USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=11 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 158:sc= 0 USER MOD Set 1.2: A 91 HIS : no HE2:sc= -1.86 K(o=-1.9,f=-3.5!) USER MOD Single : A 12 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.0023) 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 30:sc= 0.336 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.64) USER MOD Single : A 54 CYS SG : rot -56:sc= -1.23 USER MOD Single : A 65 HIS : no HE2:sc= -2.39! C(o=-2.4!,f=-5.4!) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.22 F(o=-1,f=-0.22) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 76 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-3.6!) USER MOD Single : A 78 GLN : amide:sc= -0.0309 K(o=-0.031,f=-1.7!) USER MOD Single : A 89 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 111 N HIS A 12 -3.801 -10.973 -3.869 1.00 0.00 N ATOM 112 CA HIS A 12 -3.765 -9.597 -3.384 1.00 0.00 C ATOM 113 C HIS A 12 -4.813 -9.377 -2.297 1.00 0.00 C ATOM 114 O HIS A 12 -5.952 -9.827 -2.418 1.00 0.00 O ATOM 115 CB HIS A 12 -3.998 -8.622 -4.538 1.00 0.00 C ATOM 116 CG HIS A 12 -3.487 -9.119 -5.855 1.00 0.00 C ATOM 117 ND1 HIS A 12 -4.237 -9.092 -7.012 1.00 0.00 N ATOM 118 CD2 HIS A 12 -2.292 -9.656 -6.196 1.00 0.00 C ATOM 119 CE1 HIS A 12 -3.527 -9.594 -8.006 1.00 0.00 C ATOM 120 NE2 HIS A 12 -2.343 -9.943 -7.538 1.00 0.00 N ATOM 0 HA HIS A 12 -2.779 -9.414 -2.956 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.066 -8.422 -4.624 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.514 -7.673 -4.305 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.455 -9.827 -5.536 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -3.859 -9.701 -9.028 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -1.589 -10.358 -8.084 1.00 0.00 H new ATOM 129 N PHE A 13 -4.419 -8.682 -1.235 1.00 0.00 N ATOM 130 CA PHE A 13 -5.323 -8.403 -0.125 1.00 0.00 C ATOM 131 C PHE A 13 -5.231 -6.939 0.296 1.00 0.00 C ATOM 132 O PHE A 13 -4.343 -6.210 -0.143 1.00 0.00 O ATOM 133 CB PHE A 13 -4.999 -9.309 1.064 1.00 0.00 C ATOM 134 CG PHE A 13 -3.621 -9.097 1.622 1.00 0.00 C ATOM 135 CD1 PHE A 13 -2.543 -9.819 1.134 1.00 0.00 C ATOM 136 CD2 PHE A 13 -3.403 -8.176 2.634 1.00 0.00 C ATOM 137 CE1 PHE A 13 -1.273 -9.626 1.645 1.00 0.00 C ATOM 138 CE2 PHE A 13 -2.135 -7.979 3.148 1.00 0.00 C ATOM 139 CZ PHE A 13 -1.070 -8.705 2.654 1.00 0.00 C ATOM 0 H PHE A 13 -3.480 -8.302 -1.120 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.341 -8.604 -0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.732 -9.136 1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.101 -10.350 0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.697 -10.541 0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.233 -7.606 3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.441 -10.194 1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.978 -7.257 3.936 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.079 -8.553 3.056 1.00 0.00 H new ATOM 149 N SER A 14 -6.158 -6.517 1.151 1.00 0.00 N ATOM 150 CA SER A 14 -6.185 -5.140 1.629 1.00 0.00 C ATOM 151 C SER A 14 -5.936 -5.082 3.133 1.00 0.00 C ATOM 152 O SER A 14 -6.217 -6.036 3.858 1.00 0.00 O ATOM 153 CB SER A 14 -7.530 -4.489 1.298 1.00 0.00 C ATOM 154 OG SER A 14 -8.590 -5.132 1.984 1.00 0.00 O ATOM 0 H SER A 14 -6.899 -7.109 1.526 1.00 0.00 H new ATOM 0 HA SER A 14 -5.390 -4.591 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.504 -3.434 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.706 -4.537 0.223 1.00 0.00 H new ATOM 0 HG SER A 14 -9.352 -4.520 2.056 1.00 0.00 H new ATOM 160 N VAL A 15 -5.405 -3.954 3.596 1.00 0.00 N ATOM 161 CA VAL A 15 -5.119 -3.770 5.014 1.00 0.00 C ATOM 162 C VAL A 15 -6.014 -2.695 5.620 1.00 0.00 C ATOM 163 O VAL A 15 -6.036 -1.557 5.154 1.00 0.00 O ATOM 164 CB VAL A 15 -3.645 -3.383 5.242 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.360 -3.221 6.728 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.721 -4.421 4.624 1.00 0.00 C ATOM 0 H VAL A 15 -5.164 -3.155 3.010 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.318 -4.723 5.504 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.458 -2.427 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.314 -2.948 6.870 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.999 -2.438 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.563 -4.161 7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.684 -4.132 4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.907 -5.392 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.909 -4.483 3.552 1.00 0.00 H new ATOM 176 N GLU A 16 -6.751 -3.066 6.663 1.00 0.00 N ATOM 177 CA GLU A 16 -7.649 -2.133 7.333 1.00 0.00 C ATOM 178 C GLU A 16 -7.119 -1.766 8.716 1.00 0.00 C ATOM 179 O GLU A 16 -6.657 -2.627 9.465 1.00 0.00 O ATOM 180 CB GLU A 16 -9.049 -2.738 7.456 1.00 0.00 C ATOM 181 CG GLU A 16 -9.436 -3.621 6.282 1.00 0.00 C ATOM 182 CD GLU A 16 -10.863 -4.126 6.377 1.00 0.00 C ATOM 183 OE1 GLU A 16 -11.703 -3.420 6.973 1.00 0.00 O ATOM 184 OE2 GLU A 16 -11.140 -5.226 5.855 1.00 0.00 O ATOM 0 H GLU A 16 -6.744 -4.005 7.061 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.704 -1.226 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.103 -3.324 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.777 -1.932 7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.314 -3.061 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.756 -4.472 6.232 1.00 0.00 H new ATOM 191 N LEU A 17 -7.188 -0.481 9.047 1.00 0.00 N ATOM 192 CA LEU A 17 -6.715 0.002 10.340 1.00 0.00 C ATOM 193 C LEU A 17 -7.390 1.319 10.709 1.00 0.00 C ATOM 194 O LEU A 17 -7.795 2.087 9.837 1.00 0.00 O ATOM 195 CB LEU A 17 -5.196 0.184 10.313 1.00 0.00 C ATOM 196 CG LEU A 17 -4.377 -1.057 9.956 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.920 -0.688 9.728 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.498 -2.108 11.050 1.00 0.00 C ATOM 0 H LEU A 17 -7.567 0.245 8.438 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.973 -0.741 11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.957 0.971 9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.875 0.537 11.293 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.773 -1.476 9.031 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.353 -1.584 9.475 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.850 0.029 8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.511 -0.244 10.635 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.909 -2.984 10.779 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.129 -1.699 11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.543 -2.395 11.165 1.00 0.00 H new ATOM 210 N VAL A 18 -7.506 1.574 12.009 1.00 0.00 N ATOM 211 CA VAL A 18 -8.129 2.800 12.494 1.00 0.00 C ATOM 212 C VAL A 18 -7.079 3.805 12.955 1.00 0.00 C ATOM 213 O VAL A 18 -6.316 3.538 13.884 1.00 0.00 O ATOM 214 CB VAL A 18 -9.097 2.515 13.658 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.673 3.813 14.204 1.00 0.00 C ATOM 216 CG2 VAL A 18 -10.207 1.577 13.209 1.00 0.00 C ATOM 0 H VAL A 18 -7.177 0.948 12.744 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.690 3.222 11.660 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.541 2.027 14.459 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.354 3.592 15.025 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.863 4.447 14.565 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.215 4.332 13.413 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.882 1.386 14.043 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.762 2.036 12.391 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.773 0.636 12.870 1.00 0.00 H new ATOM 226 N ARG A 19 -7.046 4.961 12.301 1.00 0.00 N ATOM 227 CA ARG A 19 -6.089 6.006 12.643 1.00 0.00 C ATOM 228 C ARG A 19 -5.888 6.085 14.154 1.00 0.00 C ATOM 229 O ARG A 19 -6.728 6.624 14.874 1.00 0.00 O ATOM 230 CB ARG A 19 -6.565 7.358 12.109 1.00 0.00 C ATOM 231 CG ARG A 19 -5.513 8.452 12.196 1.00 0.00 C ATOM 232 CD ARG A 19 -5.946 9.702 11.446 1.00 0.00 C ATOM 233 NE ARG A 19 -6.733 10.599 12.288 1.00 0.00 N ATOM 234 CZ ARG A 19 -6.223 11.292 13.301 1.00 0.00 C ATOM 235 NH1 ARG A 19 -4.935 11.191 13.596 1.00 0.00 N ATOM 236 NH2 ARG A 19 -7.003 12.088 14.020 1.00 0.00 N ATOM 0 H ARG A 19 -7.671 5.198 11.531 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.135 5.756 12.179 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.870 7.241 11.069 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.448 7.669 12.667 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.329 8.699 13.242 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.572 8.087 11.784 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.065 10.229 11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.533 9.416 10.573 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.728 10.699 12.088 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.332 10.580 13.045 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.547 11.724 14.374 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.995 12.169 13.796 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.611 12.620 14.797 1.00 0.00 H new ATOM 250 N GLY A 20 -4.770 5.544 14.627 1.00 0.00 N ATOM 251 CA GLY A 20 -4.479 5.564 16.049 1.00 0.00 C ATOM 252 C GLY A 20 -4.017 6.926 16.527 1.00 0.00 C ATOM 253 O GLY A 20 -4.658 7.940 16.250 1.00 0.00 O ATOM 0 H GLY A 20 -4.060 5.092 14.051 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.371 5.271 16.603 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.709 4.825 16.270 1.00 0.00 H new ATOM 257 N TYR A 21 -2.902 6.951 17.249 1.00 0.00 N ATOM 258 CA TYR A 21 -2.357 8.198 17.771 1.00 0.00 C ATOM 259 C TYR A 21 -1.190 8.683 16.916 1.00 0.00 C ATOM 260 O TYR A 21 -0.172 8.003 16.794 1.00 0.00 O ATOM 261 CB TYR A 21 -1.901 8.013 19.219 1.00 0.00 C ATOM 262 CG TYR A 21 -0.658 7.163 19.358 1.00 0.00 C ATOM 263 CD1 TYR A 21 -0.722 5.780 19.235 1.00 0.00 C ATOM 264 CD2 TYR A 21 0.579 7.742 19.612 1.00 0.00 C ATOM 265 CE1 TYR A 21 0.411 4.999 19.363 1.00 0.00 C ATOM 266 CE2 TYR A 21 1.717 6.969 19.739 1.00 0.00 C ATOM 267 CZ TYR A 21 1.628 5.598 19.614 1.00 0.00 C ATOM 268 OH TYR A 21 2.758 4.823 19.740 1.00 0.00 O ATOM 0 H TYR A 21 -2.358 6.121 17.486 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.145 8.951 17.739 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.713 8.992 19.660 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.709 7.556 19.790 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.673 5.308 19.036 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.652 8.815 19.712 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.344 3.925 19.267 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.671 7.435 19.935 1.00 0.00 H new ATOM 0 HH TYR A 21 3.532 5.399 19.914 1.00 0.00 H new ATOM 278 N ALA A 22 -1.348 9.863 16.326 1.00 0.00 N ATOM 279 CA ALA A 22 -0.307 10.441 15.485 1.00 0.00 C ATOM 280 C ALA A 22 -0.156 9.660 14.184 1.00 0.00 C ATOM 281 O ALA A 22 0.956 9.347 13.762 1.00 0.00 O ATOM 282 CB ALA A 22 1.016 10.483 16.234 1.00 0.00 C ATOM 0 H ALA A 22 -2.186 10.437 16.415 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.602 11.460 15.235 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.783 10.917 15.593 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.907 11.091 17.132 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.308 9.471 16.515 1.00 0.00 H new ATOM 288 N GLY A 23 -1.284 9.348 13.552 1.00 0.00 N ATOM 289 CA GLY A 23 -1.254 8.604 12.306 1.00 0.00 C ATOM 290 C GLY A 23 -1.303 7.105 12.524 1.00 0.00 C ATOM 291 O GLY A 23 -1.710 6.638 13.587 1.00 0.00 O ATOM 0 H GLY A 23 -2.217 9.597 13.880 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.098 8.906 11.686 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.348 8.859 11.756 1.00 0.00 H new ATOM 295 N PHE A 24 -0.888 6.348 11.513 1.00 0.00 N ATOM 296 CA PHE A 24 -0.888 4.892 11.598 1.00 0.00 C ATOM 297 C PHE A 24 0.498 4.368 11.961 1.00 0.00 C ATOM 298 O PHE A 24 0.675 3.179 12.221 1.00 0.00 O ATOM 299 CB PHE A 24 -1.345 4.283 10.271 1.00 0.00 C ATOM 300 CG PHE A 24 -2.797 4.521 9.969 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.766 3.643 10.426 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.192 5.623 9.228 1.00 0.00 C ATOM 303 CE1 PHE A 24 -5.103 3.859 10.151 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.528 5.845 8.950 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.484 4.961 9.411 1.00 0.00 C ATOM 0 H PHE A 24 -0.548 6.719 10.626 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.585 4.599 12.383 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.742 4.698 9.463 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.158 3.209 10.290 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.473 2.779 11.004 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.448 6.316 8.864 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.849 3.167 10.514 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.824 6.709 8.373 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.528 5.131 9.193 1.00 0.00 H new ATOM 315 N GLY A 25 1.478 5.266 11.977 1.00 0.00 N ATOM 316 CA GLY A 25 2.836 4.876 12.309 1.00 0.00 C ATOM 317 C GLY A 25 3.460 3.989 11.250 1.00 0.00 C ATOM 318 O GLY A 25 4.323 3.163 11.550 1.00 0.00 O ATOM 0 H GLY A 25 1.356 6.256 11.766 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.447 5.770 12.436 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.837 4.351 13.264 1.00 0.00 H new ATOM 322 N LEU A 26 3.021 4.156 10.007 1.00 0.00 N ATOM 323 CA LEU A 26 3.541 3.362 8.899 1.00 0.00 C ATOM 324 C LEU A 26 4.462 4.197 8.015 1.00 0.00 C ATOM 325 O LEU A 26 4.095 5.286 7.571 1.00 0.00 O ATOM 326 CB LEU A 26 2.389 2.798 8.065 1.00 0.00 C ATOM 327 CG LEU A 26 2.729 1.606 7.170 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.183 0.422 8.008 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.532 1.226 6.311 1.00 0.00 C ATOM 0 H LEU A 26 2.307 4.834 9.741 1.00 0.00 H new ATOM 0 HA LEU A 26 4.118 2.537 9.316 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.588 2.501 8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.996 3.598 7.437 1.00 0.00 H new ATOM 0 HG LEU A 26 3.548 1.893 6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.421 -0.417 7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.069 0.699 8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.385 0.134 8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.792 0.376 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.693 0.958 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.252 2.072 5.683 1.00 0.00 H new ATOM 341 N THR A 27 5.660 3.680 7.762 1.00 0.00 N ATOM 342 CA THR A 27 6.633 4.376 6.931 1.00 0.00 C ATOM 343 C THR A 27 7.069 3.512 5.753 1.00 0.00 C ATOM 344 O THR A 27 7.312 2.314 5.905 1.00 0.00 O ATOM 345 CB THR A 27 7.877 4.782 7.743 1.00 0.00 C ATOM 346 OG1 THR A 27 7.495 5.623 8.837 1.00 0.00 O ATOM 347 CG2 THR A 27 8.883 5.511 6.864 1.00 0.00 C ATOM 0 H THR A 27 5.980 2.780 8.121 1.00 0.00 H new ATOM 0 HA THR A 27 6.143 5.275 6.557 1.00 0.00 H new ATOM 0 HB THR A 27 8.344 3.875 8.128 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.291 5.875 9.349 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.753 5.788 7.459 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.194 4.858 6.049 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.423 6.410 6.454 1.00 0.00 H new ATOM 355 N LEU A 28 7.166 4.127 4.579 1.00 0.00 N ATOM 356 CA LEU A 28 7.574 3.413 3.374 1.00 0.00 C ATOM 357 C LEU A 28 8.978 3.827 2.945 1.00 0.00 C ATOM 358 O LEU A 28 9.318 5.009 2.952 1.00 0.00 O ATOM 359 CB LEU A 28 6.583 3.680 2.239 1.00 0.00 C ATOM 360 CG LEU A 28 5.370 2.751 2.176 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.199 3.448 1.501 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.721 1.464 1.444 1.00 0.00 C ATOM 0 H LEU A 28 6.968 5.117 4.436 1.00 0.00 H new ATOM 0 HA LEU A 28 7.582 2.346 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.226 4.706 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.118 3.611 1.292 1.00 0.00 H new ATOM 0 HG LEU A 28 5.077 2.497 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.345 2.772 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.932 4.341 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.480 3.732 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.846 0.815 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.040 1.698 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.529 0.955 1.970 1.00 0.00 H new ATOM 374 N GLY A 29 9.791 2.843 2.570 1.00 0.00 N ATOM 375 CA GLY A 29 11.149 3.125 2.141 1.00 0.00 C ATOM 376 C GLY A 29 11.412 2.678 0.717 1.00 0.00 C ATOM 377 O GLY A 29 11.457 1.481 0.433 1.00 0.00 O ATOM 0 H GLY A 29 9.533 1.856 2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.338 4.195 2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.849 2.626 2.810 1.00 0.00 H new ATOM 381 N GLY A 30 11.584 3.641 -0.183 1.00 0.00 N ATOM 382 CA GLY A 30 11.839 3.320 -1.575 1.00 0.00 C ATOM 383 C GLY A 30 10.737 3.807 -2.494 1.00 0.00 C ATOM 384 O GLY A 30 10.382 4.985 -2.480 1.00 0.00 O ATOM 0 H GLY A 30 11.551 4.639 0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.786 3.766 -1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.946 2.241 -1.682 1.00 0.00 H new ATOM 388 N GLY A 31 10.194 2.897 -3.298 1.00 0.00 N ATOM 389 CA GLY A 31 9.133 3.260 -4.219 1.00 0.00 C ATOM 390 C GLY A 31 9.649 4.003 -5.435 1.00 0.00 C ATOM 391 O GLY A 31 10.857 4.075 -5.660 1.00 0.00 O ATOM 0 H GLY A 31 10.470 1.916 -3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.612 2.358 -4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.403 3.881 -3.700 1.00 0.00 H new ATOM 395 N ARG A 32 8.732 4.554 -6.224 1.00 0.00 N ATOM 396 CA ARG A 32 9.101 5.291 -7.426 1.00 0.00 C ATOM 397 C ARG A 32 9.475 6.732 -7.087 1.00 0.00 C ATOM 398 O ARG A 32 8.606 7.562 -6.821 1.00 0.00 O ATOM 399 CB ARG A 32 7.950 5.275 -8.433 1.00 0.00 C ATOM 400 CG ARG A 32 8.337 5.795 -9.808 1.00 0.00 C ATOM 401 CD ARG A 32 7.214 5.599 -10.814 1.00 0.00 C ATOM 402 NE ARG A 32 7.148 4.224 -11.301 1.00 0.00 N ATOM 403 CZ ARG A 32 7.901 3.757 -12.290 1.00 0.00 C ATOM 404 NH1 ARG A 32 8.773 4.552 -12.896 1.00 0.00 N ATOM 405 NH2 ARG A 32 7.783 2.493 -12.676 1.00 0.00 N ATOM 0 H ARG A 32 7.728 4.504 -6.052 1.00 0.00 H new ATOM 0 HA ARG A 32 9.969 4.803 -7.869 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.578 4.255 -8.531 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.129 5.877 -8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.586 6.854 -9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.232 5.278 -10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.263 5.866 -10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.360 6.275 -11.656 1.00 0.00 H new ATOM 0 HE ARG A 32 6.487 3.587 -10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.866 5.524 -12.603 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.350 4.191 -13.655 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.113 1.879 -12.213 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.362 2.136 -13.436 1.00 0.00 H new ATOM 419 N ASP A 33 10.772 7.019 -7.098 1.00 0.00 N ATOM 420 CA ASP A 33 11.260 8.359 -6.792 1.00 0.00 C ATOM 421 C ASP A 33 12.106 8.904 -7.940 1.00 0.00 C ATOM 422 O ASP A 33 12.679 8.142 -8.719 1.00 0.00 O ATOM 423 CB ASP A 33 12.080 8.343 -5.501 1.00 0.00 C ATOM 424 CG ASP A 33 12.193 9.717 -4.871 1.00 0.00 C ATOM 425 OD1 ASP A 33 11.147 10.286 -4.494 1.00 0.00 O ATOM 426 OD2 ASP A 33 13.328 10.224 -4.753 1.00 0.00 O ATOM 0 H ASP A 33 11.504 6.343 -7.315 1.00 0.00 H new ATOM 0 HA ASP A 33 10.398 9.012 -6.658 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.620 7.657 -4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.078 7.960 -5.713 1.00 0.00 H new ATOM 431 N VAL A 34 12.178 10.227 -8.038 1.00 0.00 N ATOM 432 CA VAL A 34 12.953 10.874 -9.090 1.00 0.00 C ATOM 433 C VAL A 34 14.439 10.570 -8.944 1.00 0.00 C ATOM 434 O VAL A 34 15.219 10.770 -9.875 1.00 0.00 O ATOM 435 CB VAL A 34 12.749 12.401 -9.078 1.00 0.00 C ATOM 436 CG1 VAL A 34 11.398 12.764 -9.676 1.00 0.00 C ATOM 437 CG2 VAL A 34 12.879 12.945 -7.664 1.00 0.00 C ATOM 0 H VAL A 34 11.709 10.872 -7.402 1.00 0.00 H new ATOM 0 HA VAL A 34 12.595 10.474 -10.039 1.00 0.00 H new ATOM 0 HB VAL A 34 13.526 12.859 -9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.272 13.847 -9.659 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.349 12.409 -10.705 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.605 12.297 -9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.732 14.025 -7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 34 12.126 12.483 -7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 34 13.872 12.718 -7.277 1.00 0.00 H new ATOM 447 N ALA A 35 14.826 10.084 -7.768 1.00 0.00 N ATOM 448 CA ALA A 35 16.219 9.749 -7.501 1.00 0.00 C ATOM 449 C ALA A 35 16.518 8.302 -7.878 1.00 0.00 C ATOM 450 O ALA A 35 17.659 7.951 -8.172 1.00 0.00 O ATOM 451 CB ALA A 35 16.548 9.994 -6.036 1.00 0.00 C ATOM 0 H ALA A 35 14.194 9.914 -6.986 1.00 0.00 H new ATOM 0 HA ALA A 35 16.847 10.394 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 35 17.591 9.740 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 35 16.382 11.044 -5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.906 9.374 -5.410 1.00 0.00 H new ATOM 457 N GLY A 36 15.484 7.467 -7.865 1.00 0.00 N ATOM 458 CA GLY A 36 15.657 6.067 -8.207 1.00 0.00 C ATOM 459 C GLY A 36 14.337 5.331 -8.324 1.00 0.00 C ATOM 460 O GLY A 36 13.296 5.841 -7.911 1.00 0.00 O ATOM 0 H GLY A 36 14.530 7.735 -7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.197 5.991 -9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.273 5.584 -7.448 1.00 0.00 H new ATOM 464 N ASP A 37 14.380 4.130 -8.890 1.00 0.00 N ATOM 465 CA ASP A 37 13.178 3.322 -9.061 1.00 0.00 C ATOM 466 C ASP A 37 13.257 2.046 -8.229 1.00 0.00 C ATOM 467 O ASP A 37 14.101 1.183 -8.474 1.00 0.00 O ATOM 468 CB ASP A 37 12.978 2.972 -10.537 1.00 0.00 C ATOM 469 CG ASP A 37 13.969 1.933 -11.024 1.00 0.00 C ATOM 470 OD1 ASP A 37 15.172 2.069 -10.717 1.00 0.00 O ATOM 471 OD2 ASP A 37 13.540 0.982 -11.712 1.00 0.00 O ATOM 0 H ASP A 37 15.234 3.694 -9.238 1.00 0.00 H new ATOM 0 HA ASP A 37 12.325 3.907 -8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.964 2.601 -10.685 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.078 3.875 -11.139 1.00 0.00 H new ATOM 476 N THR A 38 12.373 1.932 -7.242 1.00 0.00 N ATOM 477 CA THR A 38 12.345 0.763 -6.373 1.00 0.00 C ATOM 478 C THR A 38 10.917 0.416 -5.965 1.00 0.00 C ATOM 479 O THR A 38 10.042 1.278 -5.885 1.00 0.00 O ATOM 480 CB THR A 38 13.189 0.987 -5.104 1.00 0.00 C ATOM 481 OG1 THR A 38 13.109 2.357 -4.697 1.00 0.00 O ATOM 482 CG2 THR A 38 14.642 0.609 -5.347 1.00 0.00 C ATOM 0 H THR A 38 11.667 2.636 -7.025 1.00 0.00 H new ATOM 0 HA THR A 38 12.769 -0.065 -6.942 1.00 0.00 H new ATOM 0 HB THR A 38 12.792 0.350 -4.314 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.243 2.728 -4.966 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.218 0.776 -4.437 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.702 -0.443 -5.627 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.048 1.223 -6.151 1.00 0.00 H new ATOM 490 N PRO A 39 10.675 -0.876 -5.701 1.00 0.00 N ATOM 491 CA PRO A 39 9.354 -1.367 -5.296 1.00 0.00 C ATOM 492 C PRO A 39 8.970 -0.907 -3.894 1.00 0.00 C ATOM 493 O PRO A 39 9.720 -1.105 -2.937 1.00 0.00 O ATOM 494 CB PRO A 39 9.514 -2.889 -5.334 1.00 0.00 C ATOM 495 CG PRO A 39 10.971 -3.122 -5.131 1.00 0.00 C ATOM 496 CD PRO A 39 11.671 -1.958 -5.777 1.00 0.00 C ATOM 0 HA PRO A 39 8.563 -0.992 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.924 -3.369 -4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.176 -3.299 -6.286 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.212 -3.182 -4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.282 -4.064 -5.583 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.588 -1.697 -5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.948 -2.178 -6.808 1.00 0.00 H new ATOM 504 N LEU A 40 7.797 -0.293 -3.778 1.00 0.00 N ATOM 505 CA LEU A 40 7.313 0.195 -2.492 1.00 0.00 C ATOM 506 C LEU A 40 7.157 -0.951 -1.498 1.00 0.00 C ATOM 507 O LEU A 40 6.551 -1.977 -1.808 1.00 0.00 O ATOM 508 CB LEU A 40 5.976 0.917 -2.669 1.00 0.00 C ATOM 509 CG LEU A 40 6.056 2.394 -3.055 1.00 0.00 C ATOM 510 CD1 LEU A 40 4.665 2.960 -3.293 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.780 3.188 -1.977 1.00 0.00 C ATOM 0 H LEU A 40 7.164 -0.122 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 40 8.048 0.896 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.402 0.393 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.416 0.836 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 40 6.623 2.477 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.742 4.012 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.181 2.410 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.073 2.864 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.828 4.237 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.241 3.097 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.791 2.799 -1.855 1.00 0.00 H new ATOM 523 N ALA A 41 7.706 -0.769 -0.302 1.00 0.00 N ATOM 524 CA ALA A 41 7.625 -1.786 0.739 1.00 0.00 C ATOM 525 C ALA A 41 7.756 -1.165 2.125 1.00 0.00 C ATOM 526 O ALA A 41 8.440 -0.156 2.302 1.00 0.00 O ATOM 527 CB ALA A 41 8.698 -2.844 0.529 1.00 0.00 C ATOM 0 H ALA A 41 8.212 0.074 -0.030 1.00 0.00 H new ATOM 0 HA ALA A 41 6.646 -2.260 0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.625 -3.597 1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.557 -3.318 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.682 -2.376 0.565 1.00 0.00 H new ATOM 533 N VAL A 42 7.097 -1.773 3.107 1.00 0.00 N ATOM 534 CA VAL A 42 7.141 -1.279 4.478 1.00 0.00 C ATOM 535 C VAL A 42 8.578 -1.130 4.963 1.00 0.00 C ATOM 536 O VAL A 42 9.403 -2.026 4.777 1.00 0.00 O ATOM 537 CB VAL A 42 6.381 -2.216 5.436 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.527 -1.742 6.874 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.915 -2.306 5.042 1.00 0.00 C ATOM 0 H VAL A 42 6.526 -2.609 2.978 1.00 0.00 H new ATOM 0 HA VAL A 42 6.658 -0.302 4.478 1.00 0.00 H new ATOM 0 HB VAL A 42 6.815 -3.213 5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.984 -2.416 7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.582 -1.735 7.149 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.121 -0.735 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.394 -2.972 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.465 -1.314 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.834 -2.696 4.027 1.00 0.00 H new ATOM 549 N ARG A 43 8.872 0.006 5.586 1.00 0.00 N ATOM 550 CA ARG A 43 10.211 0.273 6.098 1.00 0.00 C ATOM 551 C ARG A 43 10.249 0.140 7.617 1.00 0.00 C ATOM 552 O ARG A 43 10.818 -0.809 8.154 1.00 0.00 O ATOM 553 CB ARG A 43 10.668 1.673 5.685 1.00 0.00 C ATOM 554 CG ARG A 43 12.143 1.934 5.946 1.00 0.00 C ATOM 555 CD ARG A 43 12.393 2.323 7.394 1.00 0.00 C ATOM 556 NE ARG A 43 13.789 2.677 7.633 1.00 0.00 N ATOM 557 CZ ARG A 43 14.285 2.943 8.837 1.00 0.00 C ATOM 558 NH1 ARG A 43 13.501 2.894 9.905 1.00 0.00 N ATOM 559 NH2 ARG A 43 15.567 3.257 8.973 1.00 0.00 N ATOM 0 H ARG A 43 8.201 0.757 5.749 1.00 0.00 H new ATOM 0 HA ARG A 43 10.890 -0.464 5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.465 1.814 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.076 2.413 6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.720 1.042 5.703 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.495 2.729 5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.755 3.166 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.113 1.495 8.045 1.00 0.00 H new ATOM 0 HE ARG A 43 14.418 2.723 6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.515 2.652 9.803 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.883 3.098 10.828 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.173 3.294 8.153 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.947 3.461 9.897 1.00 0.00 H new ATOM 573 N GLY A 44 9.639 1.101 8.305 1.00 0.00 N ATOM 574 CA GLY A 44 9.615 1.073 9.756 1.00 0.00 C ATOM 575 C GLY A 44 8.208 0.965 10.310 1.00 0.00 C ATOM 576 O GLY A 44 7.275 1.568 9.779 1.00 0.00 O ATOM 0 H GLY A 44 9.161 1.898 7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.207 0.229 10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.086 1.977 10.142 1.00 0.00 H new ATOM 580 N LEU A 45 8.054 0.194 11.381 1.00 0.00 N ATOM 581 CA LEU A 45 6.750 0.007 12.008 1.00 0.00 C ATOM 582 C LEU A 45 6.708 0.665 13.384 1.00 0.00 C ATOM 583 O LEU A 45 7.302 0.166 14.340 1.00 0.00 O ATOM 584 CB LEU A 45 6.431 -1.483 12.133 1.00 0.00 C ATOM 585 CG LEU A 45 5.896 -2.163 10.872 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.932 -3.676 11.024 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.482 -1.689 10.570 1.00 0.00 C ATOM 0 H LEU A 45 8.816 -0.312 11.833 1.00 0.00 H new ATOM 0 HA LEU A 45 5.999 0.481 11.376 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.337 -2.003 12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.698 -1.612 12.930 1.00 0.00 H new ATOM 0 HG LEU A 45 6.537 -1.888 10.035 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.547 -4.142 10.117 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.959 -4.001 11.191 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.315 -3.971 11.873 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.117 -2.183 9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.829 -1.934 11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.485 -0.610 10.416 1.00 0.00 H new ATOM 599 N LEU A 46 6.000 1.785 13.477 1.00 0.00 N ATOM 600 CA LEU A 46 5.877 2.510 14.736 1.00 0.00 C ATOM 601 C LEU A 46 5.497 1.567 15.873 1.00 0.00 C ATOM 602 O LEU A 46 4.372 1.070 15.932 1.00 0.00 O ATOM 603 CB LEU A 46 4.833 3.621 14.609 1.00 0.00 C ATOM 604 CG LEU A 46 5.057 4.856 15.482 1.00 0.00 C ATOM 605 CD1 LEU A 46 4.812 4.526 16.946 1.00 0.00 C ATOM 606 CD2 LEU A 46 6.464 5.401 15.285 1.00 0.00 C ATOM 0 H LEU A 46 5.502 2.211 12.695 1.00 0.00 H new ATOM 0 HA LEU A 46 6.845 2.955 14.966 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.795 3.939 13.567 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.856 3.203 14.850 1.00 0.00 H new ATOM 0 HG LEU A 46 4.346 5.625 15.180 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.976 5.417 17.552 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.785 4.184 17.075 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.499 3.741 17.262 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.605 6.280 15.914 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.192 4.637 15.560 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.604 5.677 14.240 1.00 0.00 H new ATOM 618 N LYS A 47 6.441 1.326 16.776 1.00 0.00 N ATOM 619 CA LYS A 47 6.205 0.446 17.914 1.00 0.00 C ATOM 620 C LYS A 47 4.850 0.733 18.553 1.00 0.00 C ATOM 621 O LYS A 47 4.339 1.850 18.471 1.00 0.00 O ATOM 622 CB LYS A 47 7.316 0.613 18.954 1.00 0.00 C ATOM 623 CG LYS A 47 7.040 -0.109 20.261 1.00 0.00 C ATOM 624 CD LYS A 47 7.164 -1.615 20.103 1.00 0.00 C ATOM 625 CE LYS A 47 6.644 -2.349 21.329 1.00 0.00 C ATOM 626 NZ LYS A 47 6.529 -3.815 21.091 1.00 0.00 N ATOM 0 H LYS A 47 7.378 1.728 16.742 1.00 0.00 H new ATOM 0 HA LYS A 47 6.206 -0.582 17.552 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.252 0.244 18.535 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.455 1.675 19.158 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.738 0.237 21.023 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.038 0.140 20.611 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.608 -1.936 19.222 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.208 -1.879 19.935 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.313 -2.169 22.171 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.669 -1.948 21.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.171 -4.279 21.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.871 -3.988 20.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.464 -4.202 20.852 1.00 0.00 H new ATOM 640 N ASP A 48 4.275 -0.281 19.189 1.00 0.00 N ATOM 641 CA ASP A 48 2.980 -0.137 19.844 1.00 0.00 C ATOM 642 C ASP A 48 2.016 0.662 18.972 1.00 0.00 C ATOM 643 O ASP A 48 1.350 1.582 19.447 1.00 0.00 O ATOM 644 CB ASP A 48 3.144 0.547 21.202 1.00 0.00 C ATOM 645 CG ASP A 48 1.893 0.454 22.053 1.00 0.00 C ATOM 646 OD1 ASP A 48 1.346 -0.662 22.184 1.00 0.00 O ATOM 647 OD2 ASP A 48 1.461 1.495 22.589 1.00 0.00 O ATOM 0 H ASP A 48 4.685 -1.212 19.265 1.00 0.00 H new ATOM 0 HA ASP A 48 2.565 -1.133 19.996 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.978 0.092 21.736 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.398 1.596 21.049 1.00 0.00 H new ATOM 652 N GLY A 49 1.947 0.305 17.693 1.00 0.00 N ATOM 653 CA GLY A 49 1.064 0.999 16.775 1.00 0.00 C ATOM 654 C GLY A 49 0.023 0.080 16.166 1.00 0.00 C ATOM 655 O GLY A 49 0.035 -1.133 16.377 1.00 0.00 O ATOM 0 H GLY A 49 2.488 -0.453 17.276 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.563 1.812 17.301 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.655 1.451 15.979 1.00 0.00 H new ATOM 659 N PRO A 50 -0.905 0.662 15.392 1.00 0.00 N ATOM 660 CA PRO A 50 -1.976 -0.094 14.736 1.00 0.00 C ATOM 661 C PRO A 50 -1.453 -0.982 13.612 1.00 0.00 C ATOM 662 O PRO A 50 -1.862 -2.135 13.478 1.00 0.00 O ATOM 663 CB PRO A 50 -2.889 0.999 14.174 1.00 0.00 C ATOM 664 CG PRO A 50 -1.999 2.180 13.994 1.00 0.00 C ATOM 665 CD PRO A 50 -0.980 2.103 15.097 1.00 0.00 C ATOM 0 HA PRO A 50 -2.477 -0.774 15.425 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.337 0.693 13.229 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.708 1.221 14.858 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.518 2.160 13.016 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.567 3.109 14.051 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.015 2.499 14.781 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.289 2.677 15.971 1.00 0.00 H new ATOM 673 N ALA A 51 -0.547 -0.438 12.806 1.00 0.00 N ATOM 674 CA ALA A 51 0.033 -1.182 11.695 1.00 0.00 C ATOM 675 C ALA A 51 0.967 -2.278 12.197 1.00 0.00 C ATOM 676 O ALA A 51 1.150 -3.300 11.536 1.00 0.00 O ATOM 677 CB ALA A 51 0.776 -0.240 10.759 1.00 0.00 C ATOM 0 H ALA A 51 -0.199 0.516 12.902 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.779 -1.657 11.145 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.204 -0.810 9.934 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.083 0.504 10.366 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.574 0.262 11.306 1.00 0.00 H new ATOM 683 N GLN A 52 1.556 -2.057 13.368 1.00 0.00 N ATOM 684 CA GLN A 52 2.473 -3.026 13.956 1.00 0.00 C ATOM 685 C GLN A 52 1.715 -4.059 14.785 1.00 0.00 C ATOM 686 O GLN A 52 2.063 -5.239 14.792 1.00 0.00 O ATOM 687 CB GLN A 52 3.509 -2.316 14.829 1.00 0.00 C ATOM 688 CG GLN A 52 4.411 -3.266 15.599 1.00 0.00 C ATOM 689 CD GLN A 52 5.474 -3.899 14.723 1.00 0.00 C ATOM 690 OE1 GLN A 52 6.570 -3.359 14.568 1.00 0.00 O ATOM 691 NE2 GLN A 52 5.156 -5.052 14.145 1.00 0.00 N ATOM 0 H GLN A 52 1.415 -1.216 13.928 1.00 0.00 H new ATOM 0 HA GLN A 52 2.985 -3.542 13.144 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.125 -1.675 14.198 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.992 -1.666 15.536 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.892 -2.724 16.414 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.804 -4.050 16.052 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.236 -5.464 14.301 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.832 -5.525 13.545 1.00 0.00 H new ATOM 700 N ARG A 53 0.678 -3.605 15.482 1.00 0.00 N ATOM 701 CA ARG A 53 -0.127 -4.490 16.315 1.00 0.00 C ATOM 702 C ARG A 53 -0.863 -5.519 15.463 1.00 0.00 C ATOM 703 O ARG A 53 -0.827 -6.717 15.749 1.00 0.00 O ATOM 704 CB ARG A 53 -1.133 -3.678 17.134 1.00 0.00 C ATOM 705 CG ARG A 53 -0.575 -3.173 18.455 1.00 0.00 C ATOM 706 CD ARG A 53 -1.600 -2.341 19.211 1.00 0.00 C ATOM 707 NE ARG A 53 -2.758 -3.134 19.615 1.00 0.00 N ATOM 708 CZ ARG A 53 -3.913 -2.604 20.001 1.00 0.00 C ATOM 709 NH1 ARG A 53 -4.064 -1.287 20.034 1.00 0.00 N ATOM 710 NH2 ARG A 53 -4.921 -3.391 20.354 1.00 0.00 N ATOM 0 H ARG A 53 0.376 -2.631 15.486 1.00 0.00 H new ATOM 0 HA ARG A 53 0.543 -5.018 16.993 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.468 -2.827 16.542 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.010 -4.294 17.331 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.268 -4.020 19.069 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.316 -2.574 18.269 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.133 -1.905 20.094 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.929 -1.513 18.583 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.675 -4.151 19.600 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.292 -0.678 19.762 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.952 -0.883 20.331 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.810 -4.405 20.329 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.807 -2.982 20.650 1.00 0.00 H new ATOM 724 N CYS A 54 -1.530 -5.045 14.417 1.00 0.00 N ATOM 725 CA CYS A 54 -2.276 -5.924 13.523 1.00 0.00 C ATOM 726 C CYS A 54 -1.369 -7.005 12.942 1.00 0.00 C ATOM 727 O CYS A 54 -1.785 -8.149 12.765 1.00 0.00 O ATOM 728 CB CYS A 54 -2.913 -5.115 12.393 1.00 0.00 C ATOM 729 SG CYS A 54 -1.816 -4.817 10.987 1.00 0.00 S ATOM 0 H CYS A 54 -1.570 -4.057 14.167 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.063 -6.407 14.102 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.802 -5.640 12.042 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.245 -4.156 12.790 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.733 -4.227 11.399 1.00 0.00 H new ATOM 735 N GLY A 55 -0.128 -6.632 12.646 1.00 0.00 N ATOM 736 CA GLY A 55 0.818 -7.581 12.086 1.00 0.00 C ATOM 737 C GLY A 55 0.655 -7.746 10.588 1.00 0.00 C ATOM 738 O GLY A 55 1.640 -7.877 9.861 1.00 0.00 O ATOM 0 H GLY A 55 0.240 -5.691 12.784 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.833 -7.249 12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.688 -8.548 12.571 1.00 0.00 H new ATOM 742 N ARG A 56 -0.591 -7.740 10.125 1.00 0.00 N ATOM 743 CA ARG A 56 -0.879 -7.893 8.704 1.00 0.00 C ATOM 744 C ARG A 56 0.180 -7.194 7.857 1.00 0.00 C ATOM 745 O ARG A 56 0.505 -7.642 6.756 1.00 0.00 O ATOM 746 CB ARG A 56 -2.262 -7.328 8.379 1.00 0.00 C ATOM 747 CG ARG A 56 -3.403 -8.104 9.017 1.00 0.00 C ATOM 748 CD ARG A 56 -4.676 -8.004 8.191 1.00 0.00 C ATOM 749 NE ARG A 56 -4.545 -8.674 6.900 1.00 0.00 N ATOM 750 CZ ARG A 56 -5.434 -8.560 5.920 1.00 0.00 C ATOM 751 NH1 ARG A 56 -6.511 -7.805 6.082 1.00 0.00 N ATOM 752 NH2 ARG A 56 -5.245 -9.202 4.774 1.00 0.00 N ATOM 0 H ARG A 56 -1.417 -7.631 10.713 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.864 -8.957 8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.309 -6.291 8.711 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.398 -7.322 7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.118 -9.151 9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.588 -7.721 10.021 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.504 -8.445 8.746 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.923 -6.954 8.031 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.726 -9.261 6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.659 -7.309 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.192 -7.719 5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.417 -9.783 4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.928 -9.114 4.022 1.00 0.00 H new ATOM 766 N LEU A 57 0.715 -6.094 8.376 1.00 0.00 N ATOM 767 CA LEU A 57 1.737 -5.333 7.667 1.00 0.00 C ATOM 768 C LEU A 57 3.082 -5.432 8.379 1.00 0.00 C ATOM 769 O LEU A 57 3.206 -5.060 9.545 1.00 0.00 O ATOM 770 CB LEU A 57 1.318 -3.866 7.548 1.00 0.00 C ATOM 771 CG LEU A 57 0.504 -3.500 6.306 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.223 -2.005 6.274 1.00 0.00 C ATOM 773 CD2 LEU A 57 1.234 -3.934 5.043 1.00 0.00 C ATOM 0 H LEU A 57 0.458 -5.710 9.285 1.00 0.00 H new ATOM 0 HA LEU A 57 1.843 -5.757 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.735 -3.602 8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.217 -3.250 7.564 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.449 -4.028 6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.357 -1.763 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.341 -1.722 7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.166 -1.458 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.640 -3.666 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.201 -3.434 4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.384 -5.013 5.062 1.00 0.00 H new ATOM 785 N GLU A 58 4.087 -5.935 7.668 1.00 0.00 N ATOM 786 CA GLU A 58 5.423 -6.082 8.233 1.00 0.00 C ATOM 787 C GLU A 58 6.487 -5.620 7.241 1.00 0.00 C ATOM 788 O GLU A 58 6.253 -5.591 6.032 1.00 0.00 O ATOM 789 CB GLU A 58 5.677 -7.538 8.629 1.00 0.00 C ATOM 790 CG GLU A 58 5.396 -8.530 7.512 1.00 0.00 C ATOM 791 CD GLU A 58 5.942 -9.913 7.810 1.00 0.00 C ATOM 792 OE1 GLU A 58 6.149 -10.226 9.001 1.00 0.00 O ATOM 793 OE2 GLU A 58 6.161 -10.682 6.851 1.00 0.00 O ATOM 0 H GLU A 58 4.001 -6.247 6.701 1.00 0.00 H new ATOM 0 HA GLU A 58 5.484 -5.456 9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.715 -7.644 8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.055 -7.786 9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.320 -8.595 7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.835 -8.162 6.585 1.00 0.00 H new ATOM 800 N VAL A 59 7.656 -5.260 7.760 1.00 0.00 N ATOM 801 CA VAL A 59 8.757 -4.801 6.922 1.00 0.00 C ATOM 802 C VAL A 59 9.123 -5.847 5.875 1.00 0.00 C ATOM 803 O VAL A 59 9.435 -6.990 6.206 1.00 0.00 O ATOM 804 CB VAL A 59 10.004 -4.473 7.763 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.166 -4.078 6.864 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.696 -3.371 8.765 1.00 0.00 C ATOM 0 H VAL A 59 7.865 -5.277 8.758 1.00 0.00 H new ATOM 0 HA VAL A 59 8.418 -3.894 6.422 1.00 0.00 H new ATOM 0 HB VAL A 59 10.292 -5.366 8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.038 -3.850 7.476 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.401 -4.902 6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.892 -3.199 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.589 -3.152 9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.382 -2.473 8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.896 -3.697 9.430 1.00 0.00 H new ATOM 816 N GLY A 60 9.084 -5.446 4.607 1.00 0.00 N ATOM 817 CA GLY A 60 9.415 -6.361 3.530 1.00 0.00 C ATOM 818 C GLY A 60 8.251 -6.592 2.587 1.00 0.00 C ATOM 819 O GLY A 60 8.442 -7.014 1.446 1.00 0.00 O ATOM 0 H GLY A 60 8.829 -4.505 4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.261 -5.965 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.731 -7.315 3.952 1.00 0.00 H new ATOM 823 N ASP A 61 7.042 -6.315 3.063 1.00 0.00 N ATOM 824 CA ASP A 61 5.842 -6.496 2.255 1.00 0.00 C ATOM 825 C ASP A 61 5.922 -5.674 0.972 1.00 0.00 C ATOM 826 O ASP A 61 6.601 -4.647 0.922 1.00 0.00 O ATOM 827 CB ASP A 61 4.599 -6.099 3.053 1.00 0.00 C ATOM 828 CG ASP A 61 4.143 -7.194 3.996 1.00 0.00 C ATOM 829 OD1 ASP A 61 4.652 -8.329 3.880 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.277 -6.917 4.852 1.00 0.00 O ATOM 0 H ASP A 61 6.867 -5.964 4.005 1.00 0.00 H new ATOM 0 HA ASP A 61 5.770 -7.550 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.811 -5.196 3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.790 -5.857 2.364 1.00 0.00 H new ATOM 835 N LEU A 62 5.227 -6.132 -0.062 1.00 0.00 N ATOM 836 CA LEU A 62 5.219 -5.440 -1.347 1.00 0.00 C ATOM 837 C LEU A 62 3.856 -4.813 -1.620 1.00 0.00 C ATOM 838 O LEU A 62 2.845 -5.511 -1.699 1.00 0.00 O ATOM 839 CB LEU A 62 5.583 -6.409 -2.473 1.00 0.00 C ATOM 840 CG LEU A 62 6.814 -7.284 -2.233 1.00 0.00 C ATOM 841 CD1 LEU A 62 6.941 -8.337 -3.324 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.071 -6.430 -2.165 1.00 0.00 C ATOM 0 H LEU A 62 4.661 -6.980 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 62 5.962 -4.644 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.728 -7.061 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.744 -5.832 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 62 6.693 -7.793 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.822 -8.950 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.053 -8.969 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.039 -7.847 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.937 -7.070 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.197 -5.893 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.981 -5.715 -1.347 1.00 0.00 H new ATOM 854 N VAL A 63 3.836 -3.492 -1.765 1.00 0.00 N ATOM 855 CA VAL A 63 2.597 -2.771 -2.034 1.00 0.00 C ATOM 856 C VAL A 63 2.398 -2.559 -3.530 1.00 0.00 C ATOM 857 O VAL A 63 3.221 -1.928 -4.194 1.00 0.00 O ATOM 858 CB VAL A 63 2.579 -1.403 -1.326 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.150 -0.923 -1.129 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.312 -1.483 0.005 1.00 0.00 C ATOM 0 H VAL A 63 4.664 -2.899 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 63 1.784 -3.384 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 63 3.096 -0.680 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.157 0.045 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.662 -0.826 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.605 -1.644 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.290 -0.508 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.825 -2.219 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.347 -1.779 -0.167 1.00 0.00 H new ATOM 870 N LEU A 64 1.299 -3.090 -4.056 1.00 0.00 N ATOM 871 CA LEU A 64 0.990 -2.959 -5.475 1.00 0.00 C ATOM 872 C LEU A 64 0.073 -1.766 -5.725 1.00 0.00 C ATOM 873 O LEU A 64 0.227 -1.048 -6.714 1.00 0.00 O ATOM 874 CB LEU A 64 0.332 -4.239 -5.994 1.00 0.00 C ATOM 875 CG LEU A 64 1.238 -5.467 -6.092 1.00 0.00 C ATOM 876 CD1 LEU A 64 1.901 -5.749 -4.753 1.00 0.00 C ATOM 877 CD2 LEU A 64 0.446 -6.678 -6.563 1.00 0.00 C ATOM 0 H LEU A 64 0.608 -3.615 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 64 1.925 -2.794 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.507 -4.482 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.080 -4.037 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 64 2.019 -5.261 -6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.542 -6.626 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.502 -4.889 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.135 -5.934 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.107 -7.543 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.356 -6.886 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.019 -6.474 -7.545 1.00 0.00 H new ATOM 889 N HIS A 65 -0.879 -1.558 -4.821 1.00 0.00 N ATOM 890 CA HIS A 65 -1.819 -0.449 -4.942 1.00 0.00 C ATOM 891 C HIS A 65 -2.145 0.138 -3.572 1.00 0.00 C ATOM 892 O HIS A 65 -1.745 -0.406 -2.542 1.00 0.00 O ATOM 893 CB HIS A 65 -3.103 -0.914 -5.629 1.00 0.00 C ATOM 894 CG HIS A 65 -2.872 -1.534 -6.973 1.00 0.00 C ATOM 895 ND1 HIS A 65 -1.978 -1.027 -7.892 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.423 -2.627 -7.550 1.00 0.00 C ATOM 897 CE1 HIS A 65 -1.991 -1.780 -8.977 1.00 0.00 C ATOM 898 NE2 HIS A 65 -2.859 -2.759 -8.795 1.00 0.00 N ATOM 0 H HIS A 65 -1.020 -2.142 -3.997 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.352 0.327 -5.549 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.608 -1.636 -4.987 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.774 -0.063 -5.741 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.397 -0.200 -7.755 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.168 -3.275 -7.113 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.393 -1.622 -9.863 1.00 0.00 H new ATOM 907 N ILE A 66 -2.873 1.250 -3.568 1.00 0.00 N ATOM 908 CA ILE A 66 -3.252 1.909 -2.325 1.00 0.00 C ATOM 909 C ILE A 66 -4.601 2.607 -2.463 1.00 0.00 C ATOM 910 O ILE A 66 -4.834 3.347 -3.418 1.00 0.00 O ATOM 911 CB ILE A 66 -2.195 2.942 -1.890 1.00 0.00 C ATOM 912 CG1 ILE A 66 -0.880 2.242 -1.543 1.00 0.00 C ATOM 913 CG2 ILE A 66 -2.700 3.749 -0.703 1.00 0.00 C ATOM 914 CD1 ILE A 66 0.272 3.196 -1.320 1.00 0.00 C ATOM 0 H ILE A 66 -3.212 1.713 -4.411 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.323 1.132 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.014 3.626 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.023 1.642 -0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.621 1.554 -2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.942 4.474 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.614 4.273 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.906 3.079 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.172 2.630 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.442 3.779 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.034 3.868 -0.496 1.00 0.00 H new ATOM 926 N ASN A 67 -5.486 2.367 -1.500 1.00 0.00 N ATOM 927 CA ASN A 67 -6.812 2.974 -1.513 1.00 0.00 C ATOM 928 C ASN A 67 -7.528 2.689 -2.830 1.00 0.00 C ATOM 929 O ASN A 67 -8.124 3.582 -3.431 1.00 0.00 O ATOM 930 CB ASN A 67 -6.708 4.484 -1.293 1.00 0.00 C ATOM 931 CG ASN A 67 -6.760 4.860 0.175 1.00 0.00 C ATOM 932 OD1 ASN A 67 -5.738 5.567 0.642 1.00 0.00 O flip ATOM 933 ND2 ASN A 67 -7.709 4.518 0.881 1.00 0.00 N flip ATOM 0 H ASN A 67 -5.309 1.757 -0.702 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.392 2.535 -0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.776 4.848 -1.726 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.521 4.982 -1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.473 3.975 0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.731 4.778 1.867 1.00 0.00 H new ATOM 940 N GLY A 68 -7.465 1.437 -3.273 1.00 0.00 N ATOM 941 CA GLY A 68 -8.111 1.056 -4.516 1.00 0.00 C ATOM 942 C GLY A 68 -7.596 1.846 -5.703 1.00 0.00 C ATOM 943 O GLY A 68 -8.233 1.881 -6.755 1.00 0.00 O ATOM 0 H GLY A 68 -6.978 0.680 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.951 -0.007 -4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.187 1.205 -4.423 1.00 0.00 H new ATOM 947 N GLU A 69 -6.441 2.482 -5.533 1.00 0.00 N ATOM 948 CA GLU A 69 -5.843 3.277 -6.599 1.00 0.00 C ATOM 949 C GLU A 69 -4.511 2.679 -7.042 1.00 0.00 C ATOM 950 O GLU A 69 -3.778 2.105 -6.237 1.00 0.00 O ATOM 951 CB GLU A 69 -5.639 4.720 -6.135 1.00 0.00 C ATOM 952 CG GLU A 69 -5.688 5.735 -7.265 1.00 0.00 C ATOM 953 CD GLU A 69 -5.917 7.150 -6.769 1.00 0.00 C ATOM 954 OE1 GLU A 69 -7.069 7.475 -6.413 1.00 0.00 O ATOM 955 OE2 GLU A 69 -4.943 7.931 -6.736 1.00 0.00 O ATOM 0 H GLU A 69 -5.901 2.462 -4.668 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.525 3.270 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.406 4.969 -5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.676 4.798 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.753 5.697 -7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.484 5.464 -7.958 1.00 0.00 H new ATOM 962 N SER A 70 -4.205 2.818 -8.328 1.00 0.00 N ATOM 963 CA SER A 70 -2.964 2.289 -8.880 1.00 0.00 C ATOM 964 C SER A 70 -1.807 3.254 -8.640 1.00 0.00 C ATOM 965 O SER A 70 -1.940 4.463 -8.838 1.00 0.00 O ATOM 966 CB SER A 70 -3.119 2.023 -10.378 1.00 0.00 C ATOM 967 OG SER A 70 -4.056 0.987 -10.618 1.00 0.00 O ATOM 0 H SER A 70 -4.800 3.293 -9.007 1.00 0.00 H new ATOM 0 HA SER A 70 -2.742 1.350 -8.373 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.443 2.934 -10.881 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.153 1.750 -10.804 1.00 0.00 H new ATOM 0 HG SER A 70 -4.138 0.837 -11.583 1.00 0.00 H new ATOM 973 N THR A 71 -0.671 2.713 -8.212 1.00 0.00 N ATOM 974 CA THR A 71 0.509 3.525 -7.943 1.00 0.00 C ATOM 975 C THR A 71 1.306 3.774 -9.218 1.00 0.00 C ATOM 976 O THR A 71 2.330 4.457 -9.197 1.00 0.00 O ATOM 977 CB THR A 71 1.426 2.856 -6.901 1.00 0.00 C ATOM 978 OG1 THR A 71 2.377 2.011 -7.557 1.00 0.00 O ATOM 979 CG2 THR A 71 0.612 2.039 -5.910 1.00 0.00 C ATOM 0 H THR A 71 -0.543 1.715 -8.044 1.00 0.00 H new ATOM 0 HA THR A 71 0.155 4.477 -7.547 1.00 0.00 H new ATOM 0 HB THR A 71 1.952 3.639 -6.356 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.957 1.591 -6.888 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.281 1.576 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.091 2.691 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.062 1.263 -6.443 1.00 0.00 H new ATOM 987 N GLN A 72 0.830 3.217 -10.327 1.00 0.00 N ATOM 988 CA GLN A 72 1.499 3.381 -11.612 1.00 0.00 C ATOM 989 C GLN A 72 1.729 4.856 -11.923 1.00 0.00 C ATOM 990 O GLN A 72 2.647 5.210 -12.662 1.00 0.00 O ATOM 991 CB GLN A 72 0.675 2.735 -12.727 1.00 0.00 C ATOM 992 CG GLN A 72 0.931 1.246 -12.889 1.00 0.00 C ATOM 993 CD GLN A 72 0.107 0.629 -14.002 1.00 0.00 C ATOM 994 OE1 GLN A 72 0.511 0.636 -15.165 1.00 0.00 O ATOM 995 NE2 GLN A 72 -1.055 0.092 -13.651 1.00 0.00 N ATOM 0 H GLN A 72 -0.016 2.648 -10.361 1.00 0.00 H new ATOM 0 HA GLN A 72 2.468 2.886 -11.553 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.384 2.893 -12.523 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.896 3.238 -13.669 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.989 1.083 -13.093 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.705 0.738 -11.951 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.350 0.109 -12.675 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.653 -0.337 -14.357 1.00 0.00 H new ATOM 1004 N GLY A 73 0.888 5.714 -11.353 1.00 0.00 N ATOM 1005 CA GLY A 73 1.016 7.141 -11.581 1.00 0.00 C ATOM 1006 C GLY A 73 1.334 7.906 -10.312 1.00 0.00 C ATOM 1007 O GLY A 73 1.574 9.113 -10.349 1.00 0.00 O ATOM 0 H GLY A 73 0.120 5.446 -10.737 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.802 7.319 -12.315 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.088 7.522 -12.008 1.00 0.00 H new ATOM 1011 N LEU A 74 1.336 7.202 -9.185 1.00 0.00 N ATOM 1012 CA LEU A 74 1.626 7.823 -7.897 1.00 0.00 C ATOM 1013 C LEU A 74 3.022 7.445 -7.412 1.00 0.00 C ATOM 1014 O LEU A 74 3.341 6.265 -7.262 1.00 0.00 O ATOM 1015 CB LEU A 74 0.583 7.402 -6.859 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.879 7.610 -7.256 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.795 6.776 -6.374 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -1.251 9.083 -7.172 1.00 0.00 C ATOM 0 H LEU A 74 1.140 6.202 -9.137 1.00 0.00 H new ATOM 0 HA LEU A 74 1.586 8.905 -8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.731 6.346 -6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.771 7.955 -5.939 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.005 7.283 -8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.831 6.937 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.545 5.721 -6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.666 7.072 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.295 9.212 -7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.108 9.437 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.616 9.658 -7.847 1.00 0.00 H new ATOM 1030 N THR A 75 3.852 8.454 -7.167 1.00 0.00 N ATOM 1031 CA THR A 75 5.213 8.229 -6.698 1.00 0.00 C ATOM 1032 C THR A 75 5.241 7.963 -5.197 1.00 0.00 C ATOM 1033 O THR A 75 4.199 7.937 -4.542 1.00 0.00 O ATOM 1034 CB THR A 75 6.122 9.432 -7.012 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.474 10.649 -6.627 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.463 9.480 -8.494 1.00 0.00 C ATOM 0 H THR A 75 3.605 9.436 -7.286 1.00 0.00 H new ATOM 0 HA THR A 75 5.588 7.352 -7.226 1.00 0.00 H new ATOM 0 HB THR A 75 7.047 9.318 -6.446 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.059 11.409 -6.828 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.106 10.338 -8.692 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.982 8.565 -8.778 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.546 9.572 -9.076 1.00 0.00 H new ATOM 1044 N HIS A 76 6.440 7.767 -4.658 1.00 0.00 N ATOM 1045 CA HIS A 76 6.604 7.504 -3.233 1.00 0.00 C ATOM 1046 C HIS A 76 5.879 8.558 -2.400 1.00 0.00 C ATOM 1047 O HIS A 76 5.152 8.229 -1.462 1.00 0.00 O ATOM 1048 CB HIS A 76 8.087 7.478 -2.864 1.00 0.00 C ATOM 1049 CG HIS A 76 8.356 7.841 -1.436 1.00 0.00 C ATOM 1050 ND1 HIS A 76 8.250 9.128 -0.953 1.00 0.00 N ATOM 1051 CD2 HIS A 76 8.727 7.075 -0.383 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.546 9.139 0.334 1.00 0.00 C ATOM 1053 NE2 HIS A 76 8.839 7.905 0.705 1.00 0.00 N ATOM 0 H HIS A 76 7.312 7.785 -5.187 1.00 0.00 H new ATOM 0 HA HIS A 76 6.167 6.529 -3.016 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.484 6.481 -3.058 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.627 8.168 -3.513 1.00 0.00 H new ATOM 0 HD2 HIS A 76 8.902 6.009 -0.396 1.00 0.00 H new ATOM 0 HE1 HIS A 76 8.548 10.009 0.974 1.00 0.00 H new ATOM 0 HE2 HIS A 76 9.105 7.616 1.646 1.00 0.00 H new ATOM 1062 N ALA A 77 6.083 9.824 -2.748 1.00 0.00 N ATOM 1063 CA ALA A 77 5.448 10.924 -2.034 1.00 0.00 C ATOM 1064 C ALA A 77 3.931 10.869 -2.176 1.00 0.00 C ATOM 1065 O ALA A 77 3.199 11.229 -1.255 1.00 0.00 O ATOM 1066 CB ALA A 77 5.979 12.258 -2.539 1.00 0.00 C ATOM 0 H ALA A 77 6.683 10.113 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 77 5.691 10.825 -0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.496 13.071 -1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.056 12.305 -2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.766 12.355 -3.604 1.00 0.00 H new ATOM 1072 N GLN A 78 3.466 10.417 -3.337 1.00 0.00 N ATOM 1073 CA GLN A 78 2.036 10.317 -3.599 1.00 0.00 C ATOM 1074 C GLN A 78 1.405 9.209 -2.762 1.00 0.00 C ATOM 1075 O GLN A 78 0.537 9.466 -1.929 1.00 0.00 O ATOM 1076 CB GLN A 78 1.785 10.055 -5.086 1.00 0.00 C ATOM 1077 CG GLN A 78 2.154 11.227 -5.981 1.00 0.00 C ATOM 1078 CD GLN A 78 1.101 12.317 -5.979 1.00 0.00 C ATOM 1079 OE1 GLN A 78 -0.020 12.112 -5.513 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.456 13.484 -6.502 1.00 0.00 N ATOM 0 H GLN A 78 4.059 10.115 -4.110 1.00 0.00 H new ATOM 0 HA GLN A 78 1.575 11.265 -3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.357 9.180 -5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.732 9.815 -5.231 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.105 11.645 -5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.299 10.869 -7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.396 13.610 -6.877 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.789 14.255 -6.529 1.00 0.00 H new ATOM 1089 N ALA A 79 1.848 7.977 -2.990 1.00 0.00 N ATOM 1090 CA ALA A 79 1.328 6.830 -2.256 1.00 0.00 C ATOM 1091 C ALA A 79 1.151 7.159 -0.777 1.00 0.00 C ATOM 1092 O ALA A 79 0.290 6.594 -0.104 1.00 0.00 O ATOM 1093 CB ALA A 79 2.250 5.632 -2.426 1.00 0.00 C ATOM 0 H ALA A 79 2.566 7.748 -3.677 1.00 0.00 H new ATOM 0 HA ALA A 79 0.349 6.581 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.849 4.783 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.322 5.375 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.241 5.879 -2.045 1.00 0.00 H new ATOM 1099 N VAL A 80 1.974 8.076 -0.278 1.00 0.00 N ATOM 1100 CA VAL A 80 1.909 8.481 1.121 1.00 0.00 C ATOM 1101 C VAL A 80 0.767 9.464 1.356 1.00 0.00 C ATOM 1102 O VAL A 80 0.075 9.394 2.371 1.00 0.00 O ATOM 1103 CB VAL A 80 3.230 9.125 1.582 1.00 0.00 C ATOM 1104 CG1 VAL A 80 3.071 9.740 2.964 1.00 0.00 C ATOM 1105 CG2 VAL A 80 4.354 8.100 1.571 1.00 0.00 C ATOM 0 H VAL A 80 2.693 8.552 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 80 1.732 7.577 1.704 1.00 0.00 H new ATOM 0 HB VAL A 80 3.489 9.922 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.015 10.190 3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.296 10.506 2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.788 8.965 3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.280 8.572 1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.106 7.280 2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.483 7.712 0.560 1.00 0.00 H new ATOM 1115 N GLU A 81 0.578 10.379 0.411 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.480 11.377 0.516 1.00 0.00 C ATOM 1117 C GLU A 81 -1.854 10.733 0.355 1.00 0.00 C ATOM 1118 O GLU A 81 -2.814 11.118 1.023 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.289 12.468 -0.540 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.454 13.440 -0.628 1.00 0.00 C ATOM 1121 CD GLU A 81 -1.332 14.588 0.355 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -0.309 15.302 0.310 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -2.261 14.771 1.169 1.00 0.00 O ATOM 0 H GLU A 81 1.143 10.450 -0.435 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.423 11.827 1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.621 13.024 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.144 11.999 -1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.514 13.839 -1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.384 12.904 -0.441 1.00 0.00 H new ATOM 1130 N ARG A 82 -1.940 9.751 -0.537 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.195 9.055 -0.788 1.00 0.00 C ATOM 1132 C ARG A 82 -3.732 8.422 0.493 1.00 0.00 C ATOM 1133 O ARG A 82 -4.909 8.569 0.824 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.001 7.979 -1.858 1.00 0.00 C ATOM 1135 CG ARG A 82 -2.728 8.540 -3.244 1.00 0.00 C ATOM 1136 CD ARG A 82 -3.918 9.326 -3.771 1.00 0.00 C ATOM 1137 NE ARG A 82 -3.953 10.688 -3.243 1.00 0.00 N ATOM 1138 CZ ARG A 82 -4.923 11.555 -3.509 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -5.933 11.204 -4.292 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -4.883 12.776 -2.991 1.00 0.00 N ATOM 0 H ARG A 82 -1.155 9.420 -1.098 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.921 9.786 -1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.172 7.334 -1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.893 7.353 -1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.850 9.186 -3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.497 7.724 -3.929 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.876 9.360 -4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.840 8.810 -3.504 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.190 10.989 -2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.966 10.266 -4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.677 11.872 -4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.107 13.049 -2.388 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.628 13.442 -3.196 1.00 0.00 H new ATOM 1154 N ILE A 83 -2.861 7.719 1.209 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.247 7.065 2.453 1.00 0.00 C ATOM 1156 C ILE A 83 -3.824 8.069 3.446 1.00 0.00 C ATOM 1157 O ILE A 83 -4.945 7.907 3.927 1.00 0.00 O ATOM 1158 CB ILE A 83 -2.052 6.345 3.105 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.423 5.358 2.119 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.493 5.627 4.372 1.00 0.00 C ATOM 1161 CD1 ILE A 83 0.038 5.078 2.392 1.00 0.00 C ATOM 0 H ILE A 83 -1.883 7.588 0.949 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.010 6.329 2.199 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.302 7.089 3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.977 4.420 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.526 5.752 1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.637 5.123 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.899 6.351 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.259 4.892 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.417 4.371 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.605 6.007 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.147 4.654 3.390 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.050 9.107 3.746 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.485 10.138 4.681 1.00 0.00 C ATOM 1175 C ARG A 84 -4.831 10.720 4.261 1.00 0.00 C ATOM 1176 O ARG A 84 -5.766 10.787 5.060 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.440 11.252 4.766 1.00 0.00 C ATOM 1178 CG ARG A 84 -1.197 10.863 5.549 1.00 0.00 C ATOM 1179 CD ARG A 84 -0.549 12.073 6.203 1.00 0.00 C ATOM 1180 NE ARG A 84 -1.168 12.399 7.485 1.00 0.00 N ATOM 1181 CZ ARG A 84 -0.989 11.685 8.591 1.00 0.00 C ATOM 1182 NH1 ARG A 84 -0.214 10.609 8.571 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -1.587 12.045 9.719 1.00 0.00 N ATOM 0 H ARG A 84 -2.120 9.256 3.356 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.598 9.679 5.663 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.147 11.542 3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.892 12.128 5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.461 10.133 6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.482 10.382 4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.513 11.879 6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.626 12.931 5.535 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.771 13.220 7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.246 10.328 7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.078 10.062 9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.185 12.871 9.738 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.449 11.496 10.567 1.00 0.00 H new ATOM 1197 N ALA A 85 -4.923 11.139 3.004 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.155 11.714 2.478 1.00 0.00 C ATOM 1199 C ALA A 85 -7.278 10.683 2.461 1.00 0.00 C ATOM 1200 O ALA A 85 -8.456 11.035 2.421 1.00 0.00 O ATOM 1201 CB ALA A 85 -5.924 12.268 1.080 1.00 0.00 C ATOM 0 H ALA A 85 -4.159 11.091 2.330 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.456 12.530 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.852 12.694 0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.158 13.042 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.596 11.465 0.420 1.00 0.00 H new ATOM 1207 N GLY A 86 -6.905 9.407 2.492 1.00 0.00 N ATOM 1208 CA GLY A 86 -7.894 8.345 2.480 1.00 0.00 C ATOM 1209 C GLY A 86 -8.953 8.526 3.548 1.00 0.00 C ATOM 1210 O GLY A 86 -10.026 7.927 3.477 1.00 0.00 O ATOM 0 H GLY A 86 -5.936 9.090 2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.372 8.309 1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.395 7.387 2.626 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.653 9.355 4.543 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.598 9.597 5.618 1.00 0.00 C ATOM 1216 C GLY A 87 -9.183 8.931 6.915 1.00 0.00 C ATOM 1217 O GLY A 87 -8.012 8.619 7.131 1.00 0.00 O ATOM 0 H GLY A 87 -7.772 9.863 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.694 10.671 5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.581 9.230 5.323 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.159 8.705 7.807 1.00 0.00 N ATOM 1222 CA PRO A 88 -9.914 8.071 9.106 1.00 0.00 C ATOM 1223 C PRO A 88 -9.560 6.594 8.972 1.00 0.00 C ATOM 1224 O PRO A 88 -8.963 6.006 9.873 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.247 8.237 9.839 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.264 8.351 8.756 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.578 9.051 7.616 1.00 0.00 C ATOM 0 HA PRO A 88 -9.068 8.520 9.626 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.452 7.384 10.486 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.242 9.124 10.473 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.622 7.367 8.451 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.133 8.915 9.094 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.949 8.706 6.651 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.737 10.129 7.652 1.00 0.00 H new ATOM 1235 N GLN A 89 -9.932 6.001 7.842 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.654 4.592 7.591 1.00 0.00 C ATOM 1237 C GLN A 89 -8.493 4.431 6.615 1.00 0.00 C ATOM 1238 O GLN A 89 -8.308 5.250 5.714 1.00 0.00 O ATOM 1239 CB GLN A 89 -10.899 3.894 7.041 1.00 0.00 C ATOM 1240 CG GLN A 89 -11.862 3.427 8.120 1.00 0.00 C ATOM 1241 CD GLN A 89 -11.494 2.069 8.682 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -11.285 1.918 9.886 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -11.413 1.069 7.811 1.00 0.00 N ATOM 0 H GLN A 89 -10.427 6.475 7.086 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.375 4.129 8.538 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.421 4.576 6.370 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.590 3.035 6.445 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.878 4.158 8.928 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.870 3.384 7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.594 1.238 6.822 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.170 0.132 8.132 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.712 3.373 6.801 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.568 3.104 5.937 1.00 0.00 C ATOM 1254 C LEU A 90 -6.827 1.889 5.052 1.00 0.00 C ATOM 1255 O LEU A 90 -7.477 0.931 5.470 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.311 2.879 6.778 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.196 2.068 6.116 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.836 2.502 6.640 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.410 0.579 6.348 1.00 0.00 C ATOM 0 H LEU A 90 -7.850 2.687 7.543 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.417 3.972 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.907 3.852 7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.601 2.375 7.700 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.225 2.256 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.056 1.914 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.682 3.559 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.794 2.345 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.607 0.017 5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.409 0.374 7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.367 0.278 5.922 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.311 1.934 3.828 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.484 0.835 2.884 1.00 0.00 C ATOM 1273 C HIS A 91 -5.247 0.674 2.006 1.00 0.00 C ATOM 1274 O HIS A 91 -4.934 1.543 1.190 1.00 0.00 O ATOM 1275 CB HIS A 91 -7.717 1.074 2.011 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.310 -0.185 1.457 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.183 -0.558 0.136 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.037 -1.158 2.053 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.807 -1.707 -0.057 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.333 -2.092 1.091 1.00 0.00 N ATOM 0 H HIS A 91 -5.770 2.719 3.466 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.625 -0.083 3.454 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.473 1.594 2.599 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.446 1.732 1.186 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -7.685 -0.030 -0.581 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.330 -1.193 3.092 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.875 -2.240 -0.994 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.547 -0.442 2.178 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.343 -0.717 1.401 1.00 0.00 C ATOM 1291 C LEU A 92 -3.396 -2.114 0.791 1.00 0.00 C ATOM 1292 O LEU A 92 -3.727 -3.087 1.470 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.101 -0.580 2.283 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.005 0.701 3.113 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -0.762 0.677 3.989 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -1.998 1.924 2.207 1.00 0.00 C ATOM 0 H LEU A 92 -4.792 -1.171 2.848 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.288 0.011 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.066 -1.432 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.219 -0.643 1.646 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.880 0.758 3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.710 1.596 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.808 -0.178 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.125 0.596 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.929 2.826 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.142 1.873 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.918 1.949 1.623 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.066 -2.207 -0.493 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.073 -3.485 -1.194 1.00 0.00 C ATOM 1310 C VAL A 93 -1.693 -4.133 -1.168 1.00 0.00 C ATOM 1311 O VAL A 93 -0.753 -3.640 -1.792 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.524 -3.321 -2.657 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.825 -4.676 -3.279 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.736 -2.405 -2.741 1.00 0.00 C ATOM 0 H VAL A 93 -2.790 -1.412 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.783 -4.128 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.711 -2.863 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.142 -4.539 -4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.928 -5.295 -3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.620 -5.166 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.041 -2.300 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.556 -2.832 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.480 -1.425 -2.338 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.579 -5.241 -0.444 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.315 -5.958 -0.338 1.00 0.00 C ATOM 1326 C ILE A 94 -0.444 -7.382 -0.867 1.00 0.00 C ATOM 1327 O ILE A 94 -1.525 -7.971 -0.834 1.00 0.00 O ATOM 1328 CB ILE A 94 0.185 -6.006 1.117 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.234 -4.596 1.710 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.556 -6.662 1.185 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.443 -3.799 1.275 1.00 0.00 C ATOM 0 H ILE A 94 -2.347 -5.662 0.078 1.00 0.00 H new ATOM 0 HA ILE A 94 0.408 -5.412 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.512 -6.603 1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.669 -4.058 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.228 -4.668 2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.896 -6.688 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.492 -7.679 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.264 -6.089 0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.411 -2.811 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.351 -4.315 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.440 -3.696 0.190 1.00 0.00 H new ATOM 1343 N ARG A 95 0.665 -7.930 -1.353 1.00 0.00 N ATOM 1344 CA ARG A 95 0.676 -9.286 -1.888 1.00 0.00 C ATOM 1345 C ARG A 95 1.874 -10.070 -1.360 1.00 0.00 C ATOM 1346 O ARG A 95 2.995 -9.908 -1.843 1.00 0.00 O ATOM 1347 CB ARG A 95 0.708 -9.254 -3.417 1.00 0.00 C ATOM 1348 CG ARG A 95 1.039 -10.596 -4.048 1.00 0.00 C ATOM 1349 CD ARG A 95 1.402 -10.447 -5.517 1.00 0.00 C ATOM 1350 NE ARG A 95 2.054 -11.642 -6.044 1.00 0.00 N ATOM 1351 CZ ARG A 95 2.209 -11.884 -7.341 1.00 0.00 C ATOM 1352 NH1 ARG A 95 1.761 -11.017 -8.238 1.00 0.00 N ATOM 1353 NH2 ARG A 95 2.813 -12.995 -7.743 1.00 0.00 N ATOM 0 H ARG A 95 1.567 -7.456 -1.387 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.236 -9.785 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.261 -8.918 -3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.444 -8.518 -3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.869 -11.056 -3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.185 -11.266 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.500 -10.242 -6.094 1.00 0.00 H new ATOM 0 HD3 ARG A 95 2.062 -9.589 -5.642 1.00 0.00 H new ATOM 0 HE ARG A 95 2.410 -12.329 -5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.296 -10.162 -7.933 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.881 -11.205 -9.233 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.159 -13.665 -7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.931 -13.179 -8.739 1.00 0.00 H new ATOM 1367 N ARG A 96 1.630 -10.917 -0.366 1.00 0.00 N ATOM 1368 CA ARG A 96 2.689 -11.724 0.228 1.00 0.00 C ATOM 1369 C ARG A 96 3.385 -12.573 -0.832 1.00 0.00 C ATOM 1370 O ARG A 96 2.824 -13.532 -1.361 1.00 0.00 O ATOM 1371 CB ARG A 96 2.118 -12.625 1.324 1.00 0.00 C ATOM 1372 CG ARG A 96 3.168 -13.471 2.026 1.00 0.00 C ATOM 1373 CD ARG A 96 2.564 -14.738 2.610 1.00 0.00 C ATOM 1374 NE ARG A 96 2.012 -14.516 3.944 1.00 0.00 N ATOM 1375 CZ ARG A 96 1.625 -15.498 4.751 1.00 0.00 C ATOM 1376 NH1 ARG A 96 1.729 -16.761 4.363 1.00 0.00 N ATOM 1377 NH2 ARG A 96 1.132 -15.216 5.951 1.00 0.00 N ATOM 0 H ARG A 96 0.708 -11.062 0.045 1.00 0.00 H new ATOM 0 HA ARG A 96 3.423 -11.049 0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.609 -12.006 2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.367 -13.283 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.956 -13.734 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.634 -12.889 2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.778 -15.103 1.949 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.327 -15.515 2.658 1.00 0.00 H new ATOM 0 HE ARG A 96 1.919 -13.555 4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.107 -16.982 3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.431 -17.512 4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.050 -14.245 6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.835 -15.970 6.570 1.00 0.00 H new ATOM 1391 N PRO A 97 4.637 -12.213 -1.149 1.00 0.00 N ATOM 1392 CA PRO A 97 5.438 -12.928 -2.148 1.00 0.00 C ATOM 1393 C PRO A 97 5.853 -14.316 -1.672 1.00 0.00 C ATOM 1394 O PRO A 97 5.570 -14.705 -0.538 1.00 0.00 O ATOM 1395 CB PRO A 97 6.667 -12.033 -2.325 1.00 0.00 C ATOM 1396 CG PRO A 97 6.778 -11.284 -1.041 1.00 0.00 C ATOM 1397 CD PRO A 97 5.369 -11.080 -0.558 1.00 0.00 C ATOM 0 HA PRO A 97 4.882 -13.098 -3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.563 -12.624 -2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.545 -11.355 -3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.363 -11.844 -0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.282 -10.329 -1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.312 -11.089 0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.965 -10.124 -0.890 1.00 0.00 H new