6.274 6.814 -5.221 1.00 0.00 C ATOM 0 H VAL A 58 5.484 8.488 -8.813 1.00 0.00 H new ATOM 0 HA VAL A 58 6.422 9.330 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 58 4.643 7.597 -6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.259 5.359 -7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.372 6.609 -8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.849 5.993 -7.754 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.735 5.916 -4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.328 6.574 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.176 7.575 -4.447 1.00 0.00 H new ATOM 874 N SER A 59 8.698 8.051 -6.206 1.00 0.00 N ATOM 875 CA SER A 59 10.115 7.735 -6.374 1.00 0.00 C ATOM 876 C SER A 59 10.291 6.482 -7.229 1.00 0.00 C ATOM 877 O SER A 59 9.325 5.947 -7.774 1.00 0.00 O ATOM 878 CB SER A 59 10.774 7.504 -5.014 1.00 0.00 C ATOM 879 OG SER A 59 12.155 7.828 -5.100 1.00 0.00 O ATOM 0 H SER A 59 8.380 8.082 -5.237 1.00 0.00 H new ATOM 0 HA SER A 59 10.589 8.581 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.291 8.118 -4.254 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.651 6.465 -4.709 1.00 0.00 H new ATOM 0 HG SER A 59 12.580 7.683 -4.229 1.00 0.00 H new ATOM 885 N ILE A 60 11.536 6.032 -7.357 1.00 0.00 N ATOM 886 CA ILE A 60 11.825 4.852 -8.169 1.00 0.00 C ATOM 887 C ILE A 60 12.348 3.699 -7.301 1.00 0.00 C ATOM 888 O ILE A 60 13.558 3.498 -7.194 1.00 0.00 O ATOM 889 CB ILE A 60 12.874 5.182 -9.238 1.00 0.00 C ATOM 890 CG1 ILE A 60 12.434 6.419 -10.030 1.00 0.00 C ATOM 891 CG2 ILE A 60 13.020 3.997 -10.195 1.00 0.00 C ATOM 892 CD1 ILE A 60 13.660 7.074 -10.671 1.00 0.00 C ATOM 0 H ILE A 60 12.351 6.459 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 60 10.894 4.546 -8.646 1.00 0.00 H new ATOM 0 HB ILE A 60 13.829 5.382 -8.753 1.00 0.00 H new ATOM 0 HG12 ILE A 60 11.715 6.136 -10.799 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.932 7.127 -9.371 1.00 0.00 H new ATOM 0 HG21 ILE A 60 13.766 4.232 -10.954 1.00 0.00 H new ATOM 0 HG22 ILE A 60 13.336 3.116 -9.637 1.00 0.00 H new ATOM 0 HG23 ILE A 60 12.062 3.798 -10.676 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.350 7.954 -11.235 1.00 0.00 H new ATOM 0 HD12 ILE A 60 14.363 7.371 -9.892 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.142 6.364 -11.343 1.00 0.00 H new ATOM 904 N PRO A 61 11.448 2.914 -6.685 1.00 0.00 N ATOM 905 CA PRO A 61 11.857 1.772 -5.849 1.00 0.00 C ATOM 906 C PRO A 61 12.145 0.530 -6.692 1.00 0.00 C ATOM 907 O PRO A 61 11.230 -0.122 -7.194 1.00 0.00 O ATOM 908 CB PRO A 61 10.633 1.558 -4.968 1.00 0.00 C ATOM 909 CG PRO A 61 9.437 2.143 -5.713 1.00 0.00 C ATOM 910 CD PRO A 61 9.982 3.106 -6.772 1.00 0.00 C ATOM 0 HA PRO A 61 12.776 1.955 -5.292 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.482 0.497 -4.770 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.763 2.047 -4.003 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.851 1.351 -6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.774 2.666 -5.024 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.603 2.867 -7.766 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.698 4.137 -6.562 1.00 0.00 H new ATOM 918 N ASP A 62 13.428 0.223 -6.856 1.00 0.00 N ATOM 919 CA ASP A 62 13.826 -0.933 -7.658 1.00 0.00 C ATOM 920 C ASP A 62 14.143 -2.140 -6.775 1.00 0.00 C ATOM 921 O ASP A 62 14.053 -3.283 -7.219 1.00 0.00 O ATOM 922 CB ASP A 62 15.060 -0.596 -8.498 1.00 0.00 C ATOM 923 CG ASP A 62 14.628 0.117 -9.775 1.00 0.00 C ATOM 924 OD1 ASP A 62 14.438 1.321 -9.722 1.00 0.00 O ATOM 925 OD2 ASP A 62 14.493 -0.551 -10.787 1.00 0.00 O ATOM 0 H ASP A 62 14.202 0.749 -6.451 1.00 0.00 H new ATOM 0 HA ASP A 62 12.989 -1.183 -8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.739 0.037 -7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.605 -1.507 -8.744 1.00 0.00 H new ATOM 930 N ASP A 63 14.523 -1.880 -5.527 1.00 0.00 N ATOM 931 CA ASP A 63 14.857 -2.966 -4.607 1.00 0.00 C ATOM 932 C ASP A 63 13.592 -3.603 -4.034 1.00 0.00 C ATOM 933 O ASP A 63 13.286 -4.764 -4.305 1.00 0.00 O ATOM 934 CB ASP A 63 15.721 -2.446 -3.456 1.00 0.00 C ATOM 935 CG ASP A 63 16.688 -3.537 -3.010 1.00 0.00 C ATOM 936 OD1 ASP A 63 16.237 -4.485 -2.389 1.00 0.00 O ATOM 937 OD2 ASP A 63 17.866 -3.410 -3.299 1.00 0.00 O ATOM 0 H ASP A 63 14.607 -0.943 -5.133 1.00 0.00 H new ATOM 0 HA ASP A 63 15.412 -3.717 -5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.275 -1.563 -3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.089 -2.143 -2.621 1.00 0.00 H new ATOM 942 N VAL A 64 12.865 -2.829 -3.231 1.00 0.00 N ATOM 943 CA VAL A 64 11.639 -3.325 -2.610 1.00 0.00 C ATOM 944 C VAL A 64 10.624 -3.749 -3.674 1.00 0.00 C ATOM 945 O VAL A 64 9.989 -4.797 -3.565 1.00 0.00 O ATOM 946 CB VAL A 64 11.031 -2.242 -1.703 1.00 0.00 C ATOM 947 CG1 VAL A 64 10.651 -1.010 -2.530 1.00 0.00 C ATOM 948 CG2 VAL A 64 9.786 -2.788 -0.997 1.00 0.00 C ATOM 0 H VAL A 64 13.101 -1.865 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 64 11.889 -4.197 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 64 11.773 -1.956 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.222 -0.251 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.541 -0.609 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.920 -1.292 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.362 -2.014 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.048 -3.088 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.061 -3.651 -0.390 1.00 0.00 H new ATOM 958 N ALA A 65 10.477 -2.919 -4.701 1.00 0.00 N ATOM 959 CA ALA A 65 9.535 -3.214 -5.776 1.00 0.00 C ATOM 960 C ALA A 65 10.071 -4.328 -6.670 1.00 0.00 C ATOM 961 O ALA A 65 9.310 -5.129 -7.212 1.00 0.00 O ATOM 962 CB ALA A 65 9.288 -1.968 -6.628 1.00 0.00 C ATOM 0 H ALA A 65 10.992 -2.045 -4.812 1.00 0.00 H new ATOM 0 HA ALA A 65 8.598 -3.535 -5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.583 -2.206 -7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.875 -1.176 -6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.229 -1.633 -7.064 1.00 0.00 H new ATOM 968 N GLY A 66 11.394 -4.371 -6.817 1.00 0.00 N ATOM 969 CA GLY A 66 12.026 -5.392 -7.648 1.00 0.00 C ATOM 970 C GLY A 66 11.705 -6.791 -7.133 1.00 0.00 C ATOM 971 O GLY A 66 11.595 -7.742 -7.906 1.00 0.00 O ATOM 0 H GLY A 66 12.042 -3.718 -6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.683 -5.292 -8.678 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.106 -5.242 -7.656 1.00 0.00 H new ATOM 975 N ARG A 67 11.557 -6.906 -5.817 1.00 0.00 N ATOM 976 CA ARG A 67 11.250 -8.196 -5.207 1.00 0.00 C ATOM 977 C ARG A 67 10.162 -8.039 -4.147 1.00 0.00 C ATOM 978 O ARG A 67 10.419 -8.134 -2.947 1.00 0.00 O ATOM 979 CB ARG A 67 12.506 -8.795 -4.565 1.00 0.00 C ATOM 980 CG ARG A 67 13.297 -9.586 -5.617 1.00 0.00 C ATOM 981 CD ARG A 67 14.789 -9.270 -5.485 1.00 0.00 C ATOM 982 NE ARG A 67 15.381 -10.024 -4.382 1.00 0.00 N ATOM 983 CZ ARG A 67 15.906 -9.400 -3.331 1.00 0.00 C ATOM 984 NH1 ARG A 67 17.146 -8.994 -3.365 1.00 0.00 N ATOM 985 NH2 ARG A 67 15.182 -9.193 -2.266 1.00 0.00 N ATOM 0 H ARG A 67 11.643 -6.132 -5.159 1.00 0.00 H new ATOM 0 HA ARG A 67 10.893 -8.866 -5.989 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.127 -8.002 -4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.227 -9.448 -3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.129 -10.655 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.948 -9.329 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.301 -9.515 -6.416 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.926 -8.202 -5.317 1.00 0.00 H new ATOM 0 HE ARG A 67 15.392 -11.043 -4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.713 -9.155 -4.198 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.548 -8.516 -2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.213 -9.510 -2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.585 -8.715 -1.460 1.00 0.00 H new ATOM 999 N VAL A 68 8.937 -7.797 -4.608 1.00 0.00 N ATOM 1000 CA VAL A 68 7.812 -7.628 -3.694 1.00 0.00 C ATOM 1001 C VAL A 68 7.150 -8.978 -3.412 1.00 0.00 C ATOM 1002 O VAL A 68 6.696 -9.666 -4.327 1.00 0.00 O ATOM 1003 CB VAL A 68 6.783 -6.646 -4.283 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.148 -7.230 -5.552 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.690 -6.367 -3.247 1.00 0.00 C ATOM 0 H VAL A 68 8.700 -7.714 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 68 8.187 -7.218 -2.756 1.00 0.00 H new ATOM 0 HB VAL A 68 7.293 -5.718 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.423 -6.523 -5.955 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.924 -7.417 -6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.645 -8.166 -5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.962 -5.672 -3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.191 -7.300 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.138 -5.931 -2.354 1.00 0.00 H new ATOM 1015 N ASP A 69 7.108 -9.348 -2.135 1.00 0.00 N ATOM 1016 CA ASP A 69 6.505 -10.619 -1.742 1.00 0.00 C ATOM 1017 C ASP A 69 5.099 -10.403 -1.187 1.00 0.00 C ATOM 1018 O ASP A 69 4.237 -11.276 -1.290 1.00 0.00 O ATOM 1019 CB ASP A 69 7.359 -11.311 -0.677 1.00 0.00 C ATOM 1020 CG ASP A 69 8.731 -11.638 -1.257 1.00 0.00 C ATOM 1021 OD1 ASP A 69 9.564 -10.748 -1.298 1.00 0.00 O ATOM 1022 OD2 ASP A 69 8.929 -12.776 -1.652 1.00 0.00 O ATOM 0 H ASP A 69 7.479 -8.794 -1.363 1.00 0.00 H new ATOM 0 HA ASP A 69 6.449 -11.248 -2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.466 -10.665 0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.868 -12.224 -0.339 1.00 0.00 H new ATOM 1027 N THR A 70 4.876 -9.232 -0.594 1.00 0.00 N ATOM 1028 CA THR A 70 3.568 -8.919 -0.020 1.00 0.00 C ATOM 1029 C THR A 70 2.815 -7.914 -0.902 1.00 0.00 C ATOM 1030 O THR A 70 3.433 -7.105 -1.595 1.00 0.00 O ATOM 1031 CB THR A 70 3.727 -8.329 1.386 1.00 0.00 C ATOM 1032 OG1 THR A 70 5.001 -7.709 1.498 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.608 -9.444 2.427 1.00 0.00 C ATOM 0 H THR A 70 5.573 -8.493 -0.499 1.00 0.00 H new ATOM 0 HA THR A 70 2.998 -9.846 0.036 1.00 0.00 H new ATOM 0 HB THR A 70 2.946 -7.589 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.078 -7.275 2.373 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.721 -9.023 3.426 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.630 -9.918 2.342 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.388 -10.186 2.256 1.00 0.00 H new ATOM 1041 N PRO A 71 1.469 -7.947 -0.883 1.00 0.00 N ATOM 1042 CA PRO A 71 0.651 -7.020 -1.691 1.00 0.00 C ATOM 1043 C PRO A 71 0.502 -5.655 -1.029 1.00 0.00 C ATOM 1044 O PRO A 71 0.583 -4.616 -1.683 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.690 -7.737 -1.751 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.757 -8.654 -0.537 1.00 0.00 C ATOM 1047 CD PRO A 71 0.680 -8.897 -0.066 1.00 0.00 C ATOM 0 HA PRO A 71 1.091 -6.810 -2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.512 -7.021 -1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.780 -8.311 -2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.349 -8.198 0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.241 -9.596 -0.794 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.793 -8.701 1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.990 -9.928 -0.235 1.00 0.00 H new ATOM 1055 N ARG A 72 0.292 -5.673 0.283 1.00 0.00 N ATOM 1056 CA ARG A 72 0.144 -4.432 1.037 1.00 0.00 C ATOM 1057 C ARG A 72 1.463 -3.656 1.090 1.00 0.00 C ATOM 1058 O ARG A 72 1.489 -2.496 1.497 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.314 -4.725 2.466 1.00 0.00 C ATOM 1060 CG ARG A 72 -0.947 -3.469 3.067 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.113 -3.866 3.976 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.035 -2.748 4.148 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.309 -2.956 4.468 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -4.639 -3.208 5.705 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -5.230 -2.908 3.543 1.00 0.00 N ATOM 0 H ARG A 72 0.221 -6.523 0.842 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.605 -3.828 0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.033 -5.544 2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.534 -5.044 3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.203 -2.911 3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.300 -2.811 2.272 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.642 -4.717 3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.732 -4.183 4.947 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.698 -1.794 4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.920 -3.246 6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.616 -3.367 5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.972 -2.711 2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.207 -3.067 3.788 1.00 0.00 H new ATOM 1079 N GLU A 73 2.562 -4.300 0.685 1.00 0.00 N ATOM 1080 CA GLU A 73 3.863 -3.641 0.703 1.00 0.00 C ATOM 1081 C GLU A 73 3.958 -2.606 -0.415 1.00 0.00 C ATOM 1082 O GLU A 73 4.394 -1.479 -0.193 1.00 0.00 O ATOM 1083 CB GLU A 73 4.984 -4.667 0.525 1.00 0.00 C ATOM 1084 CG GLU A 73 6.333 -4.003 0.811 1.00 0.00 C ATOM 1085 CD GLU A 73 6.620 -4.055 2.307 1.00 0.00 C ATOM 1086 OE1 GLU A 73 6.170 -3.163 3.007 1.00 0.00 O ATOM 1087 OE2 GLU A 73 7.284 -4.986 2.731 1.00 0.00 O ATOM 0 H GLU A 73 2.574 -5.262 0.346 1.00 0.00 H new ATOM 0 HA GLU A 73 3.972 -3.144 1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.831 -5.509 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.970 -5.064 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.124 -4.512 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.321 -2.968 0.468 1.00 0.00 H new ATOM 1094 N LEU A 74 3.553 -3.003 -1.622 1.00 0.00 N ATOM 1095 CA LEU A 74 3.613 -2.094 -2.766 1.00 0.00 C ATOM 1096 C LEU A 74 2.616 -0.946 -2.599 1.00 0.00 C ATOM 1097 O LEU A 74 2.885 0.190 -3.003 1.00 0.00 O ATOM 1098 CB LEU A 74 3.361 -2.835 -4.094 1.00 0.00 C ATOM 1099 CG LEU A 74 1.983 -3.519 -4.109 1.00 0.00 C ATOM 1100 CD1 LEU A 74 1.315 -3.294 -5.469 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.152 -5.025 -3.892 1.00 0.00 C ATOM 0 H LEU A 74 3.186 -3.932 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 74 4.621 -1.680 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.427 -2.130 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.140 -3.582 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 74 1.368 -3.096 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.339 -3.779 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.191 -2.225 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.939 -3.718 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.174 -5.506 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.770 -5.440 -4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.633 -5.202 -2.930 1.00 0.00 H new ATOM 1113 N LEU A 75 1.471 -1.238 -1.979 1.00 0.00 N ATOM 1114 CA LEU A 75 0.461 -0.206 -1.748 1.00 0.00 C ATOM 1115 C LEU A 75 1.035 0.875 -0.839 1.00 0.00 C ATOM 1116 O LEU A 75 1.061 2.045 -1.195 1.00 0.00 O ATOM 1117 CB LEU A 75 -0.798 -0.810 -1.097 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.847 0.283 -0.819 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.584 0.645 -2.111 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.851 -0.229 0.215 1.00 0.00 C ATOM 0 H LEU A 75 1.223 -2.165 -1.633 1.00 0.00 H new ATOM 0 HA LEU A 75 0.182 0.228 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.223 -1.570 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.528 -1.307 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.345 1.171 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.323 1.419 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.869 1.014 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.085 -0.240 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.595 0.543 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.347 -1.120 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.328 -0.475 1.139 1.00 0.00 H new ATOM 1132 N ASP A 76 1.481 0.464 0.343 1.00 0.00 N ATOM 1133 CA ASP A 76 2.045 1.402 1.311 1.00 0.00 C ATOM 1134 C ASP A 76 3.337 2.035 0.791 1.00 0.00 C ATOM 1135 O ASP A 76 3.768 3.075 1.287 1.00 0.00 O ATOM 1136 CB ASP A 76 2.341 0.691 2.634 1.00 0.00 C ATOM 1137 CG ASP A 76 2.646 1.725 3.712 1.00 0.00 C ATOM 1138 OD1 ASP A 76 1.782 2.542 3.981 1.00 0.00 O ATOM 1139 OD2 ASP A 76 3.739 1.684 4.252 1.00 0.00 O ATOM 0 H ASP A 76 1.464 -0.507 0.654 1.00 0.00 H new ATOM 0 HA ASP A 76 1.306 2.187 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.487 0.082 2.931 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.188 0.015 2.514 1.00 0.00 H new ATOM 1144 N LEU A 77 3.959 1.403 -0.205 1.00 0.00 N ATOM 1145 CA LEU A 77 5.201 1.932 -0.762 1.00 0.00 C ATOM 1146 C LEU A 77 4.943 3.251 -1.487 1.00 0.00 C ATOM 1147 O LEU A 77 5.533 4.282 -1.159 1.00 0.00 O ATOM 1148 CB LEU A 77 5.818 0.937 -1.747 1.00 0.00 C ATOM 1149 CG LEU A 77 7.330 1.154 -1.811 1.00 0.00 C ATOM 1150 CD1 LEU A 77 8.003 0.402 -0.662 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.864 0.629 -3.146 1.00 0.00 C ATOM 0 H LEU A 77 3.629 0.539 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 77 5.892 2.099 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.599 -0.084 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.379 1.068 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 77 7.548 2.218 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.081 0.557 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.623 0.775 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.785 -0.663 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.942 0.783 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.646 -0.435 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.385 1.165 -3.965 1.00 0.00 H new ATOM 1163 N ILE A 78 4.054 3.206 -2.475 1.00 0.00 N ATOM 1164 CA ILE A 78 3.723 4.408 -3.242 1.00 0.00 C ATOM 1165 C ILE A 78 3.009 5.426 -2.351 1.00 0.00 C ATOM 1166 O ILE A 78 3.213 6.634 -2.464 1.00 0.00 O ATOM 1167 CB ILE A 78 2.812 4.046 -4.421 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.491 2.975 -5.278 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.548 5.286 -5.276 1.00 0.00 C ATOM 1170 CD1 ILE A 78 2.429 2.196 -6.056 1.00 0.00 C ATOM 0 H ILE A 78 3.555 2.364 -2.762 1.00 0.00 H new ATOM 0 HA ILE A 78 4.650 4.843 -3.617 1.00 0.00 H new ATOM 0 HB ILE A 78 1.865 3.666 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.196 3.439 -5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.064 2.297 -4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.900 5.021 -6.111 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.063 6.050 -4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.493 5.672 -5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.912 1.433 -6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.742 1.720 -5.357 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.875 2.879 -6.700 1.00 0.00 H new ATOM 1182 N ASN A 79 2.161 4.906 -1.478 1.00 0.00 N ATOM 1183 CA ASN A 79 1.385 5.736 -0.559 1.00 0.00 C ATOM 1184 C ASN A 79 2.304 6.539 0.362 1.00 0.00 C ATOM 1185 O ASN A 79 1.966 7.643 0.789 1.00 0.00 O ATOM 1186 CB ASN A 79 0.478 4.841 0.298 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.896 5.479 0.462 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -1.034 6.702 0.419 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -1.934 4.707 0.644 1.00 0.00 N ATOM 0 H ASN A 79 1.989 3.905 -1.383 1.00 0.00 H new ATOM 0 HA ASN A 79 0.785 6.429 -1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.378 3.861 -0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.932 4.683 1.276 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.862 5.117 0.751 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.817 3.694 0.679 1.00 0.00 H new ATOM 1196 N GLY A 80 3.461 5.963 0.674 1.00 0.00 N ATOM 1197 CA GLY A 80 4.417 6.623 1.560 1.00 0.00 C ATOM 1198 C GLY A 80 5.180 7.726 0.835 1.00 0.00 C ATOM 1199 O GLY A 80 5.153 8.889 1.238 1.00 0.00 O ATOM 0 H GLY A 80 3.758 5.050 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.890 7.045 2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.121 5.888 1.950 1.00 0.00 H new ATOM 1203 N ALA A 81 5.870 7.348 -0.238 1.00 0.00 N ATOM 1204 CA ALA A 81 6.650 8.313 -1.014 1.00 0.00 C ATOM 1205 C ALA A 81 5.776 9.466 -1.513 1.00 0.00 C ATOM 1206 O ALA A 81 6.275 10.550 -1.815 1.00 0.00 O ATOM 1207 CB ALA A 81 7.302 7.627 -2.215 1.00 0.00 C ATOM 0 H ALA A 81 5.906 6.391 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 81 7.419 8.715 -0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.879 8.357 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.964 6.834 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.529 7.200 -2.854 1.00 0.00 H new ATOM 1213 N LEU A 82 4.466 9.227 -1.597 1.00 0.00 N ATOM 1214 CA LEU A 82 3.544 10.260 -2.063 1.00 0.00 C ATOM 1215 C LEU A 82 3.061 11.111 -0.893 1.00 0.00 C ATOM 1216 O LEU A 82 2.817 12.310 -1.035 1.00 0.00 O ATOM 1217 CB LEU A 82 2.330 9.628 -2.748 1.00 0.00 C ATOM 1218 CG LEU A 82 2.713 9.182 -4.158 1.00 0.00 C ATOM 1219 CD1 LEU A 82 1.551 8.411 -4.784 1.00 0.00 C ATOM 1220 CD2 LEU A 82 3.027 10.412 -5.013 1.00 0.00 C ATOM 0 H LEU A 82 4.026 8.340 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 82 4.079 10.888 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.976 8.775 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.510 10.345 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 82 3.591 8.538 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.825 8.093 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.326 7.535 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.672 9.054 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.301 10.095 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.149 11.055 -5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.856 10.962 -4.568 1.00 0.00 H new ATOM 1232 N ALA A 83 2.922 10.476 0.267 1.00 0.00 N ATOM 1233 CA ALA A 83 2.464 11.181 1.462 1.00 0.00 C ATOM 1234 C ALA A 83 3.439 12.292 1.838 1.00 0.00 C ATOM 1235 O ALA A 83 3.046 13.325 2.379 1.00 0.00 O ATOM 1236 CB ALA A 83 2.337 10.212 2.638 1.00 0.00 C ATOM 0 H ALA A 83 3.117 9.485 0.406 1.00 0.00 H new ATOM 0 HA ALA A 83 1.489 11.616 1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.995 10.753 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.618 9.431 2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.307 9.760 2.843 1.00 0.00 H new ATOM 1242 N GLU A 84 4.717 12.067 1.548 1.00 0.00 N ATOM 1243 CA GLU A 84 5.746 13.054 1.864 1.00 0.00 C ATOM 1244 C GLU A 84 5.482 14.360 1.119 1.00 0.00 C ATOM 1245 O GLU A 84 5.668 15.449 1.662 1.00 0.00 O ATOM 1246 CB GLU A 84 7.128 12.530 1.474 1.00 0.00 C ATOM 1247 CG GLU A 84 8.203 13.302 2.242 1.00 0.00 C ATOM 1248 CD GLU A 84 9.447 13.445 1.373 1.00 0.00 C ATOM 1249 OE1 GLU A 84 10.182 12.477 1.261 1.00 0.00 O ATOM 1250 OE2 GLU A 84 9.647 14.520 0.832 1.00 0.00 O ATOM 0 H GLU A 84 5.063 11.219 1.099 1.00 0.00 H new ATOM 0 HA GLU A 84 5.716 13.237 2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.201 11.465 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.282 12.642 0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.828 14.286 2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.450 12.780 3.166 1.00 0.00 H new ATOM 1257 N ALA A 85 5.045 14.237 -0.130 1.00 0.00 N ATOM 1258 CA ALA A 85 4.755 15.414 -0.944 1.00 0.00 C ATOM 1259 C ALA A 85 3.536 16.152 -0.400 1.00 0.00 C ATOM 1260 O ALA A 85 3.643 17.270 0.102 1.00 0.00 O ATOM 1261 CB ALA A 85 4.489 15.010 -2.395 1.00 0.00 C ATOM 0 H ALA A 85 4.885 13.345 -0.598 1.00 0.00 H new ATOM 0 HA ALA A 85 5.623 16.072 -0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.275 15.900 -2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.368 14.508 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.635 14.334 -2.434 1.00 0.00 H new ATOM 1267 N ALA A 86 2.376 15.511 -0.506 1.00 0.00 N ATOM 1268 CA ALA A 86 1.137 16.113 -0.021 1.00 0.00 C ATOM 1269 C ALA A 86 1.005 15.921 1.486 1.00 0.00 C ATOM 1270 O ALA A 86 2.002 15.603 2.113 1.00 0.00 O ATOM 1271 CB ALA A 86 -0.072 15.481 -0.713 1.00 0.00 C ATOM 1272 OXT ALA A 86 -0.093 16.093 1.992 1.00 0.00 O ATOM 0 H ALA A 86 2.267 14.585 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 86 1.169 17.178 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.987 15.941 -0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.001 15.639 -1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.093 14.411 -0.504 1.00 0.00 H new