USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 653 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 Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc=-0.00561 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -127:sc= 0.873 (180deg=-0.0594) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= -1.19 (180deg=-1.22) USER MOD Single : A 74 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.16) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HE2:sc= 0.141 K(o=0.14,f=-1.3) USER MOD Single : A 84 HIS : no HD1:sc= -5.35! K(o=-5.4!,f=-4.7) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 MET CE :methyl -107:sc= -4.05! (180deg=-9.67!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -7.759 -7.020 -16.303 1.00 0.00 N ATOM 149 CA GLU A 13 -6.884 -7.309 -15.180 1.00 0.00 C ATOM 150 C GLU A 13 -6.129 -6.047 -14.757 1.00 0.00 C ATOM 151 O GLU A 13 -5.699 -5.264 -15.602 1.00 0.00 O ATOM 152 CB GLU A 13 -5.913 -8.441 -15.518 1.00 0.00 C ATOM 153 CG GLU A 13 -4.734 -7.924 -16.345 1.00 0.00 C ATOM 154 CD GLU A 13 -3.834 -9.076 -16.797 1.00 0.00 C ATOM 155 OE1 GLU A 13 -4.162 -9.675 -17.844 1.00 0.00 O ATOM 156 OE2 GLU A 13 -2.839 -9.331 -16.085 1.00 0.00 O ATOM 0 HA GLU A 13 -7.498 -7.640 -14.342 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.545 -8.896 -14.598 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.436 -9.220 -16.072 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.105 -7.384 -17.216 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.154 -7.215 -15.754 1.00 0.00 H new ATOM 163 N GLU A 14 -5.991 -5.889 -13.449 1.00 0.00 N ATOM 164 CA GLU A 14 -5.295 -4.736 -12.903 1.00 0.00 C ATOM 165 C GLU A 14 -4.086 -4.386 -13.772 1.00 0.00 C ATOM 166 O GLU A 14 -3.575 -5.234 -14.502 1.00 0.00 O ATOM 167 CB GLU A 14 -4.875 -4.984 -11.453 1.00 0.00 C ATOM 168 CG GLU A 14 -6.007 -4.630 -10.486 1.00 0.00 C ATOM 169 CD GLU A 14 -5.941 -5.493 -9.225 1.00 0.00 C ATOM 170 OE1 GLU A 14 -5.751 -6.718 -9.385 1.00 0.00 O ATOM 171 OE2 GLU A 14 -6.082 -4.909 -8.129 1.00 0.00 O ATOM 0 H GLU A 14 -6.349 -6.541 -12.751 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.979 -3.888 -12.908 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.596 -6.030 -11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.993 -4.388 -11.219 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.941 -3.577 -10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.969 -4.773 -10.979 1.00 0.00 H new ATOM 178 N GLU A 15 -3.663 -3.135 -13.666 1.00 0.00 N ATOM 179 CA GLU A 15 -2.523 -2.662 -14.433 1.00 0.00 C ATOM 180 C GLU A 15 -1.482 -2.034 -13.504 1.00 0.00 C ATOM 181 O GLU A 15 -1.758 -1.790 -12.331 1.00 0.00 O ATOM 182 CB GLU A 15 -2.961 -1.672 -15.513 1.00 0.00 C ATOM 183 CG GLU A 15 -3.922 -0.627 -14.942 1.00 0.00 C ATOM 184 CD GLU A 15 -4.160 0.504 -15.945 1.00 0.00 C ATOM 185 OE1 GLU A 15 -4.866 0.239 -16.942 1.00 0.00 O ATOM 186 OE2 GLU A 15 -3.631 1.608 -15.691 1.00 0.00 O ATOM 0 H GLU A 15 -4.090 -2.434 -13.060 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.067 -3.517 -14.933 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.086 -1.176 -15.933 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.445 -2.209 -16.329 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.871 -1.100 -14.689 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.514 -0.218 -14.018 1.00 0.00 H new ATOM 193 N GLU A 16 -0.306 -1.792 -14.064 1.00 0.00 N ATOM 194 CA GLU A 16 0.778 -1.197 -13.301 1.00 0.00 C ATOM 195 C GLU A 16 0.681 0.330 -13.341 1.00 0.00 C ATOM 196 O GLU A 16 0.431 0.912 -14.395 1.00 0.00 O ATOM 197 CB GLU A 16 2.138 -1.673 -13.816 1.00 0.00 C ATOM 198 CG GLU A 16 2.483 -3.055 -13.257 1.00 0.00 C ATOM 199 CD GLU A 16 3.103 -3.944 -14.338 1.00 0.00 C ATOM 200 OE1 GLU A 16 2.597 -3.887 -15.479 1.00 0.00 O ATOM 201 OE2 GLU A 16 4.068 -4.661 -13.997 1.00 0.00 O ATOM 0 H GLU A 16 -0.080 -1.997 -15.037 1.00 0.00 H new ATOM 0 HA GLU A 16 0.685 -1.521 -12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.126 -1.710 -14.905 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.910 -0.958 -13.530 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.178 -2.951 -12.424 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.583 -3.528 -12.864 1.00 0.00 H new ATOM 208 N LEU A 17 0.883 0.934 -12.179 1.00 0.00 N ATOM 209 CA LEU A 17 0.821 2.382 -12.069 1.00 0.00 C ATOM 210 C LEU A 17 2.021 2.879 -11.260 1.00 0.00 C ATOM 211 O LEU A 17 2.647 2.108 -10.535 1.00 0.00 O ATOM 212 CB LEU A 17 -0.530 2.818 -11.497 1.00 0.00 C ATOM 213 CG LEU A 17 -1.712 1.890 -11.785 1.00 0.00 C ATOM 214 CD1 LEU A 17 -2.814 2.065 -10.739 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.235 2.095 -13.208 1.00 0.00 C ATOM 0 H LEU A 17 1.090 0.448 -11.306 1.00 0.00 H new ATOM 0 HA LEU A 17 0.888 2.843 -13.055 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.429 2.920 -10.417 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.766 3.807 -11.890 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.363 0.860 -11.715 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.642 1.394 -10.967 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.418 1.830 -9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.168 3.096 -10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.075 1.424 -13.387 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.563 3.127 -13.330 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.440 1.880 -13.922 1.00 0.00 H new ATOM 227 N THR A 18 2.304 4.164 -11.412 1.00 0.00 N ATOM 228 CA THR A 18 3.418 4.774 -10.705 1.00 0.00 C ATOM 229 C THR A 18 2.979 6.083 -10.046 1.00 0.00 C ATOM 230 O THR A 18 2.304 6.900 -10.670 1.00 0.00 O ATOM 231 CB THR A 18 4.569 4.949 -11.698 1.00 0.00 C ATOM 232 OG1 THR A 18 4.941 3.615 -12.037 1.00 0.00 O ATOM 233 CG2 THR A 18 5.824 5.530 -11.043 1.00 0.00 C ATOM 0 H THR A 18 1.781 4.800 -12.014 1.00 0.00 H new ATOM 0 HA THR A 18 3.766 4.138 -9.891 1.00 0.00 H new ATOM 0 HB THR A 18 4.250 5.599 -12.512 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.681 3.635 -12.679 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.610 5.634 -11.791 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.594 6.508 -10.620 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.163 4.863 -10.251 1.00 0.00 H new ATOM 241 N LEU A 19 3.381 6.242 -8.794 1.00 0.00 N ATOM 242 CA LEU A 19 3.038 7.438 -8.044 1.00 0.00 C ATOM 243 C LEU A 19 4.294 7.986 -7.364 1.00 0.00 C ATOM 244 O LEU A 19 5.213 7.232 -7.048 1.00 0.00 O ATOM 245 CB LEU A 19 1.889 7.151 -7.075 1.00 0.00 C ATOM 246 CG LEU A 19 0.524 6.887 -7.712 1.00 0.00 C ATOM 247 CD1 LEU A 19 -0.428 6.223 -6.715 1.00 0.00 C ATOM 248 CD2 LEU A 19 -0.065 8.171 -8.299 1.00 0.00 C ATOM 0 H LEU A 19 3.941 5.562 -8.280 1.00 0.00 H new ATOM 0 HA LEU A 19 2.673 8.216 -8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.158 6.286 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.793 7.998 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 19 0.662 6.189 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.391 6.047 -7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.006 5.273 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.566 6.876 -5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.036 7.955 -8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.186 8.911 -7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.607 8.563 -9.063 1.00 0.00 H new ATOM 260 N THR A 20 4.294 9.295 -7.158 1.00 0.00 N ATOM 261 CA THR A 20 5.422 9.953 -6.521 1.00 0.00 C ATOM 262 C THR A 20 4.950 10.786 -5.328 1.00 0.00 C ATOM 263 O THR A 20 3.979 11.534 -5.434 1.00 0.00 O ATOM 264 CB THR A 20 6.152 10.775 -7.585 1.00 0.00 C ATOM 265 OG1 THR A 20 6.291 9.877 -8.683 1.00 0.00 O ATOM 266 CG2 THR A 20 7.593 11.101 -7.186 1.00 0.00 C ATOM 0 H THR A 20 3.530 9.918 -7.421 1.00 0.00 H new ATOM 0 HA THR A 20 6.124 9.226 -6.112 1.00 0.00 H new ATOM 0 HB THR A 20 5.607 11.701 -7.765 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.753 10.329 -9.419 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.066 11.685 -7.975 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.593 11.675 -6.260 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.148 10.175 -7.038 1.00 0.00 H new ATOM 274 N ILE A 21 5.658 10.628 -4.220 1.00 0.00 N ATOM 275 CA ILE A 21 5.324 11.357 -3.008 1.00 0.00 C ATOM 276 C ILE A 21 6.496 12.260 -2.621 1.00 0.00 C ATOM 277 O ILE A 21 7.650 11.941 -2.903 1.00 0.00 O ATOM 278 CB ILE A 21 4.902 10.389 -1.900 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.874 9.380 -2.416 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.394 11.148 -0.673 1.00 0.00 C ATOM 281 CD1 ILE A 21 3.986 8.051 -1.667 1.00 0.00 C ATOM 0 H ILE A 21 6.462 10.006 -4.136 1.00 0.00 H new ATOM 0 HA ILE A 21 4.465 12.005 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 21 5.780 9.823 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.869 9.785 -2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.026 9.214 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.101 10.437 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.185 11.793 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.533 11.756 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.244 7.352 -2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.984 7.636 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.810 8.216 -0.604 1.00 0.00 H new ATOM 293 N LEU A 22 6.160 13.371 -1.980 1.00 0.00 N ATOM 294 CA LEU A 22 7.170 14.323 -1.552 1.00 0.00 C ATOM 295 C LEU A 22 7.567 14.023 -0.105 1.00 0.00 C ATOM 296 O LEU A 22 6.735 14.097 0.798 1.00 0.00 O ATOM 297 CB LEU A 22 6.683 15.756 -1.771 1.00 0.00 C ATOM 298 CG LEU A 22 6.816 16.300 -3.195 1.00 0.00 C ATOM 299 CD1 LEU A 22 8.000 17.263 -3.306 1.00 0.00 C ATOM 300 CD2 LEU A 22 6.909 15.159 -4.211 1.00 0.00 C ATOM 0 H LEU A 22 5.202 13.632 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 22 8.070 14.221 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.634 15.811 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.236 16.413 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 22 5.916 16.868 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.072 17.635 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.853 18.101 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.920 16.740 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.003 15.573 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.781 14.544 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.009 14.546 -4.154 1.00 0.00 H new ATOM 312 N ARG A 23 8.837 13.690 0.070 1.00 0.00 N ATOM 313 CA ARG A 23 9.354 13.378 1.392 1.00 0.00 C ATOM 314 C ARG A 23 9.569 14.663 2.194 1.00 0.00 C ATOM 315 O ARG A 23 10.434 15.471 1.859 1.00 0.00 O ATOM 316 CB ARG A 23 10.676 12.615 1.300 1.00 0.00 C ATOM 317 CG ARG A 23 10.762 11.535 2.381 1.00 0.00 C ATOM 318 CD ARG A 23 12.144 10.878 2.391 1.00 0.00 C ATOM 319 NE ARG A 23 12.391 10.237 3.702 1.00 0.00 N ATOM 320 CZ ARG A 23 12.000 8.995 4.017 1.00 0.00 C ATOM 321 NH1 ARG A 23 11.342 8.251 3.117 1.00 0.00 N ATOM 322 NH2 ARG A 23 12.268 8.496 5.231 1.00 0.00 N ATOM 0 H ARG A 23 9.524 13.629 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 23 8.620 12.750 1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.768 12.157 0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.509 13.310 1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.558 11.975 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.997 10.779 2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.208 10.135 1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.912 11.625 2.192 1.00 0.00 H new ATOM 0 HE ARG A 23 12.890 10.775 4.410 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.139 8.630 2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.044 7.305 3.357 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.770 9.062 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.970 7.550 5.471 1.00 0.00 H new ATOM 381 N LEU A 28 6.414 8.537 4.709 1.00 0.00 N ATOM 382 CA LEU A 28 5.146 8.836 4.065 1.00 0.00 C ATOM 383 C LEU A 28 4.007 8.610 5.062 1.00 0.00 C ATOM 384 O LEU A 28 4.246 8.237 6.209 1.00 0.00 O ATOM 385 CB LEU A 28 4.999 8.033 2.772 1.00 0.00 C ATOM 386 CG LEU A 28 6.302 7.672 2.055 1.00 0.00 C ATOM 387 CD1 LEU A 28 6.108 6.459 1.143 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.862 8.877 1.296 1.00 0.00 C ATOM 0 HA LEU A 28 5.108 9.884 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.465 7.110 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.374 8.602 2.083 1.00 0.00 H new ATOM 0 HG LEU A 28 7.040 7.394 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.049 6.224 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.788 5.604 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.348 6.684 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.788 8.594 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.136 9.209 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.062 9.688 1.997 1.00 0.00 H new ATOM 400 N GLY A 29 2.793 8.845 4.587 1.00 0.00 N ATOM 401 CA GLY A 29 1.616 8.671 5.422 1.00 0.00 C ATOM 402 C GLY A 29 0.676 7.617 4.833 1.00 0.00 C ATOM 403 O GLY A 29 -0.440 7.935 4.426 1.00 0.00 O ATOM 0 H GLY A 29 2.599 9.154 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.919 8.373 6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.089 9.621 5.517 1.00 0.00 H new ATOM 407 N ILE A 30 1.163 6.385 4.806 1.00 0.00 N ATOM 408 CA ILE A 30 0.380 5.283 4.274 1.00 0.00 C ATOM 409 C ILE A 30 0.667 4.020 5.088 1.00 0.00 C ATOM 410 O ILE A 30 1.753 3.869 5.644 1.00 0.00 O ATOM 411 CB ILE A 30 0.636 5.120 2.774 1.00 0.00 C ATOM 412 CG1 ILE A 30 2.129 5.230 2.457 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.197 6.115 1.964 1.00 0.00 C ATOM 414 CD1 ILE A 30 2.576 4.104 1.523 1.00 0.00 C ATOM 0 H ILE A 30 2.090 6.126 5.144 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.686 5.490 4.372 1.00 0.00 H new ATOM 0 HB ILE A 30 0.318 4.120 2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.336 6.195 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.705 5.190 3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.004 5.978 0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.256 5.945 2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.067 7.132 2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.641 4.206 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.390 3.141 1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.016 4.161 0.590 1.00 0.00 H new ATOM 426 N SER A 31 -0.327 3.144 5.131 1.00 0.00 N ATOM 427 CA SER A 31 -0.195 1.899 5.868 1.00 0.00 C ATOM 428 C SER A 31 -0.276 0.711 4.906 1.00 0.00 C ATOM 429 O SER A 31 -1.042 0.738 3.944 1.00 0.00 O ATOM 430 CB SER A 31 -1.272 1.781 6.948 1.00 0.00 C ATOM 431 OG SER A 31 -0.867 2.384 8.174 1.00 0.00 O ATOM 0 H SER A 31 -1.227 3.272 4.667 1.00 0.00 H new ATOM 0 HA SER A 31 0.777 1.895 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.190 2.253 6.598 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.500 0.729 7.119 1.00 0.00 H new ATOM 0 HG SER A 31 -1.582 2.289 8.837 1.00 0.00 H new ATOM 437 N ILE A 32 0.525 -0.302 5.200 1.00 0.00 N ATOM 438 CA ILE A 32 0.554 -1.497 4.374 1.00 0.00 C ATOM 439 C ILE A 32 0.071 -2.693 5.197 1.00 0.00 C ATOM 440 O ILE A 32 0.094 -2.655 6.426 1.00 0.00 O ATOM 441 CB ILE A 32 1.944 -1.692 3.763 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.031 -1.618 4.837 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.189 -0.695 2.629 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.422 -1.771 4.220 1.00 0.00 C ATOM 0 H ILE A 32 1.159 -0.320 5.999 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.129 -1.394 3.531 1.00 0.00 H new ATOM 0 HB ILE A 32 1.989 -2.691 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.965 -0.665 5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.870 -2.401 5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.183 -0.855 2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.441 -0.840 1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.117 0.321 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.176 -1.715 5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.493 -2.735 3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.590 -0.972 3.498 1.00 0.00 H new ATOM 456 N ALA A 33 -0.355 -3.726 4.485 1.00 0.00 N ATOM 457 CA ALA A 33 -0.844 -4.931 5.134 1.00 0.00 C ATOM 458 C ALA A 33 -0.574 -6.137 4.232 1.00 0.00 C ATOM 459 O ALA A 33 -0.819 -6.082 3.027 1.00 0.00 O ATOM 460 CB ALA A 33 -2.329 -4.769 5.462 1.00 0.00 C ATOM 0 H ALA A 33 -0.372 -3.754 3.466 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.320 -5.099 6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.695 -5.673 5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.463 -3.918 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.889 -4.600 4.542 1.00 0.00 H new ATOM 466 N GLY A 34 -0.074 -7.197 4.848 1.00 0.00 N ATOM 467 CA GLY A 34 0.231 -8.414 4.115 1.00 0.00 C ATOM 468 C GLY A 34 1.742 -8.585 3.940 1.00 0.00 C ATOM 469 O GLY A 34 2.517 -8.228 4.826 1.00 0.00 O ATOM 0 H GLY A 34 0.128 -7.239 5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.177 -9.274 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.251 -8.385 3.138 1.00 0.00 H new ATOM 473 N GLY A 35 2.114 -9.130 2.792 1.00 0.00 N ATOM 474 CA GLY A 35 3.518 -9.352 2.489 1.00 0.00 C ATOM 475 C GLY A 35 3.744 -10.762 1.939 1.00 0.00 C ATOM 476 O GLY A 35 3.050 -11.191 1.018 1.00 0.00 O ATOM 0 H GLY A 35 1.468 -9.425 2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.858 -8.615 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.115 -9.209 3.390 1.00 0.00 H new ATOM 480 N LYS A 36 4.717 -11.443 2.526 1.00 0.00 N ATOM 481 CA LYS A 36 5.043 -12.795 2.105 1.00 0.00 C ATOM 482 C LYS A 36 4.147 -13.786 2.851 1.00 0.00 C ATOM 483 O LYS A 36 2.941 -13.835 2.616 1.00 0.00 O ATOM 484 CB LYS A 36 6.539 -13.065 2.282 1.00 0.00 C ATOM 485 CG LYS A 36 6.895 -14.487 1.843 1.00 0.00 C ATOM 486 CD LYS A 36 7.932 -14.470 0.719 1.00 0.00 C ATOM 487 CE LYS A 36 9.302 -14.035 1.243 1.00 0.00 C ATOM 488 NZ LYS A 36 10.081 -15.209 1.695 1.00 0.00 N ATOM 0 H LYS A 36 5.290 -11.084 3.290 1.00 0.00 H new ATOM 0 HA LYS A 36 4.843 -12.922 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.114 -12.346 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.817 -12.923 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.284 -15.047 2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.996 -15.003 1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.007 -15.462 0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.608 -13.791 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.847 -13.509 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.176 -13.335 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.008 -14.896 2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.567 -15.694 2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.217 -15.863 0.898 1.00 0.00 H new ATOM 502 N GLY A 37 4.772 -14.551 3.734 1.00 0.00 N ATOM 503 CA GLY A 37 4.046 -15.538 4.515 1.00 0.00 C ATOM 504 C GLY A 37 3.163 -14.864 5.567 1.00 0.00 C ATOM 505 O GLY A 37 3.300 -15.128 6.760 1.00 0.00 O ATOM 0 H GLY A 37 5.773 -14.507 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.430 -16.148 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.751 -16.210 5.004 1.00 0.00 H new ATOM 509 N SER A 38 2.276 -14.005 5.086 1.00 0.00 N ATOM 510 CA SER A 38 1.371 -13.290 5.970 1.00 0.00 C ATOM 511 C SER A 38 -0.030 -13.242 5.357 1.00 0.00 C ATOM 512 O SER A 38 -0.213 -13.588 4.191 1.00 0.00 O ATOM 513 CB SER A 38 1.877 -11.874 6.249 1.00 0.00 C ATOM 514 OG SER A 38 1.712 -11.507 7.616 1.00 0.00 O ATOM 0 H SER A 38 2.165 -13.788 4.096 1.00 0.00 H new ATOM 0 HA SER A 38 1.327 -13.824 6.919 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.931 -11.806 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.341 -11.166 5.617 1.00 0.00 H new ATOM 0 HG SER A 38 2.049 -10.597 7.753 1.00 0.00 H new ATOM 520 N THR A 39 -0.983 -12.809 6.170 1.00 0.00 N ATOM 521 CA THR A 39 -2.361 -12.711 5.722 1.00 0.00 C ATOM 522 C THR A 39 -2.505 -11.602 4.679 1.00 0.00 C ATOM 523 O THR A 39 -2.062 -10.476 4.899 1.00 0.00 O ATOM 524 CB THR A 39 -3.245 -12.506 6.954 1.00 0.00 C ATOM 525 OG1 THR A 39 -3.004 -13.661 7.752 1.00 0.00 O ATOM 526 CG2 THR A 39 -4.737 -12.586 6.624 1.00 0.00 C ATOM 0 H THR A 39 -0.827 -12.522 7.136 1.00 0.00 H new ATOM 0 HA THR A 39 -2.681 -13.626 5.223 1.00 0.00 H new ATOM 0 HB THR A 39 -3.023 -11.537 7.402 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.537 -13.609 8.573 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.319 -12.434 7.533 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.991 -11.815 5.897 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.965 -13.567 6.207 1.00 0.00 H new ATOM 534 N PRO A 40 -3.143 -11.968 3.535 1.00 0.00 N ATOM 535 CA PRO A 40 -3.351 -11.017 2.456 1.00 0.00 C ATOM 536 C PRO A 40 -4.468 -10.030 2.804 1.00 0.00 C ATOM 537 O PRO A 40 -5.406 -10.376 3.520 1.00 0.00 O ATOM 538 CB PRO A 40 -3.669 -11.867 1.237 1.00 0.00 C ATOM 539 CG PRO A 40 -4.083 -13.227 1.774 1.00 0.00 C ATOM 540 CD PRO A 40 -3.681 -13.293 3.239 1.00 0.00 C ATOM 0 HA PRO A 40 -2.477 -10.392 2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.469 -11.420 0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.801 -11.953 0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.158 -13.368 1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.599 -14.024 1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.536 -13.524 3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.936 -14.070 3.411 1.00 0.00 H new ATOM 548 N TYR A 41 -4.329 -8.821 2.280 1.00 0.00 N ATOM 549 CA TYR A 41 -5.314 -7.781 2.526 1.00 0.00 C ATOM 550 C TYR A 41 -6.600 -8.047 1.740 1.00 0.00 C ATOM 551 O TYR A 41 -7.665 -7.548 2.098 1.00 0.00 O ATOM 552 CB TYR A 41 -4.686 -6.478 2.027 1.00 0.00 C ATOM 553 CG TYR A 41 -5.616 -5.266 2.113 1.00 0.00 C ATOM 554 CD1 TYR A 41 -6.448 -4.959 1.056 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.622 -4.481 3.247 1.00 0.00 C ATOM 556 CE1 TYR A 41 -7.323 -3.818 1.136 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.498 -3.340 3.328 1.00 0.00 C ATOM 558 CZ TYR A 41 -7.305 -3.065 2.268 1.00 0.00 C ATOM 559 OH TYR A 41 -8.131 -1.988 2.345 1.00 0.00 O ATOM 0 H TYR A 41 -3.549 -8.538 1.686 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.574 -7.741 3.584 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.786 -6.275 2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.374 -6.611 0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.443 -5.574 0.169 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.970 -4.721 4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.979 -3.566 0.316 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.514 -2.717 4.210 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.011 -1.545 3.211 1.00 0.00 H new ATOM 569 N LYS A 42 -6.457 -8.833 0.683 1.00 0.00 N ATOM 570 CA LYS A 42 -7.594 -9.172 -0.157 1.00 0.00 C ATOM 571 C LYS A 42 -7.216 -10.336 -1.074 1.00 0.00 C ATOM 572 O LYS A 42 -6.175 -10.302 -1.730 1.00 0.00 O ATOM 573 CB LYS A 42 -8.093 -7.935 -0.907 1.00 0.00 C ATOM 574 CG LYS A 42 -7.252 -7.676 -2.158 1.00 0.00 C ATOM 575 CD LYS A 42 -7.894 -6.601 -3.037 1.00 0.00 C ATOM 576 CE LYS A 42 -7.619 -5.202 -2.482 1.00 0.00 C ATOM 577 NZ LYS A 42 -7.542 -4.214 -3.581 1.00 0.00 N ATOM 0 H LYS A 42 -5.571 -9.245 0.389 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.433 -9.506 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.137 -8.073 -1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.052 -7.066 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.249 -7.363 -1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.145 -8.600 -2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.505 -6.676 -4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.970 -6.768 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.408 -4.919 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.684 -5.204 -1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.652 -3.681 -3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.574 -4.709 -4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.345 -3.557 -3.514 1.00 0.00 H new ATOM 591 N GLY A 43 -8.081 -11.339 -1.092 1.00 0.00 N ATOM 592 CA GLY A 43 -7.851 -12.512 -1.918 1.00 0.00 C ATOM 593 C GLY A 43 -6.523 -13.182 -1.561 1.00 0.00 C ATOM 594 O GLY A 43 -5.706 -12.607 -0.844 1.00 0.00 O ATOM 0 H GLY A 43 -8.943 -11.364 -0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.668 -13.221 -1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.847 -12.225 -2.970 1.00 0.00 H new ATOM 598 N ASP A 44 -6.348 -14.390 -2.077 1.00 0.00 N ATOM 599 CA ASP A 44 -5.134 -15.145 -1.822 1.00 0.00 C ATOM 600 C ASP A 44 -3.985 -14.545 -2.635 1.00 0.00 C ATOM 601 O ASP A 44 -3.584 -15.103 -3.656 1.00 0.00 O ATOM 602 CB ASP A 44 -5.296 -16.607 -2.240 1.00 0.00 C ATOM 603 CG ASP A 44 -4.017 -17.445 -2.172 1.00 0.00 C ATOM 604 OD1 ASP A 44 -3.472 -17.559 -1.053 1.00 0.00 O ATOM 605 OD2 ASP A 44 -3.614 -17.953 -3.241 1.00 0.00 O ATOM 0 H ASP A 44 -7.028 -14.864 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.926 -15.097 -0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.050 -17.070 -1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.678 -16.637 -3.260 1.00 0.00 H new ATOM 610 N ASP A 45 -3.488 -13.415 -2.153 1.00 0.00 N ATOM 611 CA ASP A 45 -2.393 -12.733 -2.823 1.00 0.00 C ATOM 612 C ASP A 45 -1.378 -12.261 -1.780 1.00 0.00 C ATOM 613 O ASP A 45 -1.594 -11.250 -1.113 1.00 0.00 O ATOM 614 CB ASP A 45 -2.894 -11.505 -3.586 1.00 0.00 C ATOM 615 CG ASP A 45 -3.381 -11.783 -5.010 1.00 0.00 C ATOM 616 OD1 ASP A 45 -4.530 -12.258 -5.134 1.00 0.00 O ATOM 617 OD2 ASP A 45 -2.592 -11.514 -5.942 1.00 0.00 O ATOM 0 H ASP A 45 -3.823 -12.955 -1.307 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.938 -13.432 -3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.709 -11.052 -3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.090 -10.770 -3.630 1.00 0.00 H new ATOM 622 N GLU A 46 -0.294 -13.014 -1.673 1.00 0.00 N ATOM 623 CA GLU A 46 0.755 -12.685 -0.722 1.00 0.00 C ATOM 624 C GLU A 46 1.532 -11.455 -1.195 1.00 0.00 C ATOM 625 O GLU A 46 2.747 -11.517 -1.377 1.00 0.00 O ATOM 626 CB GLU A 46 1.691 -13.875 -0.505 1.00 0.00 C ATOM 627 CG GLU A 46 0.908 -15.118 -0.078 1.00 0.00 C ATOM 628 CD GLU A 46 1.225 -16.306 -0.989 1.00 0.00 C ATOM 629 OE1 GLU A 46 2.407 -16.422 -1.379 1.00 0.00 O ATOM 630 OE2 GLU A 46 0.278 -17.070 -1.275 1.00 0.00 O ATOM 0 H GLU A 46 -0.119 -13.851 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 46 0.291 -12.451 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.239 -14.084 -1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.430 -13.627 0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.154 -15.370 0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.161 -14.907 -0.108 1.00 0.00 H new ATOM 637 N GLY A 47 0.800 -10.367 -1.380 1.00 0.00 N ATOM 638 CA GLY A 47 1.406 -9.124 -1.828 1.00 0.00 C ATOM 639 C GLY A 47 1.149 -7.996 -0.827 1.00 0.00 C ATOM 640 O GLY A 47 0.318 -8.135 0.069 1.00 0.00 O ATOM 0 H GLY A 47 -0.207 -10.320 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.479 -9.264 -1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.002 -8.849 -2.802 1.00 0.00 H new ATOM 644 N ILE A 48 1.878 -6.906 -1.013 1.00 0.00 N ATOM 645 CA ILE A 48 1.739 -5.755 -0.136 1.00 0.00 C ATOM 646 C ILE A 48 0.668 -4.818 -0.698 1.00 0.00 C ATOM 647 O ILE A 48 0.811 -4.298 -1.804 1.00 0.00 O ATOM 648 CB ILE A 48 3.095 -5.080 0.080 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.024 -5.968 0.909 1.00 0.00 C ATOM 650 CG2 ILE A 48 2.924 -3.692 0.701 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.689 -5.872 2.399 1.00 0.00 C ATOM 0 H ILE A 48 2.566 -6.795 -1.757 1.00 0.00 H new ATOM 0 HA ILE A 48 1.403 -6.067 0.853 1.00 0.00 H new ATOM 0 HB ILE A 48 3.566 -4.942 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.934 -7.003 0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.060 -5.670 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.903 -3.234 0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.325 -3.068 0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.422 -3.784 1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.364 -6.513 2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.803 -4.840 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.661 -6.194 2.562 1.00 0.00 H new ATOM 663 N PHE A 49 -0.381 -4.631 0.089 1.00 0.00 N ATOM 664 CA PHE A 49 -1.476 -3.766 -0.316 1.00 0.00 C ATOM 665 C PHE A 49 -1.650 -2.605 0.666 1.00 0.00 C ATOM 666 O PHE A 49 -1.279 -2.715 1.834 1.00 0.00 O ATOM 667 CB PHE A 49 -2.746 -4.618 -0.309 1.00 0.00 C ATOM 668 CG PHE A 49 -2.899 -5.516 -1.539 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.962 -6.463 -1.810 1.00 0.00 C ATOM 670 CD2 PHE A 49 -3.973 -5.367 -2.361 1.00 0.00 C ATOM 671 CE1 PHE A 49 -2.104 -7.296 -2.952 1.00 0.00 C ATOM 672 CE2 PHE A 49 -4.115 -6.200 -3.502 1.00 0.00 C ATOM 673 CZ PHE A 49 -3.177 -7.147 -3.773 1.00 0.00 C ATOM 0 H PHE A 49 -0.496 -5.064 1.005 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.273 -3.346 -1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.749 -5.241 0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.612 -3.960 -0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.110 -6.582 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.718 -4.615 -2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.359 -8.048 -3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.967 -6.082 -4.154 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.285 -7.781 -4.641 1.00 0.00 H new ATOM 683 N ILE A 50 -2.214 -1.520 0.157 1.00 0.00 N ATOM 684 CA ILE A 50 -2.442 -0.341 0.975 1.00 0.00 C ATOM 685 C ILE A 50 -3.540 -0.640 1.998 1.00 0.00 C ATOM 686 O ILE A 50 -4.635 -1.064 1.633 1.00 0.00 O ATOM 687 CB ILE A 50 -2.737 0.874 0.093 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.569 1.162 -0.853 1.00 0.00 C ATOM 689 CG2 ILE A 50 -3.101 2.093 0.943 1.00 0.00 C ATOM 690 CD1 ILE A 50 -0.236 1.128 -0.103 1.00 0.00 C ATOM 0 H ILE A 50 -2.520 -1.432 -0.812 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.543 -0.087 1.537 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.603 0.644 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.557 0.426 -1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.705 2.139 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.306 2.943 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.987 1.870 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.270 2.336 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.578 1.336 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.242 1.882 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.093 0.142 0.340 1.00 0.00 H new ATOM 702 N SER A 51 -3.208 -0.406 3.259 1.00 0.00 N ATOM 703 CA SER A 51 -4.152 -0.644 4.338 1.00 0.00 C ATOM 704 C SER A 51 -4.905 0.646 4.669 1.00 0.00 C ATOM 705 O SER A 51 -6.101 0.616 4.953 1.00 0.00 O ATOM 706 CB SER A 51 -3.442 -1.179 5.583 1.00 0.00 C ATOM 707 OG SER A 51 -4.000 -0.652 6.784 1.00 0.00 O ATOM 0 H SER A 51 -2.298 -0.054 3.558 1.00 0.00 H new ATOM 0 HA SER A 51 -4.866 -1.399 4.008 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.509 -2.267 5.599 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.383 -0.925 5.534 1.00 0.00 H new ATOM 0 HG SER A 51 -3.521 -1.019 7.556 1.00 0.00 H new ATOM 713 N ARG A 52 -4.172 1.749 4.623 1.00 0.00 N ATOM 714 CA ARG A 52 -4.756 3.048 4.915 1.00 0.00 C ATOM 715 C ARG A 52 -3.974 4.153 4.203 1.00 0.00 C ATOM 716 O ARG A 52 -2.789 3.992 3.911 1.00 0.00 O ATOM 717 CB ARG A 52 -4.760 3.324 6.420 1.00 0.00 C ATOM 718 CG ARG A 52 -5.819 4.367 6.783 1.00 0.00 C ATOM 719 CD ARG A 52 -7.208 3.922 6.321 1.00 0.00 C ATOM 720 NE ARG A 52 -8.226 4.333 7.313 1.00 0.00 N ATOM 721 CZ ARG A 52 -8.528 3.632 8.414 1.00 0.00 C ATOM 722 NH1 ARG A 52 -7.892 2.482 8.672 1.00 0.00 N ATOM 723 NH2 ARG A 52 -9.467 4.082 9.259 1.00 0.00 N ATOM 0 H ARG A 52 -3.180 1.770 4.388 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.785 3.037 4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.955 2.399 6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.776 3.675 6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.824 4.525 7.861 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.567 5.322 6.322 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.436 4.362 5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.229 2.840 6.193 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.729 5.205 7.148 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.177 2.139 8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.122 1.949 9.510 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.951 4.958 9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.697 3.548 10.097 1.00 0.00 H new ATOM 737 N VAL A 53 -4.667 5.252 3.943 1.00 0.00 N ATOM 738 CA VAL A 53 -4.052 6.384 3.271 1.00 0.00 C ATOM 739 C VAL A 53 -4.436 7.674 3.999 1.00 0.00 C ATOM 740 O VAL A 53 -5.545 8.178 3.833 1.00 0.00 O ATOM 741 CB VAL A 53 -4.447 6.392 1.792 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.231 7.775 1.175 1.00 0.00 C ATOM 743 CG2 VAL A 53 -3.683 5.318 1.015 1.00 0.00 C ATOM 0 H VAL A 53 -5.649 5.383 4.186 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.965 6.303 3.303 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.510 6.159 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.519 7.754 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.840 8.508 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.179 8.050 1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.982 5.345 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.612 5.506 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.910 4.337 1.432 1.00 0.00 H new ATOM 753 N SER A 54 -3.496 8.170 4.790 1.00 0.00 N ATOM 754 CA SER A 54 -3.722 9.392 5.544 1.00 0.00 C ATOM 755 C SER A 54 -4.299 10.473 4.628 1.00 0.00 C ATOM 756 O SER A 54 -3.588 11.027 3.790 1.00 0.00 O ATOM 757 CB SER A 54 -2.428 9.884 6.195 1.00 0.00 C ATOM 758 OG SER A 54 -2.169 9.225 7.432 1.00 0.00 O ATOM 0 H SER A 54 -2.577 7.749 4.925 1.00 0.00 H new ATOM 0 HA SER A 54 -4.438 9.177 6.337 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.593 9.718 5.514 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.493 10.959 6.363 1.00 0.00 H new ATOM 0 HG SER A 54 -1.334 9.565 7.815 1.00 0.00 H new ATOM 764 N GLU A 55 -5.582 10.742 4.819 1.00 0.00 N ATOM 765 CA GLU A 55 -6.263 11.747 4.020 1.00 0.00 C ATOM 766 C GLU A 55 -5.423 13.023 3.944 1.00 0.00 C ATOM 767 O GLU A 55 -5.175 13.544 2.858 1.00 0.00 O ATOM 768 CB GLU A 55 -7.656 12.040 4.580 1.00 0.00 C ATOM 769 CG GLU A 55 -8.745 11.607 3.597 1.00 0.00 C ATOM 770 CD GLU A 55 -10.107 12.177 3.999 1.00 0.00 C ATOM 771 OE1 GLU A 55 -10.331 13.371 3.707 1.00 0.00 O ATOM 772 OE2 GLU A 55 -10.893 11.406 4.591 1.00 0.00 O ATOM 0 H GLU A 55 -6.168 10.282 5.515 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.388 11.357 3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.788 11.518 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.751 13.106 4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.488 11.944 2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.798 10.519 3.564 1.00 0.00 H new ATOM 779 N GLU A 56 -5.007 13.490 5.113 1.00 0.00 N ATOM 780 CA GLU A 56 -4.200 14.696 5.192 1.00 0.00 C ATOM 781 C GLU A 56 -2.713 14.337 5.229 1.00 0.00 C ATOM 782 O GLU A 56 -1.936 14.967 5.945 1.00 0.00 O ATOM 783 CB GLU A 56 -4.590 15.538 6.408 1.00 0.00 C ATOM 784 CG GLU A 56 -4.939 16.969 5.994 1.00 0.00 C ATOM 785 CD GLU A 56 -5.584 17.733 7.152 1.00 0.00 C ATOM 786 OE1 GLU A 56 -4.822 18.147 8.053 1.00 0.00 O ATOM 787 OE2 GLU A 56 -6.824 17.887 7.110 1.00 0.00 O ATOM 0 H GLU A 56 -5.214 13.055 6.012 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.388 15.295 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.443 15.083 6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.768 15.553 7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.037 17.488 5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.620 16.949 5.143 1.00 0.00 H new ATOM 794 N GLY A 57 -2.361 13.326 4.448 1.00 0.00 N ATOM 795 CA GLY A 57 -0.981 12.876 4.382 1.00 0.00 C ATOM 796 C GLY A 57 -0.352 13.230 3.033 1.00 0.00 C ATOM 797 O GLY A 57 -1.004 13.828 2.178 1.00 0.00 O ATOM 0 H GLY A 57 -3.008 12.806 3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.406 13.335 5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.939 11.798 4.535 1.00 0.00 H new ATOM 801 N PRO A 58 0.940 12.837 2.880 1.00 0.00 N ATOM 802 CA PRO A 58 1.664 13.106 1.649 1.00 0.00 C ATOM 803 C PRO A 58 1.210 12.168 0.529 1.00 0.00 C ATOM 804 O PRO A 58 0.958 12.610 -0.591 1.00 0.00 O ATOM 805 CB PRO A 58 3.131 12.934 2.010 1.00 0.00 C ATOM 806 CG PRO A 58 3.152 12.126 3.297 1.00 0.00 C ATOM 807 CD PRO A 58 1.744 12.127 3.871 1.00 0.00 C ATOM 0 HA PRO A 58 1.477 14.108 1.262 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.671 12.418 1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.615 13.901 2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.484 11.106 3.102 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.855 12.560 4.009 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.378 11.112 4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.711 12.627 4.839 1.00 0.00 H new ATOM 815 N ALA A 59 1.119 10.891 0.871 1.00 0.00 N ATOM 816 CA ALA A 59 0.699 9.887 -0.092 1.00 0.00 C ATOM 817 C ALA A 59 -0.609 10.333 -0.749 1.00 0.00 C ATOM 818 O ALA A 59 -0.735 10.302 -1.973 1.00 0.00 O ATOM 819 CB ALA A 59 0.569 8.533 0.606 1.00 0.00 C ATOM 0 H ALA A 59 1.329 10.529 1.801 1.00 0.00 H new ATOM 0 HA ALA A 59 1.443 9.776 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.254 7.780 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.532 8.248 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.172 8.604 1.403 1.00 0.00 H new ATOM 825 N ALA A 60 -1.549 10.735 0.092 1.00 0.00 N ATOM 826 CA ALA A 60 -2.843 11.186 -0.391 1.00 0.00 C ATOM 827 C ALA A 60 -2.637 12.190 -1.527 1.00 0.00 C ATOM 828 O ALA A 60 -3.339 12.144 -2.536 1.00 0.00 O ATOM 829 CB ALA A 60 -3.645 11.777 0.770 1.00 0.00 C ATOM 0 H ALA A 60 -1.441 10.758 1.106 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.416 10.349 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.616 12.115 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.789 11.016 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.102 12.622 1.195 1.00 0.00 H new ATOM 835 N ARG A 61 -1.671 13.074 -1.325 1.00 0.00 N ATOM 836 CA ARG A 61 -1.363 14.087 -2.320 1.00 0.00 C ATOM 837 C ARG A 61 -0.902 13.430 -3.622 1.00 0.00 C ATOM 838 O ARG A 61 -1.339 13.816 -4.705 1.00 0.00 O ATOM 839 CB ARG A 61 -0.271 15.035 -1.821 1.00 0.00 C ATOM 840 CG ARG A 61 -0.665 15.671 -0.486 1.00 0.00 C ATOM 841 CD ARG A 61 0.294 16.804 -0.114 1.00 0.00 C ATOM 842 NE ARG A 61 -0.087 17.380 1.195 1.00 0.00 N ATOM 843 CZ ARG A 61 0.298 18.589 1.625 1.00 0.00 C ATOM 844 NH1 ARG A 61 1.077 19.358 0.851 1.00 0.00 N ATOM 845 NH2 ARG A 61 -0.095 19.030 2.827 1.00 0.00 N ATOM 0 H ARG A 61 -1.091 13.110 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.272 14.661 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.665 14.489 -1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.095 15.815 -2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.682 16.057 -0.549 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.660 14.913 0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.316 16.427 -0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.271 17.578 -0.882 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.680 16.821 1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.376 19.022 -0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.370 20.279 1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.688 18.445 3.416 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.199 19.951 3.153 1.00 0.00 H new ATOM 859 N ALA A 62 -0.025 12.447 -3.474 1.00 0.00 N ATOM 860 CA ALA A 62 0.500 11.733 -4.625 1.00 0.00 C ATOM 861 C ALA A 62 -0.663 11.160 -5.438 1.00 0.00 C ATOM 862 O ALA A 62 -0.581 11.065 -6.662 1.00 0.00 O ATOM 863 CB ALA A 62 1.471 10.649 -4.153 1.00 0.00 C ATOM 0 H ALA A 62 0.335 12.129 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 62 1.056 12.408 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.865 10.113 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.293 11.110 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.947 9.951 -3.500 1.00 0.00 H new ATOM 869 N GLY A 63 -1.717 10.793 -4.725 1.00 0.00 N ATOM 870 CA GLY A 63 -2.895 10.233 -5.366 1.00 0.00 C ATOM 871 C GLY A 63 -3.007 8.732 -5.090 1.00 0.00 C ATOM 872 O GLY A 63 -3.535 7.984 -5.911 1.00 0.00 O ATOM 0 H GLY A 63 -1.780 10.872 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.788 10.741 -5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.846 10.406 -6.441 1.00 0.00 H new ATOM 876 N VAL A 64 -2.501 8.336 -3.931 1.00 0.00 N ATOM 877 CA VAL A 64 -2.537 6.938 -3.537 1.00 0.00 C ATOM 878 C VAL A 64 -3.964 6.565 -3.127 1.00 0.00 C ATOM 879 O VAL A 64 -4.696 7.394 -2.590 1.00 0.00 O ATOM 880 CB VAL A 64 -1.511 6.679 -2.432 1.00 0.00 C ATOM 881 CG1 VAL A 64 -1.986 7.255 -1.097 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.206 5.185 -2.307 1.00 0.00 C ATOM 0 H VAL A 64 -2.064 8.959 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.261 6.298 -4.375 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.587 7.188 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.238 7.057 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.129 8.331 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.929 6.788 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.474 5.028 -1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.122 4.645 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.804 4.815 -3.250 1.00 0.00 H new ATOM 892 N ARG A 65 -4.315 5.316 -3.397 1.00 0.00 N ATOM 893 CA ARG A 65 -5.640 4.823 -3.063 1.00 0.00 C ATOM 894 C ARG A 65 -5.538 3.499 -2.303 1.00 0.00 C ATOM 895 O ARG A 65 -4.773 2.616 -2.687 1.00 0.00 O ATOM 896 CB ARG A 65 -6.484 4.616 -4.323 1.00 0.00 C ATOM 897 CG ARG A 65 -6.798 5.953 -4.998 1.00 0.00 C ATOM 898 CD ARG A 65 -7.864 5.782 -6.082 1.00 0.00 C ATOM 899 NE ARG A 65 -7.767 6.884 -7.066 1.00 0.00 N ATOM 900 CZ ARG A 65 -6.946 6.875 -8.125 1.00 0.00 C ATOM 901 NH1 ARG A 65 -6.147 5.823 -8.345 1.00 0.00 N ATOM 902 NH2 ARG A 65 -6.925 7.920 -8.965 1.00 0.00 N ATOM 0 H ARG A 65 -3.705 4.631 -3.843 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.123 5.571 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.951 3.969 -5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.413 4.108 -4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.144 6.669 -4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.890 6.365 -5.438 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.734 4.823 -6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.856 5.773 -5.630 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.362 7.701 -6.929 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.163 5.028 -7.706 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.522 5.817 -9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.534 8.721 -8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.300 7.914 -9.771 1.00 0.00 H new ATOM 916 N VAL A 66 -6.321 3.404 -1.238 1.00 0.00 N ATOM 917 CA VAL A 66 -6.329 2.203 -0.420 1.00 0.00 C ATOM 918 C VAL A 66 -6.703 1.001 -1.290 1.00 0.00 C ATOM 919 O VAL A 66 -7.559 1.108 -2.167 1.00 0.00 O ATOM 920 CB VAL A 66 -7.264 2.390 0.776 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.472 1.070 1.521 1.00 0.00 C ATOM 922 CG2 VAL A 66 -6.739 3.474 1.718 1.00 0.00 C ATOM 0 H VAL A 66 -6.954 4.139 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.336 2.012 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.232 2.717 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.141 1.231 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.912 0.336 0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.512 0.701 1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.422 3.587 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.753 3.190 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.667 4.419 1.180 1.00 0.00 H new ATOM 932 N GLY A 67 -6.044 -0.115 -1.017 1.00 0.00 N ATOM 933 CA GLY A 67 -6.297 -1.336 -1.763 1.00 0.00 C ATOM 934 C GLY A 67 -5.240 -1.543 -2.850 1.00 0.00 C ATOM 935 O GLY A 67 -5.098 -2.643 -3.381 1.00 0.00 O ATOM 0 H GLY A 67 -5.335 -0.200 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.297 -2.188 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.287 -1.291 -2.217 1.00 0.00 H new ATOM 939 N ASP A 68 -4.526 -0.467 -3.149 1.00 0.00 N ATOM 940 CA ASP A 68 -3.487 -0.517 -4.163 1.00 0.00 C ATOM 941 C ASP A 68 -2.498 -1.634 -3.820 1.00 0.00 C ATOM 942 O ASP A 68 -2.118 -1.796 -2.661 1.00 0.00 O ATOM 943 CB ASP A 68 -2.711 0.800 -4.222 1.00 0.00 C ATOM 944 CG ASP A 68 -2.832 1.564 -5.542 1.00 0.00 C ATOM 945 OD1 ASP A 68 -2.929 0.882 -6.585 1.00 0.00 O ATOM 946 OD2 ASP A 68 -2.824 2.812 -5.478 1.00 0.00 O ATOM 0 H ASP A 68 -4.647 0.444 -2.707 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.965 -0.698 -5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.057 1.444 -3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.657 0.592 -4.035 1.00 0.00 H new ATOM 951 N LYS A 69 -2.111 -2.374 -4.848 1.00 0.00 N ATOM 952 CA LYS A 69 -1.174 -3.471 -4.669 1.00 0.00 C ATOM 953 C LYS A 69 0.228 -3.008 -5.069 1.00 0.00 C ATOM 954 O LYS A 69 0.601 -3.086 -6.239 1.00 0.00 O ATOM 955 CB LYS A 69 -1.652 -4.712 -5.426 1.00 0.00 C ATOM 956 CG LYS A 69 -0.581 -5.805 -5.418 1.00 0.00 C ATOM 957 CD LYS A 69 -0.959 -6.950 -6.359 1.00 0.00 C ATOM 958 CE LYS A 69 -0.205 -8.231 -5.994 1.00 0.00 C ATOM 959 NZ LYS A 69 -1.151 -9.354 -5.809 1.00 0.00 N ATOM 0 H LYS A 69 -2.429 -2.236 -5.807 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.126 -3.765 -3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.567 -5.091 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.896 -4.444 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.377 -5.382 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.455 -6.188 -4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.033 -7.129 -6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.732 -6.670 -7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.510 -8.476 -6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.367 -8.075 -5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.669 -10.137 -5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.960 -9.036 -5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.490 -9.679 -6.737 1.00 0.00 H new ATOM 973 N LEU A 70 0.967 -2.536 -4.076 1.00 0.00 N ATOM 974 CA LEU A 70 2.319 -2.060 -4.310 1.00 0.00 C ATOM 975 C LEU A 70 3.112 -3.136 -5.055 1.00 0.00 C ATOM 976 O LEU A 70 2.967 -4.325 -4.775 1.00 0.00 O ATOM 977 CB LEU A 70 2.967 -1.619 -2.996 1.00 0.00 C ATOM 978 CG LEU A 70 3.613 -0.232 -2.999 1.00 0.00 C ATOM 979 CD1 LEU A 70 4.488 -0.032 -1.760 1.00 0.00 C ATOM 980 CD2 LEU A 70 4.390 0.008 -4.294 1.00 0.00 C ATOM 0 H LEU A 70 0.655 -2.473 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 70 2.306 -1.175 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.208 -1.643 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.727 -2.352 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 70 2.820 0.514 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.935 0.962 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.877 -0.131 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.276 -0.784 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.839 1.001 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.174 -0.743 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.711 -0.063 -5.144 1.00 0.00 H new ATOM 992 N LEU A 71 3.932 -2.680 -5.991 1.00 0.00 N ATOM 993 CA LEU A 71 4.747 -3.589 -6.778 1.00 0.00 C ATOM 994 C LEU A 71 6.225 -3.249 -6.574 1.00 0.00 C ATOM 995 O LEU A 71 7.056 -4.143 -6.424 1.00 0.00 O ATOM 996 CB LEU A 71 4.309 -3.569 -8.244 1.00 0.00 C ATOM 997 CG LEU A 71 2.799 -3.594 -8.492 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.477 -3.237 -9.945 1.00 0.00 C ATOM 999 CD2 LEU A 71 2.199 -4.942 -8.087 1.00 0.00 C ATOM 0 H LEU A 71 4.049 -1.693 -6.222 1.00 0.00 H new ATOM 0 HA LEU A 71 4.606 -4.616 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.720 -2.675 -8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.754 -4.427 -8.748 1.00 0.00 H new ATOM 0 HG LEU A 71 2.336 -2.834 -7.863 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.398 -3.262 -10.095 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.851 -2.237 -10.166 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.953 -3.957 -10.611 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.125 -4.933 -8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.662 -5.737 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.382 -5.118 -7.027 1.00 0.00 H new ATOM 1011 N GLU A 72 6.507 -1.954 -6.575 1.00 0.00 N ATOM 1012 CA GLU A 72 7.870 -1.485 -6.392 1.00 0.00 C ATOM 1013 C GLU A 72 7.873 -0.118 -5.705 1.00 0.00 C ATOM 1014 O GLU A 72 6.946 0.671 -5.881 1.00 0.00 O ATOM 1015 CB GLU A 72 8.614 -1.429 -7.728 1.00 0.00 C ATOM 1016 CG GLU A 72 9.757 -0.412 -7.676 1.00 0.00 C ATOM 1017 CD GLU A 72 9.237 1.009 -7.906 1.00 0.00 C ATOM 1018 OE1 GLU A 72 8.541 1.200 -8.926 1.00 0.00 O ATOM 1019 OE2 GLU A 72 9.548 1.871 -7.056 1.00 0.00 O ATOM 0 H GLU A 72 5.815 -1.215 -6.700 1.00 0.00 H new ATOM 0 HA GLU A 72 8.395 -2.193 -5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.010 -2.415 -7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.920 -1.161 -8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.255 -0.469 -6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.502 -0.658 -8.433 1.00 0.00 H new ATOM 1026 N VAL A 73 8.925 0.120 -4.936 1.00 0.00 N ATOM 1027 CA VAL A 73 9.061 1.378 -4.221 1.00 0.00 C ATOM 1028 C VAL A 73 10.508 1.863 -4.322 1.00 0.00 C ATOM 1029 O VAL A 73 11.419 1.226 -3.795 1.00 0.00 O ATOM 1030 CB VAL A 73 8.585 1.212 -2.776 1.00 0.00 C ATOM 1031 CG1 VAL A 73 8.871 2.473 -1.957 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.099 0.852 -2.726 1.00 0.00 C ATOM 0 H VAL A 73 9.692 -0.537 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 73 8.430 2.144 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 73 9.144 0.389 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.523 2.329 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.943 2.668 -1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.350 3.321 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.787 0.740 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.517 1.644 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.934 -0.085 -3.258 1.00 0.00 H new ATOM 1042 N ASN A 74 10.676 2.987 -5.003 1.00 0.00 N ATOM 1043 CA ASN A 74 11.997 3.565 -5.180 1.00 0.00 C ATOM 1044 C ASN A 74 12.749 2.788 -6.262 1.00 0.00 C ATOM 1045 O ASN A 74 13.914 3.068 -6.536 1.00 0.00 O ATOM 1046 CB ASN A 74 12.811 3.484 -3.887 1.00 0.00 C ATOM 1047 CG ASN A 74 13.458 4.831 -3.560 1.00 0.00 C ATOM 1048 OD1 ASN A 74 14.669 4.970 -3.503 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.586 5.813 -3.351 1.00 0.00 N ATOM 0 H ASN A 74 9.919 3.513 -5.439 1.00 0.00 H new ATOM 0 HA ASN A 74 11.872 4.610 -5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.164 3.178 -3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.583 2.721 -3.986 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.918 6.751 -3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.585 5.628 -3.414 1.00 0.00 H new ATOM 1056 N GLY A 75 12.050 1.826 -6.847 1.00 0.00 N ATOM 1057 CA GLY A 75 12.637 1.005 -7.893 1.00 0.00 C ATOM 1058 C GLY A 75 12.783 -0.447 -7.434 1.00 0.00 C ATOM 1059 O GLY A 75 12.907 -1.352 -8.257 1.00 0.00 O ATOM 0 H GLY A 75 11.083 1.597 -6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.013 1.047 -8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.614 1.403 -8.168 1.00 0.00 H new ATOM 1063 N VAL A 76 12.764 -0.624 -6.121 1.00 0.00 N ATOM 1064 CA VAL A 76 12.892 -1.951 -5.543 1.00 0.00 C ATOM 1065 C VAL A 76 11.567 -2.700 -5.696 1.00 0.00 C ATOM 1066 O VAL A 76 10.508 -2.170 -5.362 1.00 0.00 O ATOM 1067 CB VAL A 76 13.354 -1.845 -4.088 1.00 0.00 C ATOM 1068 CG1 VAL A 76 12.282 -1.184 -3.219 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.740 -3.218 -3.534 1.00 0.00 C ATOM 0 H VAL A 76 12.662 0.129 -5.441 1.00 0.00 H new ATOM 0 HA VAL A 76 13.653 -2.526 -6.071 1.00 0.00 H new ATOM 0 HB VAL A 76 14.241 -1.213 -4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.636 -1.121 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.077 -0.181 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.369 -1.778 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.065 -3.114 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.878 -3.884 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.553 -3.635 -4.129 1.00 0.00 H new ATOM 1079 N ALA A 77 11.669 -3.920 -6.202 1.00 0.00 N ATOM 1080 CA ALA A 77 10.491 -4.747 -6.403 1.00 0.00 C ATOM 1081 C ALA A 77 10.011 -5.281 -5.052 1.00 0.00 C ATOM 1082 O ALA A 77 10.727 -6.026 -4.385 1.00 0.00 O ATOM 1083 CB ALA A 77 10.818 -5.869 -7.391 1.00 0.00 C ATOM 0 H ALA A 77 12.549 -4.356 -6.479 1.00 0.00 H new ATOM 0 HA ALA A 77 9.679 -4.160 -6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.935 -6.490 -7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.125 -5.437 -8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.627 -6.481 -6.992 1.00 0.00 H new ATOM 1089 N LEU A 78 8.801 -4.881 -4.690 1.00 0.00 N ATOM 1090 CA LEU A 78 8.217 -5.310 -3.431 1.00 0.00 C ATOM 1091 C LEU A 78 7.154 -6.376 -3.704 1.00 0.00 C ATOM 1092 O LEU A 78 6.159 -6.463 -2.985 1.00 0.00 O ATOM 1093 CB LEU A 78 7.693 -4.106 -2.645 1.00 0.00 C ATOM 1094 CG LEU A 78 8.755 -3.167 -2.068 1.00 0.00 C ATOM 1095 CD1 LEU A 78 8.117 -2.093 -1.186 1.00 0.00 C ATOM 1096 CD2 LEU A 78 9.835 -3.954 -1.323 1.00 0.00 C ATOM 0 H LEU A 78 8.209 -4.264 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 78 8.975 -5.770 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.041 -3.527 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.077 -4.473 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 78 9.244 -2.654 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.894 -1.440 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.416 -1.505 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.586 -2.568 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.577 -3.264 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.380 -4.512 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.319 -4.648 -2.010 1.00 0.00 H new ATOM 1108 N GLN A 79 7.400 -7.159 -4.743 1.00 0.00 N ATOM 1109 CA GLN A 79 6.476 -8.215 -5.120 1.00 0.00 C ATOM 1110 C GLN A 79 6.796 -9.499 -4.351 1.00 0.00 C ATOM 1111 O GLN A 79 7.420 -10.411 -4.891 1.00 0.00 O ATOM 1112 CB GLN A 79 6.508 -8.459 -6.630 1.00 0.00 C ATOM 1113 CG GLN A 79 5.254 -7.897 -7.303 1.00 0.00 C ATOM 1114 CD GLN A 79 4.893 -8.705 -8.551 1.00 0.00 C ATOM 1115 OE1 GLN A 79 5.329 -8.420 -9.654 1.00 0.00 O ATOM 1116 NE2 GLN A 79 4.074 -9.726 -8.316 1.00 0.00 N ATOM 0 H GLN A 79 8.226 -7.084 -5.336 1.00 0.00 H new ATOM 0 HA GLN A 79 5.467 -7.898 -4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.395 -7.993 -7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.583 -9.528 -6.828 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.421 -7.915 -6.600 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.419 -6.855 -7.575 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.746 -9.909 -7.368 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.774 -10.326 -9.084 1.00 0.00 H new ATOM 1125 N GLY A 80 6.353 -9.528 -3.103 1.00 0.00 N ATOM 1126 CA GLY A 80 6.584 -10.685 -2.254 1.00 0.00 C ATOM 1127 C GLY A 80 7.391 -10.301 -1.012 1.00 0.00 C ATOM 1128 O GLY A 80 7.217 -10.893 0.053 1.00 0.00 O ATOM 0 H GLY A 80 5.835 -8.769 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.629 -11.116 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.117 -11.452 -2.816 1.00 0.00 H new ATOM 1132 N ALA A 81 8.255 -9.312 -1.189 1.00 0.00 N ATOM 1133 CA ALA A 81 9.089 -8.843 -0.095 1.00 0.00 C ATOM 1134 C ALA A 81 8.266 -8.820 1.195 1.00 0.00 C ATOM 1135 O ALA A 81 7.118 -8.379 1.195 1.00 0.00 O ATOM 1136 CB ALA A 81 9.663 -7.468 -0.445 1.00 0.00 C ATOM 0 H ALA A 81 8.396 -8.823 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 81 9.930 -9.518 0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.289 -7.115 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.263 -7.544 -1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.847 -6.764 -0.608 1.00 0.00 H new ATOM 1142 N GLU A 82 8.885 -9.301 2.262 1.00 0.00 N ATOM 1143 CA GLU A 82 8.225 -9.342 3.556 1.00 0.00 C ATOM 1144 C GLU A 82 7.921 -7.923 4.042 1.00 0.00 C ATOM 1145 O GLU A 82 8.484 -6.955 3.533 1.00 0.00 O ATOM 1146 CB GLU A 82 9.070 -10.103 4.580 1.00 0.00 C ATOM 1147 CG GLU A 82 8.788 -11.605 4.515 1.00 0.00 C ATOM 1148 CD GLU A 82 9.768 -12.386 5.393 1.00 0.00 C ATOM 1149 OE1 GLU A 82 10.961 -12.418 5.021 1.00 0.00 O ATOM 1150 OE2 GLU A 82 9.303 -12.932 6.416 1.00 0.00 O ATOM 0 H GLU A 82 9.837 -9.666 2.258 1.00 0.00 H new ATOM 0 HA GLU A 82 7.282 -9.877 3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.128 -9.919 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.855 -9.732 5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.767 -11.801 4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.865 -11.949 3.483 1.00 0.00 H new ATOM 1157 N HIS A 83 7.032 -7.845 5.021 1.00 0.00 N ATOM 1158 CA HIS A 83 6.647 -6.561 5.581 1.00 0.00 C ATOM 1159 C HIS A 83 7.887 -5.678 5.742 1.00 0.00 C ATOM 1160 O HIS A 83 7.977 -4.612 5.135 1.00 0.00 O ATOM 1161 CB HIS A 83 5.879 -6.747 6.891 1.00 0.00 C ATOM 1162 CG HIS A 83 4.653 -5.875 7.013 1.00 0.00 C ATOM 1163 ND1 HIS A 83 3.627 -5.888 6.084 1.00 0.00 N ATOM 1164 CD2 HIS A 83 4.298 -4.964 7.965 1.00 0.00 C ATOM 1165 CE1 HIS A 83 2.703 -5.020 6.468 1.00 0.00 C ATOM 1166 NE2 HIS A 83 3.121 -4.448 7.634 1.00 0.00 N ATOM 0 H HIS A 83 6.567 -8.650 5.441 1.00 0.00 H new ATOM 0 HA HIS A 83 5.967 -6.052 4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.580 -7.791 6.980 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.548 -6.535 7.725 1.00 0.00 H new ATOM 0 HD1 HIS A 83 3.589 -6.468 5.246 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.877 -4.707 8.840 1.00 0.00 H new ATOM 0 HE1 HIS A 83 1.781 -4.803 5.949 1.00 0.00 H new ATOM 1174 N HIS A 84 8.811 -6.155 6.562 1.00 0.00 N ATOM 1175 CA HIS A 84 10.041 -5.423 6.810 1.00 0.00 C ATOM 1176 C HIS A 84 10.646 -4.970 5.480 1.00 0.00 C ATOM 1177 O HIS A 84 10.893 -3.781 5.279 1.00 0.00 O ATOM 1178 CB HIS A 84 11.011 -6.259 7.648 1.00 0.00 C ATOM 1179 CG HIS A 84 11.641 -7.407 6.895 1.00 0.00 C ATOM 1180 ND1 HIS A 84 12.907 -7.335 6.341 1.00 0.00 N ATOM 1181 CD2 HIS A 84 11.166 -8.654 6.612 1.00 0.00 C ATOM 1182 CE1 HIS A 84 13.172 -8.493 5.753 1.00 0.00 C ATOM 1183 NE2 HIS A 84 12.092 -9.308 5.921 1.00 0.00 N ATOM 0 H HIS A 84 8.733 -7.040 7.063 1.00 0.00 H new ATOM 0 HA HIS A 84 9.824 -4.529 7.394 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.800 -5.610 8.027 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.480 -6.654 8.514 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.201 -9.043 6.901 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.084 -8.746 5.232 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.009 -10.263 5.573 1.00 0.00 H new ATOM 1191 N GLU A 85 10.867 -5.940 4.606 1.00 0.00 N ATOM 1192 CA GLU A 85 11.437 -5.655 3.300 1.00 0.00 C ATOM 1193 C GLU A 85 10.742 -4.448 2.669 1.00 0.00 C ATOM 1194 O GLU A 85 11.399 -3.573 2.105 1.00 0.00 O ATOM 1195 CB GLU A 85 11.350 -6.879 2.385 1.00 0.00 C ATOM 1196 CG GLU A 85 12.264 -8.001 2.881 1.00 0.00 C ATOM 1197 CD GLU A 85 13.002 -8.663 1.716 1.00 0.00 C ATOM 1198 OE1 GLU A 85 14.004 -8.067 1.267 1.00 0.00 O ATOM 1199 OE2 GLU A 85 12.546 -9.751 1.301 1.00 0.00 O ATOM 0 H GLU A 85 10.662 -6.925 4.776 1.00 0.00 H new ATOM 0 HA GLU A 85 12.492 -5.414 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.321 -7.235 2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.630 -6.599 1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.986 -7.599 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.674 -8.747 3.413 1.00 0.00 H new ATOM 1206 N ALA A 86 9.422 -4.438 2.784 1.00 0.00 N ATOM 1207 CA ALA A 86 8.631 -3.352 2.232 1.00 0.00 C ATOM 1208 C ALA A 86 8.971 -2.053 2.966 1.00 0.00 C ATOM 1209 O ALA A 86 9.454 -1.100 2.357 1.00 0.00 O ATOM 1210 CB ALA A 86 7.145 -3.703 2.327 1.00 0.00 C ATOM 0 H ALA A 86 8.881 -5.165 3.252 1.00 0.00 H new ATOM 0 HA ALA A 86 8.865 -3.205 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.551 -2.888 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.950 -4.616 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.873 -3.855 3.372 1.00 0.00 H new ATOM 1216 N VAL A 87 8.707 -2.059 4.264 1.00 0.00 N ATOM 1217 CA VAL A 87 8.979 -0.893 5.088 1.00 0.00 C ATOM 1218 C VAL A 87 10.376 -0.360 4.765 1.00 0.00 C ATOM 1219 O VAL A 87 10.540 0.822 4.466 1.00 0.00 O ATOM 1220 CB VAL A 87 8.801 -1.244 6.567 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.267 -0.095 7.463 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.349 -1.622 6.869 1.00 0.00 C ATOM 0 H VAL A 87 8.308 -2.852 4.766 1.00 0.00 H new ATOM 0 HA VAL A 87 8.268 -0.097 4.868 1.00 0.00 H new ATOM 0 HB VAL A 87 9.425 -2.111 6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.130 -0.370 8.509 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.322 0.107 7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.682 0.798 7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.249 -1.867 7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.697 -0.783 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.065 -2.486 6.268 1.00 0.00 H new ATOM 1232 N GLU A 88 11.348 -1.258 4.835 1.00 0.00 N ATOM 1233 CA GLU A 88 12.726 -0.893 4.553 1.00 0.00 C ATOM 1234 C GLU A 88 12.792 0.033 3.337 1.00 0.00 C ATOM 1235 O GLU A 88 13.354 1.124 3.413 1.00 0.00 O ATOM 1236 CB GLU A 88 13.590 -2.138 4.342 1.00 0.00 C ATOM 1237 CG GLU A 88 14.772 -2.156 5.314 1.00 0.00 C ATOM 1238 CD GLU A 88 16.069 -1.754 4.609 1.00 0.00 C ATOM 1239 OE1 GLU A 88 16.021 -0.754 3.860 1.00 0.00 O ATOM 1240 OE2 GLU A 88 17.078 -2.456 4.833 1.00 0.00 O ATOM 0 H GLU A 88 11.208 -2.238 5.083 1.00 0.00 H new ATOM 0 HA GLU A 88 13.123 -0.357 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.985 -3.033 4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.958 -2.160 3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.577 -1.474 6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.880 -3.153 5.742 1.00 0.00 H new ATOM 1247 N ALA A 89 12.209 -0.437 2.244 1.00 0.00 N ATOM 1248 CA ALA A 89 12.194 0.336 1.013 1.00 0.00 C ATOM 1249 C ALA A 89 11.431 1.641 1.244 1.00 0.00 C ATOM 1250 O ALA A 89 11.860 2.703 0.796 1.00 0.00 O ATOM 1251 CB ALA A 89 11.584 -0.505 -0.110 1.00 0.00 C ATOM 0 H ALA A 89 11.744 -1.343 2.185 1.00 0.00 H new ATOM 0 HA ALA A 89 13.208 0.597 0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.573 0.074 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.180 -1.406 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.564 -0.783 0.156 1.00 0.00 H new ATOM 1257 N LEU A 90 10.312 1.519 1.944 1.00 0.00 N ATOM 1258 CA LEU A 90 9.485 2.677 2.240 1.00 0.00 C ATOM 1259 C LEU A 90 10.332 3.735 2.950 1.00 0.00 C ATOM 1260 O LEU A 90 10.450 4.863 2.473 1.00 0.00 O ATOM 1261 CB LEU A 90 8.240 2.259 3.025 1.00 0.00 C ATOM 1262 CG LEU A 90 7.100 1.657 2.202 1.00 0.00 C ATOM 1263 CD1 LEU A 90 6.147 0.854 3.090 1.00 0.00 C ATOM 1264 CD2 LEU A 90 6.367 2.739 1.406 1.00 0.00 C ATOM 0 H LEU A 90 9.959 0.637 2.314 1.00 0.00 H new ATOM 0 HA LEU A 90 9.117 3.128 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.538 1.533 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.858 3.132 3.554 1.00 0.00 H new ATOM 0 HG LEU A 90 7.530 0.962 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.346 0.437 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.695 0.044 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.721 1.508 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.561 2.284 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.951 3.476 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.066 3.229 0.728 1.00 0.00 H new ATOM 1276 N ARG A 91 10.901 3.334 4.077 1.00 0.00 N ATOM 1277 CA ARG A 91 11.734 4.234 4.857 1.00 0.00 C ATOM 1278 C ARG A 91 12.962 4.656 4.048 1.00 0.00 C ATOM 1279 O ARG A 91 13.529 5.722 4.283 1.00 0.00 O ATOM 1280 CB ARG A 91 12.191 3.573 6.158 1.00 0.00 C ATOM 1281 CG ARG A 91 13.609 3.014 6.020 1.00 0.00 C ATOM 1282 CD ARG A 91 13.903 1.987 7.116 1.00 0.00 C ATOM 1283 NE ARG A 91 15.352 1.965 7.413 1.00 0.00 N ATOM 1284 CZ ARG A 91 15.915 1.195 8.355 1.00 0.00 C ATOM 1285 NH1 ARG A 91 15.152 0.381 9.098 1.00 0.00 N ATOM 1286 NH2 ARG A 91 17.239 1.240 8.554 1.00 0.00 N ATOM 0 H ARG A 91 10.802 2.398 4.469 1.00 0.00 H new ATOM 0 HA ARG A 91 11.136 5.112 5.100 1.00 0.00 H new ATOM 0 HB2 ARG A 91 12.160 4.300 6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.504 2.770 6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.727 2.550 5.041 1.00 0.00 H new ATOM 0 HG3 ARG A 91 14.332 3.828 6.076 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.342 2.234 8.017 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.574 0.998 6.797 1.00 0.00 H new ATOM 0 HE ARG A 91 15.961 2.574 6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 91 14.144 0.348 8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.580 -0.205 9.815 1.00 0.00 H new ATOM 0 HH21 ARG A 91 17.819 1.860 7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 91 17.667 0.654 9.271 1.00 0.00 H new ATOM 1300 N GLY A 92 13.336 3.798 3.110 1.00 0.00 N ATOM 1301 CA GLY A 92 14.487 4.068 2.265 1.00 0.00 C ATOM 1302 C GLY A 92 14.063 4.753 0.964 1.00 0.00 C ATOM 1303 O GLY A 92 13.730 4.085 -0.013 1.00 0.00 O ATOM 0 H GLY A 92 12.862 2.916 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.195 4.701 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.003 3.135 2.038 1.00 0.00 H new ATOM 1307 N ALA A 93 14.089 6.077 0.995 1.00 0.00 N ATOM 1308 CA ALA A 93 13.712 6.860 -0.169 1.00 0.00 C ATOM 1309 C ALA A 93 14.013 8.337 0.095 1.00 0.00 C ATOM 1310 O ALA A 93 14.197 8.741 1.242 1.00 0.00 O ATOM 1311 CB ALA A 93 12.237 6.615 -0.493 1.00 0.00 C ATOM 0 H ALA A 93 14.365 6.627 1.808 1.00 0.00 H new ATOM 0 HA ALA A 93 14.293 6.556 -1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.954 7.202 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.081 5.557 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.624 6.911 0.358 1.00 0.00 H new ATOM 1317 N GLY A 94 14.055 9.102 -0.986 1.00 0.00 N ATOM 1318 CA GLY A 94 14.330 10.525 -0.885 1.00 0.00 C ATOM 1319 C GLY A 94 13.052 11.346 -1.065 1.00 0.00 C ATOM 1320 O GLY A 94 11.948 10.808 -0.981 1.00 0.00 O ATOM 0 H GLY A 94 13.903 8.763 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.774 10.745 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.060 10.812 -1.642 1.00 0.00 H new ATOM 1324 N THR A 95 13.243 12.634 -1.308 1.00 0.00 N ATOM 1325 CA THR A 95 12.118 13.534 -1.500 1.00 0.00 C ATOM 1326 C THR A 95 11.022 12.851 -2.320 1.00 0.00 C ATOM 1327 O THR A 95 9.989 12.460 -1.778 1.00 0.00 O ATOM 1328 CB THR A 95 12.645 14.819 -2.141 1.00 0.00 C ATOM 1329 OG1 THR A 95 11.523 15.339 -2.849 1.00 0.00 O ATOM 1330 CG2 THR A 95 13.681 14.546 -3.234 1.00 0.00 C ATOM 0 H THR A 95 14.160 13.076 -1.376 1.00 0.00 H new ATOM 0 HA THR A 95 11.653 13.795 -0.549 1.00 0.00 H new ATOM 0 HB THR A 95 13.087 15.453 -1.372 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.776 16.175 -3.294 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.022 15.491 -3.656 1.00 0.00 H new ATOM 0 HG22 THR A 95 14.529 14.012 -2.806 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.230 13.940 -4.020 1.00 0.00 H new ATOM 1338 N ALA A 96 11.285 12.727 -3.613 1.00 0.00 N ATOM 1339 CA ALA A 96 10.334 12.098 -4.513 1.00 0.00 C ATOM 1340 C ALA A 96 10.425 10.578 -4.363 1.00 0.00 C ATOM 1341 O ALA A 96 11.394 9.964 -4.808 1.00 0.00 O ATOM 1342 CB ALA A 96 10.604 12.560 -5.946 1.00 0.00 C ATOM 0 H ALA A 96 12.143 13.052 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 96 9.315 12.394 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.890 12.088 -6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.498 13.643 -6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.617 12.279 -6.234 1.00 0.00 H new ATOM 1348 N VAL A 97 9.404 10.014 -3.735 1.00 0.00 N ATOM 1349 CA VAL A 97 9.357 8.578 -3.522 1.00 0.00 C ATOM 1350 C VAL A 97 8.445 7.940 -4.572 1.00 0.00 C ATOM 1351 O VAL A 97 7.226 8.100 -4.521 1.00 0.00 O ATOM 1352 CB VAL A 97 8.919 8.276 -2.087 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.617 6.787 -1.907 1.00 0.00 C ATOM 1354 CG2 VAL A 97 9.971 8.748 -1.082 1.00 0.00 C ATOM 0 H VAL A 97 8.602 10.526 -3.367 1.00 0.00 H new ATOM 0 HA VAL A 97 10.348 8.141 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 97 8.000 8.829 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.308 6.600 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.816 6.494 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.512 6.205 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.635 8.521 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 97 10.914 8.236 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.115 9.824 -1.184 1.00 0.00 H new ATOM 1364 N GLN A 98 9.070 7.230 -5.499 1.00 0.00 N ATOM 1365 CA GLN A 98 8.331 6.567 -6.559 1.00 0.00 C ATOM 1366 C GLN A 98 7.786 5.224 -6.068 1.00 0.00 C ATOM 1367 O GLN A 98 8.544 4.378 -5.595 1.00 0.00 O ATOM 1368 CB GLN A 98 9.202 6.383 -7.803 1.00 0.00 C ATOM 1369 CG GLN A 98 8.360 6.460 -9.079 1.00 0.00 C ATOM 1370 CD GLN A 98 9.124 5.890 -10.275 1.00 0.00 C ATOM 1371 OE1 GLN A 98 9.241 4.689 -10.456 1.00 0.00 O ATOM 1372 NE2 GLN A 98 9.637 6.816 -11.081 1.00 0.00 N ATOM 0 H GLN A 98 10.081 7.099 -5.538 1.00 0.00 H new ATOM 0 HA GLN A 98 7.488 7.199 -6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.975 7.151 -7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.710 5.420 -7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.431 5.907 -8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.088 7.497 -9.277 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.502 7.805 -10.872 1.00 0.00 H new ATOM 0 HE22 GLN A 98 10.165 6.537 -11.908 1.00 0.00 H new ATOM 1381 N MET A 99 6.477 5.070 -6.195 1.00 0.00 N ATOM 1382 CA MET A 99 5.822 3.844 -5.770 1.00 0.00 C ATOM 1383 C MET A 99 4.961 3.264 -6.893 1.00 0.00 C ATOM 1384 O MET A 99 4.003 3.896 -7.335 1.00 0.00 O ATOM 1385 CB MET A 99 4.945 4.131 -4.550 1.00 0.00 C ATOM 1386 CG MET A 99 5.800 4.426 -3.316 1.00 0.00 C ATOM 1387 SD MET A 99 5.064 3.682 -1.870 1.00 0.00 S ATOM 1388 CE MET A 99 3.819 4.904 -1.493 1.00 0.00 C ATOM 0 H MET A 99 5.851 5.774 -6.586 1.00 0.00 H new ATOM 0 HA MET A 99 6.590 3.114 -5.513 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.294 4.981 -4.757 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.299 3.275 -4.353 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.808 4.038 -3.461 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.890 5.503 -3.175 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.118 5.467 -0.609 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.710 5.585 -2.337 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.868 4.407 -1.303 1.00 0.00 H new ATOM 1398 N ARG A 100 5.333 2.067 -7.323 1.00 0.00 N ATOM 1399 CA ARG A 100 4.606 1.395 -8.386 1.00 0.00 C ATOM 1400 C ARG A 100 3.497 0.519 -7.800 1.00 0.00 C ATOM 1401 O ARG A 100 3.768 -0.547 -7.250 1.00 0.00 O ATOM 1402 CB ARG A 100 5.542 0.524 -9.228 1.00 0.00 C ATOM 1403 CG ARG A 100 4.820 -0.025 -10.460 1.00 0.00 C ATOM 1404 CD ARG A 100 5.694 -1.037 -11.202 1.00 0.00 C ATOM 1405 NE ARG A 100 5.588 -0.823 -12.662 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.409 -1.378 -13.565 1.00 0.00 C ATOM 1407 NH1 ARG A 100 7.401 -2.184 -13.162 1.00 0.00 N ATOM 1408 NH2 ARG A 100 6.238 -1.127 -14.870 1.00 0.00 N ATOM 0 H ARG A 100 6.128 1.546 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 100 4.169 2.162 -9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.407 1.110 -9.540 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.917 -0.302 -8.624 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.886 -0.499 -10.158 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.560 0.795 -11.129 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.732 -0.934 -10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.383 -2.051 -10.951 1.00 0.00 H new ATOM 0 HE ARG A 100 4.843 -0.215 -13.003 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.531 -2.375 -12.169 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.026 -2.606 -13.849 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.483 -0.514 -15.177 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.863 -1.549 -15.557 1.00 0.00 H new ATOM 1422 N VAL A 101 2.271 1.002 -7.937 1.00 0.00 N ATOM 1423 CA VAL A 101 1.119 0.277 -7.428 1.00 0.00 C ATOM 1424 C VAL A 101 0.418 -0.436 -8.586 1.00 0.00 C ATOM 1425 O VAL A 101 0.617 -0.085 -9.748 1.00 0.00 O ATOM 1426 CB VAL A 101 0.196 1.230 -6.666 1.00 0.00 C ATOM 1427 CG1 VAL A 101 0.925 1.871 -5.484 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.381 2.297 -7.599 1.00 0.00 C ATOM 0 H VAL A 101 2.050 1.887 -8.393 1.00 0.00 H new ATOM 0 HA VAL A 101 1.432 -0.488 -6.718 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.635 0.647 -6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.246 2.544 -4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.265 1.093 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.784 2.434 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.034 2.961 -7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.432 2.875 -8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.953 1.816 -8.392 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.388 -1.425 -8.228 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.120 -2.191 -9.223 1.00 0.00 C ATOM 1440 C TRP A 102 -2.614 -1.949 -9.001 1.00 0.00 C ATOM 1441 O TRP A 102 -3.122 -2.150 -7.899 1.00 0.00 O ATOM 1442 CB TRP A 102 -0.738 -3.671 -9.165 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.113 -4.460 -10.421 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -0.787 -4.190 -11.693 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -1.902 -5.667 -10.475 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.307 -5.131 -12.558 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.006 -6.058 -11.794 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -2.509 -6.404 -9.442 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -2.710 -7.197 -12.203 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.208 -7.540 -9.868 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -3.322 -7.947 -11.192 1.00 0.00 C ATOM 0 H TRP A 102 -0.550 -1.714 -7.263 1.00 0.00 H new ATOM 0 HA TRP A 102 -0.861 -1.863 -10.230 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.337 -3.752 -9.005 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.224 -4.128 -8.303 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.192 -3.343 -12.002 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.198 -5.144 -13.572 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.441 -6.117 -8.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -2.777 -7.482 -13.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -3.693 -8.143 -9.114 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.880 -8.838 -11.440 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.277 -1.521 -10.065 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.703 -1.250 -10.000 1.00 0.00 C ATOM 1464 C ARG A 103 -5.325 -1.346 -11.395 1.00 0.00 C ATOM 1465 O ARG A 103 -4.626 -1.228 -12.400 1.00 0.00 O ATOM 1466 CB ARG A 103 -4.973 0.140 -9.423 1.00 0.00 C ATOM 1467 CG ARG A 103 -6.021 0.077 -8.309 1.00 0.00 C ATOM 1468 CD ARG A 103 -5.669 1.037 -7.170 1.00 0.00 C ATOM 1469 NE ARG A 103 -6.836 1.888 -6.847 1.00 0.00 N ATOM 1470 CZ ARG A 103 -7.992 1.423 -6.355 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -8.143 0.111 -6.126 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -8.997 2.269 -6.092 1.00 0.00 N ATOM 0 H ARG A 103 -2.853 -1.355 -10.978 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.154 -1.996 -9.345 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.047 0.562 -9.033 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.318 0.806 -10.214 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.002 0.330 -8.713 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.087 -0.941 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.365 0.473 -6.288 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.822 1.660 -7.457 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.755 2.892 -7.009 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.378 -0.533 -6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.023 -0.243 -5.751 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.882 3.267 -6.266 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.877 1.915 -5.717 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.633 -1.559 -11.410 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.358 -1.671 -12.665 1.00 0.00 C ATOM 1488 C GLU A 104 -7.869 -0.299 -13.107 1.00 0.00 C ATOM 1489 O GLU A 104 -8.336 0.488 -12.285 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.508 -2.673 -12.545 1.00 0.00 C ATOM 1491 CG GLU A 104 -8.960 -3.156 -13.925 1.00 0.00 C ATOM 1492 CD GLU A 104 -10.379 -2.675 -14.236 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -11.288 -3.054 -13.467 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -10.522 -1.939 -15.237 1.00 0.00 O ATOM 0 H GLU A 104 -7.209 -1.657 -10.574 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.673 -2.044 -13.427 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.192 -3.525 -11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.346 -2.209 -12.025 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.272 -2.788 -14.686 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.925 -4.245 -13.963 1.00 0.00 H new