USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 541 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 18 GLN :FLIP amide:sc= 0.351 F(o=-1.9,f=0.79) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -151:sc= 0.435 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.928 USER MOD Single : A 20 SER OG : rot -25:sc= 0.465! USER MOD Single : A 23 GLN : amide:sc= -0.93 K(o=-0.93,f=-2.4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -16:sc= -0.448 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 58:sc= 0.036 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -70:sc= -0.482! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 50 CYS SG : rot 15:sc= -0.683 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.548 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N THR A 13 10.728 19.168 3.898 1.00 0.00 N ATOM 148 CA THR A 13 11.197 18.303 4.973 1.00 0.00 C ATOM 149 C THR A 13 10.664 16.884 4.810 1.00 0.00 C ATOM 150 O THR A 13 9.517 16.667 4.418 1.00 0.00 O ATOM 151 CB THR A 13 10.773 18.843 6.352 1.00 0.00 C ATOM 152 OG1 THR A 13 11.691 18.394 7.356 1.00 0.00 O ATOM 153 CG2 THR A 13 9.366 18.384 6.704 1.00 0.00 C ATOM 0 HA THR A 13 12.285 18.288 4.915 1.00 0.00 H new ATOM 0 HB THR A 13 10.783 19.932 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.416 18.742 8.230 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.089 18.778 7.682 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.665 18.750 5.954 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.334 17.295 6.729 1.00 0.00 H new ATOM 161 N PRO A 14 11.513 15.894 5.117 1.00 0.00 N ATOM 162 CA PRO A 14 11.149 14.477 5.013 1.00 0.00 C ATOM 163 C PRO A 14 10.130 14.062 6.068 1.00 0.00 C ATOM 164 O PRO A 14 9.899 14.782 7.040 1.00 0.00 O ATOM 165 CB PRO A 14 12.478 13.752 5.239 1.00 0.00 C ATOM 166 CG PRO A 14 13.297 14.702 6.042 1.00 0.00 C ATOM 167 CD PRO A 14 12.896 16.079 5.590 1.00 0.00 C ATOM 0 HA PRO A 14 10.679 14.246 4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.330 12.811 5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.964 13.512 4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.112 14.572 7.108 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.362 14.533 5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.949 16.801 6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.546 16.447 4.796 1.00 0.00 H new ATOM 175 N VAL A 15 9.523 12.896 5.872 1.00 0.00 N ATOM 176 CA VAL A 15 8.529 12.384 6.807 1.00 0.00 C ATOM 177 C VAL A 15 8.585 10.863 6.891 1.00 0.00 C ATOM 178 O VAL A 15 9.019 10.194 5.953 1.00 0.00 O ATOM 179 CB VAL A 15 7.105 12.811 6.403 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.180 12.799 7.611 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.127 14.187 5.753 1.00 0.00 C ATOM 0 H VAL A 15 9.703 12.288 5.073 1.00 0.00 H new ATOM 0 HA VAL A 15 8.765 12.809 7.783 1.00 0.00 H new ATOM 0 HB VAL A 15 6.722 12.095 5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.179 13.103 7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.142 11.793 8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.556 13.492 8.364 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.113 14.474 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.529 14.916 6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.755 14.159 4.862 1.00 0.00 H new ATOM 191 N PHE A 16 8.144 10.321 8.023 1.00 0.00 N ATOM 192 CA PHE A 16 8.145 8.879 8.230 1.00 0.00 C ATOM 193 C PHE A 16 6.821 8.415 8.831 1.00 0.00 C ATOM 194 O PHE A 16 6.357 8.960 9.832 1.00 0.00 O ATOM 195 CB PHE A 16 9.303 8.474 9.146 1.00 0.00 C ATOM 196 CG PHE A 16 9.812 7.085 8.891 1.00 0.00 C ATOM 197 CD1 PHE A 16 10.759 6.851 7.907 1.00 0.00 C ATOM 198 CD2 PHE A 16 9.344 6.014 9.634 1.00 0.00 C ATOM 199 CE1 PHE A 16 11.231 5.573 7.669 1.00 0.00 C ATOM 200 CE2 PHE A 16 9.812 4.735 9.401 1.00 0.00 C ATOM 201 CZ PHE A 16 10.755 4.514 8.416 1.00 0.00 C ATOM 0 H PHE A 16 7.782 10.860 8.810 1.00 0.00 H new ATOM 0 HA PHE A 16 8.273 8.398 7.260 1.00 0.00 H new ATOM 0 HB2 PHE A 16 10.122 9.182 9.017 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.978 8.548 10.184 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.133 7.676 7.319 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.605 6.180 10.404 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.970 5.404 6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.441 3.908 9.989 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.119 3.514 8.231 1.00 0.00 H new ATOM 211 N GLU A 17 6.219 7.405 8.212 1.00 0.00 N ATOM 212 CA GLU A 17 4.947 6.870 8.685 1.00 0.00 C ATOM 213 C GLU A 17 4.909 5.351 8.536 1.00 0.00 C ATOM 214 O GLU A 17 5.587 4.784 7.681 1.00 0.00 O ATOM 215 CB GLU A 17 3.785 7.498 7.913 1.00 0.00 C ATOM 216 CG GLU A 17 2.567 7.786 8.775 1.00 0.00 C ATOM 217 CD GLU A 17 2.297 9.270 8.927 1.00 0.00 C ATOM 218 OE1 GLU A 17 2.122 9.950 7.894 1.00 0.00 O ATOM 219 OE2 GLU A 17 2.259 9.752 10.079 1.00 0.00 O ATOM 0 H GLU A 17 6.590 6.941 7.383 1.00 0.00 H new ATOM 0 HA GLU A 17 4.847 7.118 9.742 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.124 8.427 7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.496 6.830 7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.693 7.305 8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.712 7.344 9.761 1.00 0.00 H new ATOM 226 N GLN A 18 4.109 4.700 9.376 1.00 0.00 N ATOM 227 CA GLN A 18 3.983 3.249 9.339 1.00 0.00 C ATOM 228 C GLN A 18 2.540 2.835 9.068 1.00 0.00 C ATOM 229 O GLN A 18 1.602 3.432 9.598 1.00 0.00 O ATOM 230 CB GLN A 18 4.461 2.640 10.659 1.00 0.00 C ATOM 231 CG GLN A 18 5.874 2.082 10.594 1.00 0.00 C ATOM 232 CD GLN A 18 6.082 0.911 11.533 1.00 0.00 C ATOM 233 OE1 GLN A 18 6.771 -0.118 11.053 1.00 0.00 O flip ATOM 234 NE2 GLN A 18 5.629 0.929 12.678 1.00 0.00 N flip ATOM 0 H GLN A 18 3.539 5.155 10.089 1.00 0.00 H new ATOM 0 HA GLN A 18 4.608 2.876 8.528 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.415 3.401 11.438 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.777 1.843 10.951 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.090 1.767 9.573 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.584 2.871 10.841 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.105 1.740 13.007 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.778 0.133 13.298 1.00 0.00 H new ATOM 243 N LEU A 19 2.370 1.808 8.242 1.00 0.00 N ATOM 244 CA LEU A 19 1.040 1.315 7.899 1.00 0.00 C ATOM 245 C LEU A 19 0.988 -0.208 7.982 1.00 0.00 C ATOM 246 O LEU A 19 1.709 -0.903 7.265 1.00 0.00 O ATOM 247 CB LEU A 19 0.649 1.774 6.495 1.00 0.00 C ATOM 248 CG LEU A 19 -0.492 2.789 6.414 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.106 4.082 7.117 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.864 3.060 4.963 1.00 0.00 C ATOM 0 H LEU A 19 3.135 1.301 7.798 1.00 0.00 H new ATOM 0 HA LEU A 19 0.331 1.726 8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.528 2.207 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.370 0.896 5.912 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.362 2.370 6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.930 4.793 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.110 3.876 8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.778 4.505 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.678 3.784 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.002 3.458 4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.183 2.131 4.490 1.00 0.00 H new ATOM 262 N SER A 20 0.129 -0.719 8.857 1.00 0.00 N ATOM 263 CA SER A 20 -0.017 -2.160 9.034 1.00 0.00 C ATOM 264 C SER A 20 -1.052 -2.724 8.065 1.00 0.00 C ATOM 265 O SER A 20 -2.220 -2.336 8.090 1.00 0.00 O ATOM 266 CB SER A 20 -0.422 -2.480 10.474 1.00 0.00 C ATOM 267 OG SER A 20 -1.811 -2.745 10.566 1.00 0.00 O ATOM 0 H SER A 20 -0.477 -0.157 9.455 1.00 0.00 H new ATOM 0 HA SER A 20 0.945 -2.627 8.823 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.140 -3.343 10.830 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.165 -1.642 11.122 1.00 0.00 H new ATOM 0 HG SER A 20 -2.279 -2.295 9.832 1.00 0.00 H new ATOM 273 N VAL A 21 -0.614 -3.643 7.211 1.00 0.00 N ATOM 274 CA VAL A 21 -1.500 -4.263 6.233 1.00 0.00 C ATOM 275 C VAL A 21 -1.566 -5.773 6.432 1.00 0.00 C ATOM 276 O VAL A 21 -0.622 -6.403 6.907 1.00 0.00 O ATOM 277 CB VAL A 21 -1.044 -3.964 4.793 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.686 -2.494 4.640 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.132 -4.850 4.413 1.00 0.00 C ATOM 0 H VAL A 21 0.350 -3.975 7.177 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.491 -3.836 6.387 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.869 -4.184 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.366 -2.302 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.558 -1.881 4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.123 -2.243 5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.442 -4.626 3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.963 -4.664 5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.164 -5.897 4.480 1.00 0.00 H new ATOM 289 N PRO A 22 -2.708 -6.369 6.057 1.00 0.00 N ATOM 290 CA PRO A 22 -2.925 -7.813 6.182 1.00 0.00 C ATOM 291 C PRO A 22 -2.072 -8.615 5.206 1.00 0.00 C ATOM 292 O PRO A 22 -1.771 -8.151 4.106 1.00 0.00 O ATOM 293 CB PRO A 22 -4.411 -7.978 5.855 1.00 0.00 C ATOM 294 CG PRO A 22 -4.742 -6.808 4.996 1.00 0.00 C ATOM 295 CD PRO A 22 -3.875 -5.679 5.482 1.00 0.00 C ATOM 0 HA PRO A 22 -2.648 -8.182 7.169 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.600 -8.917 5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.017 -7.988 6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.546 -7.027 3.946 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.798 -6.551 5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.588 -5.014 4.668 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.388 -5.069 6.226 1.00 0.00 H new ATOM 303 N GLN A 23 -1.687 -9.819 5.615 1.00 0.00 N ATOM 304 CA GLN A 23 -0.867 -10.684 4.774 1.00 0.00 C ATOM 305 C GLN A 23 -1.686 -11.257 3.622 1.00 0.00 C ATOM 306 O GLN A 23 -1.144 -11.899 2.722 1.00 0.00 O ATOM 307 CB GLN A 23 -0.269 -11.821 5.605 1.00 0.00 C ATOM 308 CG GLN A 23 -1.165 -13.046 5.693 1.00 0.00 C ATOM 309 CD GLN A 23 -0.798 -13.955 6.850 1.00 0.00 C ATOM 310 OE1 GLN A 23 -1.586 -14.148 7.777 1.00 0.00 O ATOM 311 NE2 GLN A 23 0.402 -14.520 6.802 1.00 0.00 N ATOM 0 H GLN A 23 -1.929 -10.218 6.522 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.058 -10.083 4.358 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.688 -12.112 5.172 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.066 -11.456 6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.201 -12.726 5.801 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.100 -13.607 4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.023 -14.332 6.015 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.703 -15.142 7.552 1.00 0.00 H new ATOM 320 N ARG A 24 -2.993 -11.021 3.657 1.00 0.00 N ATOM 321 CA ARG A 24 -3.887 -11.516 2.616 1.00 0.00 C ATOM 322 C ARG A 24 -3.925 -10.555 1.431 1.00 0.00 C ATOM 323 O ARG A 24 -4.282 -10.941 0.318 1.00 0.00 O ATOM 324 CB ARG A 24 -5.297 -11.710 3.176 1.00 0.00 C ATOM 325 CG ARG A 24 -6.123 -10.435 3.199 1.00 0.00 C ATOM 326 CD ARG A 24 -7.018 -10.373 4.428 1.00 0.00 C ATOM 327 NE ARG A 24 -8.388 -10.778 4.128 1.00 0.00 N ATOM 328 CZ ARG A 24 -9.359 -10.810 5.035 1.00 0.00 C ATOM 329 NH1 ARG A 24 -9.111 -10.463 6.290 1.00 0.00 N ATOM 330 NH2 ARG A 24 -10.582 -11.190 4.685 1.00 0.00 N ATOM 0 H ARG A 24 -3.457 -10.490 4.394 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.506 -12.477 2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.817 -12.459 2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.225 -12.105 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.460 -9.570 3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.735 -10.380 2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.611 -11.019 5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.019 -9.358 4.825 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.612 -11.051 3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.173 -10.170 6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.859 -10.489 6.983 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.776 -11.457 3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.327 -11.215 5.381 1.00 0.00 H new ATOM 344 N SER A 25 -3.556 -9.303 1.680 1.00 0.00 N ATOM 345 CA SER A 25 -3.553 -8.285 0.635 1.00 0.00 C ATOM 346 C SER A 25 -2.142 -7.753 0.399 1.00 0.00 C ATOM 347 O SER A 25 -1.907 -6.969 -0.521 1.00 0.00 O ATOM 348 CB SER A 25 -4.489 -7.135 1.011 1.00 0.00 C ATOM 349 OG SER A 25 -5.773 -7.617 1.366 1.00 0.00 O ATOM 0 H SER A 25 -3.255 -8.969 2.596 1.00 0.00 H new ATOM 0 HA SER A 25 -3.908 -8.745 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.065 -6.574 1.844 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.576 -6.444 0.173 1.00 0.00 H new ATOM 0 HG SER A 25 -6.351 -6.862 1.604 1.00 0.00 H new ATOM 355 N VAL A 26 -1.206 -8.184 1.239 1.00 0.00 N ATOM 356 CA VAL A 26 0.182 -7.752 1.124 1.00 0.00 C ATOM 357 C VAL A 26 0.782 -8.183 -0.210 1.00 0.00 C ATOM 358 O VAL A 26 1.728 -7.571 -0.703 1.00 0.00 O ATOM 359 CB VAL A 26 1.043 -8.319 2.269 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.420 -9.765 1.988 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.285 -7.465 2.473 1.00 0.00 C ATOM 0 H VAL A 26 -1.384 -8.832 2.006 1.00 0.00 H new ATOM 0 HA VAL A 26 0.181 -6.664 1.185 1.00 0.00 H new ATOM 0 HB VAL A 26 0.458 -8.294 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.028 -10.148 2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.515 -10.366 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.988 -9.819 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.882 -7.879 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.875 -7.456 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.989 -6.446 2.723 1.00 0.00 H new ATOM 371 N GLY A 27 0.223 -9.241 -0.789 1.00 0.00 N ATOM 372 CA GLY A 27 0.716 -9.737 -2.062 1.00 0.00 C ATOM 373 C GLY A 27 0.286 -8.869 -3.227 1.00 0.00 C ATOM 374 O GLY A 27 0.919 -8.877 -4.283 1.00 0.00 O ATOM 0 H GLY A 27 -0.562 -9.764 -0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.804 -9.787 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.354 -10.754 -2.217 1.00 0.00 H new ATOM 378 N ARG A 28 -0.795 -8.120 -3.038 1.00 0.00 N ATOM 379 CA ARG A 28 -1.311 -7.245 -4.084 1.00 0.00 C ATOM 380 C ARG A 28 -0.694 -5.853 -3.982 1.00 0.00 C ATOM 381 O ARG A 28 -0.622 -5.123 -4.971 1.00 0.00 O ATOM 382 CB ARG A 28 -2.835 -7.147 -3.990 1.00 0.00 C ATOM 383 CG ARG A 28 -3.475 -6.455 -5.182 1.00 0.00 C ATOM 384 CD ARG A 28 -4.011 -7.462 -6.188 1.00 0.00 C ATOM 385 NE ARG A 28 -2.992 -7.869 -7.152 1.00 0.00 N ATOM 386 CZ ARG A 28 -3.071 -8.976 -7.883 1.00 0.00 C ATOM 387 NH1 ARG A 28 -4.118 -9.780 -7.762 1.00 0.00 N ATOM 388 NH2 ARG A 28 -2.103 -9.278 -8.738 1.00 0.00 N ATOM 0 H ARG A 28 -1.331 -8.101 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.040 -7.674 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.250 -8.151 -3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.101 -6.607 -3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.287 -5.814 -4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.742 -5.810 -5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.381 -8.340 -5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.859 -7.028 -6.718 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.175 -7.271 -7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.865 -9.549 -7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.177 -10.629 -8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.297 -8.660 -8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.165 -10.128 -9.299 1.00 0.00 H new ATOM 402 N ILE A 29 -0.251 -5.494 -2.782 1.00 0.00 N ATOM 403 CA ILE A 29 0.361 -4.192 -2.552 1.00 0.00 C ATOM 404 C ILE A 29 1.843 -4.209 -2.910 1.00 0.00 C ATOM 405 O ILE A 29 2.332 -3.324 -3.613 1.00 0.00 O ATOM 406 CB ILE A 29 0.204 -3.747 -1.086 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.268 -3.796 -0.670 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.768 -2.346 -0.894 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.470 -4.053 0.806 1.00 0.00 C ATOM 0 H ILE A 29 -0.305 -6.087 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.158 -3.482 -3.197 1.00 0.00 H new ATOM 0 HB ILE A 29 0.765 -4.433 -0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.744 -2.852 -0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.772 -4.577 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.650 -2.046 0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.826 -2.341 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.232 -1.647 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.537 -4.075 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.024 -5.011 1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.995 -3.259 1.382 1.00 0.00 H new ATOM 421 N ILE A 30 2.551 -5.223 -2.425 1.00 0.00 N ATOM 422 CA ILE A 30 3.977 -5.357 -2.697 1.00 0.00 C ATOM 423 C ILE A 30 4.220 -5.960 -4.076 1.00 0.00 C ATOM 424 O ILE A 30 5.235 -5.686 -4.715 1.00 0.00 O ATOM 425 CB ILE A 30 4.672 -6.232 -1.637 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.839 -5.453 -0.331 1.00 0.00 C ATOM 427 CG2 ILE A 30 6.021 -6.713 -2.149 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.155 -4.716 -0.231 1.00 0.00 C ATOM 0 H ILE A 30 2.161 -5.964 -1.842 1.00 0.00 H new ATOM 0 HA ILE A 30 4.400 -4.353 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 30 4.048 -7.104 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.023 -4.737 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.754 -6.144 0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.500 -7.330 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.878 -7.301 -3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.654 -5.853 -2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.204 -4.186 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.977 -5.429 -0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.234 -4.000 -1.049 1.00 0.00 H new ATOM 440 N GLY A 31 3.277 -6.780 -4.532 1.00 0.00 N ATOM 441 CA GLY A 31 3.407 -7.407 -5.834 1.00 0.00 C ATOM 442 C GLY A 31 3.921 -8.831 -5.744 1.00 0.00 C ATOM 443 O GLY A 31 3.781 -9.483 -4.709 1.00 0.00 O ATOM 0 H GLY A 31 2.426 -7.021 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.438 -7.405 -6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.085 -6.818 -6.451 1.00 0.00 H new ATOM 447 N ARG A 32 4.516 -9.312 -6.829 1.00 0.00 N ATOM 448 CA ARG A 32 5.050 -10.669 -6.869 1.00 0.00 C ATOM 449 C ARG A 32 6.537 -10.678 -6.525 1.00 0.00 C ATOM 450 O ARG A 32 7.323 -11.393 -7.144 1.00 0.00 O ATOM 451 CB ARG A 32 4.832 -11.286 -8.251 1.00 0.00 C ATOM 452 CG ARG A 32 5.778 -10.749 -9.314 1.00 0.00 C ATOM 453 CD ARG A 32 6.839 -11.774 -9.684 1.00 0.00 C ATOM 454 NE ARG A 32 6.645 -12.297 -11.034 1.00 0.00 N ATOM 455 CZ ARG A 32 7.425 -13.223 -11.582 1.00 0.00 C ATOM 456 NH1 ARG A 32 8.445 -13.725 -10.899 1.00 0.00 N ATOM 457 NH2 ARG A 32 7.185 -13.649 -12.815 1.00 0.00 N ATOM 0 H ARG A 32 4.641 -8.784 -7.692 1.00 0.00 H new ATOM 0 HA ARG A 32 4.518 -11.263 -6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.954 -12.367 -8.180 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.804 -11.101 -8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.210 -10.474 -10.203 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.259 -9.841 -8.950 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.826 -11.317 -9.610 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.814 -12.596 -8.969 1.00 0.00 H new ATOM 0 HE ARG A 32 5.869 -11.932 -11.586 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.633 -13.400 -9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.042 -14.436 -11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.401 -13.266 -13.343 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.784 -14.360 -13.235 1.00 0.00 H new ATOM 471 N GLY A 33 6.914 -9.878 -5.532 1.00 0.00 N ATOM 472 CA GLY A 33 8.304 -9.809 -5.123 1.00 0.00 C ATOM 473 C GLY A 33 8.794 -8.383 -4.973 1.00 0.00 C ATOM 474 O GLY A 33 9.949 -8.149 -4.620 1.00 0.00 O ATOM 0 H GLY A 33 6.281 -9.277 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.427 -10.334 -4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.922 -10.327 -5.857 1.00 0.00 H new ATOM 478 N GLY A 34 7.913 -7.424 -5.245 1.00 0.00 N ATOM 479 CA GLY A 34 8.281 -6.025 -5.134 1.00 0.00 C ATOM 480 C GLY A 34 7.970 -5.242 -6.394 1.00 0.00 C ATOM 481 O GLY A 34 7.808 -4.024 -6.351 1.00 0.00 O ATOM 0 H GLY A 34 6.951 -7.592 -5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.751 -5.579 -4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.346 -5.949 -4.916 1.00 0.00 H new ATOM 485 N GLU A 35 7.890 -5.944 -7.520 1.00 0.00 N ATOM 486 CA GLU A 35 7.599 -5.306 -8.798 1.00 0.00 C ATOM 487 C GLU A 35 6.502 -4.256 -8.645 1.00 0.00 C ATOM 488 O GLU A 35 6.420 -3.307 -9.426 1.00 0.00 O ATOM 489 CB GLU A 35 7.178 -6.352 -9.832 1.00 0.00 C ATOM 490 CG GLU A 35 5.694 -6.678 -9.799 1.00 0.00 C ATOM 491 CD GLU A 35 4.932 -6.047 -10.948 1.00 0.00 C ATOM 492 OE1 GLU A 35 4.946 -6.622 -12.056 1.00 0.00 O ATOM 493 OE2 GLU A 35 4.321 -4.978 -10.738 1.00 0.00 O ATOM 0 H GLU A 35 8.023 -6.954 -7.573 1.00 0.00 H new ATOM 0 HA GLU A 35 8.507 -4.811 -9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.440 -5.993 -10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.746 -7.267 -9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.563 -7.760 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.271 -6.334 -8.855 1.00 0.00 H new ATOM 500 N THR A 36 5.659 -4.433 -7.633 1.00 0.00 N ATOM 501 CA THR A 36 4.566 -3.503 -7.376 1.00 0.00 C ATOM 502 C THR A 36 4.966 -2.456 -6.343 1.00 0.00 C ATOM 503 O THR A 36 4.626 -1.279 -6.476 1.00 0.00 O ATOM 504 CB THR A 36 3.306 -4.240 -6.883 1.00 0.00 C ATOM 505 OG1 THR A 36 2.939 -5.260 -7.817 1.00 0.00 O ATOM 506 CG2 THR A 36 2.148 -3.269 -6.703 1.00 0.00 C ATOM 0 H THR A 36 5.712 -5.212 -6.977 1.00 0.00 H new ATOM 0 HA THR A 36 4.342 -3.009 -8.321 1.00 0.00 H new ATOM 0 HB THR A 36 3.531 -4.695 -5.919 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.395 -5.102 -8.670 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.269 -3.811 -6.354 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.420 -2.510 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.924 -2.789 -7.656 1.00 0.00 H new ATOM 514 N ILE A 37 5.689 -2.890 -5.316 1.00 0.00 N ATOM 515 CA ILE A 37 6.135 -1.987 -4.262 1.00 0.00 C ATOM 516 C ILE A 37 7.153 -0.984 -4.793 1.00 0.00 C ATOM 517 O ILE A 37 7.314 0.104 -4.239 1.00 0.00 O ATOM 518 CB ILE A 37 6.759 -2.762 -3.087 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.564 -1.992 -1.779 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.238 -3.014 -3.344 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.111 -1.739 -1.438 1.00 0.00 C ATOM 0 H ILE A 37 5.978 -3.860 -5.191 1.00 0.00 H new ATOM 0 HA ILE A 37 5.253 -1.453 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 37 6.256 -3.725 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.028 -2.550 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.084 -1.037 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.665 -3.563 -2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.354 -3.599 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.755 -2.061 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.048 -1.189 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.647 -1.154 -2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.590 -2.691 -1.337 1.00 0.00 H new ATOM 533 N ARG A 38 7.837 -1.356 -5.871 1.00 0.00 N ATOM 534 CA ARG A 38 8.839 -0.487 -6.477 1.00 0.00 C ATOM 535 C ARG A 38 8.180 0.576 -7.350 1.00 0.00 C ATOM 536 O ARG A 38 8.631 1.721 -7.399 1.00 0.00 O ATOM 537 CB ARG A 38 9.820 -1.311 -7.312 1.00 0.00 C ATOM 538 CG ARG A 38 10.487 -2.434 -6.536 1.00 0.00 C ATOM 539 CD ARG A 38 11.877 -2.735 -7.075 1.00 0.00 C ATOM 540 NE ARG A 38 12.811 -3.096 -6.012 1.00 0.00 N ATOM 541 CZ ARG A 38 14.105 -3.315 -6.213 1.00 0.00 C ATOM 542 NH1 ARG A 38 14.617 -3.210 -7.431 1.00 0.00 N ATOM 543 NH2 ARG A 38 14.891 -3.640 -5.194 1.00 0.00 N ATOM 0 H ARG A 38 7.715 -2.253 -6.342 1.00 0.00 H new ATOM 0 HA ARG A 38 9.384 0.012 -5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.291 -1.735 -8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.589 -0.650 -7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.555 -2.160 -5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.872 -3.332 -6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.817 -3.550 -7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.255 -1.863 -7.609 1.00 0.00 H new ATOM 0 HE ARG A 38 12.449 -3.185 -5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.017 -2.960 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.611 -3.379 -7.582 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.501 -3.722 -4.255 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.885 -3.808 -5.350 1.00 0.00 H new ATOM 557 N SER A 39 7.109 0.191 -8.038 1.00 0.00 N ATOM 558 CA SER A 39 6.391 1.110 -8.913 1.00 0.00 C ATOM 559 C SER A 39 5.728 2.222 -8.105 1.00 0.00 C ATOM 560 O SER A 39 5.654 3.368 -8.551 1.00 0.00 O ATOM 561 CB SER A 39 5.336 0.356 -9.724 1.00 0.00 C ATOM 562 OG SER A 39 5.754 0.182 -11.067 1.00 0.00 O ATOM 0 H SER A 39 6.720 -0.751 -8.006 1.00 0.00 H new ATOM 0 HA SER A 39 7.111 1.560 -9.596 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.149 -0.617 -9.269 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.394 0.905 -9.701 1.00 0.00 H new ATOM 0 HG SER A 39 5.063 -0.304 -11.564 1.00 0.00 H new ATOM 568 N ILE A 40 5.248 1.876 -6.916 1.00 0.00 N ATOM 569 CA ILE A 40 4.592 2.844 -6.046 1.00 0.00 C ATOM 570 C ILE A 40 5.577 3.903 -5.562 1.00 0.00 C ATOM 571 O ILE A 40 5.280 5.098 -5.587 1.00 0.00 O ATOM 572 CB ILE A 40 3.951 2.159 -4.824 1.00 0.00 C ATOM 573 CG1 ILE A 40 2.987 1.060 -5.275 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.230 3.183 -3.961 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.678 0.047 -4.196 1.00 0.00 C ATOM 0 H ILE A 40 5.301 0.932 -6.533 1.00 0.00 H new ATOM 0 HA ILE A 40 3.810 3.321 -6.637 1.00 0.00 H new ATOM 0 HB ILE A 40 4.740 1.701 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.056 1.519 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.414 0.544 -6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.782 2.684 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.941 3.933 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.449 3.667 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.989 -0.702 -4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.600 -0.439 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.222 0.551 -3.344 1.00 0.00 H new ATOM 587 N CYS A 41 6.749 3.458 -5.124 1.00 0.00 N ATOM 588 CA CYS A 41 7.779 4.368 -4.635 1.00 0.00 C ATOM 589 C CYS A 41 8.101 5.433 -5.678 1.00 0.00 C ATOM 590 O CYS A 41 8.321 6.598 -5.343 1.00 0.00 O ATOM 591 CB CYS A 41 9.045 3.590 -4.274 1.00 0.00 C ATOM 592 SG CYS A 41 10.527 4.618 -4.136 1.00 0.00 S ATOM 0 H CYS A 41 7.010 2.472 -5.097 1.00 0.00 H new ATOM 0 HA CYS A 41 7.399 4.863 -3.742 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.884 3.074 -3.328 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.216 2.824 -5.030 1.00 0.00 H new ATOM 0 HG CYS A 41 10.337 5.534 -3.233 1.00 0.00 H new ATOM 598 N LYS A 42 8.130 5.028 -6.942 1.00 0.00 N ATOM 599 CA LYS A 42 8.426 5.947 -8.035 1.00 0.00 C ATOM 600 C LYS A 42 7.182 6.735 -8.435 1.00 0.00 C ATOM 601 O LYS A 42 7.279 7.860 -8.923 1.00 0.00 O ATOM 602 CB LYS A 42 8.967 5.178 -9.243 1.00 0.00 C ATOM 603 CG LYS A 42 7.901 4.402 -9.996 1.00 0.00 C ATOM 604 CD LYS A 42 8.316 4.140 -11.435 1.00 0.00 C ATOM 605 CE LYS A 42 9.012 2.796 -11.578 1.00 0.00 C ATOM 606 NZ LYS A 42 9.467 2.552 -12.974 1.00 0.00 N ATOM 0 H LYS A 42 7.952 4.068 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 42 9.185 6.650 -7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.444 5.880 -9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.739 4.486 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.715 3.454 -9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.965 4.960 -9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.437 4.166 -12.079 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.982 4.934 -11.773 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.869 2.757 -10.905 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.332 2.001 -11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.936 1.626 -13.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.647 2.563 -13.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.136 3.296 -13.256 1.00 0.00 H new ATOM 620 N ALA A 43 6.015 6.135 -8.225 1.00 0.00 N ATOM 621 CA ALA A 43 4.752 6.782 -8.561 1.00 0.00 C ATOM 622 C ALA A 43 4.434 7.907 -7.581 1.00 0.00 C ATOM 623 O ALA A 43 3.840 8.918 -7.954 1.00 0.00 O ATOM 624 CB ALA A 43 3.626 5.762 -8.581 1.00 0.00 C ATOM 0 H ALA A 43 5.918 5.202 -7.824 1.00 0.00 H new ATOM 0 HA ALA A 43 4.849 7.219 -9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.689 6.259 -8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.842 4.996 -9.326 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.538 5.298 -7.599 1.00 0.00 H new ATOM 630 N SER A 44 4.833 7.722 -6.326 1.00 0.00 N ATOM 631 CA SER A 44 4.586 8.720 -5.292 1.00 0.00 C ATOM 632 C SER A 44 5.854 9.513 -4.988 1.00 0.00 C ATOM 633 O SER A 44 5.800 10.712 -4.720 1.00 0.00 O ATOM 634 CB SER A 44 4.074 8.046 -4.017 1.00 0.00 C ATOM 635 OG SER A 44 4.804 6.865 -3.735 1.00 0.00 O ATOM 0 H SER A 44 5.328 6.891 -6.001 1.00 0.00 H new ATOM 0 HA SER A 44 3.827 9.410 -5.661 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.157 8.737 -3.178 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.017 7.806 -4.129 1.00 0.00 H new ATOM 0 HG SER A 44 4.581 6.177 -4.396 1.00 0.00 H new ATOM 641 N GLY A 45 6.995 8.832 -5.031 1.00 0.00 N ATOM 642 CA GLY A 45 8.260 9.487 -4.758 1.00 0.00 C ATOM 643 C GLY A 45 8.819 9.125 -3.396 1.00 0.00 C ATOM 644 O GLY A 45 9.978 9.411 -3.097 1.00 0.00 O ATOM 0 H GLY A 45 7.065 7.838 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.981 9.213 -5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.126 10.567 -4.817 1.00 0.00 H new ATOM 648 N ALA A 46 7.992 8.494 -2.567 1.00 0.00 N ATOM 649 CA ALA A 46 8.411 8.092 -1.231 1.00 0.00 C ATOM 650 C ALA A 46 8.828 6.626 -1.203 1.00 0.00 C ATOM 651 O ALA A 46 8.397 5.832 -2.040 1.00 0.00 O ATOM 652 CB ALA A 46 7.293 8.344 -0.230 1.00 0.00 C ATOM 0 H ALA A 46 7.029 8.251 -2.798 1.00 0.00 H new ATOM 0 HA ALA A 46 9.277 8.693 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.619 8.039 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.045 9.405 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.413 7.768 -0.515 1.00 0.00 H new ATOM 658 N LYS A 47 9.668 6.272 -0.237 1.00 0.00 N ATOM 659 CA LYS A 47 10.143 4.900 -0.099 1.00 0.00 C ATOM 660 C LYS A 47 9.162 4.064 0.715 1.00 0.00 C ATOM 661 O LYS A 47 8.745 4.463 1.803 1.00 0.00 O ATOM 662 CB LYS A 47 11.520 4.881 0.567 1.00 0.00 C ATOM 663 CG LYS A 47 11.909 3.521 1.121 1.00 0.00 C ATOM 664 CD LYS A 47 12.282 2.552 0.012 1.00 0.00 C ATOM 665 CE LYS A 47 13.675 1.977 0.218 1.00 0.00 C ATOM 666 NZ LYS A 47 14.738 2.968 -0.108 1.00 0.00 N ATOM 0 H LYS A 47 10.035 6.917 0.463 1.00 0.00 H new ATOM 0 HA LYS A 47 10.222 4.467 -1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.270 5.196 -0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.533 5.611 1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.750 3.633 1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.080 3.112 1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.554 1.741 -0.024 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.237 3.063 -0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.785 1.654 1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.799 1.093 -0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.672 2.538 0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.649 3.258 -1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.636 3.801 0.506 1.00 0.00 H new ATOM 680 N ILE A 48 8.797 2.903 0.182 1.00 0.00 N ATOM 681 CA ILE A 48 7.866 2.009 0.861 1.00 0.00 C ATOM 682 C ILE A 48 8.498 0.645 1.114 1.00 0.00 C ATOM 683 O ILE A 48 8.867 -0.065 0.176 1.00 0.00 O ATOM 684 CB ILE A 48 6.572 1.820 0.047 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.026 3.176 -0.404 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.534 1.072 0.870 1.00 0.00 C ATOM 687 CD1 ILE A 48 6.367 3.518 -1.837 1.00 0.00 C ATOM 0 H ILE A 48 9.132 2.559 -0.718 1.00 0.00 H new ATOM 0 HA ILE A 48 7.621 2.475 1.815 1.00 0.00 H new ATOM 0 HB ILE A 48 6.800 1.228 -0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.942 3.180 -0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.421 3.953 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.625 0.946 0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.926 0.093 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.306 1.640 1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.948 4.492 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.450 3.547 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.949 2.761 -2.501 1.00 0.00 H new ATOM 699 N THR A 49 8.621 0.282 2.387 1.00 0.00 N ATOM 700 CA THR A 49 9.208 -0.997 2.763 1.00 0.00 C ATOM 701 C THR A 49 8.283 -1.774 3.692 1.00 0.00 C ATOM 702 O THR A 49 7.325 -1.223 4.234 1.00 0.00 O ATOM 703 CB THR A 49 10.571 -0.808 3.456 1.00 0.00 C ATOM 704 OG1 THR A 49 11.183 -2.081 3.689 1.00 0.00 O ATOM 705 CG2 THR A 49 10.410 -0.068 4.774 1.00 0.00 C ATOM 0 H THR A 49 8.322 0.856 3.175 1.00 0.00 H new ATOM 0 HA THR A 49 9.352 -1.561 1.842 1.00 0.00 H new ATOM 0 HB THR A 49 11.208 -0.214 2.800 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.050 -1.952 4.128 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.386 0.053 5.245 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.972 0.913 4.589 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.757 -0.639 5.434 1.00 0.00 H new ATOM 713 N CYS A 50 8.575 -3.059 3.872 1.00 0.00 N ATOM 714 CA CYS A 50 7.768 -3.912 4.736 1.00 0.00 C ATOM 715 C CYS A 50 8.568 -4.365 5.954 1.00 0.00 C ATOM 716 O CYS A 50 9.771 -4.611 5.862 1.00 0.00 O ATOM 717 CB CYS A 50 7.266 -5.130 3.960 1.00 0.00 C ATOM 718 SG CYS A 50 8.521 -6.402 3.688 1.00 0.00 S ATOM 0 H CYS A 50 9.364 -3.531 3.431 1.00 0.00 H new ATOM 0 HA CYS A 50 6.912 -3.332 5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.428 -5.571 4.500 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.884 -4.800 2.994 1.00 0.00 H new ATOM 0 HG CYS A 50 9.539 -6.181 4.466 1.00 0.00 H new ATOM 858 N LEU A 60 0.278 -12.908 11.077 1.00 0.00 N ATOM 859 CA LEU A 60 -1.102 -12.743 10.634 1.00 0.00 C ATOM 860 C LEU A 60 -1.215 -11.616 9.613 1.00 0.00 C ATOM 861 O LEU A 60 -1.879 -11.759 8.587 1.00 0.00 O ATOM 862 CB LEU A 60 -2.011 -12.455 11.831 1.00 0.00 C ATOM 863 CG LEU A 60 -2.324 -13.646 12.737 1.00 0.00 C ATOM 864 CD1 LEU A 60 -2.326 -13.221 14.197 1.00 0.00 C ATOM 865 CD2 LEU A 60 -3.661 -14.267 12.358 1.00 0.00 C ATOM 0 HA LEU A 60 -1.419 -13.672 10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.546 -11.676 12.436 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.952 -12.050 11.458 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.545 -14.396 12.600 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.551 -14.082 14.826 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.346 -12.824 14.462 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.083 -12.452 14.351 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.868 -15.113 13.013 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.451 -13.524 12.465 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.623 -14.609 11.324 1.00 0.00 H new ATOM 877 N SER A 61 -0.558 -10.496 9.900 1.00 0.00 N ATOM 878 CA SER A 61 -0.586 -9.343 9.008 1.00 0.00 C ATOM 879 C SER A 61 0.812 -8.759 8.832 1.00 0.00 C ATOM 880 O SER A 61 1.687 -8.948 9.677 1.00 0.00 O ATOM 881 CB SER A 61 -1.534 -8.273 9.552 1.00 0.00 C ATOM 882 OG SER A 61 -2.774 -8.839 9.940 1.00 0.00 O ATOM 0 H SER A 61 0.000 -10.363 10.743 1.00 0.00 H new ATOM 0 HA SER A 61 -0.947 -9.676 8.035 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.074 -7.776 10.406 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.701 -7.510 8.792 1.00 0.00 H new ATOM 0 HG SER A 61 -3.361 -8.135 10.286 1.00 0.00 H new ATOM 888 N ARG A 62 1.014 -8.047 7.727 1.00 0.00 N ATOM 889 CA ARG A 62 2.306 -7.435 7.439 1.00 0.00 C ATOM 890 C ARG A 62 2.286 -5.944 7.763 1.00 0.00 C ATOM 891 O ARG A 62 1.229 -5.370 8.030 1.00 0.00 O ATOM 892 CB ARG A 62 2.676 -7.644 5.970 1.00 0.00 C ATOM 893 CG ARG A 62 3.253 -9.019 5.676 1.00 0.00 C ATOM 894 CD ARG A 62 4.773 -8.989 5.642 1.00 0.00 C ATOM 895 NE ARG A 62 5.297 -9.301 4.314 1.00 0.00 N ATOM 896 CZ ARG A 62 6.591 -9.298 4.016 1.00 0.00 C ATOM 897 NH1 ARG A 62 7.489 -9.002 4.946 1.00 0.00 N ATOM 898 NH2 ARG A 62 6.990 -9.592 2.785 1.00 0.00 N ATOM 0 H ARG A 62 0.300 -7.880 7.018 1.00 0.00 H new ATOM 0 HA ARG A 62 3.056 -7.915 8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.788 -7.493 5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.400 -6.885 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.919 -9.725 6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.873 -9.377 4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.123 -8.003 5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.166 -9.705 6.364 1.00 0.00 H new ATOM 0 HE ARG A 62 4.633 -9.534 3.576 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.186 -8.776 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.482 -9.001 4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.303 -9.820 2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.984 -9.589 2.557 1.00 0.00 H new ATOM 912 N LEU A 63 3.459 -5.322 7.736 1.00 0.00 N ATOM 913 CA LEU A 63 3.577 -3.898 8.027 1.00 0.00 C ATOM 914 C LEU A 63 4.298 -3.169 6.898 1.00 0.00 C ATOM 915 O LEU A 63 5.074 -3.770 6.154 1.00 0.00 O ATOM 916 CB LEU A 63 4.324 -3.686 9.344 1.00 0.00 C ATOM 917 CG LEU A 63 3.796 -2.569 10.244 1.00 0.00 C ATOM 918 CD1 LEU A 63 4.454 -2.629 11.614 1.00 0.00 C ATOM 919 CD2 LEU A 63 4.028 -1.210 9.599 1.00 0.00 C ATOM 0 H LEU A 63 4.342 -5.782 7.515 1.00 0.00 H new ATOM 0 HA LEU A 63 2.571 -3.487 8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.300 -4.620 9.906 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.369 -3.478 9.116 1.00 0.00 H new ATOM 0 HG LEU A 63 2.723 -2.710 10.373 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.065 -1.826 12.240 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.237 -3.590 12.080 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.532 -2.514 11.505 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.646 -0.427 10.254 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.096 -1.061 9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.509 -1.168 8.642 1.00 0.00 H new ATOM 931 N ILE A 64 4.037 -1.871 6.776 1.00 0.00 N ATOM 932 CA ILE A 64 4.664 -1.061 5.739 1.00 0.00 C ATOM 933 C ILE A 64 5.248 0.221 6.322 1.00 0.00 C ATOM 934 O ILE A 64 4.768 0.731 7.335 1.00 0.00 O ATOM 935 CB ILE A 64 3.662 -0.697 4.627 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.187 -1.958 3.905 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.294 0.278 3.644 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.209 -2.525 2.945 1.00 0.00 C ATOM 0 H ILE A 64 3.396 -1.359 7.382 1.00 0.00 H new ATOM 0 HA ILE A 64 5.467 -1.661 5.311 1.00 0.00 H new ATOM 0 HB ILE A 64 2.796 -0.215 5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.935 -2.718 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.273 -1.731 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.574 0.526 2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.587 1.187 4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.175 -0.180 3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.805 -3.418 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.444 -1.782 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.116 -2.784 3.491 1.00 0.00 H new ATOM 950 N LYS A 65 6.287 0.739 5.675 1.00 0.00 N ATOM 951 CA LYS A 65 6.937 1.963 6.127 1.00 0.00 C ATOM 952 C LYS A 65 7.068 2.963 4.982 1.00 0.00 C ATOM 953 O LYS A 65 7.824 2.740 4.035 1.00 0.00 O ATOM 954 CB LYS A 65 8.319 1.649 6.705 1.00 0.00 C ATOM 955 CG LYS A 65 8.336 1.556 8.221 1.00 0.00 C ATOM 956 CD LYS A 65 9.661 1.013 8.730 1.00 0.00 C ATOM 957 CE LYS A 65 9.521 -0.416 9.231 1.00 0.00 C ATOM 958 NZ LYS A 65 9.703 -0.507 10.707 1.00 0.00 N ATOM 0 H LYS A 65 6.697 0.330 4.835 1.00 0.00 H new ATOM 0 HA LYS A 65 6.318 2.407 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.673 0.706 6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.020 2.421 6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.157 2.542 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.524 0.911 8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.401 1.049 7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.030 1.648 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.537 -0.800 8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.257 -1.049 8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.085 -1.443 10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.365 0.231 11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.786 -0.373 11.179 1.00 0.00 H new ATOM 972 N ILE A 66 6.331 4.064 5.076 1.00 0.00 N ATOM 973 CA ILE A 66 6.368 5.098 4.050 1.00 0.00 C ATOM 974 C ILE A 66 7.224 6.280 4.491 1.00 0.00 C ATOM 975 O ILE A 66 6.992 6.867 5.547 1.00 0.00 O ATOM 976 CB ILE A 66 4.954 5.603 3.706 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.051 4.430 3.318 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.014 6.626 2.582 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.695 4.463 3.988 1.00 0.00 C ATOM 0 H ILE A 66 5.701 4.263 5.853 1.00 0.00 H new ATOM 0 HA ILE A 66 6.808 4.644 3.162 1.00 0.00 H new ATOM 0 HB ILE A 66 4.533 6.086 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.913 4.431 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.551 3.496 3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.007 6.973 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.627 7.472 2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.452 6.167 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.109 3.602 3.666 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.823 4.431 5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.175 5.380 3.711 1.00 0.00 H new ATOM 991 N SER A 67 8.214 6.626 3.673 1.00 0.00 N ATOM 992 CA SER A 67 9.106 7.737 3.980 1.00 0.00 C ATOM 993 C SER A 67 9.238 8.674 2.783 1.00 0.00 C ATOM 994 O SER A 67 9.138 8.248 1.632 1.00 0.00 O ATOM 995 CB SER A 67 10.485 7.214 4.387 1.00 0.00 C ATOM 996 OG SER A 67 10.898 6.154 3.542 1.00 0.00 O ATOM 0 H SER A 67 8.418 6.152 2.793 1.00 0.00 H new ATOM 0 HA SER A 67 8.677 8.296 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.213 8.024 4.341 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.456 6.869 5.421 1.00 0.00 H new ATOM 0 HG SER A 67 11.783 5.838 3.822 1.00 0.00 H new ATOM 1002 N GLY A 68 9.463 9.954 3.063 1.00 0.00 N ATOM 1003 CA GLY A 68 9.605 10.933 2.000 1.00 0.00 C ATOM 1004 C GLY A 68 9.024 12.282 2.374 1.00 0.00 C ATOM 1005 O GLY A 68 8.743 12.544 3.545 1.00 0.00 O ATOM 0 H GLY A 68 9.550 10.331 4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.661 11.050 1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.110 10.564 1.102 1.00 0.00 H new ATOM 1009 N THR A 69 8.844 13.144 1.377 1.00 0.00 N ATOM 1010 CA THR A 69 8.296 14.474 1.608 1.00 0.00 C ATOM 1011 C THR A 69 6.794 14.414 1.863 1.00 0.00 C ATOM 1012 O THR A 69 6.096 13.566 1.309 1.00 0.00 O ATOM 1013 CB THR A 69 8.565 15.406 0.411 1.00 0.00 C ATOM 1014 OG1 THR A 69 8.220 14.746 -0.812 1.00 0.00 O ATOM 1015 CG2 THR A 69 10.026 15.829 0.371 1.00 0.00 C ATOM 0 H THR A 69 9.070 12.944 0.403 1.00 0.00 H new ATOM 0 HA THR A 69 8.795 14.873 2.491 1.00 0.00 H new ATOM 0 HB THR A 69 7.949 16.297 0.528 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.393 15.346 -1.567 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.191 16.486 -0.483 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.277 16.358 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.658 14.946 0.277 1.00 0.00 H new ATOM 1023 N GLN A 70 6.305 15.320 2.704 1.00 0.00 N ATOM 1024 CA GLN A 70 4.884 15.368 3.031 1.00 0.00 C ATOM 1025 C GLN A 70 4.032 15.114 1.794 1.00 0.00 C ATOM 1026 O GLN A 70 2.892 14.658 1.894 1.00 0.00 O ATOM 1027 CB GLN A 70 4.527 16.723 3.643 1.00 0.00 C ATOM 1028 CG GLN A 70 3.159 16.750 4.304 1.00 0.00 C ATOM 1029 CD GLN A 70 3.187 16.226 5.726 1.00 0.00 C ATOM 1030 OE1 GLN A 70 3.566 16.939 6.655 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.784 14.973 5.904 1.00 0.00 N ATOM 0 H GLN A 70 6.870 16.029 3.171 1.00 0.00 H new ATOM 0 HA GLN A 70 4.677 14.583 3.758 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.283 16.990 4.381 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.560 17.484 2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.780 17.772 4.305 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.463 16.153 3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.478 14.417 5.105 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.781 14.566 6.839 1.00 0.00 H new ATOM 1040 N LYS A 71 4.589 15.414 0.625 1.00 0.00 N ATOM 1041 CA LYS A 71 3.880 15.218 -0.634 1.00 0.00 C ATOM 1042 C LYS A 71 3.805 13.736 -0.991 1.00 0.00 C ATOM 1043 O LYS A 71 2.760 13.245 -1.419 1.00 0.00 O ATOM 1044 CB LYS A 71 4.574 15.989 -1.759 1.00 0.00 C ATOM 1045 CG LYS A 71 4.159 17.447 -1.844 1.00 0.00 C ATOM 1046 CD LYS A 71 5.218 18.290 -2.534 1.00 0.00 C ATOM 1047 CE LYS A 71 4.592 19.348 -3.429 1.00 0.00 C ATOM 1048 NZ LYS A 71 5.135 19.295 -4.814 1.00 0.00 N ATOM 0 H LYS A 71 5.530 15.794 0.524 1.00 0.00 H new ATOM 0 HA LYS A 71 2.865 15.597 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.653 15.935 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.356 15.502 -2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.218 17.527 -2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.981 17.834 -0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.847 18.771 -1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.867 17.646 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.512 19.207 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.774 20.336 -3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.683 20.032 -5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.162 19.455 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.939 18.361 -5.228 1.00 0.00 H new ATOM 1062 N GLU A 72 4.916 13.031 -0.810 1.00 0.00 N ATOM 1063 CA GLU A 72 4.973 11.605 -1.113 1.00 0.00 C ATOM 1064 C GLU A 72 4.306 10.788 -0.011 1.00 0.00 C ATOM 1065 O GLU A 72 3.276 10.152 -0.231 1.00 0.00 O ATOM 1066 CB GLU A 72 6.426 11.156 -1.288 1.00 0.00 C ATOM 1067 CG GLU A 72 7.224 12.034 -2.237 1.00 0.00 C ATOM 1068 CD GLU A 72 8.701 12.069 -1.895 1.00 0.00 C ATOM 1069 OE1 GLU A 72 9.096 11.415 -0.908 1.00 0.00 O ATOM 1070 OE2 GLU A 72 9.461 12.751 -2.615 1.00 0.00 O ATOM 0 H GLU A 72 5.789 13.423 -0.455 1.00 0.00 H new ATOM 0 HA GLU A 72 4.433 11.435 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.915 11.150 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.439 10.131 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.099 11.668 -3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.825 13.048 -2.211 1.00 0.00 H new ATOM 1077 N VAL A 73 4.902 10.810 1.177 1.00 0.00 N ATOM 1078 CA VAL A 73 4.366 10.072 2.315 1.00 0.00 C ATOM 1079 C VAL A 73 2.849 10.197 2.386 1.00 0.00 C ATOM 1080 O VAL A 73 2.167 9.317 2.911 1.00 0.00 O ATOM 1081 CB VAL A 73 4.974 10.568 3.642 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.396 9.793 4.816 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.491 10.450 3.609 1.00 0.00 C ATOM 0 H VAL A 73 5.756 11.331 1.376 1.00 0.00 H new ATOM 0 HA VAL A 73 4.635 9.026 2.169 1.00 0.00 H new ATOM 0 HB VAL A 73 4.717 11.619 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.837 10.157 5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.316 9.933 4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.621 8.733 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.904 10.804 4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.772 9.408 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.885 11.053 2.791 1.00 0.00 H new ATOM 1093 N ALA A 74 2.326 11.296 1.853 1.00 0.00 N ATOM 1094 CA ALA A 74 0.888 11.536 1.853 1.00 0.00 C ATOM 1095 C ALA A 74 0.230 10.930 0.618 1.00 0.00 C ATOM 1096 O ALA A 74 -0.874 10.391 0.692 1.00 0.00 O ATOM 1097 CB ALA A 74 0.601 13.028 1.927 1.00 0.00 C ATOM 0 H ALA A 74 2.877 12.035 1.415 1.00 0.00 H new ATOM 0 HA ALA A 74 0.465 11.052 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.477 13.192 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.029 13.436 2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.044 13.527 1.065 1.00 0.00 H new ATOM 1103 N ALA A 75 0.915 11.021 -0.517 1.00 0.00 N ATOM 1104 CA ALA A 75 0.398 10.480 -1.768 1.00 0.00 C ATOM 1105 C ALA A 75 0.549 8.963 -1.814 1.00 0.00 C ATOM 1106 O ALA A 75 -0.427 8.239 -2.004 1.00 0.00 O ATOM 1107 CB ALA A 75 1.107 11.120 -2.952 1.00 0.00 C ATOM 0 H ALA A 75 1.830 11.465 -0.596 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.665 10.714 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.711 10.707 -3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.943 12.197 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.176 10.915 -2.890 1.00 0.00 H new ATOM 1113 N ALA A 76 1.778 8.490 -1.640 1.00 0.00 N ATOM 1114 CA ALA A 76 2.056 7.060 -1.660 1.00 0.00 C ATOM 1115 C ALA A 76 1.068 6.296 -0.785 1.00 0.00 C ATOM 1116 O ALA A 76 0.627 5.202 -1.137 1.00 0.00 O ATOM 1117 CB ALA A 76 3.484 6.792 -1.206 1.00 0.00 C ATOM 0 H ALA A 76 2.598 9.077 -1.483 1.00 0.00 H new ATOM 0 HA ALA A 76 1.941 6.708 -2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.677 5.719 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.180 7.298 -1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.619 7.166 -0.191 1.00 0.00 H new ATOM 1123 N LYS A 77 0.726 6.878 0.359 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.210 6.253 1.286 1.00 0.00 C ATOM 1125 C LYS A 77 -1.481 5.817 0.564 1.00 0.00 C ATOM 1126 O LYS A 77 -2.027 4.748 0.838 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.560 7.221 2.419 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.960 6.526 3.710 1.00 0.00 C ATOM 1129 CD LYS A 77 -1.580 7.500 4.697 1.00 0.00 C ATOM 1130 CE LYS A 77 -0.552 8.012 5.696 1.00 0.00 C ATOM 1131 NZ LYS A 77 -1.162 8.928 6.700 1.00 0.00 N ATOM 0 H LYS A 77 1.083 7.782 0.667 1.00 0.00 H new ATOM 0 HA LYS A 77 0.269 5.369 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.298 7.865 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.377 7.866 2.095 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.669 5.728 3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.084 6.059 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.014 8.341 4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.395 7.010 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.091 7.167 6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.243 8.534 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.429 9.255 7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.580 9.747 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.903 8.422 7.226 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.948 6.652 -0.360 1.00 0.00 N ATOM 1146 CA HIS A 78 -3.154 6.351 -1.123 1.00 0.00 C ATOM 1147 C HIS A 78 -2.892 5.246 -2.141 1.00 0.00 C ATOM 1148 O HIS A 78 -3.759 4.413 -2.407 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.659 7.607 -1.833 1.00 0.00 C ATOM 1150 CG HIS A 78 -5.088 7.512 -2.275 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -6.144 7.956 -1.507 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.632 7.021 -3.413 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -7.275 7.741 -2.153 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.993 7.175 -3.313 1.00 0.00 N ATOM 0 H HIS A 78 -1.509 7.542 -0.598 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.918 6.004 -0.427 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.550 8.461 -1.164 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.030 7.801 -2.702 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.096 6.589 -4.245 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.264 7.986 -1.794 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.675 6.898 -4.019 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.690 5.245 -2.709 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.313 4.243 -3.699 1.00 0.00 C ATOM 1164 C LEU A 79 -1.192 2.863 -3.059 1.00 0.00 C ATOM 1165 O LEU A 79 -1.534 1.852 -3.672 1.00 0.00 O ATOM 1166 CB LEU A 79 0.008 4.627 -4.365 1.00 0.00 C ATOM 1167 CG LEU A 79 0.051 6.004 -5.029 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.375 6.210 -5.747 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.113 6.165 -5.996 1.00 0.00 C ATOM 0 H LEU A 79 -0.961 5.927 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.096 4.204 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.796 4.584 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.244 3.875 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.039 6.764 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.387 7.195 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.193 6.138 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.496 5.445 -6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.067 7.150 -6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.054 5.398 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.053 6.062 -5.454 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.705 2.831 -1.824 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.542 1.577 -1.099 1.00 0.00 C ATOM 1183 C ILE A 80 -1.891 0.930 -0.809 1.00 0.00 C ATOM 1184 O ILE A 80 -2.035 -0.292 -0.877 1.00 0.00 O ATOM 1185 CB ILE A 80 0.211 1.787 0.228 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.565 2.450 -0.027 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.393 0.460 0.950 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.070 3.264 1.144 1.00 0.00 C ATOM 0 H ILE A 80 -0.416 3.659 -1.304 1.00 0.00 H new ATOM 0 HA ILE A 80 0.044 0.917 -1.739 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.381 2.446 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.298 1.680 -0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.485 3.097 -0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.927 0.625 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.583 0.024 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.966 -0.221 0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.035 3.705 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.357 4.057 1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.183 2.618 2.015 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.881 1.757 -0.488 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.221 1.266 -0.189 1.00 0.00 C ATOM 1202 C LEU A 81 -4.938 0.830 -1.463 1.00 0.00 C ATOM 1203 O LEU A 81 -5.767 -0.080 -1.439 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.035 2.349 0.522 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.844 2.445 2.036 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -4.862 3.899 2.484 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -5.918 1.649 2.761 1.00 0.00 C ATOM 0 H LEU A 81 -2.780 2.770 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.126 0.401 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.782 3.314 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.092 2.173 0.319 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.873 2.019 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.725 3.949 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.056 4.442 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.818 4.350 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.766 1.729 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.900 2.044 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.859 0.602 2.463 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.610 1.482 -2.574 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.222 1.160 -3.857 1.00 0.00 C ATOM 1221 C GLU A 82 -5.121 -0.335 -4.148 1.00 0.00 C ATOM 1222 O GLU A 82 -5.994 -0.914 -4.794 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.553 1.955 -4.981 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.076 3.376 -5.114 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.587 3.680 -6.508 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -6.349 2.855 -7.054 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -5.225 4.743 -7.055 1.00 0.00 O ATOM 0 H GLU A 82 -3.924 2.236 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.276 1.433 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.478 1.987 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.704 1.431 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.879 3.533 -4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.281 4.077 -4.861 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.047 -0.953 -3.669 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.829 -2.380 -3.875 1.00 0.00 C ATOM 1236 C LYS A 83 -4.593 -3.202 -2.841 1.00 0.00 C ATOM 1237 O LYS A 83 -5.047 -4.310 -3.127 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.336 -2.706 -3.799 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.581 -2.399 -5.081 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.366 -0.906 -5.258 1.00 0.00 C ATOM 1241 CE LYS A 83 -1.038 -0.558 -6.702 1.00 0.00 C ATOM 1242 NZ LYS A 83 -2.267 -0.327 -7.511 1.00 0.00 N ATOM 0 H LYS A 83 -3.313 -0.488 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.201 -2.639 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.890 -2.141 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.215 -3.763 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.617 -2.907 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.135 -2.791 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.262 -0.369 -4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.555 -0.575 -4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.414 0.335 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.457 -1.366 -7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.000 -0.093 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.851 -1.187 -7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.809 0.461 -7.102 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.732 -2.653 -1.639 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.443 -3.334 -0.564 1.00 0.00 C ATOM 1258 C VAL A 84 -6.910 -3.544 -0.921 1.00 0.00 C ATOM 1259 O VAL A 84 -7.449 -4.637 -0.758 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.355 -2.544 0.755 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -6.155 -3.238 1.847 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.903 -2.369 1.175 1.00 0.00 C ATOM 0 H VAL A 84 -4.361 -1.737 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.963 -4.303 -0.431 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.785 -1.555 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -6.081 -2.666 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.200 -3.306 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.758 -4.240 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.859 -1.809 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.445 -3.348 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.363 -1.825 0.400 1.00 0.00 H new ATOM 1272 N SER A 85 -7.551 -2.487 -1.412 1.00 0.00 N ATOM 1273 CA SER A 85 -8.958 -2.554 -1.790 1.00 0.00 C ATOM 1274 C SER A 85 -9.158 -3.497 -2.973 1.00 0.00 C ATOM 1275 O SER A 85 -10.251 -4.020 -3.184 1.00 0.00 O ATOM 1276 CB SER A 85 -9.480 -1.159 -2.141 1.00 0.00 C ATOM 1277 OG SER A 85 -9.677 -0.380 -0.974 1.00 0.00 O ATOM 0 H SER A 85 -7.118 -1.575 -1.557 1.00 0.00 H new ATOM 0 HA SER A 85 -9.520 -2.941 -0.940 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.772 -0.658 -2.801 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.419 -1.245 -2.687 1.00 0.00 H new ATOM 0 HG SER A 85 -10.009 0.507 -1.225 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.092 -3.708 -3.740 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.152 -4.586 -4.902 1.00 0.00 C ATOM 1285 C GLU A 86 -8.349 -6.038 -4.477 1.00 0.00 C ATOM 1286 O GLU A 86 -9.405 -6.626 -4.708 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.874 -4.456 -5.733 1.00 0.00 C ATOM 1288 CG GLU A 86 -6.962 -3.402 -6.824 1.00 0.00 C ATOM 1289 CD GLU A 86 -5.957 -3.629 -7.937 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -5.997 -4.710 -8.561 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -5.132 -2.725 -8.183 1.00 0.00 O ATOM 0 H GLU A 86 -7.179 -3.284 -3.577 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.005 -4.284 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.043 -4.213 -5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.647 -5.420 -6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.968 -3.401 -7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.798 -2.417 -6.387 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.324 -6.611 -3.855 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.383 -7.994 -3.396 1.00 0.00 C ATOM 1300 C ASP A 87 -8.527 -8.189 -2.405 1.00 0.00 C ATOM 1301 O ASP A 87 -9.043 -9.296 -2.251 1.00 0.00 O ATOM 1302 CB ASP A 87 -6.058 -8.397 -2.750 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.737 -9.865 -2.952 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.681 -10.682 -2.961 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.542 -10.195 -3.101 1.00 0.00 O ATOM 0 H ASP A 87 -6.442 -6.139 -3.657 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.564 -8.631 -4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.254 -7.792 -3.169 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.097 -8.180 -1.682 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.916 -7.108 -1.737 1.00 0.00 N ATOM 1311 CA GLU A 88 -9.997 -7.162 -0.760 1.00 0.00 C ATOM 1312 C GLU A 88 -11.316 -7.538 -1.429 1.00 0.00 C ATOM 1313 O GLU A 88 -12.058 -8.383 -0.929 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.139 -5.815 -0.049 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.398 -5.701 0.793 1.00 0.00 C ATOM 1316 CD GLU A 88 -11.191 -6.171 2.220 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -11.024 -7.391 2.424 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -11.197 -5.318 3.133 1.00 0.00 O ATOM 0 H GLU A 88 -8.499 -6.185 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.751 -7.928 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.270 -5.657 0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.137 -5.019 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.732 -4.664 0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.193 -6.288 0.333 1.00 0.00 H new