USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 655 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 14 SER OG : rot -77:sc= -0.632 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -3.72 K(o=-4.4,f=-2.3!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 26:sc= 0.587 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= -1.32 (180deg=-1.58) USER MOD Single : A 52 GLN : amide:sc= -2.12 K(o=-2.1,f=-1.5) USER MOD Single : A 54 CYS SG : rot -170:sc= -0.746 USER MOD Single : A 65 HIS : no HD1:sc= -3.48! C(o=-3.5!,f=-5.1!) USER MOD Single : A 67 ASN : amide:sc= -9.12! C(o=-9.1!,f=-10!) USER MOD Single : A 70 SER OG : rot 38:sc= 0.734 USER MOD Single : A 71 THR OG1 : rot -33:sc= 1.02 USER MOD Single : A 72 GLN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00228 USER MOD Single : A 76 HIS : no HD1:sc= -1.27! K(o=-1.3!,f=-0.46) USER MOD Single : A 78 GLN : amide:sc= -0.0971 K(o=-0.097,f=-3.3!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 111 N HIS A 12 -4.028 -11.161 -3.931 1.00 0.00 N ATOM 112 CA HIS A 12 -3.914 -9.814 -3.383 1.00 0.00 C ATOM 113 C HIS A 12 -4.884 -9.616 -2.222 1.00 0.00 C ATOM 114 O HIS A 12 -5.917 -10.281 -2.143 1.00 0.00 O ATOM 115 CB HIS A 12 -4.184 -8.775 -4.472 1.00 0.00 C ATOM 116 CG HIS A 12 -3.773 -9.220 -5.841 1.00 0.00 C ATOM 117 ND1 HIS A 12 -4.662 -9.354 -6.887 1.00 0.00 N ATOM 118 CD2 HIS A 12 -2.560 -9.563 -6.334 1.00 0.00 C ATOM 119 CE1 HIS A 12 -4.013 -9.760 -7.964 1.00 0.00 C ATOM 120 NE2 HIS A 12 -2.736 -9.895 -7.655 1.00 0.00 N ATOM 0 HA HIS A 12 -2.898 -9.684 -3.010 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.248 -8.538 -4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.654 -7.855 -4.224 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.627 -9.574 -5.790 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.452 -9.949 -8.932 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -2.000 -10.197 -8.294 1.00 0.00 H new ATOM 129 N PHE A 13 -4.544 -8.698 -1.324 1.00 0.00 N ATOM 130 CA PHE A 13 -5.383 -8.414 -0.166 1.00 0.00 C ATOM 131 C PHE A 13 -5.243 -6.956 0.263 1.00 0.00 C ATOM 132 O PHE A 13 -4.337 -6.251 -0.183 1.00 0.00 O ATOM 133 CB PHE A 13 -5.014 -9.337 0.997 1.00 0.00 C ATOM 134 CG PHE A 13 -3.621 -9.121 1.515 1.00 0.00 C ATOM 135 CD1 PHE A 13 -3.360 -8.135 2.452 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.571 -9.906 1.064 1.00 0.00 C ATOM 137 CE1 PHE A 13 -2.079 -7.934 2.929 1.00 0.00 C ATOM 138 CE2 PHE A 13 -1.288 -9.710 1.537 1.00 0.00 C ATOM 139 CZ PHE A 13 -1.041 -8.724 2.472 1.00 0.00 C ATOM 0 H PHE A 13 -3.693 -8.138 -1.376 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.420 -8.594 -0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.723 -9.185 1.811 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.117 -10.373 0.675 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.167 -7.516 2.814 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.758 -10.680 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.889 -7.160 3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.479 -10.327 1.176 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.039 -8.571 2.845 1.00 0.00 H new ATOM 149 N SER A 14 -6.146 -6.511 1.130 1.00 0.00 N ATOM 150 CA SER A 14 -6.127 -5.136 1.616 1.00 0.00 C ATOM 151 C SER A 14 -5.903 -5.097 3.125 1.00 0.00 C ATOM 152 O SER A 14 -6.058 -6.105 3.814 1.00 0.00 O ATOM 153 CB SER A 14 -7.438 -4.430 1.265 1.00 0.00 C ATOM 154 OG SER A 14 -7.698 -4.500 -0.126 1.00 0.00 O ATOM 0 H SER A 14 -6.900 -7.082 1.511 1.00 0.00 H new ATOM 0 HA SER A 14 -5.302 -4.616 1.130 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.260 -4.888 1.815 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.388 -3.387 1.577 1.00 0.00 H new ATOM 0 HG SER A 14 -7.135 -3.851 -0.597 1.00 0.00 H new ATOM 160 N VAL A 15 -5.536 -3.924 3.632 1.00 0.00 N ATOM 161 CA VAL A 15 -5.291 -3.751 5.059 1.00 0.00 C ATOM 162 C VAL A 15 -6.251 -2.731 5.661 1.00 0.00 C ATOM 163 O VAL A 15 -6.430 -1.639 5.124 1.00 0.00 O ATOM 164 CB VAL A 15 -3.844 -3.298 5.329 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.653 -2.968 6.801 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.859 -4.368 4.882 1.00 0.00 C ATOM 0 H VAL A 15 -5.402 -3.080 3.076 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.454 -4.721 5.528 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.651 -2.394 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.625 -2.650 6.972 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.333 -2.165 7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.864 -3.852 7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.841 -4.031 5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.050 -5.290 5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.979 -4.550 3.814 1.00 0.00 H new ATOM 176 N GLU A 16 -6.867 -3.097 6.782 1.00 0.00 N ATOM 177 CA GLU A 16 -7.810 -2.213 7.457 1.00 0.00 C ATOM 178 C GLU A 16 -7.306 -1.843 8.850 1.00 0.00 C ATOM 179 O GLU A 16 -7.181 -2.700 9.726 1.00 0.00 O ATOM 180 CB GLU A 16 -9.183 -2.880 7.561 1.00 0.00 C ATOM 181 CG GLU A 16 -10.267 -1.960 8.097 1.00 0.00 C ATOM 182 CD GLU A 16 -11.561 -2.694 8.393 1.00 0.00 C ATOM 183 OE1 GLU A 16 -11.535 -3.632 9.217 1.00 0.00 O ATOM 184 OE2 GLU A 16 -12.598 -2.331 7.801 1.00 0.00 O ATOM 0 H GLU A 16 -6.730 -3.998 7.240 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.901 -1.301 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.478 -3.240 6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.106 -3.753 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.911 -1.477 9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.460 -1.170 7.371 1.00 0.00 H new ATOM 191 N LEU A 17 -7.018 -0.561 9.046 1.00 0.00 N ATOM 192 CA LEU A 17 -6.527 -0.075 10.331 1.00 0.00 C ATOM 193 C LEU A 17 -7.288 1.173 10.768 1.00 0.00 C ATOM 194 O LEU A 17 -7.894 1.862 9.948 1.00 0.00 O ATOM 195 CB LEU A 17 -5.031 0.229 10.246 1.00 0.00 C ATOM 196 CG LEU A 17 -4.115 -0.969 9.992 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.714 -0.503 9.629 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.077 -1.879 11.210 1.00 0.00 C ATOM 0 H LEU A 17 -7.116 0.161 8.332 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.690 -0.856 11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.873 0.956 9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.724 0.704 11.178 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.516 -1.536 9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.077 -1.369 9.452 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.756 0.107 8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.304 0.088 10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.420 -2.726 11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.701 -1.322 12.068 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.082 -2.242 11.425 1.00 0.00 H new ATOM 210 N VAL A 18 -7.249 1.459 12.066 1.00 0.00 N ATOM 211 CA VAL A 18 -7.932 2.626 12.612 1.00 0.00 C ATOM 212 C VAL A 18 -6.933 3.660 13.119 1.00 0.00 C ATOM 213 O VAL A 18 -6.121 3.373 13.999 1.00 0.00 O ATOM 214 CB VAL A 18 -8.879 2.235 13.762 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.525 3.473 14.365 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.935 1.256 13.273 1.00 0.00 C ATOM 0 H VAL A 18 -6.752 0.899 12.758 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.518 3.059 11.801 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.295 1.744 14.540 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.191 3.178 15.176 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.751 4.135 14.754 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.097 3.995 13.598 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.595 0.991 14.099 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.518 1.718 12.476 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.450 0.357 12.893 1.00 0.00 H new ATOM 226 N ARG A 19 -6.998 4.863 12.558 1.00 0.00 N ATOM 227 CA ARG A 19 -6.098 5.940 12.953 1.00 0.00 C ATOM 228 C ARG A 19 -5.892 5.949 14.465 1.00 0.00 C ATOM 229 O ARG A 19 -6.853 6.003 15.232 1.00 0.00 O ATOM 230 CB ARG A 19 -6.652 7.290 12.495 1.00 0.00 C ATOM 231 CG ARG A 19 -5.576 8.319 12.194 1.00 0.00 C ATOM 232 CD ARG A 19 -6.151 9.535 11.483 1.00 0.00 C ATOM 233 NE ARG A 19 -5.247 10.681 11.541 1.00 0.00 N ATOM 234 CZ ARG A 19 -5.144 11.482 12.596 1.00 0.00 C ATOM 235 NH1 ARG A 19 -5.884 11.263 13.674 1.00 0.00 N ATOM 236 NH2 ARG A 19 -4.299 12.505 12.573 1.00 0.00 N ATOM 0 H ARG A 19 -7.664 5.116 11.829 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.134 5.769 12.473 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.259 7.140 11.602 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.313 7.683 13.268 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.099 8.631 13.123 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.801 7.867 11.575 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.352 9.284 10.441 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.105 9.803 11.937 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.663 10.877 10.728 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.535 10.478 13.695 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.803 11.880 14.482 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.728 12.677 11.745 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.220 13.120 13.383 1.00 0.00 H new ATOM 250 N GLY A 20 -4.632 5.896 14.886 1.00 0.00 N ATOM 251 CA GLY A 20 -4.323 5.898 16.304 1.00 0.00 C ATOM 252 C GLY A 20 -3.869 7.258 16.796 1.00 0.00 C ATOM 253 O GLY A 20 -4.627 8.227 16.750 1.00 0.00 O ATOM 0 H GLY A 20 -3.820 5.852 14.270 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.204 5.588 16.865 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.543 5.164 16.504 1.00 0.00 H new ATOM 257 N TYR A 21 -2.630 7.331 17.269 1.00 0.00 N ATOM 258 CA TYR A 21 -2.077 8.581 17.776 1.00 0.00 C ATOM 259 C TYR A 21 -1.736 9.530 16.631 1.00 0.00 C ATOM 260 O TYR A 21 -0.574 9.669 16.251 1.00 0.00 O ATOM 261 CB TYR A 21 -0.828 8.308 18.616 1.00 0.00 C ATOM 262 CG TYR A 21 -0.538 9.384 19.637 1.00 0.00 C ATOM 263 CD1 TYR A 21 -1.116 9.344 20.900 1.00 0.00 C ATOM 264 CD2 TYR A 21 0.313 10.441 19.339 1.00 0.00 C ATOM 265 CE1 TYR A 21 -0.854 10.326 21.837 1.00 0.00 C ATOM 266 CE2 TYR A 21 0.581 11.426 20.270 1.00 0.00 C ATOM 267 CZ TYR A 21 -0.004 11.364 21.517 1.00 0.00 C ATOM 268 OH TYR A 21 0.259 12.345 22.446 1.00 0.00 O ATOM 0 H TYR A 21 -1.989 6.539 17.312 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.832 9.054 18.404 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.947 7.354 19.130 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.031 8.207 17.953 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.781 8.532 21.154 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.773 10.494 18.363 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.312 10.281 22.814 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.245 12.241 20.022 1.00 0.00 H new ATOM 0 HH TYR A 21 0.877 13.001 22.062 1.00 0.00 H new ATOM 278 N ALA A 22 -2.759 10.179 16.085 1.00 0.00 N ATOM 279 CA ALA A 22 -2.569 11.117 14.985 1.00 0.00 C ATOM 280 C ALA A 22 -1.691 10.513 13.894 1.00 0.00 C ATOM 281 O ALA A 22 -0.764 11.156 13.403 1.00 0.00 O ATOM 282 CB ALA A 22 -1.961 12.414 15.497 1.00 0.00 C ATOM 0 H ALA A 22 -3.728 10.073 16.386 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.545 11.333 14.551 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.825 13.105 14.665 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.627 12.861 16.235 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.995 12.206 15.958 1.00 0.00 H new ATOM 288 N GLY A 23 -1.989 9.272 13.521 1.00 0.00 N ATOM 289 CA GLY A 23 -1.216 8.602 12.491 1.00 0.00 C ATOM 290 C GLY A 23 -1.332 7.093 12.569 1.00 0.00 C ATOM 291 O GLY A 23 -1.889 6.554 13.526 1.00 0.00 O ATOM 0 H GLY A 23 -2.751 8.719 13.913 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.553 8.939 11.511 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.168 8.888 12.583 1.00 0.00 H new ATOM 295 N PHE A 24 -0.806 6.407 11.559 1.00 0.00 N ATOM 296 CA PHE A 24 -0.856 4.951 11.516 1.00 0.00 C ATOM 297 C PHE A 24 0.463 4.347 11.990 1.00 0.00 C ATOM 298 O PHE A 24 0.492 3.248 12.541 1.00 0.00 O ATOM 299 CB PHE A 24 -1.167 4.472 10.096 1.00 0.00 C ATOM 300 CG PHE A 24 -2.600 4.678 9.695 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.579 3.778 10.084 1.00 0.00 C ATOM 302 CD2 PHE A 24 -2.968 5.772 8.928 1.00 0.00 C ATOM 303 CE1 PHE A 24 -4.898 3.965 9.717 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.286 5.964 8.558 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.252 5.059 8.952 1.00 0.00 C ATOM 0 H PHE A 24 -0.340 6.837 10.760 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.649 4.620 12.186 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.522 5.000 9.394 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.925 3.412 10.017 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.308 2.920 10.681 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.217 6.482 8.616 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.651 3.256 10.028 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.560 6.821 7.961 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.282 5.206 8.663 1.00 0.00 H new ATOM 315 N GLY A 25 1.553 5.076 11.771 1.00 0.00 N ATOM 316 CA GLY A 25 2.860 4.597 12.180 1.00 0.00 C ATOM 317 C GLY A 25 3.501 3.700 11.141 1.00 0.00 C ATOM 318 O GLY A 25 4.296 2.820 11.474 1.00 0.00 O ATOM 0 H GLY A 25 1.554 5.990 11.318 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.512 5.449 12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.766 4.051 13.118 1.00 0.00 H new ATOM 322 N LEU A 26 3.155 3.920 9.877 1.00 0.00 N ATOM 323 CA LEU A 26 3.702 3.123 8.784 1.00 0.00 C ATOM 324 C LEU A 26 4.610 3.967 7.896 1.00 0.00 C ATOM 325 O LEU A 26 4.244 5.067 7.479 1.00 0.00 O ATOM 326 CB LEU A 26 2.569 2.523 7.949 1.00 0.00 C ATOM 327 CG LEU A 26 2.976 1.449 6.939 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.356 0.161 7.653 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.852 1.198 5.945 1.00 0.00 C ATOM 0 H LEU A 26 2.498 4.643 9.584 1.00 0.00 H new ATOM 0 HA LEU A 26 4.295 2.317 9.216 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.832 2.094 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.074 3.331 7.410 1.00 0.00 H new ATOM 0 HG LEU A 26 3.847 1.806 6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.643 -0.591 6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.194 0.351 8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.504 -0.201 8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.159 0.431 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.963 0.863 6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.627 2.120 5.409 1.00 0.00 H new ATOM 341 N THR A 27 5.799 3.445 7.608 1.00 0.00 N ATOM 342 CA THR A 27 6.760 4.149 6.769 1.00 0.00 C ATOM 343 C THR A 27 7.168 3.301 5.570 1.00 0.00 C ATOM 344 O THR A 27 7.654 2.180 5.726 1.00 0.00 O ATOM 345 CB THR A 27 8.022 4.536 7.563 1.00 0.00 C ATOM 346 OG1 THR A 27 7.662 4.928 8.893 1.00 0.00 O ATOM 347 CG2 THR A 27 8.765 5.672 6.877 1.00 0.00 C ATOM 0 H THR A 27 6.119 2.537 7.944 1.00 0.00 H new ATOM 0 HA THR A 27 6.268 5.056 6.418 1.00 0.00 H new ATOM 0 HB THR A 27 8.679 3.667 7.606 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.470 5.171 9.392 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.652 5.928 7.456 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.062 5.360 5.876 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.114 6.543 6.807 1.00 0.00 H new ATOM 355 N LEU A 28 6.969 3.842 4.373 1.00 0.00 N ATOM 356 CA LEU A 28 7.318 3.134 3.146 1.00 0.00 C ATOM 357 C LEU A 28 8.751 3.447 2.726 1.00 0.00 C ATOM 358 O LEU A 28 9.170 4.603 2.725 1.00 0.00 O ATOM 359 CB LEU A 28 6.351 3.513 2.023 1.00 0.00 C ATOM 360 CG LEU A 28 5.100 2.644 1.892 1.00 0.00 C ATOM 361 CD1 LEU A 28 3.997 3.401 1.169 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.425 1.347 1.165 1.00 0.00 C ATOM 0 H LEU A 28 6.568 4.768 4.226 1.00 0.00 H new ATOM 0 HA LEU A 28 7.241 2.064 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.037 4.546 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.893 3.480 1.078 1.00 0.00 H new ATOM 0 HG LEU A 28 4.746 2.397 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.115 2.766 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.745 4.301 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.340 3.679 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.523 0.741 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.804 1.574 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.181 0.796 1.724 1.00 0.00 H new ATOM 374 N GLY A 29 9.497 2.406 2.366 1.00 0.00 N ATOM 375 CA GLY A 29 10.873 2.591 1.946 1.00 0.00 C ATOM 376 C GLY A 29 11.062 2.363 0.460 1.00 0.00 C ATOM 377 O GLY A 29 10.471 1.450 -0.115 1.00 0.00 O ATOM 0 H GLY A 29 9.172 1.439 2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.194 3.602 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.514 1.905 2.500 1.00 0.00 H new ATOM 381 N GLY A 30 11.887 3.197 -0.165 1.00 0.00 N ATOM 382 CA GLY A 30 12.135 3.067 -1.589 1.00 0.00 C ATOM 383 C GLY A 30 11.073 3.749 -2.428 1.00 0.00 C ATOM 384 O GLY A 30 10.785 4.929 -2.238 1.00 0.00 O ATOM 0 H GLY A 30 12.388 3.960 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.110 3.494 -1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.178 2.010 -1.852 1.00 0.00 H new ATOM 388 N GLY A 31 10.488 3.003 -3.361 1.00 0.00 N ATOM 389 CA GLY A 31 9.459 3.560 -4.219 1.00 0.00 C ATOM 390 C GLY A 31 10.031 4.209 -5.464 1.00 0.00 C ATOM 391 O GLY A 31 11.226 4.093 -5.739 1.00 0.00 O ATOM 0 H GLY A 31 10.709 2.023 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.766 2.770 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.884 4.298 -3.660 1.00 0.00 H new ATOM 395 N ARG A 32 9.177 4.891 -6.220 1.00 0.00 N ATOM 396 CA ARG A 32 9.604 5.558 -7.444 1.00 0.00 C ATOM 397 C ARG A 32 10.083 6.977 -7.151 1.00 0.00 C ATOM 398 O ARG A 32 9.285 7.860 -6.838 1.00 0.00 O ATOM 399 CB ARG A 32 8.458 5.594 -8.456 1.00 0.00 C ATOM 400 CG ARG A 32 8.726 6.499 -9.648 1.00 0.00 C ATOM 401 CD ARG A 32 7.918 6.074 -10.863 1.00 0.00 C ATOM 402 NE ARG A 32 8.351 6.762 -12.077 1.00 0.00 N ATOM 403 CZ ARG A 32 7.720 6.664 -13.242 1.00 0.00 C ATOM 404 NH1 ARG A 32 6.634 5.912 -13.351 1.00 0.00 N ATOM 405 NH2 ARG A 32 8.175 7.321 -14.301 1.00 0.00 N ATOM 0 H ARG A 32 8.185 4.996 -6.006 1.00 0.00 H new ATOM 0 HA ARG A 32 10.435 4.992 -7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.269 4.582 -8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.551 5.929 -7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.479 7.528 -9.387 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.788 6.478 -9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.013 4.997 -11.003 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.862 6.280 -10.686 1.00 0.00 H new ATOM 0 HE ARG A 32 9.183 7.350 -12.027 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.280 5.406 -12.539 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.152 5.839 -14.247 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.010 7.902 -14.221 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.690 7.245 -15.195 1.00 0.00 H new ATOM 419 N ASP A 33 11.391 7.187 -7.255 1.00 0.00 N ATOM 420 CA ASP A 33 11.977 8.498 -7.002 1.00 0.00 C ATOM 421 C ASP A 33 12.724 9.006 -8.231 1.00 0.00 C ATOM 422 O ASP A 33 13.104 8.226 -9.106 1.00 0.00 O ATOM 423 CB ASP A 33 12.925 8.434 -5.804 1.00 0.00 C ATOM 424 CG ASP A 33 12.187 8.274 -4.489 1.00 0.00 C ATOM 425 OD1 ASP A 33 11.673 7.165 -4.228 1.00 0.00 O ATOM 426 OD2 ASP A 33 12.124 9.256 -3.721 1.00 0.00 O ATOM 0 H ASP A 33 12.065 6.466 -7.513 1.00 0.00 H new ATOM 0 HA ASP A 33 11.168 9.193 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.614 7.600 -5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.526 9.342 -5.771 1.00 0.00 H new ATOM 431 N VAL A 34 12.932 10.317 -8.292 1.00 0.00 N ATOM 432 CA VAL A 34 13.634 10.929 -9.414 1.00 0.00 C ATOM 433 C VAL A 34 14.960 10.226 -9.682 1.00 0.00 C ATOM 434 O VAL A 34 15.323 9.982 -10.832 1.00 0.00 O ATOM 435 CB VAL A 34 13.900 12.425 -9.161 1.00 0.00 C ATOM 436 CG1 VAL A 34 14.610 12.624 -7.831 1.00 0.00 C ATOM 437 CG2 VAL A 34 14.710 13.022 -10.302 1.00 0.00 C ATOM 0 H VAL A 34 12.624 10.976 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 34 12.988 10.825 -10.286 1.00 0.00 H new ATOM 0 HB VAL A 34 12.942 12.944 -9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.789 13.687 -7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.988 12.235 -7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 34 15.562 12.093 -7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.889 14.079 -10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.664 12.501 -10.382 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.158 12.914 -11.236 1.00 0.00 H new ATOM 447 N ALA A 35 15.678 9.903 -8.612 1.00 0.00 N ATOM 448 CA ALA A 35 16.963 9.225 -8.731 1.00 0.00 C ATOM 449 C ALA A 35 16.973 7.923 -7.937 1.00 0.00 C ATOM 450 O ALA A 35 18.034 7.392 -7.611 1.00 0.00 O ATOM 451 CB ALA A 35 18.087 10.139 -8.264 1.00 0.00 C ATOM 0 H ALA A 35 15.392 10.100 -7.653 1.00 0.00 H new ATOM 0 HA ALA A 35 17.121 8.980 -9.781 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.041 9.620 -8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.102 11.040 -8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 35 17.924 10.412 -7.221 1.00 0.00 H new ATOM 457 N GLY A 36 15.784 7.414 -7.629 1.00 0.00 N ATOM 458 CA GLY A 36 15.679 6.179 -6.875 1.00 0.00 C ATOM 459 C GLY A 36 14.448 5.376 -7.246 1.00 0.00 C ATOM 460 O GLY A 36 13.451 5.387 -6.524 1.00 0.00 O ATOM 0 H GLY A 36 14.892 7.835 -7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.569 5.574 -7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.652 6.408 -5.810 1.00 0.00 H new ATOM 464 N ASP A 37 14.516 4.679 -8.375 1.00 0.00 N ATOM 465 CA ASP A 37 13.398 3.867 -8.841 1.00 0.00 C ATOM 466 C ASP A 37 13.397 2.502 -8.161 1.00 0.00 C ATOM 467 O ASP A 37 14.328 1.713 -8.324 1.00 0.00 O ATOM 468 CB ASP A 37 13.463 3.694 -10.359 1.00 0.00 C ATOM 469 CG ASP A 37 14.736 3.005 -10.809 1.00 0.00 C ATOM 470 OD1 ASP A 37 15.758 3.701 -10.987 1.00 0.00 O ATOM 471 OD2 ASP A 37 14.711 1.769 -10.983 1.00 0.00 O ATOM 0 H ASP A 37 15.334 4.660 -8.984 1.00 0.00 H new ATOM 0 HA ASP A 37 12.474 4.383 -8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.602 3.115 -10.693 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.394 4.671 -10.836 1.00 0.00 H new ATOM 476 N THR A 38 12.345 2.228 -7.395 1.00 0.00 N ATOM 477 CA THR A 38 12.223 0.960 -6.688 1.00 0.00 C ATOM 478 C THR A 38 10.781 0.700 -6.268 1.00 0.00 C ATOM 479 O THR A 38 9.997 1.624 -6.049 1.00 0.00 O ATOM 480 CB THR A 38 13.124 0.924 -5.439 1.00 0.00 C ATOM 481 OG1 THR A 38 13.216 2.232 -4.864 1.00 0.00 O ATOM 482 CG2 THR A 38 14.515 0.419 -5.790 1.00 0.00 C ATOM 0 H THR A 38 11.565 2.869 -7.249 1.00 0.00 H new ATOM 0 HA THR A 38 12.542 0.181 -7.380 1.00 0.00 H new ATOM 0 HB THR A 38 12.679 0.241 -4.716 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.415 2.747 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.133 0.402 -4.892 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.444 -0.588 -6.200 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.966 1.081 -6.529 1.00 0.00 H new ATOM 490 N PRO A 39 10.420 -0.586 -6.152 1.00 0.00 N ATOM 491 CA PRO A 39 9.069 -0.997 -5.756 1.00 0.00 C ATOM 492 C PRO A 39 8.772 -0.680 -4.294 1.00 0.00 C ATOM 493 O PRO A 39 9.467 -1.150 -3.393 1.00 0.00 O ATOM 494 CB PRO A 39 9.077 -2.510 -5.984 1.00 0.00 C ATOM 495 CG PRO A 39 10.510 -2.903 -5.869 1.00 0.00 C ATOM 496 CD PRO A 39 11.302 -1.739 -6.398 1.00 0.00 C ATOM 0 HA PRO A 39 8.301 -0.471 -6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.465 -3.025 -5.244 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.674 -2.765 -6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.774 -3.116 -4.833 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.714 -3.807 -6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.255 -1.633 -5.880 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.526 -1.854 -7.458 1.00 0.00 H new ATOM 504 N LEU A 40 7.736 0.120 -4.066 1.00 0.00 N ATOM 505 CA LEU A 40 7.347 0.500 -2.713 1.00 0.00 C ATOM 506 C LEU A 40 7.182 -0.731 -1.827 1.00 0.00 C ATOM 507 O LEU A 40 6.573 -1.721 -2.231 1.00 0.00 O ATOM 508 CB LEU A 40 6.043 1.299 -2.741 1.00 0.00 C ATOM 509 CG LEU A 40 6.187 2.813 -2.901 1.00 0.00 C ATOM 510 CD1 LEU A 40 4.839 3.449 -3.201 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.800 3.425 -1.650 1.00 0.00 C ATOM 0 H LEU A 40 7.151 0.518 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 40 8.139 1.122 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.428 0.924 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.499 1.101 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 40 6.853 3.008 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.962 4.526 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.438 3.033 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.150 3.244 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.895 4.503 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.159 3.219 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.785 2.992 -1.479 1.00 0.00 H new ATOM 523 N ALA A 41 7.729 -0.661 -0.618 1.00 0.00 N ATOM 524 CA ALA A 41 7.639 -1.769 0.326 1.00 0.00 C ATOM 525 C ALA A 41 7.858 -1.289 1.757 1.00 0.00 C ATOM 526 O ALA A 41 8.805 -0.555 2.038 1.00 0.00 O ATOM 527 CB ALA A 41 8.648 -2.850 -0.031 1.00 0.00 C ATOM 0 H ALA A 41 8.239 0.151 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 41 6.635 -2.189 0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.570 -3.671 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.444 -3.221 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.655 -2.434 0.004 1.00 0.00 H new ATOM 533 N VAL A 42 6.976 -1.709 2.658 1.00 0.00 N ATOM 534 CA VAL A 42 7.074 -1.323 4.061 1.00 0.00 C ATOM 535 C VAL A 42 8.527 -1.281 4.520 1.00 0.00 C ATOM 536 O VAL A 42 9.288 -2.223 4.292 1.00 0.00 O ATOM 537 CB VAL A 42 6.289 -2.291 4.966 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.504 -1.945 6.431 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.809 -2.265 4.615 1.00 0.00 C ATOM 0 H VAL A 42 6.186 -2.316 2.442 1.00 0.00 H new ATOM 0 HA VAL A 42 6.641 -0.326 4.145 1.00 0.00 H new ATOM 0 HB VAL A 42 6.661 -3.302 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.942 -2.639 7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.565 -2.019 6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.160 -0.928 6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.269 -2.955 5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.420 -1.256 4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.676 -2.565 3.576 1.00 0.00 H new ATOM 549 N ARG A 43 8.907 -0.185 5.167 1.00 0.00 N ATOM 550 CA ARG A 43 10.270 -0.020 5.658 1.00 0.00 C ATOM 551 C ARG A 43 10.337 -0.252 7.164 1.00 0.00 C ATOM 552 O ARG A 43 10.894 -1.248 7.625 1.00 0.00 O ATOM 553 CB ARG A 43 10.790 1.379 5.322 1.00 0.00 C ATOM 554 CG ARG A 43 12.305 1.459 5.226 1.00 0.00 C ATOM 555 CD ARG A 43 12.944 1.589 6.599 1.00 0.00 C ATOM 556 NE ARG A 43 14.304 2.116 6.522 1.00 0.00 N ATOM 557 CZ ARG A 43 14.954 2.630 7.561 1.00 0.00 C ATOM 558 NH1 ARG A 43 14.370 2.684 8.750 1.00 0.00 N ATOM 559 NH2 ARG A 43 16.189 3.089 7.411 1.00 0.00 N ATOM 0 H ARG A 43 8.290 0.603 5.364 1.00 0.00 H new ATOM 0 HA ARG A 43 10.899 -0.761 5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.357 1.701 4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.445 2.078 6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.687 0.567 4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.587 2.313 4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.336 2.245 7.221 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.960 0.614 7.085 1.00 0.00 H new ATOM 0 HE ARG A 43 14.781 2.088 5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.420 2.331 8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.870 3.079 9.546 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.641 3.048 6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.687 3.483 8.209 1.00 0.00 H new ATOM 573 N GLY A 44 9.766 0.676 7.927 1.00 0.00 N ATOM 574 CA GLY A 44 9.773 0.554 9.373 1.00 0.00 C ATOM 575 C GLY A 44 8.375 0.497 9.957 1.00 0.00 C ATOM 576 O GLY A 44 7.444 1.098 9.418 1.00 0.00 O ATOM 0 H GLY A 44 9.299 1.509 7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.319 -0.346 9.656 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.309 1.400 9.803 1.00 0.00 H new ATOM 580 N LEU A 45 8.225 -0.228 11.060 1.00 0.00 N ATOM 581 CA LEU A 45 6.930 -0.363 11.717 1.00 0.00 C ATOM 582 C LEU A 45 6.922 0.361 13.059 1.00 0.00 C ATOM 583 O LEU A 45 7.474 -0.129 14.045 1.00 0.00 O ATOM 584 CB LEU A 45 6.591 -1.841 11.920 1.00 0.00 C ATOM 585 CG LEU A 45 5.960 -2.555 10.724 1.00 0.00 C ATOM 586 CD1 LEU A 45 6.008 -4.063 10.916 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.526 -2.088 10.519 1.00 0.00 C ATOM 0 H LEU A 45 8.985 -0.732 11.518 1.00 0.00 H new ATOM 0 HA LEU A 45 6.175 0.092 11.075 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.505 -2.369 12.192 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.911 -1.924 12.768 1.00 0.00 H new ATOM 0 HG LEU A 45 6.534 -2.304 9.832 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.554 -4.554 10.055 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.045 -4.385 11.013 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.459 -4.333 11.818 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.093 -2.607 9.664 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.940 -2.309 11.412 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.516 -1.014 10.335 1.00 0.00 H new ATOM 599 N LEU A 46 6.291 1.529 13.091 1.00 0.00 N ATOM 600 CA LEU A 46 6.208 2.321 14.313 1.00 0.00 C ATOM 601 C LEU A 46 5.668 1.485 15.468 1.00 0.00 C ATOM 602 O LEU A 46 4.475 1.186 15.529 1.00 0.00 O ATOM 603 CB LEU A 46 5.315 3.544 14.093 1.00 0.00 C ATOM 604 CG LEU A 46 5.545 4.722 15.040 1.00 0.00 C ATOM 605 CD1 LEU A 46 5.451 4.268 16.489 1.00 0.00 C ATOM 606 CD2 LEU A 46 6.895 5.369 14.768 1.00 0.00 C ATOM 0 H LEU A 46 5.829 1.949 12.284 1.00 0.00 H new ATOM 0 HA LEU A 46 7.214 2.654 14.569 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.457 3.893 13.070 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.275 3.230 14.182 1.00 0.00 H new ATOM 0 HG LEU A 46 4.767 5.464 14.862 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.617 5.120 17.149 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.461 3.852 16.676 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.207 3.507 16.682 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.042 6.206 15.451 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.687 4.635 14.918 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.925 5.730 13.740 1.00 0.00 H new ATOM 618 N LYS A 47 6.553 1.111 16.386 1.00 0.00 N ATOM 619 CA LYS A 47 6.166 0.312 17.543 1.00 0.00 C ATOM 620 C LYS A 47 5.122 1.040 18.383 1.00 0.00 C ATOM 621 O LYS A 47 5.120 2.269 18.458 1.00 0.00 O ATOM 622 CB LYS A 47 7.393 -0.009 18.400 1.00 0.00 C ATOM 623 CG LYS A 47 7.239 -1.270 19.233 1.00 0.00 C ATOM 624 CD LYS A 47 6.601 -0.974 20.580 1.00 0.00 C ATOM 625 CE LYS A 47 5.863 -2.186 21.126 1.00 0.00 C ATOM 626 NZ LYS A 47 4.443 -2.220 20.678 1.00 0.00 N ATOM 0 H LYS A 47 7.544 1.349 16.351 1.00 0.00 H new ATOM 0 HA LYS A 47 5.730 -0.619 17.181 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.262 -0.116 17.750 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.593 0.833 19.063 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.629 -1.993 18.691 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.216 -1.728 19.385 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.370 -0.666 21.288 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.907 -0.139 20.480 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.368 -3.095 20.801 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.900 -2.173 22.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.957 -3.023 21.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.972 -1.334 20.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.408 -2.327 19.644 1.00 0.00 H new ATOM 640 N ASP A 48 4.238 0.275 19.014 1.00 0.00 N ATOM 641 CA ASP A 48 3.191 0.848 19.851 1.00 0.00 C ATOM 642 C ASP A 48 2.116 1.514 18.997 1.00 0.00 C ATOM 643 O ASP A 48 1.418 2.418 19.453 1.00 0.00 O ATOM 644 CB ASP A 48 3.787 1.865 20.826 1.00 0.00 C ATOM 645 CG ASP A 48 2.875 2.137 22.007 1.00 0.00 C ATOM 646 OD1 ASP A 48 2.300 1.170 22.549 1.00 0.00 O ATOM 647 OD2 ASP A 48 2.738 3.318 22.389 1.00 0.00 O ATOM 0 H ASP A 48 4.226 -0.744 18.962 1.00 0.00 H new ATOM 0 HA ASP A 48 2.730 0.039 20.418 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.747 1.497 21.189 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.982 2.799 20.299 1.00 0.00 H new ATOM 652 N GLY A 49 1.989 1.060 17.754 1.00 0.00 N ATOM 653 CA GLY A 49 0.999 1.623 16.855 1.00 0.00 C ATOM 654 C GLY A 49 -0.007 0.593 16.381 1.00 0.00 C ATOM 655 O GLY A 49 0.118 -0.601 16.658 1.00 0.00 O ATOM 0 H GLY A 49 2.555 0.312 17.353 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.474 2.434 17.360 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.503 2.058 15.992 1.00 0.00 H new ATOM 659 N PRO A 50 -1.032 1.054 15.649 1.00 0.00 N ATOM 660 CA PRO A 50 -2.083 0.179 15.121 1.00 0.00 C ATOM 661 C PRO A 50 -1.574 -0.734 14.011 1.00 0.00 C ATOM 662 O PRO A 50 -2.063 -1.851 13.840 1.00 0.00 O ATOM 663 CB PRO A 50 -3.119 1.163 14.571 1.00 0.00 C ATOM 664 CG PRO A 50 -2.342 2.395 14.257 1.00 0.00 C ATOM 665 CD PRO A 50 -1.243 2.463 15.281 1.00 0.00 C ATOM 0 HA PRO A 50 -2.476 -0.493 15.884 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.609 0.766 13.682 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.901 1.364 15.303 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.933 2.352 13.248 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.977 3.280 14.306 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.338 2.911 14.870 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.533 3.064 16.143 1.00 0.00 H new ATOM 673 N ALA A 51 -0.589 -0.253 13.260 1.00 0.00 N ATOM 674 CA ALA A 51 -0.013 -1.028 12.168 1.00 0.00 C ATOM 675 C ALA A 51 0.801 -2.203 12.699 1.00 0.00 C ATOM 676 O ALA A 51 0.486 -3.361 12.426 1.00 0.00 O ATOM 677 CB ALA A 51 0.854 -0.138 11.289 1.00 0.00 C ATOM 0 H ALA A 51 -0.173 0.670 13.388 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.831 -1.427 11.568 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.278 -0.730 10.478 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.246 0.665 10.873 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.660 0.289 11.886 1.00 0.00 H new ATOM 683 N GLN A 52 1.848 -1.897 13.458 1.00 0.00 N ATOM 684 CA GLN A 52 2.708 -2.929 14.026 1.00 0.00 C ATOM 685 C GLN A 52 1.895 -3.917 14.858 1.00 0.00 C ATOM 686 O GLN A 52 2.083 -5.129 14.757 1.00 0.00 O ATOM 687 CB GLN A 52 3.800 -2.296 14.889 1.00 0.00 C ATOM 688 CG GLN A 52 4.708 -3.311 15.563 1.00 0.00 C ATOM 689 CD GLN A 52 5.573 -4.068 14.575 1.00 0.00 C ATOM 690 OE1 GLN A 52 5.168 -5.104 14.045 1.00 0.00 O ATOM 691 NE2 GLN A 52 6.770 -3.555 14.320 1.00 0.00 N ATOM 0 H GLN A 52 2.121 -0.943 13.694 1.00 0.00 H new ATOM 0 HA GLN A 52 3.174 -3.471 13.203 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.405 -1.636 14.268 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.333 -1.675 15.653 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.348 -2.799 16.282 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.100 -4.020 16.125 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.065 -2.695 14.782 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.395 -4.021 13.662 1.00 0.00 H new ATOM 700 N ARG A 53 0.993 -3.390 15.679 1.00 0.00 N ATOM 701 CA ARG A 53 0.154 -4.225 16.529 1.00 0.00 C ATOM 702 C ARG A 53 -0.667 -5.201 15.692 1.00 0.00 C ATOM 703 O ARG A 53 -0.915 -6.334 16.107 1.00 0.00 O ATOM 704 CB ARG A 53 -0.777 -3.355 17.376 1.00 0.00 C ATOM 705 CG ARG A 53 -0.117 -2.795 18.626 1.00 0.00 C ATOM 706 CD ARG A 53 -1.148 -2.268 19.612 1.00 0.00 C ATOM 707 NE ARG A 53 -1.740 -3.339 20.410 1.00 0.00 N ATOM 708 CZ ARG A 53 -2.823 -3.181 21.163 1.00 0.00 C ATOM 709 NH1 ARG A 53 -3.429 -2.003 21.220 1.00 0.00 N ATOM 710 NH2 ARG A 53 -3.301 -4.203 21.861 1.00 0.00 N ATOM 0 H ARG A 53 0.825 -2.388 15.773 1.00 0.00 H new ATOM 0 HA ARG A 53 0.806 -4.798 17.189 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.142 -2.528 16.767 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.646 -3.945 17.667 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.480 -3.572 19.103 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.567 -1.993 18.349 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.678 -1.540 20.274 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.934 -1.744 19.069 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.298 -4.258 20.388 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.064 -1.215 20.685 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.260 -1.885 21.799 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.837 -5.110 21.820 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.133 -4.081 22.439 1.00 0.00 H new ATOM 724 N CYS A 54 -1.086 -4.754 14.513 1.00 0.00 N ATOM 725 CA CYS A 54 -1.881 -5.587 13.618 1.00 0.00 C ATOM 726 C CYS A 54 -1.060 -6.763 13.098 1.00 0.00 C ATOM 727 O CYS A 54 -1.572 -7.871 12.944 1.00 0.00 O ATOM 728 CB CYS A 54 -2.404 -4.757 12.445 1.00 0.00 C ATOM 729 SG CYS A 54 -3.881 -5.441 11.657 1.00 0.00 S ATOM 0 H CYS A 54 -0.888 -3.820 14.155 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.727 -5.979 14.182 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.627 -3.750 12.797 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.616 -4.666 11.698 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.125 -4.793 10.557 1.00 0.00 H new ATOM 735 N GLY A 55 0.218 -6.513 12.828 1.00 0.00 N ATOM 736 CA GLY A 55 1.088 -7.560 12.326 1.00 0.00 C ATOM 737 C GLY A 55 0.902 -7.808 10.843 1.00 0.00 C ATOM 738 O GLY A 55 1.874 -7.997 10.111 1.00 0.00 O ATOM 0 H GLY A 55 0.666 -5.604 12.948 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.126 -7.289 12.518 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.893 -8.483 12.873 1.00 0.00 H new ATOM 742 N ARG A 56 -0.350 -7.810 10.397 1.00 0.00 N ATOM 743 CA ARG A 56 -0.661 -8.040 8.992 1.00 0.00 C ATOM 744 C ARG A 56 0.406 -7.424 8.091 1.00 0.00 C ATOM 745 O ARG A 56 0.777 -7.999 7.067 1.00 0.00 O ATOM 746 CB ARG A 56 -2.033 -7.455 8.648 1.00 0.00 C ATOM 747 CG ARG A 56 -3.179 -8.109 9.402 1.00 0.00 C ATOM 748 CD ARG A 56 -4.524 -7.759 8.784 1.00 0.00 C ATOM 749 NE ARG A 56 -5.549 -8.746 9.110 1.00 0.00 N ATOM 750 CZ ARG A 56 -6.769 -8.741 8.583 1.00 0.00 C ATOM 751 NH1 ARG A 56 -7.113 -7.804 7.710 1.00 0.00 N ATOM 752 NH2 ARG A 56 -7.647 -9.673 8.930 1.00 0.00 N ATOM 0 H ARG A 56 -1.166 -7.655 10.989 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.679 -9.116 8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.028 -6.387 8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.206 -7.561 7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.047 -9.191 9.400 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.161 -7.788 10.443 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.841 -6.777 9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.419 -7.690 7.701 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.316 -9.480 9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.441 -7.085 7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.050 -7.802 7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.386 -10.395 9.602 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.583 -9.668 8.525 1.00 0.00 H new ATOM 766 N LEU A 57 0.895 -6.251 8.479 1.00 0.00 N ATOM 767 CA LEU A 57 1.919 -5.556 7.707 1.00 0.00 C ATOM 768 C LEU A 57 3.306 -5.814 8.286 1.00 0.00 C ATOM 769 O LEU A 57 3.519 -5.685 9.492 1.00 0.00 O ATOM 770 CB LEU A 57 1.635 -4.053 7.682 1.00 0.00 C ATOM 771 CG LEU A 57 0.610 -3.581 6.650 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.121 -2.181 6.986 1.00 0.00 C ATOM 773 CD2 LEU A 57 1.206 -3.619 5.250 1.00 0.00 C ATOM 0 H LEU A 57 0.599 -5.762 9.323 1.00 0.00 H new ATOM 0 HA LEU A 57 1.894 -5.941 6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.290 -3.752 8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.573 -3.529 7.499 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.244 -4.258 6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.608 -1.862 6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.345 -2.185 7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.965 -1.491 6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.462 -3.280 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.077 -2.965 5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.506 -4.639 5.010 1.00 0.00 H new ATOM 785 N GLU A 58 4.247 -6.175 7.419 1.00 0.00 N ATOM 786 CA GLU A 58 5.614 -6.449 7.846 1.00 0.00 C ATOM 787 C GLU A 58 6.619 -5.876 6.852 1.00 0.00 C ATOM 788 O GLU A 58 6.322 -5.729 5.666 1.00 0.00 O ATOM 789 CB GLU A 58 5.832 -7.956 7.998 1.00 0.00 C ATOM 790 CG GLU A 58 4.858 -8.618 8.958 1.00 0.00 C ATOM 791 CD GLU A 58 4.995 -10.128 8.978 1.00 0.00 C ATOM 792 OE1 GLU A 58 6.064 -10.633 8.577 1.00 0.00 O ATOM 793 OE2 GLU A 58 4.032 -10.805 9.396 1.00 0.00 O ATOM 0 H GLU A 58 4.088 -6.284 6.417 1.00 0.00 H new ATOM 0 HA GLU A 58 5.770 -5.968 8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.742 -8.428 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.850 -8.134 8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.022 -8.229 9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.839 -8.353 8.676 1.00 0.00 H new ATOM 800 N VAL A 59 7.812 -5.554 7.343 1.00 0.00 N ATOM 801 CA VAL A 59 8.862 -4.998 6.499 1.00 0.00 C ATOM 802 C VAL A 59 9.173 -5.923 5.328 1.00 0.00 C ATOM 803 O VAL A 59 9.501 -7.094 5.518 1.00 0.00 O ATOM 804 CB VAL A 59 10.154 -4.750 7.300 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.176 -4.011 6.450 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.850 -3.978 8.575 1.00 0.00 C ATOM 0 H VAL A 59 8.075 -5.669 8.322 1.00 0.00 H new ATOM 0 HA VAL A 59 8.491 -4.046 6.118 1.00 0.00 H new ATOM 0 HB VAL A 59 10.579 -5.714 7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.082 -3.845 7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.415 -4.607 5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.764 -3.051 6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.774 -3.812 9.129 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.401 -3.018 8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.156 -4.551 9.191 1.00 0.00 H new ATOM 816 N GLY A 60 9.069 -5.389 4.115 1.00 0.00 N ATOM 817 CA GLY A 60 9.343 -6.181 2.929 1.00 0.00 C ATOM 818 C GLY A 60 8.137 -6.298 2.019 1.00 0.00 C ATOM 819 O GLY A 60 8.278 -6.403 0.800 1.00 0.00 O ATOM 0 H GLY A 60 8.800 -4.422 3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.168 -5.730 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.667 -7.178 3.228 1.00 0.00 H new ATOM 823 N ASP A 61 6.947 -6.281 2.610 1.00 0.00 N ATOM 824 CA ASP A 61 5.711 -6.387 1.844 1.00 0.00 C ATOM 825 C ASP A 61 5.739 -5.454 0.637 1.00 0.00 C ATOM 826 O ASP A 61 6.244 -4.334 0.715 1.00 0.00 O ATOM 827 CB ASP A 61 4.508 -6.059 2.729 1.00 0.00 C ATOM 828 CG ASP A 61 3.994 -7.272 3.480 1.00 0.00 C ATOM 829 OD1 ASP A 61 4.333 -8.406 3.079 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.255 -7.088 4.469 1.00 0.00 O ATOM 0 H ASP A 61 6.813 -6.195 3.617 1.00 0.00 H new ATOM 0 HA ASP A 61 5.620 -7.413 1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.787 -5.284 3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.707 -5.651 2.112 1.00 0.00 H new ATOM 835 N LEU A 62 5.194 -5.925 -0.480 1.00 0.00 N ATOM 836 CA LEU A 62 5.156 -5.134 -1.705 1.00 0.00 C ATOM 837 C LEU A 62 3.809 -4.436 -1.862 1.00 0.00 C ATOM 838 O LEU A 62 2.760 -5.021 -1.592 1.00 0.00 O ATOM 839 CB LEU A 62 5.427 -6.024 -2.919 1.00 0.00 C ATOM 840 CG LEU A 62 6.680 -6.897 -2.845 1.00 0.00 C ATOM 841 CD1 LEU A 62 6.777 -7.797 -4.068 1.00 0.00 C ATOM 842 CD2 LEU A 62 7.925 -6.032 -2.718 1.00 0.00 C ATOM 0 H LEU A 62 4.773 -6.850 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 62 5.933 -4.372 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.564 -6.673 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.503 -5.388 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 62 6.608 -7.528 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.675 -8.411 -3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.899 -8.442 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.826 -7.184 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.807 -6.670 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.002 -5.375 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.859 -5.430 -1.812 1.00 0.00 H new ATOM 854 N VAL A 63 3.845 -3.182 -2.302 1.00 0.00 N ATOM 855 CA VAL A 63 2.627 -2.405 -2.498 1.00 0.00 C ATOM 856 C VAL A 63 2.234 -2.363 -3.971 1.00 0.00 C ATOM 857 O VAL A 63 3.008 -1.917 -4.819 1.00 0.00 O ATOM 858 CB VAL A 63 2.791 -0.964 -1.980 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.449 -0.249 -1.957 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.428 -0.964 -0.599 1.00 0.00 C ATOM 0 H VAL A 63 4.705 -2.683 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 63 1.840 -2.900 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 63 3.451 -0.425 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.585 0.768 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.036 -0.217 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.763 -0.784 -1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.536 0.062 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.795 -1.519 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.410 -1.435 -0.651 1.00 0.00 H new ATOM 870 N LEU A 64 1.026 -2.829 -4.268 1.00 0.00 N ATOM 871 CA LEU A 64 0.528 -2.844 -5.639 1.00 0.00 C ATOM 872 C LEU A 64 -0.474 -1.718 -5.867 1.00 0.00 C ATOM 873 O LEU A 64 -0.584 -1.184 -6.971 1.00 0.00 O ATOM 874 CB LEU A 64 -0.123 -4.193 -5.951 1.00 0.00 C ATOM 875 CG LEU A 64 0.778 -5.421 -5.817 1.00 0.00 C ATOM 876 CD1 LEU A 64 0.820 -5.897 -4.373 1.00 0.00 C ATOM 877 CD2 LEU A 64 0.299 -6.536 -6.735 1.00 0.00 C ATOM 0 H LEU A 64 0.373 -3.201 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 64 1.375 -2.692 -6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.980 -4.322 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.509 -4.160 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 64 1.789 -5.141 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.466 -6.772 -4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.211 -5.101 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.186 -6.160 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.952 -7.402 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.721 -6.814 -6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.322 -6.191 -7.769 1.00 0.00 H new ATOM 889 N HIS A 65 -1.203 -1.359 -4.815 1.00 0.00 N ATOM 890 CA HIS A 65 -2.195 -0.293 -4.899 1.00 0.00 C ATOM 891 C HIS A 65 -2.508 0.269 -3.516 1.00 0.00 C ATOM 892 O HIS A 65 -2.046 -0.258 -2.503 1.00 0.00 O ATOM 893 CB HIS A 65 -3.476 -0.810 -5.554 1.00 0.00 C ATOM 894 CG HIS A 65 -3.231 -1.631 -6.782 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.950 -1.078 -8.014 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.225 -2.973 -6.964 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.783 -2.044 -8.900 1.00 0.00 C ATOM 898 NE2 HIS A 65 -2.945 -3.203 -8.288 1.00 0.00 N ATOM 0 H HIS A 65 -1.125 -1.791 -3.894 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.780 0.508 -5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -4.028 -1.410 -4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.109 0.038 -5.814 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.407 -3.723 -6.208 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.553 -1.909 -9.947 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.874 -4.120 -8.728 1.00 0.00 H new ATOM 907 N ILE A 66 -3.292 1.341 -3.481 1.00 0.00 N ATOM 908 CA ILE A 66 -3.666 1.973 -2.222 1.00 0.00 C ATOM 909 C ILE A 66 -5.055 2.595 -2.311 1.00 0.00 C ATOM 910 O ILE A 66 -5.340 3.376 -3.218 1.00 0.00 O ATOM 911 CB ILE A 66 -2.654 3.061 -1.816 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.262 2.451 -1.634 1.00 0.00 C ATOM 913 CG2 ILE A 66 -3.105 3.754 -0.539 1.00 0.00 C ATOM 914 CD1 ILE A 66 -0.212 3.456 -1.217 1.00 0.00 C ATOM 0 H ILE A 66 -3.681 1.790 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.669 1.190 -1.464 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.604 3.804 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.315 1.661 -0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.954 1.983 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.380 4.520 -0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.078 4.217 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.181 3.022 0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.749 2.954 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.130 4.233 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.497 3.907 -0.266 1.00 0.00 H new ATOM 926 N ASN A 67 -5.916 2.245 -1.361 1.00 0.00 N ATOM 927 CA ASN A 67 -7.277 2.770 -1.331 1.00 0.00 C ATOM 928 C ASN A 67 -7.830 2.928 -2.744 1.00 0.00 C ATOM 929 O ASN A 67 -8.281 4.006 -3.128 1.00 0.00 O ATOM 930 CB ASN A 67 -7.310 4.116 -0.605 1.00 0.00 C ATOM 931 CG ASN A 67 -6.187 5.037 -1.042 1.00 0.00 C ATOM 932 OD1 ASN A 67 -6.100 5.417 -2.209 1.00 0.00 O ATOM 933 ND2 ASN A 67 -5.320 5.399 -0.103 1.00 0.00 N ATOM 0 H ASN A 67 -5.696 1.600 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.903 2.059 -0.792 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.268 4.602 -0.790 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.241 3.948 0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.543 6.017 -0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.431 5.059 0.852 1.00 0.00 H new ATOM 940 N GLY A 68 -7.794 1.843 -3.512 1.00 0.00 N ATOM 941 CA GLY A 68 -8.295 1.882 -4.874 1.00 0.00 C ATOM 942 C GLY A 68 -7.563 2.894 -5.733 1.00 0.00 C ATOM 943 O GLY A 68 -8.158 3.514 -6.614 1.00 0.00 O ATOM 0 H GLY A 68 -7.427 0.939 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.199 0.893 -5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.358 2.123 -4.860 1.00 0.00 H new ATOM 947 N GLU A 69 -6.270 3.062 -5.474 1.00 0.00 N ATOM 948 CA GLU A 69 -5.458 4.009 -6.230 1.00 0.00 C ATOM 949 C GLU A 69 -4.308 3.296 -6.936 1.00 0.00 C ATOM 950 O GLU A 69 -3.472 2.659 -6.295 1.00 0.00 O ATOM 951 CB GLU A 69 -4.908 5.095 -5.304 1.00 0.00 C ATOM 952 CG GLU A 69 -4.252 6.250 -6.042 1.00 0.00 C ATOM 953 CD GLU A 69 -4.960 6.589 -7.340 1.00 0.00 C ATOM 954 OE1 GLU A 69 -6.030 7.229 -7.281 1.00 0.00 O ATOM 955 OE2 GLU A 69 -4.443 6.215 -8.413 1.00 0.00 O ATOM 0 H GLU A 69 -5.763 2.556 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.093 4.473 -6.985 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.721 5.482 -4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.181 4.648 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.241 7.129 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.213 5.998 -6.254 1.00 0.00 H new ATOM 962 N SER A 70 -4.273 3.409 -8.259 1.00 0.00 N ATOM 963 CA SER A 70 -3.228 2.773 -9.054 1.00 0.00 C ATOM 964 C SER A 70 -1.884 3.460 -8.835 1.00 0.00 C ATOM 965 O SER A 70 -1.652 4.567 -9.322 1.00 0.00 O ATOM 966 CB SER A 70 -3.596 2.807 -10.539 1.00 0.00 C ATOM 967 OG SER A 70 -3.767 4.138 -10.991 1.00 0.00 O ATOM 0 H SER A 70 -4.956 3.935 -8.804 1.00 0.00 H new ATOM 0 HA SER A 70 -3.142 1.735 -8.732 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.815 2.319 -11.122 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.514 2.243 -10.702 1.00 0.00 H new ATOM 0 HG SER A 70 -3.100 4.716 -10.565 1.00 0.00 H new ATOM 973 N THR A 71 -1.000 2.796 -8.097 1.00 0.00 N ATOM 974 CA THR A 71 0.321 3.342 -7.811 1.00 0.00 C ATOM 975 C THR A 71 1.278 3.101 -8.973 1.00 0.00 C ATOM 976 O THR A 71 2.485 3.303 -8.845 1.00 0.00 O ATOM 977 CB THR A 71 0.918 2.727 -6.532 1.00 0.00 C ATOM 978 OG1 THR A 71 2.168 3.355 -6.224 1.00 0.00 O ATOM 979 CG2 THR A 71 1.126 1.229 -6.698 1.00 0.00 C ATOM 0 H THR A 71 -1.175 1.879 -7.686 1.00 0.00 H new ATOM 0 HA THR A 71 0.195 4.415 -7.664 1.00 0.00 H new ATOM 0 HB THR A 71 0.217 2.893 -5.714 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.618 3.613 -7.055 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.549 0.817 -5.782 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.169 0.749 -6.904 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.810 1.046 -7.527 1.00 0.00 H new ATOM 987 N GLN A 72 0.732 2.669 -10.105 1.00 0.00 N ATOM 988 CA GLN A 72 1.539 2.401 -11.289 1.00 0.00 C ATOM 989 C GLN A 72 2.406 3.605 -11.641 1.00 0.00 C ATOM 990 O GLN A 72 3.556 3.455 -12.052 1.00 0.00 O ATOM 991 CB GLN A 72 0.641 2.040 -12.473 1.00 0.00 C ATOM 992 CG GLN A 72 0.158 0.599 -12.455 1.00 0.00 C ATOM 993 CD GLN A 72 1.188 -0.368 -13.005 1.00 0.00 C ATOM 994 OE1 GLN A 72 1.159 -0.720 -14.185 1.00 0.00 O ATOM 995 NE2 GLN A 72 2.107 -0.804 -12.152 1.00 0.00 N ATOM 0 H GLN A 72 -0.266 2.497 -10.227 1.00 0.00 H new ATOM 0 HA GLN A 72 2.193 1.558 -11.068 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.224 2.704 -12.478 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.186 2.220 -13.400 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.091 0.316 -11.432 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.758 0.519 -13.040 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.094 -0.487 -11.183 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.826 -1.456 -12.466 1.00 0.00 H new ATOM 1004 N GLY A 73 1.846 4.800 -11.476 1.00 0.00 N ATOM 1005 CA GLY A 73 2.583 6.012 -11.781 1.00 0.00 C ATOM 1006 C GLY A 73 2.576 7.000 -10.631 1.00 0.00 C ATOM 1007 O GLY A 73 2.529 8.212 -10.844 1.00 0.00 O ATOM 0 H GLY A 73 0.896 4.950 -11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.613 5.755 -12.029 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.151 6.484 -12.664 1.00 0.00 H new ATOM 1011 N LEU A 74 2.621 6.482 -9.409 1.00 0.00 N ATOM 1012 CA LEU A 74 2.619 7.327 -8.219 1.00 0.00 C ATOM 1013 C LEU A 74 3.940 7.211 -7.467 1.00 0.00 C ATOM 1014 O LEU A 74 4.392 6.111 -7.147 1.00 0.00 O ATOM 1015 CB LEU A 74 1.459 6.942 -7.299 1.00 0.00 C ATOM 1016 CG LEU A 74 0.059 7.048 -7.904 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -0.984 6.520 -6.931 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.248 8.488 -8.287 1.00 0.00 C ATOM 0 H LEU A 74 2.659 5.481 -9.215 1.00 0.00 H new ATOM 0 HA LEU A 74 2.494 8.362 -8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.612 5.916 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.499 7.575 -6.413 1.00 0.00 H new ATOM 0 HG LEU A 74 0.027 6.438 -8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.974 6.603 -7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.775 5.474 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.951 7.103 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.248 8.545 -8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.197 9.119 -7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.481 8.833 -9.020 1.00 0.00 H new ATOM 1030 N THR A 75 4.557 8.355 -7.184 1.00 0.00 N ATOM 1031 CA THR A 75 5.825 8.383 -6.468 1.00 0.00 C ATOM 1032 C THR A 75 5.624 8.111 -4.981 1.00 0.00 C ATOM 1033 O THR A 75 4.499 7.908 -4.524 1.00 0.00 O ATOM 1034 CB THR A 75 6.538 9.738 -6.639 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.628 10.808 -6.359 1.00 0.00 O ATOM 1036 CG2 THR A 75 7.085 9.887 -8.050 1.00 0.00 C ATOM 0 H THR A 75 4.198 9.274 -7.441 1.00 0.00 H new ATOM 0 HA THR A 75 6.447 7.597 -6.897 1.00 0.00 H new ATOM 0 HB THR A 75 7.371 9.777 -5.938 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.089 11.666 -6.468 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.584 10.851 -8.147 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.798 9.088 -8.250 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.265 9.829 -8.766 1.00 0.00 H new ATOM 1044 N HIS A 76 6.721 8.110 -4.231 1.00 0.00 N ATOM 1045 CA HIS A 76 6.664 7.865 -2.794 1.00 0.00 C ATOM 1046 C HIS A 76 5.666 8.803 -2.122 1.00 0.00 C ATOM 1047 O HIS A 76 4.764 8.360 -1.412 1.00 0.00 O ATOM 1048 CB HIS A 76 8.048 8.042 -2.169 1.00 0.00 C ATOM 1049 CG HIS A 76 8.014 8.260 -0.688 1.00 0.00 C ATOM 1050 ND1 HIS A 76 8.950 9.018 -0.017 1.00 0.00 N ATOM 1051 CD2 HIS A 76 7.148 7.815 0.252 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.662 9.028 1.273 1.00 0.00 C ATOM 1053 NE2 HIS A 76 7.572 8.306 1.462 1.00 0.00 N ATOM 0 H HIS A 76 7.660 8.276 -4.594 1.00 0.00 H new ATOM 0 HA HIS A 76 6.332 6.838 -2.639 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.650 7.159 -2.384 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.545 8.889 -2.641 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.284 7.190 0.082 1.00 0.00 H new ATOM 0 HE1 HIS A 76 9.222 9.539 2.042 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.119 8.140 2.361 1.00 0.00 H new ATOM 1062 N ALA A 77 5.835 10.101 -2.351 1.00 0.00 N ATOM 1063 CA ALA A 77 4.948 11.101 -1.769 1.00 0.00 C ATOM 1064 C ALA A 77 3.496 10.837 -2.152 1.00 0.00 C ATOM 1065 O ALA A 77 2.606 10.869 -1.303 1.00 0.00 O ATOM 1066 CB ALA A 77 5.367 12.497 -2.207 1.00 0.00 C ATOM 0 H ALA A 77 6.578 10.485 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 77 5.027 11.034 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.696 13.234 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.387 12.691 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.318 12.567 -3.294 1.00 0.00 H new ATOM 1072 N GLN A 78 3.266 10.578 -3.435 1.00 0.00 N ATOM 1073 CA GLN A 78 1.920 10.310 -3.930 1.00 0.00 C ATOM 1074 C GLN A 78 1.241 9.225 -3.101 1.00 0.00 C ATOM 1075 O GLN A 78 0.197 9.457 -2.493 1.00 0.00 O ATOM 1076 CB GLN A 78 1.969 9.890 -5.400 1.00 0.00 C ATOM 1077 CG GLN A 78 2.196 11.049 -6.357 1.00 0.00 C ATOM 1078 CD GLN A 78 0.991 11.962 -6.464 1.00 0.00 C ATOM 1079 OE1 GLN A 78 -0.132 11.505 -6.682 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.217 13.261 -6.309 1.00 0.00 N ATOM 0 H GLN A 78 3.993 10.548 -4.150 1.00 0.00 H new ATOM 0 HA GLN A 78 1.338 11.227 -3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.766 9.158 -5.534 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.034 9.394 -5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.057 11.628 -6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.439 10.657 -7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.164 13.596 -6.130 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.444 13.924 -6.369 1.00 0.00 H new ATOM 1089 N ALA A 79 1.841 8.040 -3.081 1.00 0.00 N ATOM 1090 CA ALA A 79 1.295 6.919 -2.325 1.00 0.00 C ATOM 1091 C ALA A 79 0.807 7.369 -0.953 1.00 0.00 C ATOM 1092 O ALA A 79 -0.371 7.227 -0.624 1.00 0.00 O ATOM 1093 CB ALA A 79 2.338 5.821 -2.183 1.00 0.00 C ATOM 0 H ALA A 79 2.706 7.831 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 79 0.440 6.524 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.917 4.990 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.636 5.472 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.210 6.213 -1.659 1.00 0.00 H new ATOM 1099 N VAL A 80 1.720 7.912 -0.153 1.00 0.00 N ATOM 1100 CA VAL A 80 1.382 8.384 1.184 1.00 0.00 C ATOM 1101 C VAL A 80 0.189 9.333 1.147 1.00 0.00 C ATOM 1102 O VAL A 80 -0.825 9.096 1.803 1.00 0.00 O ATOM 1103 CB VAL A 80 2.574 9.101 1.845 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.210 9.561 3.248 1.00 0.00 C ATOM 1105 CG2 VAL A 80 3.793 8.191 1.873 1.00 0.00 C ATOM 0 H VAL A 80 2.700 8.036 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 80 1.125 7.504 1.774 1.00 0.00 H new ATOM 0 HB VAL A 80 2.820 9.982 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.065 10.065 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.367 10.250 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.937 8.698 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.626 8.713 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.562 7.290 2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.066 7.917 0.854 1.00 0.00 H new ATOM 1115 N GLU A 81 0.319 10.407 0.376 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.749 11.393 0.254 1.00 0.00 C ATOM 1117 C GLU A 81 -2.114 10.712 0.192 1.00 0.00 C ATOM 1118 O GLU A 81 -3.025 11.054 0.946 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.540 12.254 -0.993 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.284 13.577 -0.952 1.00 0.00 C ATOM 1121 CD GLU A 81 -1.191 14.341 -2.258 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -0.243 15.140 -2.411 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -2.064 14.139 -3.128 1.00 0.00 O ATOM 0 H GLU A 81 1.152 10.617 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.720 12.032 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.525 12.450 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.863 11.693 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.332 13.392 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.881 14.191 -0.147 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.246 9.746 -0.712 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.498 9.018 -0.874 1.00 0.00 C ATOM 1132 C ARG A 82 -3.955 8.420 0.453 1.00 0.00 C ATOM 1133 O ARG A 82 -5.138 8.468 0.791 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.337 7.910 -1.917 1.00 0.00 C ATOM 1135 CG ARG A 82 -2.812 8.404 -3.255 1.00 0.00 C ATOM 1136 CD ARG A 82 -3.826 9.294 -3.956 1.00 0.00 C ATOM 1137 NE ARG A 82 -3.816 10.656 -3.429 1.00 0.00 N ATOM 1138 CZ ARG A 82 -4.411 11.681 -4.030 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -5.060 11.499 -5.171 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -4.357 12.891 -3.488 1.00 0.00 N ATOM 0 H ARG A 82 -1.501 9.450 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.257 9.722 -1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.658 7.152 -1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.301 7.425 -2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.885 8.957 -3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.573 7.551 -3.891 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.611 9.317 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.823 8.868 -3.841 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.326 10.830 -2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.104 10.570 -5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.516 12.288 -5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.859 13.035 -2.610 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.814 13.677 -3.950 1.00 0.00 H new ATOM 1154 N ILE A 83 -3.011 7.857 1.199 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.317 7.251 2.489 1.00 0.00 C ATOM 1156 C ILE A 83 -3.913 8.274 3.450 1.00 0.00 C ATOM 1157 O ILE A 83 -4.951 8.032 4.065 1.00 0.00 O ATOM 1158 CB ILE A 83 -2.063 6.630 3.131 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.451 5.583 2.197 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.408 6.010 4.477 1.00 0.00 C ATOM 1161 CD1 ILE A 83 -0.034 5.201 2.564 1.00 0.00 C ATOM 0 H ILE A 83 -2.028 7.808 0.932 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.047 6.464 2.302 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.328 7.418 3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.074 4.689 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.463 5.967 1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.511 5.575 4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.803 6.779 5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.158 5.231 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.336 4.456 1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.603 6.085 2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.018 4.787 3.572 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.249 9.419 3.573 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.713 10.480 4.458 1.00 0.00 C ATOM 1175 C ARG A 84 -5.119 10.932 4.075 1.00 0.00 C ATOM 1176 O ARG A 84 -6.012 10.997 4.919 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.752 11.670 4.411 1.00 0.00 C ATOM 1178 CG ARG A 84 -1.433 11.417 5.123 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.514 11.794 6.594 1.00 0.00 C ATOM 1180 NE ARG A 84 -2.163 10.755 7.390 1.00 0.00 N ATOM 1181 CZ ARG A 84 -2.385 10.862 8.696 1.00 0.00 C ATOM 1182 NH1 ARG A 84 -2.013 11.954 9.348 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -2.982 9.874 9.351 1.00 0.00 N ATOM 0 H ARG A 84 -2.388 9.635 3.071 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.741 10.085 5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.550 11.922 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.238 12.536 4.861 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.164 10.365 5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.642 11.992 4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.510 11.971 6.979 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.065 12.729 6.699 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.462 9.902 6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.555 12.716 8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.185 12.033 10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.270 9.032 8.852 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.152 9.956 10.353 1.00 0.00 H new ATOM 1197 N ALA A 85 -5.307 11.244 2.797 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.604 11.688 2.302 1.00 0.00 C ATOM 1199 C ALA A 85 -7.647 10.583 2.426 1.00 0.00 C ATOM 1200 O ALA A 85 -8.838 10.854 2.571 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.487 12.147 0.856 1.00 0.00 C ATOM 0 H ALA A 85 -4.577 11.197 2.086 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.931 12.529 2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.463 12.476 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.780 12.974 0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.135 11.320 0.239 1.00 0.00 H new ATOM 1207 N GLY A 86 -7.190 9.336 2.367 1.00 0.00 N ATOM 1208 CA GLY A 86 -8.098 8.208 2.474 1.00 0.00 C ATOM 1209 C GLY A 86 -9.163 8.419 3.532 1.00 0.00 C ATOM 1210 O GLY A 86 -10.335 8.118 3.312 1.00 0.00 O ATOM 0 H GLY A 86 -6.208 9.086 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.577 8.038 1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.529 7.309 2.710 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.754 8.936 4.687 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.693 9.176 5.766 1.00 0.00 C ATOM 1216 C GLY A 87 -9.273 8.507 7.060 1.00 0.00 C ATOM 1217 O GLY A 87 -8.100 8.199 7.272 1.00 0.00 O ATOM 0 H GLY A 87 -7.789 9.193 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.787 10.250 5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.678 8.810 5.475 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.246 8.273 7.953 1.00 0.00 N ATOM 1222 CA PRO A 88 -9.995 7.635 9.249 1.00 0.00 C ATOM 1223 C PRO A 88 -9.635 6.160 9.108 1.00 0.00 C ATOM 1224 O PRO A 88 -9.147 5.539 10.051 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.327 7.793 9.986 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.346 7.907 8.906 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.666 8.614 7.767 1.00 0.00 C ATOM 0 HA PRO A 88 -9.149 8.085 9.769 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.527 6.937 10.630 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.325 8.678 10.623 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.700 6.923 8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.216 8.467 9.248 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.038 8.271 6.802 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.829 9.691 7.808 1.00 0.00 H new ATOM 1235 N GLN A 89 -9.880 5.606 7.925 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.582 4.203 7.662 1.00 0.00 C ATOM 1237 C GLN A 89 -8.488 4.067 6.608 1.00 0.00 C ATOM 1238 O GLN A 89 -8.561 4.677 5.541 1.00 0.00 O ATOM 1239 CB GLN A 89 -10.843 3.469 7.203 1.00 0.00 C ATOM 1240 CG GLN A 89 -11.686 2.933 8.349 1.00 0.00 C ATOM 1241 CD GLN A 89 -12.833 2.063 7.872 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -12.833 1.583 6.738 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -13.818 1.855 8.738 1.00 0.00 N ATOM 0 H GLN A 89 -10.284 6.107 7.134 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.226 3.754 8.589 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.450 4.147 6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.556 2.640 6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.052 2.355 9.022 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.084 3.769 8.924 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.776 2.273 9.668 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.616 1.277 8.474 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.475 3.264 6.915 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.364 3.048 5.994 1.00 0.00 C ATOM 1254 C LEU A 90 -6.579 1.783 5.169 1.00 0.00 C ATOM 1255 O LEU A 90 -6.867 0.717 5.712 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.048 2.949 6.766 1.00 0.00 C ATOM 1257 CG LEU A 90 -3.948 2.112 6.113 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.574 2.634 6.505 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.093 0.647 6.498 1.00 0.00 C ATOM 0 H LEU A 90 -7.400 2.752 7.794 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.317 3.899 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.665 3.957 6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.258 2.532 7.751 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.050 2.195 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.804 2.025 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.471 3.669 6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.461 2.583 7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.302 0.066 6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.018 0.546 7.581 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.063 0.278 6.165 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.436 1.910 3.853 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.611 0.776 2.953 1.00 0.00 C ATOM 1273 C HIS A 91 -5.407 0.624 2.029 1.00 0.00 C ATOM 1274 O HIS A 91 -5.201 1.432 1.122 1.00 0.00 O ATOM 1275 CB HIS A 91 -7.886 0.947 2.125 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.443 -0.344 1.610 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.289 -0.762 0.305 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.156 -1.312 2.232 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.885 -1.930 0.146 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.418 -2.286 1.301 1.00 0.00 N ATOM 0 H HIS A 91 -6.200 2.786 3.387 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.698 -0.126 3.558 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.642 1.442 2.735 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.676 1.605 1.282 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.462 -1.317 3.268 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.929 -2.497 -0.772 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.940 -3.145 1.473 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.614 -0.415 2.264 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.429 -0.673 1.453 1.00 0.00 C ATOM 1291 C LEU A 92 -3.472 -2.075 0.856 1.00 0.00 C ATOM 1292 O LEU A 92 -3.681 -3.058 1.567 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.164 -0.503 2.296 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.102 0.750 3.170 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -0.780 0.813 3.920 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.298 2.000 2.325 1.00 0.00 C ATOM 0 H LEU A 92 -4.770 -1.093 3.010 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.414 0.048 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.061 -1.376 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.304 -0.497 1.627 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.909 0.700 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.754 1.711 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.680 -0.067 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.043 0.839 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.251 2.882 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.513 2.056 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.271 1.959 1.835 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.271 -2.161 -0.455 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.283 -3.444 -1.148 1.00 0.00 C ATOM 1310 C VAL A 93 -1.893 -4.070 -1.171 1.00 0.00 C ATOM 1311 O VAL A 93 -0.988 -3.571 -1.841 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.792 -3.296 -2.594 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -4.107 -4.659 -3.192 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -5.013 -2.390 -2.639 1.00 0.00 C ATOM 0 H VAL A 93 -3.098 -1.357 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.962 -4.095 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.005 -2.837 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.465 -4.534 -4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.206 -5.272 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.876 -5.149 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.359 -2.297 -3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.807 -2.818 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.749 -1.405 -2.254 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.730 -5.165 -0.437 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.450 -5.859 -0.374 1.00 0.00 C ATOM 1326 C ILE A 94 -0.563 -7.271 -0.942 1.00 0.00 C ATOM 1327 O ILE A 94 -1.625 -7.890 -0.886 1.00 0.00 O ATOM 1328 CB ILE A 94 0.077 -5.939 1.070 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.292 -4.534 1.636 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.370 -6.739 1.118 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.516 -3.840 1.081 1.00 0.00 C ATOM 0 H ILE A 94 -2.469 -5.591 0.123 1.00 0.00 H new ATOM 0 HA ILE A 94 0.252 -5.282 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.665 -6.448 1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.588 -3.927 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.381 -4.598 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.730 -6.787 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.187 -7.749 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.120 -6.256 0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.606 -2.849 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.405 -4.426 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.421 -3.744 -0.001 1.00 0.00 H new ATOM 1343 N ARG A 95 0.541 -7.773 -1.486 1.00 0.00 N ATOM 1344 CA ARG A 95 0.566 -9.112 -2.063 1.00 0.00 C ATOM 1345 C ARG A 95 1.803 -9.878 -1.603 1.00 0.00 C ATOM 1346 O ARG A 95 2.898 -9.684 -2.132 1.00 0.00 O ATOM 1347 CB ARG A 95 0.541 -9.033 -3.590 1.00 0.00 C ATOM 1348 CG ARG A 95 0.907 -10.340 -4.274 1.00 0.00 C ATOM 1349 CD ARG A 95 1.200 -10.132 -5.752 1.00 0.00 C ATOM 1350 NE ARG A 95 0.907 -11.326 -6.541 1.00 0.00 N ATOM 1351 CZ ARG A 95 1.662 -12.418 -6.530 1.00 0.00 C ATOM 1352 NH1 ARG A 95 2.750 -12.468 -5.774 1.00 0.00 N ATOM 1353 NH2 ARG A 95 1.330 -13.464 -7.275 1.00 0.00 N ATOM 0 H ARG A 95 1.429 -7.273 -1.539 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.320 -9.646 -1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.455 -8.730 -3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.232 -8.256 -3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.779 -10.775 -3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.090 -11.053 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.608 -9.297 -6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 95 2.248 -9.861 -5.879 1.00 0.00 H new ATOM 0 HE ARG A 95 0.076 -11.320 -7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.009 -11.666 -5.199 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.328 -13.308 -5.767 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.493 -13.430 -7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.911 -14.302 -7.265 1.00 0.00 H new ATOM 1367 N ARG A 96 1.621 -10.748 -0.615 1.00 0.00 N ATOM 1368 CA ARG A 96 2.722 -11.542 -0.083 1.00 0.00 C ATOM 1369 C ARG A 96 3.395 -12.348 -1.190 1.00 0.00 C ATOM 1370 O ARG A 96 2.824 -13.288 -1.742 1.00 0.00 O ATOM 1371 CB ARG A 96 2.218 -12.483 1.013 1.00 0.00 C ATOM 1372 CG ARG A 96 1.913 -11.780 2.326 1.00 0.00 C ATOM 1373 CD ARG A 96 0.906 -12.563 3.155 1.00 0.00 C ATOM 1374 NE ARG A 96 1.520 -13.705 3.826 1.00 0.00 N ATOM 1375 CZ ARG A 96 0.915 -14.414 4.772 1.00 0.00 C ATOM 1376 NH1 ARG A 96 -0.314 -14.100 5.157 1.00 0.00 N ATOM 1377 NH2 ARG A 96 1.540 -15.440 5.336 1.00 0.00 N ATOM 0 H ARG A 96 0.721 -10.921 -0.167 1.00 0.00 H new ATOM 0 HA ARG A 96 3.456 -10.859 0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.317 -12.986 0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.966 -13.256 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.834 -11.653 2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.523 -10.782 2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.458 -11.904 3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.099 -12.912 2.511 1.00 0.00 H new ATOM 0 HE ARG A 96 2.466 -13.973 3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.798 -13.312 4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.776 -14.646 5.884 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.486 -15.685 5.043 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.074 -15.984 6.063 1.00 0.00 H new ATOM 1391 N PRO A 97 4.639 -11.972 -1.523 1.00 0.00 N ATOM 1392 CA PRO A 97 5.417 -12.646 -2.567 1.00 0.00 C ATOM 1393 C PRO A 97 5.847 -14.050 -2.153 1.00 0.00 C ATOM 1394 O PRO A 97 5.715 -14.433 -0.990 1.00 0.00 O ATOM 1395 CB PRO A 97 6.640 -11.741 -2.738 1.00 0.00 C ATOM 1396 CG PRO A 97 6.779 -11.041 -1.430 1.00 0.00 C ATOM 1397 CD PRO A 97 5.382 -10.860 -0.907 1.00 0.00 C ATOM 0 HA PRO A 97 4.840 -12.783 -3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.532 -12.321 -2.973 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.497 -11.032 -3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.383 -11.626 -0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.277 -10.079 -1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.351 -10.910 0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.968 -9.893 -1.193 1.00 0.00 H new