USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 526 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 15 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= -0.163 (180deg=-1.01) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 148:sc= -2.56 (180deg=-5.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.102) USER MOD Single : A 27 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.74) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 34:sc= 0.598 USER MOD Single : A 42 HIS : no HD1:sc= -2.51! K(o=-2.5!,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -1.64! C(o=-1.6!,f=-4.2!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -99:sc= 0.496 USER MOD Single : A 63 SER OG : rot -86:sc= -0.866 USER MOD Single : A 67 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-0.9) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.268 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0517 USER MOD Single : A 74 LYS NZ :NH3+ -121:sc= -0.0105 (180deg=-0.332) USER MOD Single : A 75 THR OG1 : rot -165:sc= 0.652 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.569 K(o=-0.57,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 14.968 0.779 -0.903 1.00 0.00 N ATOM 158 CA PHE A 14 13.736 0.000 -0.923 1.00 0.00 C ATOM 159 C PHE A 14 14.020 -1.473 -0.643 1.00 0.00 C ATOM 160 O PHE A 14 15.071 -1.995 -1.015 1.00 0.00 O ATOM 161 CB PHE A 14 13.036 0.147 -2.276 1.00 0.00 C ATOM 162 CG PHE A 14 12.396 1.491 -2.476 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.164 2.597 -2.803 1.00 0.00 C ATOM 164 CD2 PHE A 14 11.026 1.649 -2.336 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.578 3.835 -2.988 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.435 2.884 -2.520 1.00 0.00 C ATOM 167 CZ PHE A 14 11.212 3.979 -2.846 1.00 0.00 C ATOM 0 HA PHE A 14 13.081 0.382 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.761 -0.023 -3.072 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.274 -0.627 -2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.233 2.490 -2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.414 0.797 -2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.188 4.689 -3.243 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.366 2.994 -2.409 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.752 4.946 -2.989 1.00 0.00 H new ATOM 177 N GLN A 15 13.075 -2.137 0.016 1.00 0.00 N ATOM 178 CA GLN A 15 13.225 -3.549 0.348 1.00 0.00 C ATOM 179 C GLN A 15 12.162 -4.388 -0.354 1.00 0.00 C ATOM 180 O GLN A 15 11.235 -3.853 -0.962 1.00 0.00 O ATOM 181 CB GLN A 15 13.134 -3.752 1.861 1.00 0.00 C ATOM 182 CG GLN A 15 14.361 -3.264 2.615 1.00 0.00 C ATOM 183 CD GLN A 15 15.426 -4.335 2.751 1.00 0.00 C ATOM 184 OE1 GLN A 15 15.650 -5.124 1.832 1.00 0.00 O ATOM 185 NE2 GLN A 15 16.090 -4.367 3.900 1.00 0.00 N ATOM 0 H GLN A 15 12.199 -1.720 0.330 1.00 0.00 H new ATOM 0 HA GLN A 15 14.206 -3.875 0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.255 -3.229 2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.988 -4.812 2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.782 -2.402 2.097 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.062 -2.926 3.607 1.00 0.00 H new ATOM 0 HE21 GLN A 15 15.871 -3.694 4.634 1.00 0.00 H new ATOM 0 HE22 GLN A 15 16.819 -5.065 4.049 1.00 0.00 H new ATOM 194 N LYS A 16 12.302 -5.706 -0.266 1.00 0.00 N ATOM 195 CA LYS A 16 11.355 -6.621 -0.891 1.00 0.00 C ATOM 196 C LYS A 16 10.368 -7.168 0.135 1.00 0.00 C ATOM 197 O LYS A 16 10.609 -7.100 1.341 1.00 0.00 O ATOM 198 CB LYS A 16 12.098 -7.776 -1.565 1.00 0.00 C ATOM 199 CG LYS A 16 12.595 -7.447 -2.963 1.00 0.00 C ATOM 200 CD LYS A 16 13.814 -8.276 -3.331 1.00 0.00 C ATOM 201 CE LYS A 16 13.483 -9.760 -3.385 1.00 0.00 C ATOM 202 NZ LYS A 16 13.681 -10.420 -2.065 1.00 0.00 N ATOM 0 H LYS A 16 13.064 -6.165 0.233 1.00 0.00 H new ATOM 0 HA LYS A 16 10.798 -6.066 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.947 -8.062 -0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.437 -8.641 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.799 -7.628 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.843 -6.387 -3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.197 -7.952 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.606 -8.105 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.449 -9.890 -3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.111 -10.245 -4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.948 -11.415 -2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.436 -9.932 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.797 -10.375 -1.518 1.00 0.00 H new ATOM 216 N LYS A 17 9.256 -7.710 -0.350 1.00 0.00 N ATOM 217 CA LYS A 17 8.234 -8.272 0.525 1.00 0.00 C ATOM 218 C LYS A 17 7.676 -7.206 1.464 1.00 0.00 C ATOM 219 O LYS A 17 7.188 -7.517 2.550 1.00 0.00 O ATOM 220 CB LYS A 17 8.810 -9.432 1.339 1.00 0.00 C ATOM 221 CG LYS A 17 9.693 -10.364 0.527 1.00 0.00 C ATOM 222 CD LYS A 17 10.123 -11.574 1.340 1.00 0.00 C ATOM 223 CE LYS A 17 8.987 -12.575 1.492 1.00 0.00 C ATOM 224 NZ LYS A 17 9.241 -13.538 2.598 1.00 0.00 N ATOM 0 H LYS A 17 9.040 -7.772 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 17 7.422 -8.644 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.388 -9.030 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.989 -10.006 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.155 -10.694 -0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.575 -9.823 0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.972 -12.056 0.856 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.459 -11.251 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.056 -12.041 1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.857 -13.121 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.445 -14.203 2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.116 -14.066 2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.340 -13.019 3.494 1.00 0.00 H new ATOM 238 N MET A 18 7.750 -5.950 1.037 1.00 0.00 N ATOM 239 CA MET A 18 7.250 -4.840 1.839 1.00 0.00 C ATOM 240 C MET A 18 6.059 -4.172 1.160 1.00 0.00 C ATOM 241 O MET A 18 5.591 -4.627 0.116 1.00 0.00 O ATOM 242 CB MET A 18 8.359 -3.813 2.075 1.00 0.00 C ATOM 243 CG MET A 18 8.613 -2.907 0.880 1.00 0.00 C ATOM 244 SD MET A 18 9.739 -1.552 1.263 1.00 0.00 S ATOM 245 CE MET A 18 9.724 -0.652 -0.285 1.00 0.00 C ATOM 0 H MET A 18 8.151 -5.676 0.140 1.00 0.00 H new ATOM 0 HA MET A 18 6.922 -5.237 2.800 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.097 -3.199 2.937 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.281 -4.337 2.326 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.026 -3.498 0.062 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.665 -2.499 0.531 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.857 0.412 -0.089 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.535 -1.008 -0.921 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.771 -0.811 -0.789 1.00 0.00 H new ATOM 255 N LYS A 19 5.571 -3.091 1.759 1.00 0.00 N ATOM 256 CA LYS A 19 4.435 -2.359 1.213 1.00 0.00 C ATOM 257 C LYS A 19 4.819 -0.918 0.891 1.00 0.00 C ATOM 258 O LYS A 19 5.666 -0.327 1.562 1.00 0.00 O ATOM 259 CB LYS A 19 3.267 -2.378 2.201 1.00 0.00 C ATOM 260 CG LYS A 19 2.583 -3.731 2.309 1.00 0.00 C ATOM 261 CD LYS A 19 2.116 -4.229 0.952 1.00 0.00 C ATOM 262 CE LYS A 19 0.891 -5.121 1.078 1.00 0.00 C ATOM 263 NZ LYS A 19 1.201 -6.393 1.787 1.00 0.00 N ATOM 0 H LYS A 19 5.946 -2.702 2.624 1.00 0.00 H new ATOM 0 HA LYS A 19 4.129 -2.850 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.630 -2.084 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.533 -1.632 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.272 -4.454 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.730 -3.656 2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.884 -3.378 0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.922 -4.782 0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.107 -4.587 1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.501 -5.345 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.340 -6.973 1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.931 -6.915 1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.549 -6.181 2.744 1.00 0.00 H new ATOM 277 N LEU A 20 4.190 -0.359 -0.136 1.00 0.00 N ATOM 278 CA LEU A 20 4.465 1.014 -0.545 1.00 0.00 C ATOM 279 C LEU A 20 3.358 1.544 -1.452 1.00 0.00 C ATOM 280 O LEU A 20 2.782 0.799 -2.243 1.00 0.00 O ATOM 281 CB LEU A 20 5.812 1.093 -1.266 1.00 0.00 C ATOM 282 CG LEU A 20 5.767 0.956 -2.789 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.624 2.322 -3.443 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.013 0.247 -3.298 1.00 0.00 C ATOM 0 H LEU A 20 3.486 -0.835 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 20 4.503 1.633 0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.277 2.048 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.460 0.311 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 20 4.897 0.355 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.594 2.205 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.702 2.794 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.474 2.947 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.964 0.158 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.897 0.821 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.072 -0.747 -2.855 1.00 0.00 H new ATOM 296 N GLU A 21 3.069 2.836 -1.331 1.00 0.00 N ATOM 297 CA GLU A 21 2.033 3.465 -2.141 1.00 0.00 C ATOM 298 C GLU A 21 2.592 3.914 -3.488 1.00 0.00 C ATOM 299 O GLU A 21 3.506 4.736 -3.551 1.00 0.00 O ATOM 300 CB GLU A 21 1.433 4.663 -1.401 1.00 0.00 C ATOM 301 CG GLU A 21 0.509 4.274 -0.260 1.00 0.00 C ATOM 302 CD GLU A 21 -0.333 5.435 0.231 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.295 6.508 -0.406 1.00 0.00 O ATOM 304 OE2 GLU A 21 -1.031 5.270 1.254 1.00 0.00 O ATOM 0 H GLU A 21 3.537 3.467 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 21 1.250 2.728 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.242 5.279 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.880 5.278 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.147 3.467 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.103 3.886 0.567 1.00 0.00 H new ATOM 311 N VAL A 22 2.037 3.366 -4.564 1.00 0.00 N ATOM 312 CA VAL A 22 2.478 3.709 -5.911 1.00 0.00 C ATOM 313 C VAL A 22 1.384 4.442 -6.678 1.00 0.00 C ATOM 314 O VAL A 22 0.213 4.065 -6.624 1.00 0.00 O ATOM 315 CB VAL A 22 2.892 2.454 -6.702 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.155 2.803 -8.159 1.00 0.00 C ATOM 317 CG2 VAL A 22 4.116 1.807 -6.072 1.00 0.00 C ATOM 0 H VAL A 22 1.281 2.682 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 22 3.343 4.364 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 22 2.071 1.737 -6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.446 1.904 -8.702 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.250 3.218 -8.603 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.958 3.538 -8.218 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.395 0.922 -6.644 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.944 2.516 -6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.888 1.519 -5.046 1.00 0.00 H new ATOM 327 N VAL A 23 1.773 5.492 -7.394 1.00 0.00 N ATOM 328 CA VAL A 23 0.826 6.278 -8.175 1.00 0.00 C ATOM 329 C VAL A 23 0.509 5.598 -9.502 1.00 0.00 C ATOM 330 O VAL A 23 1.404 5.329 -10.303 1.00 0.00 O ATOM 331 CB VAL A 23 1.366 7.694 -8.453 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.401 8.469 -9.337 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.617 8.433 -7.148 1.00 0.00 C ATOM 0 H VAL A 23 2.738 5.818 -7.449 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.086 6.354 -7.582 1.00 0.00 H new ATOM 0 HB VAL A 23 2.315 7.605 -8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.799 9.467 -9.523 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.276 7.946 -10.285 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.564 8.551 -8.838 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.998 9.431 -7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.684 8.513 -6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.349 7.885 -6.555 1.00 0.00 H new ATOM 343 N ASP A 24 -0.771 5.322 -9.729 1.00 0.00 N ATOM 344 CA ASP A 24 -1.207 4.674 -10.960 1.00 0.00 C ATOM 345 C ASP A 24 -0.945 5.569 -12.167 1.00 0.00 C ATOM 346 O ASP A 24 -1.511 6.656 -12.284 1.00 0.00 O ATOM 347 CB ASP A 24 -2.695 4.328 -10.880 1.00 0.00 C ATOM 348 CG ASP A 24 -3.075 3.189 -11.805 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.236 2.802 -12.646 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.211 2.684 -11.688 1.00 0.00 O ATOM 0 H ASP A 24 -1.525 5.537 -9.076 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.634 3.755 -11.080 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.948 4.059 -9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.284 5.210 -11.133 1.00 0.00 H new ATOM 355 N LYS A 25 -0.081 5.105 -13.064 1.00 0.00 N ATOM 356 CA LYS A 25 0.258 5.861 -14.264 1.00 0.00 C ATOM 357 C LYS A 25 -1.001 6.368 -14.961 1.00 0.00 C ATOM 358 O LYS A 25 -1.178 7.572 -15.144 1.00 0.00 O ATOM 359 CB LYS A 25 1.072 4.994 -15.226 1.00 0.00 C ATOM 360 CG LYS A 25 1.884 3.914 -14.532 1.00 0.00 C ATOM 361 CD LYS A 25 2.691 4.479 -13.375 1.00 0.00 C ATOM 362 CE LYS A 25 4.050 4.982 -13.836 1.00 0.00 C ATOM 363 NZ LYS A 25 5.066 4.908 -12.750 1.00 0.00 N ATOM 0 H LYS A 25 0.398 4.208 -12.982 1.00 0.00 H new ATOM 0 HA LYS A 25 0.858 6.720 -13.964 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.395 4.525 -15.941 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.746 5.633 -15.797 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.216 3.135 -14.165 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.556 3.445 -15.250 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.139 5.295 -12.909 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.825 3.710 -12.614 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.386 4.391 -14.688 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.959 6.013 -14.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.901 5.468 -13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.662 5.287 -11.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.346 3.917 -12.604 1.00 0.00 H new ATOM 377 N ARG A 26 -1.872 5.441 -15.346 1.00 0.00 N ATOM 378 CA ARG A 26 -3.114 5.795 -16.023 1.00 0.00 C ATOM 379 C ARG A 26 -3.950 6.741 -15.165 1.00 0.00 C ATOM 380 O ARG A 26 -4.658 7.603 -15.685 1.00 0.00 O ATOM 381 CB ARG A 26 -3.921 4.536 -16.345 1.00 0.00 C ATOM 382 CG ARG A 26 -4.053 3.580 -15.171 1.00 0.00 C ATOM 383 CD ARG A 26 -3.984 2.129 -15.622 1.00 0.00 C ATOM 384 NE ARG A 26 -2.710 1.817 -16.264 1.00 0.00 N ATOM 385 CZ ARG A 26 -2.351 0.590 -16.625 1.00 0.00 C ATOM 386 NH1 ARG A 26 -3.165 -0.434 -16.408 1.00 0.00 N ATOM 387 NH2 ARG A 26 -1.175 0.385 -17.204 1.00 0.00 N ATOM 0 H ARG A 26 -1.741 4.440 -15.201 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.859 6.303 -16.953 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.917 4.828 -16.678 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.447 4.014 -17.176 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.259 3.776 -14.450 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.999 3.758 -14.660 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.127 1.475 -14.762 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.799 1.926 -16.316 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.061 2.583 -16.445 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.070 -0.281 -15.963 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.886 -1.375 -16.686 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.546 1.170 -17.372 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.900 -0.557 -17.481 1.00 0.00 H new ATOM 401 N ASN A 27 -3.862 6.573 -13.850 1.00 0.00 N ATOM 402 CA ASN A 27 -4.611 7.411 -12.921 1.00 0.00 C ATOM 403 C ASN A 27 -3.695 7.979 -11.841 1.00 0.00 C ATOM 404 O ASN A 27 -3.479 7.371 -10.792 1.00 0.00 O ATOM 405 CB ASN A 27 -5.742 6.609 -12.275 1.00 0.00 C ATOM 406 CG ASN A 27 -6.698 6.030 -13.300 1.00 0.00 C ATOM 407 OD1 ASN A 27 -7.443 6.761 -13.953 1.00 0.00 O ATOM 408 ND2 ASN A 27 -6.681 4.710 -13.446 1.00 0.00 N ATOM 0 H ASN A 27 -3.280 5.864 -13.404 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.039 8.241 -13.484 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.317 5.800 -11.681 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.294 7.252 -11.589 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.302 4.263 -14.121 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.047 4.143 -12.883 1.00 0.00 H new ATOM 415 N PRO A 28 -3.142 9.173 -12.101 1.00 0.00 N ATOM 416 CA PRO A 28 -2.241 9.850 -11.163 1.00 0.00 C ATOM 417 C PRO A 28 -2.968 10.347 -9.918 1.00 0.00 C ATOM 418 O PRO A 28 -2.350 10.582 -8.880 1.00 0.00 O ATOM 419 CB PRO A 28 -1.704 11.030 -11.976 1.00 0.00 C ATOM 420 CG PRO A 28 -2.754 11.293 -13.001 1.00 0.00 C ATOM 421 CD PRO A 28 -3.355 9.955 -13.330 1.00 0.00 C ATOM 0 HA PRO A 28 -1.464 9.183 -10.791 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.539 11.903 -11.345 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.748 10.788 -12.441 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.511 11.977 -12.618 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.325 11.757 -13.889 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.414 10.039 -13.574 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.866 9.495 -14.189 1.00 0.00 H new ATOM 429 N MET A 29 -4.283 10.506 -10.030 1.00 0.00 N ATOM 430 CA MET A 29 -5.093 10.974 -8.911 1.00 0.00 C ATOM 431 C MET A 29 -5.568 9.804 -8.057 1.00 0.00 C ATOM 432 O MET A 29 -6.466 9.952 -7.227 1.00 0.00 O ATOM 433 CB MET A 29 -6.296 11.769 -9.423 1.00 0.00 C ATOM 434 CG MET A 29 -5.916 13.059 -10.132 1.00 0.00 C ATOM 435 SD MET A 29 -7.146 13.573 -11.346 1.00 0.00 S ATOM 436 CE MET A 29 -6.095 14.005 -12.730 1.00 0.00 C ATOM 0 H MET A 29 -4.810 10.318 -10.883 1.00 0.00 H new ATOM 0 HA MET A 29 -4.474 11.624 -8.293 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.870 11.144 -10.107 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.949 12.005 -8.583 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.787 13.850 -9.394 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.955 12.927 -10.628 1.00 0.00 H new ATOM 0 HE1 MET A 29 -6.711 14.343 -13.563 1.00 0.00 H new ATOM 0 HE2 MET A 29 -5.414 14.803 -12.435 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.519 13.132 -13.036 1.00 0.00 H new ATOM 446 N PHE A 30 -4.962 8.640 -8.265 1.00 0.00 N ATOM 447 CA PHE A 30 -5.324 7.444 -7.514 1.00 0.00 C ATOM 448 C PHE A 30 -4.079 6.713 -7.020 1.00 0.00 C ATOM 449 O PHE A 30 -3.190 6.379 -7.805 1.00 0.00 O ATOM 450 CB PHE A 30 -6.168 6.507 -8.382 1.00 0.00 C ATOM 451 CG PHE A 30 -7.618 6.894 -8.446 1.00 0.00 C ATOM 452 CD1 PHE A 30 -8.010 8.060 -9.083 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.588 6.090 -7.870 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.344 8.418 -9.143 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.924 6.443 -7.927 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.302 7.608 -8.565 1.00 0.00 C ATOM 0 H PHE A 30 -4.217 8.500 -8.948 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.910 7.753 -6.648 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.759 6.493 -9.392 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.088 5.492 -7.992 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.265 8.696 -9.538 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.298 5.177 -7.371 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.637 9.330 -9.641 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.671 5.808 -7.473 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.345 7.885 -8.612 1.00 0.00 H new ATOM 466 N ILE A 31 -4.022 6.470 -5.715 1.00 0.00 N ATOM 467 CA ILE A 31 -2.886 5.779 -5.116 1.00 0.00 C ATOM 468 C ILE A 31 -3.338 4.539 -4.352 1.00 0.00 C ATOM 469 O ILE A 31 -4.322 4.577 -3.614 1.00 0.00 O ATOM 470 CB ILE A 31 -2.106 6.702 -4.161 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.478 7.861 -4.936 1.00 0.00 C ATOM 472 CG2 ILE A 31 -1.038 5.913 -3.418 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.199 9.078 -4.082 1.00 0.00 C ATOM 0 H ILE A 31 -4.748 6.741 -5.052 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.231 5.480 -5.934 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.801 7.114 -3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.545 7.522 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.143 8.144 -5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.495 6.578 -2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.509 5.119 -2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.344 5.476 -4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.754 9.860 -4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.132 9.442 -3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.510 8.810 -3.281 1.00 0.00 H new ATOM 485 N ARG A 32 -2.611 3.442 -4.534 1.00 0.00 N ATOM 486 CA ARG A 32 -2.936 2.190 -3.861 1.00 0.00 C ATOM 487 C ARG A 32 -1.688 1.563 -3.246 1.00 0.00 C ATOM 488 O ARG A 32 -0.591 2.113 -3.345 1.00 0.00 O ATOM 489 CB ARG A 32 -3.580 1.210 -4.844 1.00 0.00 C ATOM 490 CG ARG A 32 -4.917 1.685 -5.389 1.00 0.00 C ATOM 491 CD ARG A 32 -5.774 0.519 -5.856 1.00 0.00 C ATOM 492 NE ARG A 32 -7.159 0.918 -6.093 1.00 0.00 N ATOM 493 CZ ARG A 32 -8.175 0.063 -6.122 1.00 0.00 C ATOM 494 NH1 ARG A 32 -7.963 -1.232 -5.929 1.00 0.00 N ATOM 495 NH2 ARG A 32 -9.407 0.502 -6.344 1.00 0.00 N ATOM 0 H ARG A 32 -1.793 3.394 -5.142 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.643 2.410 -3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.897 1.042 -5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.720 0.250 -4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.448 2.242 -4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.750 2.371 -6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.354 0.105 -6.773 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.748 -0.273 -5.107 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.357 1.907 -6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.017 -1.574 -5.758 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.746 -1.886 -5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.575 1.497 -6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.186 -0.156 -6.366 1.00 0.00 H new ATOM 509 N VAL A 33 -1.864 0.409 -2.610 1.00 0.00 N ATOM 510 CA VAL A 33 -0.752 -0.293 -1.979 1.00 0.00 C ATOM 511 C VAL A 33 -0.013 -1.168 -2.985 1.00 0.00 C ATOM 512 O VAL A 33 -0.619 -1.733 -3.895 1.00 0.00 O ATOM 513 CB VAL A 33 -1.235 -1.171 -0.809 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.085 -1.995 -0.250 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.863 -0.311 0.277 1.00 0.00 C ATOM 0 H VAL A 33 -2.765 -0.059 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.073 0.469 -1.596 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.995 -1.858 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.445 -2.609 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.316 -2.639 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.699 -1.329 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.199 -0.947 1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.126 0.401 0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.715 0.230 -0.135 1.00 0.00 H new ATOM 525 N ALA A 34 1.300 -1.276 -2.814 1.00 0.00 N ATOM 526 CA ALA A 34 2.123 -2.085 -3.706 1.00 0.00 C ATOM 527 C ALA A 34 3.034 -3.018 -2.916 1.00 0.00 C ATOM 528 O ALA A 34 3.305 -2.788 -1.737 1.00 0.00 O ATOM 529 CB ALA A 34 2.946 -1.190 -4.621 1.00 0.00 C ATOM 0 H ALA A 34 1.817 -0.814 -2.066 1.00 0.00 H new ATOM 0 HA ALA A 34 1.460 -2.698 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.555 -1.807 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.279 -0.569 -5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.594 -0.552 -4.020 1.00 0.00 H new ATOM 535 N THR A 35 3.505 -4.074 -3.573 1.00 0.00 N ATOM 536 CA THR A 35 4.384 -5.044 -2.932 1.00 0.00 C ATOM 537 C THR A 35 5.660 -5.247 -3.739 1.00 0.00 C ATOM 538 O THR A 35 5.638 -5.847 -4.814 1.00 0.00 O ATOM 539 CB THR A 35 3.683 -6.403 -2.750 1.00 0.00 C ATOM 540 OG1 THR A 35 2.583 -6.270 -1.843 1.00 0.00 O ATOM 541 CG2 THR A 35 4.657 -7.448 -2.224 1.00 0.00 C ATOM 0 H THR A 35 3.292 -4.279 -4.549 1.00 0.00 H new ATOM 0 HA THR A 35 4.638 -4.641 -1.952 1.00 0.00 H new ATOM 0 HB THR A 35 3.314 -6.729 -3.722 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.142 -7.138 -1.734 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.139 -8.400 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.478 -7.568 -2.931 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.052 -7.125 -1.261 1.00 0.00 H new ATOM 549 N VAL A 36 6.773 -4.743 -3.216 1.00 0.00 N ATOM 550 CA VAL A 36 8.061 -4.871 -3.888 1.00 0.00 C ATOM 551 C VAL A 36 8.430 -6.336 -4.093 1.00 0.00 C ATOM 552 O VAL A 36 8.819 -7.026 -3.152 1.00 0.00 O ATOM 553 CB VAL A 36 9.181 -4.177 -3.091 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.479 -4.173 -3.885 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.771 -2.760 -2.718 1.00 0.00 C ATOM 0 H VAL A 36 6.809 -4.242 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 36 7.962 -4.385 -4.859 1.00 0.00 H new ATOM 0 HB VAL A 36 9.348 -4.737 -2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.258 -3.678 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.780 -5.199 -4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.330 -3.638 -4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.575 -2.285 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.575 -2.187 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.869 -2.791 -2.107 1.00 0.00 H new ATOM 565 N ALA A 37 8.306 -6.803 -5.331 1.00 0.00 N ATOM 566 CA ALA A 37 8.630 -8.186 -5.661 1.00 0.00 C ATOM 567 C ALA A 37 10.130 -8.364 -5.868 1.00 0.00 C ATOM 568 O ALA A 37 10.735 -9.291 -5.329 1.00 0.00 O ATOM 569 CB ALA A 37 7.868 -8.624 -6.903 1.00 0.00 C ATOM 0 H ALA A 37 7.984 -6.245 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 37 8.329 -8.814 -4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.119 -9.658 -7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.797 -8.543 -6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.142 -7.984 -7.742 1.00 0.00 H new ATOM 575 N ASP A 38 10.724 -7.472 -6.653 1.00 0.00 N ATOM 576 CA ASP A 38 12.154 -7.531 -6.931 1.00 0.00 C ATOM 577 C ASP A 38 12.755 -6.130 -6.991 1.00 0.00 C ATOM 578 O ASP A 38 12.178 -5.220 -7.588 1.00 0.00 O ATOM 579 CB ASP A 38 12.410 -8.265 -8.249 1.00 0.00 C ATOM 580 CG ASP A 38 13.764 -8.946 -8.279 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.788 -8.231 -8.279 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.799 -10.194 -8.303 1.00 0.00 O ATOM 0 H ASP A 38 10.237 -6.700 -7.108 1.00 0.00 H new ATOM 0 HA ASP A 38 12.634 -8.079 -6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.629 -9.009 -8.405 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.345 -7.556 -9.075 1.00 0.00 H new ATOM 587 N THR A 39 13.916 -5.962 -6.366 1.00 0.00 N ATOM 588 CA THR A 39 14.594 -4.672 -6.346 1.00 0.00 C ATOM 589 C THR A 39 15.827 -4.684 -7.242 1.00 0.00 C ATOM 590 O THR A 39 16.818 -5.349 -6.941 1.00 0.00 O ATOM 591 CB THR A 39 15.015 -4.281 -4.917 1.00 0.00 C ATOM 592 OG1 THR A 39 15.841 -5.306 -4.353 1.00 0.00 O ATOM 593 CG2 THR A 39 13.796 -4.062 -4.034 1.00 0.00 C ATOM 0 H THR A 39 14.407 -6.704 -5.867 1.00 0.00 H new ATOM 0 HA THR A 39 13.883 -3.936 -6.722 1.00 0.00 H new ATOM 0 HB THR A 39 15.577 -3.349 -4.970 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.385 -5.713 -5.059 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.119 -3.787 -3.030 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.184 -3.262 -4.450 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.210 -4.980 -3.988 1.00 0.00 H new ATOM 601 N ASP A 40 15.759 -3.945 -8.344 1.00 0.00 N ATOM 602 CA ASP A 40 16.871 -3.870 -9.284 1.00 0.00 C ATOM 603 C ASP A 40 17.921 -2.872 -8.804 1.00 0.00 C ATOM 604 O ASP A 40 17.810 -2.316 -7.712 1.00 0.00 O ATOM 605 CB ASP A 40 16.368 -3.472 -10.672 1.00 0.00 C ATOM 606 CG ASP A 40 17.223 -4.046 -11.785 1.00 0.00 C ATOM 607 OD1 ASP A 40 18.297 -4.606 -11.479 1.00 0.00 O ATOM 608 OD2 ASP A 40 16.818 -3.936 -12.961 1.00 0.00 O ATOM 0 H ASP A 40 14.945 -3.389 -8.608 1.00 0.00 H new ATOM 0 HA ASP A 40 17.332 -4.856 -9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.340 -3.814 -10.794 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.354 -2.385 -10.752 1.00 0.00 H new ATOM 613 N ASP A 41 18.939 -2.651 -9.628 1.00 0.00 N ATOM 614 CA ASP A 41 20.009 -1.720 -9.288 1.00 0.00 C ATOM 615 C ASP A 41 19.440 -0.378 -8.839 1.00 0.00 C ATOM 616 O ASP A 41 19.721 0.088 -7.734 1.00 0.00 O ATOM 617 CB ASP A 41 20.938 -1.519 -10.487 1.00 0.00 C ATOM 618 CG ASP A 41 21.937 -2.649 -10.642 1.00 0.00 C ATOM 619 OD1 ASP A 41 22.946 -2.654 -9.907 1.00 0.00 O ATOM 620 OD2 ASP A 41 21.709 -3.528 -11.500 1.00 0.00 O ATOM 0 H ASP A 41 19.046 -3.103 -10.536 1.00 0.00 H new ATOM 0 HA ASP A 41 20.580 -2.146 -8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.341 -1.438 -11.396 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.474 -0.577 -10.373 1.00 0.00 H new ATOM 625 N HIS A 42 18.639 0.238 -9.702 1.00 0.00 N ATOM 626 CA HIS A 42 18.031 1.527 -9.394 1.00 0.00 C ATOM 627 C HIS A 42 16.531 1.501 -9.674 1.00 0.00 C ATOM 628 O HIS A 42 15.929 2.530 -9.982 1.00 0.00 O ATOM 629 CB HIS A 42 18.694 2.637 -10.211 1.00 0.00 C ATOM 630 CG HIS A 42 20.148 2.397 -10.477 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.155 3.071 -9.818 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.763 1.549 -11.334 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.326 2.650 -10.261 1.00 0.00 C ATOM 634 NE2 HIS A 42 22.117 1.726 -11.181 1.00 0.00 N ATOM 0 H HIS A 42 18.396 -0.135 -10.620 1.00 0.00 H new ATOM 0 HA HIS A 42 18.182 1.727 -8.333 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.171 2.739 -11.162 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.581 3.583 -9.682 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.280 0.861 -12.012 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.291 3.002 -9.927 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.842 1.225 -11.694 1.00 0.00 H new ATOM 643 N ARG A 43 15.935 0.318 -9.565 1.00 0.00 N ATOM 644 CA ARG A 43 14.506 0.158 -9.808 1.00 0.00 C ATOM 645 C ARG A 43 13.912 -0.900 -8.882 1.00 0.00 C ATOM 646 O ARG A 43 14.640 -1.633 -8.213 1.00 0.00 O ATOM 647 CB ARG A 43 14.255 -0.227 -11.267 1.00 0.00 C ATOM 648 CG ARG A 43 14.966 0.672 -12.265 1.00 0.00 C ATOM 649 CD ARG A 43 14.319 0.601 -13.639 1.00 0.00 C ATOM 650 NE ARG A 43 14.907 -0.449 -14.467 1.00 0.00 N ATOM 651 CZ ARG A 43 16.054 -0.313 -15.121 1.00 0.00 C ATOM 652 NH1 ARG A 43 16.734 0.822 -15.045 1.00 0.00 N ATOM 653 NH2 ARG A 43 16.524 -1.315 -15.854 1.00 0.00 N ATOM 0 H ARG A 43 16.419 -0.543 -9.310 1.00 0.00 H new ATOM 0 HA ARG A 43 14.019 1.111 -9.602 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.578 -1.256 -11.423 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.183 -0.197 -11.463 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.948 1.701 -11.906 1.00 0.00 H new ATOM 0 HG3 ARG A 43 16.013 0.378 -12.339 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.250 0.419 -13.527 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.428 1.562 -14.141 1.00 0.00 H new ATOM 0 HE ARG A 43 14.409 -1.335 -14.547 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.376 1.594 -14.483 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.615 0.923 -15.549 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.004 -2.190 -15.915 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.405 -1.210 -16.356 1.00 0.00 H new ATOM 667 N VAL A 44 12.585 -0.973 -8.849 1.00 0.00 N ATOM 668 CA VAL A 44 11.894 -1.941 -8.006 1.00 0.00 C ATOM 669 C VAL A 44 10.529 -2.297 -8.585 1.00 0.00 C ATOM 670 O VAL A 44 9.679 -1.429 -8.781 1.00 0.00 O ATOM 671 CB VAL A 44 11.707 -1.406 -6.574 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.057 -1.150 -5.920 1.00 0.00 C ATOM 673 CG2 VAL A 44 10.862 -0.142 -6.583 1.00 0.00 C ATOM 0 H VAL A 44 11.967 -0.373 -9.396 1.00 0.00 H new ATOM 0 HA VAL A 44 12.517 -2.835 -7.974 1.00 0.00 H new ATOM 0 HB VAL A 44 11.183 -2.161 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.906 -0.772 -4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.624 -2.080 -5.879 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.610 -0.414 -6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.740 0.222 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.356 0.622 -7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.883 -0.362 -7.009 1.00 0.00 H new ATOM 683 N LYS A 45 10.326 -3.582 -8.858 1.00 0.00 N ATOM 684 CA LYS A 45 9.064 -4.056 -9.413 1.00 0.00 C ATOM 685 C LYS A 45 7.941 -3.944 -8.387 1.00 0.00 C ATOM 686 O LYS A 45 7.900 -4.696 -7.413 1.00 0.00 O ATOM 687 CB LYS A 45 9.201 -5.508 -9.878 1.00 0.00 C ATOM 688 CG LYS A 45 8.104 -5.947 -10.833 1.00 0.00 C ATOM 689 CD LYS A 45 8.504 -7.191 -11.607 1.00 0.00 C ATOM 690 CE LYS A 45 7.737 -7.304 -12.916 1.00 0.00 C ATOM 691 NZ LYS A 45 8.115 -8.527 -13.677 1.00 0.00 N ATOM 0 H LYS A 45 11.020 -4.314 -8.704 1.00 0.00 H new ATOM 0 HA LYS A 45 8.814 -3.428 -10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.168 -5.635 -10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.195 -6.162 -9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.190 -6.144 -10.273 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.882 -5.139 -11.530 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.574 -7.165 -11.812 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.318 -8.075 -10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.667 -7.321 -12.709 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.930 -6.422 -13.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.571 -8.567 -14.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.131 -8.499 -13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.908 -9.370 -13.104 1.00 0.00 H new ATOM 705 N VAL A 46 7.031 -3.002 -8.612 1.00 0.00 N ATOM 706 CA VAL A 46 5.906 -2.794 -7.708 1.00 0.00 C ATOM 707 C VAL A 46 4.665 -3.530 -8.197 1.00 0.00 C ATOM 708 O VAL A 46 4.123 -3.220 -9.258 1.00 0.00 O ATOM 709 CB VAL A 46 5.576 -1.297 -7.558 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.677 -0.581 -6.790 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.366 -0.659 -8.923 1.00 0.00 C ATOM 0 H VAL A 46 7.051 -2.371 -9.413 1.00 0.00 H new ATOM 0 HA VAL A 46 6.202 -3.192 -6.737 1.00 0.00 H new ATOM 0 HB VAL A 46 4.650 -1.202 -6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.426 0.475 -6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.775 -1.022 -5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.620 -0.683 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.134 0.399 -8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.274 -0.764 -9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.540 -1.154 -9.433 1.00 0.00 H new ATOM 721 N HIS A 47 4.217 -4.508 -7.415 1.00 0.00 N ATOM 722 CA HIS A 47 3.037 -5.290 -7.768 1.00 0.00 C ATOM 723 C HIS A 47 1.826 -4.843 -6.954 1.00 0.00 C ATOM 724 O HIS A 47 1.906 -4.691 -5.735 1.00 0.00 O ATOM 725 CB HIS A 47 3.298 -6.779 -7.539 1.00 0.00 C ATOM 726 CG HIS A 47 2.048 -7.598 -7.440 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.704 -8.561 -8.364 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.059 -7.594 -6.516 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.556 -9.113 -8.014 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.144 -8.544 -6.896 1.00 0.00 N ATOM 0 H HIS A 47 4.653 -4.778 -6.533 1.00 0.00 H new ATOM 0 HA HIS A 47 2.825 -5.124 -8.824 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.910 -7.162 -8.356 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.876 -6.901 -6.623 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.250 -8.809 -9.189 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.001 -6.961 -5.643 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.042 -9.896 -8.551 1.00 0.00 H new ATOM 739 N PHE A 48 0.706 -4.632 -7.637 1.00 0.00 N ATOM 740 CA PHE A 48 -0.521 -4.201 -6.978 1.00 0.00 C ATOM 741 C PHE A 48 -1.320 -5.400 -6.477 1.00 0.00 C ATOM 742 O PHE A 48 -1.981 -6.089 -7.255 1.00 0.00 O ATOM 743 CB PHE A 48 -1.376 -3.370 -7.937 1.00 0.00 C ATOM 744 CG PHE A 48 -0.837 -1.988 -8.176 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.474 -1.801 -8.582 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.643 -0.875 -7.993 1.00 0.00 C ATOM 747 CE1 PHE A 48 0.972 -0.531 -8.802 1.00 0.00 C ATOM 748 CE2 PHE A 48 -1.150 0.397 -8.212 1.00 0.00 C ATOM 749 CZ PHE A 48 0.159 0.570 -8.616 1.00 0.00 C ATOM 0 H PHE A 48 0.623 -4.752 -8.646 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.246 -3.586 -6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.450 -3.892 -8.891 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.387 -3.293 -7.536 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.115 -2.658 -8.728 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.667 -1.004 -7.676 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.996 -0.399 -9.119 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.788 1.256 -8.067 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.546 1.564 -8.786 1.00 0.00 H new ATOM 759 N ASP A 49 -1.254 -5.644 -5.173 1.00 0.00 N ATOM 760 CA ASP A 49 -1.971 -6.760 -4.566 1.00 0.00 C ATOM 761 C ASP A 49 -3.399 -6.841 -5.097 1.00 0.00 C ATOM 762 O ASP A 49 -4.249 -6.023 -4.747 1.00 0.00 O ATOM 763 CB ASP A 49 -1.987 -6.617 -3.043 1.00 0.00 C ATOM 764 CG ASP A 49 -2.692 -7.772 -2.360 1.00 0.00 C ATOM 765 OD1 ASP A 49 -3.922 -7.902 -2.534 1.00 0.00 O ATOM 766 OD2 ASP A 49 -2.015 -8.545 -1.651 1.00 0.00 O ATOM 0 H ASP A 49 -0.711 -5.084 -4.515 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.451 -7.681 -4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.963 -6.553 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.481 -5.683 -2.774 1.00 0.00 H new ATOM 771 N GLY A 50 -3.655 -7.833 -5.944 1.00 0.00 N ATOM 772 CA GLY A 50 -4.981 -8.002 -6.511 1.00 0.00 C ATOM 773 C GLY A 50 -4.986 -7.876 -8.021 1.00 0.00 C ATOM 774 O GLY A 50 -5.609 -8.680 -8.715 1.00 0.00 O ATOM 0 H GLY A 50 -2.968 -8.523 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.371 -8.980 -6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.653 -7.257 -6.085 1.00 0.00 H new ATOM 778 N TRP A 51 -4.293 -6.864 -8.531 1.00 0.00 N ATOM 779 CA TRP A 51 -4.222 -6.635 -9.970 1.00 0.00 C ATOM 780 C TRP A 51 -3.376 -7.705 -10.651 1.00 0.00 C ATOM 781 O TRP A 51 -2.324 -8.094 -10.143 1.00 0.00 O ATOM 782 CB TRP A 51 -3.643 -5.249 -10.259 1.00 0.00 C ATOM 783 CG TRP A 51 -4.502 -4.130 -9.753 1.00 0.00 C ATOM 784 CD1 TRP A 51 -5.270 -4.132 -8.624 1.00 0.00 C ATOM 785 CD2 TRP A 51 -4.680 -2.846 -10.360 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.916 -2.926 -8.493 1.00 0.00 N ATOM 787 CE2 TRP A 51 -5.570 -2.119 -9.544 1.00 0.00 C ATOM 788 CE3 TRP A 51 -4.174 -2.238 -11.512 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -5.963 -0.818 -9.846 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -4.566 -0.946 -11.810 1.00 0.00 C ATOM 791 CH2 TRP A 51 -5.452 -0.248 -10.980 1.00 0.00 C ATOM 0 H TRP A 51 -3.773 -6.189 -7.970 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.234 -6.689 -10.371 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.655 -5.174 -9.804 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.508 -5.136 -11.335 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -5.357 -4.959 -7.935 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.550 -2.673 -7.736 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -3.489 -2.768 -12.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -6.647 -0.278 -9.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.182 -0.467 -12.698 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.738 0.760 -11.240 1.00 0.00 H new ATOM 841 N TYR A 55 -0.335 -6.088 -14.984 1.00 0.00 N ATOM 842 CA TYR A 55 -0.436 -4.715 -14.504 1.00 0.00 C ATOM 843 C TYR A 55 0.901 -4.231 -13.951 1.00 0.00 C ATOM 844 O TYR A 55 1.374 -3.149 -14.298 1.00 0.00 O ATOM 845 CB TYR A 55 -1.516 -4.608 -13.426 1.00 0.00 C ATOM 846 CG TYR A 55 -2.913 -4.452 -13.981 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.309 -3.272 -14.600 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.839 -5.484 -13.887 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.585 -3.125 -15.109 1.00 0.00 C ATOM 850 CE2 TYR A 55 -5.116 -5.347 -14.394 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.485 -4.166 -15.004 1.00 0.00 C ATOM 852 OH TYR A 55 -6.757 -4.024 -15.509 1.00 0.00 O ATOM 0 HA TYR A 55 -0.710 -4.081 -15.347 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.481 -5.499 -12.799 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.293 -3.757 -12.783 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.607 -2.456 -14.685 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.555 -6.410 -13.409 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.876 -2.201 -15.586 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.822 -6.160 -14.313 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.264 -4.848 -15.355 1.00 0.00 H new ATOM 862 N ASP A 56 1.505 -5.042 -13.089 1.00 0.00 N ATOM 863 CA ASP A 56 2.788 -4.699 -12.488 1.00 0.00 C ATOM 864 C ASP A 56 3.737 -4.112 -13.529 1.00 0.00 C ATOM 865 O ASP A 56 3.577 -4.342 -14.728 1.00 0.00 O ATOM 866 CB ASP A 56 3.420 -5.934 -11.843 1.00 0.00 C ATOM 867 CG ASP A 56 2.400 -6.801 -11.132 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.262 -6.331 -10.924 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.740 -7.952 -10.784 1.00 0.00 O ATOM 0 H ASP A 56 1.127 -5.941 -12.791 1.00 0.00 H new ATOM 0 HA ASP A 56 2.611 -3.947 -11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.923 -6.524 -12.610 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.183 -5.619 -11.132 1.00 0.00 H new ATOM 874 N TYR A 57 4.722 -3.353 -13.063 1.00 0.00 N ATOM 875 CA TYR A 57 5.693 -2.730 -13.953 1.00 0.00 C ATOM 876 C TYR A 57 6.960 -2.346 -13.195 1.00 0.00 C ATOM 877 O TYR A 57 6.948 -2.215 -11.971 1.00 0.00 O ATOM 878 CB TYR A 57 5.088 -1.492 -14.617 1.00 0.00 C ATOM 879 CG TYR A 57 4.310 -0.613 -13.663 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.941 0.020 -12.599 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.945 -0.414 -13.827 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.234 0.823 -11.725 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.230 0.388 -12.959 1.00 0.00 C ATOM 884 CZ TYR A 57 2.879 1.004 -11.909 1.00 0.00 C ATOM 885 OH TYR A 57 2.172 1.804 -11.042 1.00 0.00 O ATOM 0 H TYR A 57 4.869 -3.154 -12.073 1.00 0.00 H new ATOM 0 HA TYR A 57 5.958 -3.454 -14.723 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.888 -0.905 -15.069 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.429 -1.809 -15.425 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.002 -0.118 -12.453 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.434 -0.895 -14.648 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.739 1.306 -10.902 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.169 0.532 -13.101 1.00 0.00 H new ATOM 0 HH TYR A 57 1.718 1.245 -10.378 1.00 0.00 H new ATOM 895 N TRP A 58 8.051 -2.166 -13.931 1.00 0.00 N ATOM 896 CA TRP A 58 9.327 -1.797 -13.329 1.00 0.00 C ATOM 897 C TRP A 58 9.407 -0.291 -13.104 1.00 0.00 C ATOM 898 O TRP A 58 9.579 0.479 -14.049 1.00 0.00 O ATOM 899 CB TRP A 58 10.485 -2.254 -14.217 1.00 0.00 C ATOM 900 CG TRP A 58 10.943 -3.651 -13.924 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.739 -4.759 -14.696 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.679 -4.088 -12.777 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.305 -5.859 -14.097 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.888 -5.474 -12.919 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.184 -3.444 -11.644 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.579 -6.224 -11.971 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.869 -4.190 -10.704 1.00 0.00 C ATOM 908 CH2 TRP A 58 13.063 -5.567 -10.872 1.00 0.00 C ATOM 0 H TRP A 58 8.078 -2.270 -14.945 1.00 0.00 H new ATOM 0 HA TRP A 58 9.402 -2.295 -12.362 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.179 -2.191 -15.261 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.324 -1.570 -14.089 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.211 -4.769 -15.638 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.293 -6.808 -14.470 1.00 0.00 H new ATOM 0 HE3 TRP A 58 12.041 -2.382 -11.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.728 -7.286 -12.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.262 -3.703 -9.824 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.605 -6.121 -10.120 1.00 0.00 H new ATOM 919 N ILE A 59 9.281 0.123 -11.847 1.00 0.00 N ATOM 920 CA ILE A 59 9.340 1.537 -11.500 1.00 0.00 C ATOM 921 C ILE A 59 10.629 1.866 -10.754 1.00 0.00 C ATOM 922 O ILE A 59 11.106 1.076 -9.939 1.00 0.00 O ATOM 923 CB ILE A 59 8.138 1.955 -10.632 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.991 3.478 -10.626 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.299 1.426 -9.215 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.705 3.957 -9.989 1.00 0.00 C ATOM 0 H ILE A 59 9.138 -0.501 -11.053 1.00 0.00 H new ATOM 0 HA ILE A 59 9.312 2.093 -12.437 1.00 0.00 H new ATOM 0 HB ILE A 59 7.232 1.524 -11.058 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.836 3.915 -10.093 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.037 3.844 -11.652 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.442 1.730 -8.614 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.359 0.338 -9.238 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.211 1.831 -8.777 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.668 5.046 -10.019 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.854 3.549 -10.535 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.665 3.621 -8.953 1.00 0.00 H new ATOM 938 N ASP A 60 11.187 3.038 -11.038 1.00 0.00 N ATOM 939 CA ASP A 60 12.420 3.474 -10.392 1.00 0.00 C ATOM 940 C ASP A 60 12.183 3.775 -8.916 1.00 0.00 C ATOM 941 O ASP A 60 11.308 4.567 -8.567 1.00 0.00 O ATOM 942 CB ASP A 60 12.979 4.712 -11.095 1.00 0.00 C ATOM 943 CG ASP A 60 13.493 4.405 -12.488 1.00 0.00 C ATOM 944 OD1 ASP A 60 13.064 3.385 -13.067 1.00 0.00 O ATOM 945 OD2 ASP A 60 14.326 5.183 -12.999 1.00 0.00 O ATOM 0 H ASP A 60 10.805 3.703 -11.711 1.00 0.00 H new ATOM 0 HA ASP A 60 13.146 2.665 -10.467 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.201 5.473 -11.158 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.788 5.132 -10.497 1.00 0.00 H new ATOM 950 N ALA A 61 12.968 3.138 -8.054 1.00 0.00 N ATOM 951 CA ALA A 61 12.844 3.338 -6.615 1.00 0.00 C ATOM 952 C ALA A 61 13.027 4.807 -6.248 1.00 0.00 C ATOM 953 O ALA A 61 12.491 5.277 -5.244 1.00 0.00 O ATOM 954 CB ALA A 61 13.856 2.477 -5.873 1.00 0.00 C ATOM 0 H ALA A 61 13.697 2.479 -8.327 1.00 0.00 H new ATOM 0 HA ALA A 61 11.840 3.038 -6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.752 2.637 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.678 1.426 -6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.864 2.750 -6.184 1.00 0.00 H new ATOM 960 N ASP A 62 13.785 5.527 -7.067 1.00 0.00 N ATOM 961 CA ASP A 62 14.038 6.943 -6.828 1.00 0.00 C ATOM 962 C ASP A 62 12.961 7.805 -7.481 1.00 0.00 C ATOM 963 O ASP A 62 13.016 9.033 -7.424 1.00 0.00 O ATOM 964 CB ASP A 62 15.416 7.335 -7.364 1.00 0.00 C ATOM 965 CG ASP A 62 16.533 6.982 -6.402 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.245 6.800 -5.201 1.00 0.00 O ATOM 967 OD2 ASP A 62 17.695 6.888 -6.850 1.00 0.00 O ATOM 0 H ASP A 62 14.235 5.153 -7.903 1.00 0.00 H new ATOM 0 HA ASP A 62 14.013 7.114 -5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.588 6.833 -8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.435 8.407 -7.560 1.00 0.00 H new ATOM 972 N SER A 63 11.984 7.152 -8.102 1.00 0.00 N ATOM 973 CA SER A 63 10.897 7.858 -8.770 1.00 0.00 C ATOM 974 C SER A 63 10.100 8.695 -7.774 1.00 0.00 C ATOM 975 O SER A 63 9.849 8.286 -6.640 1.00 0.00 O ATOM 976 CB SER A 63 9.971 6.864 -9.474 1.00 0.00 C ATOM 977 OG SER A 63 8.980 7.538 -10.230 1.00 0.00 O ATOM 0 H SER A 63 11.923 6.135 -8.156 1.00 0.00 H new ATOM 0 HA SER A 63 11.333 8.526 -9.513 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.556 6.218 -10.129 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.494 6.220 -8.735 1.00 0.00 H new ATOM 0 HG SER A 63 8.216 7.748 -9.654 1.00 0.00 H new ATOM 983 N PRO A 64 9.691 9.897 -8.206 1.00 0.00 N ATOM 984 CA PRO A 64 8.916 10.818 -7.369 1.00 0.00 C ATOM 985 C PRO A 64 7.497 10.317 -7.117 1.00 0.00 C ATOM 986 O PRO A 64 6.884 10.648 -6.102 1.00 0.00 O ATOM 987 CB PRO A 64 8.889 12.108 -8.192 1.00 0.00 C ATOM 988 CG PRO A 64 9.065 11.662 -9.602 1.00 0.00 C ATOM 989 CD PRO A 64 9.953 10.450 -9.545 1.00 0.00 C ATOM 0 HA PRO A 64 9.356 10.937 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.948 12.642 -8.060 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.686 12.787 -7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.105 11.421 -10.058 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.517 12.449 -10.207 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.707 9.735 -10.330 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.003 10.715 -9.672 1.00 0.00 H new ATOM 997 N ASP A 65 6.983 9.519 -8.045 1.00 0.00 N ATOM 998 CA ASP A 65 5.637 8.972 -7.923 1.00 0.00 C ATOM 999 C ASP A 65 5.571 7.937 -6.803 1.00 0.00 C ATOM 1000 O ASP A 65 4.530 7.759 -6.171 1.00 0.00 O ATOM 1001 CB ASP A 65 5.198 8.340 -9.245 1.00 0.00 C ATOM 1002 CG ASP A 65 5.768 9.062 -10.449 1.00 0.00 C ATOM 1003 OD1 ASP A 65 7.005 9.050 -10.617 1.00 0.00 O ATOM 1004 OD2 ASP A 65 4.977 9.641 -11.224 1.00 0.00 O ATOM 0 H ASP A 65 7.478 9.236 -8.891 1.00 0.00 H new ATOM 0 HA ASP A 65 4.960 9.790 -7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.513 7.297 -9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.110 8.346 -9.303 1.00 0.00 H new ATOM 1009 N ILE A 66 6.688 7.258 -6.566 1.00 0.00 N ATOM 1010 CA ILE A 66 6.756 6.242 -5.524 1.00 0.00 C ATOM 1011 C ILE A 66 6.587 6.861 -4.140 1.00 0.00 C ATOM 1012 O ILE A 66 7.344 7.751 -3.750 1.00 0.00 O ATOM 1013 CB ILE A 66 8.092 5.475 -5.571 1.00 0.00 C ATOM 1014 CG1 ILE A 66 8.103 4.500 -6.750 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.324 4.736 -4.262 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.372 3.682 -6.845 1.00 0.00 C ATOM 0 H ILE A 66 7.558 7.393 -7.081 1.00 0.00 H new ATOM 0 HA ILE A 66 5.939 5.545 -5.710 1.00 0.00 H new ATOM 0 HB ILE A 66 8.902 6.191 -5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.251 3.826 -6.661 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.971 5.060 -7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.271 4.199 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.354 5.452 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.513 4.027 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.310 3.013 -7.703 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.226 4.348 -6.965 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.495 3.095 -5.935 1.00 0.00 H new ATOM 1028 N HIS A 67 5.592 6.382 -3.401 1.00 0.00 N ATOM 1029 CA HIS A 67 5.324 6.887 -2.059 1.00 0.00 C ATOM 1030 C HIS A 67 5.220 5.740 -1.058 1.00 0.00 C ATOM 1031 O HIS A 67 4.711 4.661 -1.364 1.00 0.00 O ATOM 1032 CB HIS A 67 4.035 7.709 -2.048 1.00 0.00 C ATOM 1033 CG HIS A 67 4.000 8.783 -3.090 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.939 9.792 -3.163 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.134 9.003 -4.107 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.650 10.586 -4.179 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.560 10.129 -4.768 1.00 0.00 N ATOM 0 H HIS A 67 4.958 5.645 -3.709 1.00 0.00 H new ATOM 0 HA HIS A 67 6.156 7.527 -1.765 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.187 7.041 -2.198 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.912 8.164 -1.065 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.269 8.405 -4.353 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.210 11.460 -4.477 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.108 10.545 -5.582 1.00 0.00 H new ATOM 1046 N PRO A 68 5.712 5.976 0.167 1.00 0.00 N ATOM 1047 CA PRO A 68 5.686 4.975 1.237 1.00 0.00 C ATOM 1048 C PRO A 68 4.274 4.711 1.749 1.00 0.00 C ATOM 1049 O PRO A 68 3.376 5.535 1.577 1.00 0.00 O ATOM 1050 CB PRO A 68 6.543 5.608 2.336 1.00 0.00 C ATOM 1051 CG PRO A 68 6.450 7.075 2.092 1.00 0.00 C ATOM 1052 CD PRO A 68 6.332 7.239 0.602 1.00 0.00 C ATOM 0 HA PRO A 68 6.051 4.006 0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.172 5.347 3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.575 5.262 2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.586 7.502 2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.331 7.591 2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.717 8.100 0.340 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.306 7.390 0.136 1.00 0.00 H new ATOM 1060 N VAL A 69 4.084 3.556 2.379 1.00 0.00 N ATOM 1061 CA VAL A 69 2.781 3.184 2.918 1.00 0.00 C ATOM 1062 C VAL A 69 2.211 4.294 3.794 1.00 0.00 C ATOM 1063 O VAL A 69 1.002 4.374 4.004 1.00 0.00 O ATOM 1064 CB VAL A 69 2.865 1.885 3.742 1.00 0.00 C ATOM 1065 CG1 VAL A 69 1.651 1.749 4.649 1.00 0.00 C ATOM 1066 CG2 VAL A 69 2.992 0.679 2.824 1.00 0.00 C ATOM 0 H VAL A 69 4.816 2.862 2.529 1.00 0.00 H new ATOM 0 HA VAL A 69 2.120 3.023 2.066 1.00 0.00 H new ATOM 0 HB VAL A 69 3.755 1.930 4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.728 0.826 5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.609 2.598 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.745 1.725 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.050 -0.230 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.122 0.627 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.895 0.774 2.221 1.00 0.00 H new ATOM 1076 N GLY A 70 3.093 5.149 4.304 1.00 0.00 N ATOM 1077 CA GLY A 70 2.658 6.244 5.152 1.00 0.00 C ATOM 1078 C GLY A 70 2.640 7.572 4.421 1.00 0.00 C ATOM 1079 O GLY A 70 3.069 8.591 4.961 1.00 0.00 O ATOM 0 H GLY A 70 4.100 5.103 4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.660 6.029 5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.320 6.317 6.015 1.00 0.00 H new ATOM 1083 N TRP A 71 2.143 7.560 3.189 1.00 0.00 N ATOM 1084 CA TRP A 71 2.071 8.772 2.382 1.00 0.00 C ATOM 1085 C TRP A 71 0.711 9.445 2.529 1.00 0.00 C ATOM 1086 O TRP A 71 0.627 10.645 2.795 1.00 0.00 O ATOM 1087 CB TRP A 71 2.337 8.447 0.911 1.00 0.00 C ATOM 1088 CG TRP A 71 2.258 9.645 0.014 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.280 10.487 -0.321 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.095 10.136 -0.660 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.822 11.471 -1.163 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.485 11.278 -1.387 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.238 9.721 -0.722 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.588 12.007 -2.163 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.127 10.447 -1.493 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.710 11.579 -2.206 1.00 0.00 C ATOM 0 H TRP A 71 1.784 6.724 2.728 1.00 0.00 H new ATOM 0 HA TRP A 71 2.836 9.461 2.739 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.326 7.998 0.819 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.616 7.702 0.575 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.299 10.393 0.025 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.386 12.223 -1.557 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.568 8.849 -0.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.906 12.881 -2.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.160 10.136 -1.547 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.428 12.124 -2.801 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.351 8.667 2.354 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.708 9.188 2.467 1.00 0.00 C ATOM 1109 C CYS A 72 -1.825 10.150 3.645 1.00 0.00 C ATOM 1110 O CYS A 72 -2.537 11.152 3.573 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.706 8.041 2.630 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.456 7.051 4.122 1.00 0.00 S ATOM 0 H CYS A 72 -0.298 7.673 2.133 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.938 9.733 1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.716 8.451 2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.639 7.389 1.759 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.349 6.108 4.172 1.00 0.00 H new ATOM 1118 N SER A 73 -1.121 9.839 4.729 1.00 0.00 N ATOM 1119 CA SER A 73 -1.150 10.673 5.925 1.00 0.00 C ATOM 1120 C SER A 73 -0.332 11.944 5.720 1.00 0.00 C ATOM 1121 O SER A 73 -0.865 13.053 5.758 1.00 0.00 O ATOM 1122 CB SER A 73 -0.613 9.895 7.128 1.00 0.00 C ATOM 1123 OG SER A 73 0.541 9.150 6.779 1.00 0.00 O ATOM 0 H SER A 73 -0.524 9.016 4.804 1.00 0.00 H new ATOM 0 HA SER A 73 -2.185 10.955 6.117 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.373 10.587 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.384 9.223 7.504 1.00 0.00 H new ATOM 0 HG SER A 73 0.866 8.663 7.565 1.00 0.00 H new ATOM 1129 N LYS A 74 0.968 11.775 5.503 1.00 0.00 N ATOM 1130 CA LYS A 74 1.863 12.907 5.291 1.00 0.00 C ATOM 1131 C LYS A 74 1.155 14.025 4.533 1.00 0.00 C ATOM 1132 O LYS A 74 0.982 15.129 5.052 1.00 0.00 O ATOM 1133 CB LYS A 74 3.107 12.462 4.520 1.00 0.00 C ATOM 1134 CG LYS A 74 4.203 11.897 5.408 1.00 0.00 C ATOM 1135 CD LYS A 74 5.061 10.889 4.662 1.00 0.00 C ATOM 1136 CE LYS A 74 5.973 11.570 3.654 1.00 0.00 C ATOM 1137 NZ LYS A 74 5.326 11.701 2.320 1.00 0.00 N ATOM 0 H LYS A 74 1.426 10.864 5.469 1.00 0.00 H new ATOM 0 HA LYS A 74 2.165 13.288 6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.820 11.708 3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.503 13.312 3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.830 12.709 5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.756 11.421 6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.662 10.324 5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.419 10.173 4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.248 12.558 4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.896 10.999 3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.900 11.209 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.376 11.278 2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.248 12.707 2.069 1.00 0.00 H new ATOM 1151 N THR A 75 0.745 13.733 3.302 1.00 0.00 N ATOM 1152 CA THR A 75 0.056 14.713 2.473 1.00 0.00 C ATOM 1153 C THR A 75 -1.391 14.889 2.918 1.00 0.00 C ATOM 1154 O THR A 75 -1.869 16.011 3.080 1.00 0.00 O ATOM 1155 CB THR A 75 0.078 14.307 0.987 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.578 13.046 0.814 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.507 14.216 0.473 1.00 0.00 C ATOM 0 H THR A 75 0.879 12.825 2.858 1.00 0.00 H new ATOM 0 HA THR A 75 0.588 15.657 2.592 1.00 0.00 H new ATOM 0 HB THR A 75 -0.449 15.071 0.416 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.364 12.685 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.498 13.928 -0.578 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.994 15.185 0.579 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.054 13.470 1.049 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.085 13.772 3.117 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.472 13.826 3.542 1.00 0.00 C ATOM 1167 C GLY A 76 -4.432 13.426 2.440 1.00 0.00 C ATOM 1168 O GLY A 76 -5.570 13.896 2.397 1.00 0.00 O ATOM 0 H GLY A 76 -1.712 12.831 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.612 13.167 4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.707 14.837 3.876 1.00 0.00 H new ATOM 1172 N HIS A 77 -3.974 12.557 1.544 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.802 12.095 0.435 1.00 0.00 C ATOM 1174 C HIS A 77 -5.434 10.744 0.755 1.00 0.00 C ATOM 1175 O HIS A 77 -4.850 9.905 1.441 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.968 11.991 -0.842 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.921 13.262 -1.632 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -3.585 14.480 -1.080 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -4.169 13.500 -2.941 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.630 15.412 -2.014 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.981 14.844 -3.154 1.00 0.00 N ATOM 0 H HIS A 77 -3.035 12.159 1.564 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.599 12.822 0.281 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.951 11.698 -0.579 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.376 11.198 -1.469 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.461 12.769 -3.681 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.416 16.461 -1.870 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -4.094 15.325 -4.046 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.657 10.527 0.249 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.395 9.280 0.468 1.00 0.00 C ATOM 1192 C PRO A 78 -6.773 8.101 -0.271 1.00 0.00 C ATOM 1193 O PRO A 78 -6.400 8.214 -1.440 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.786 9.588 -0.091 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.560 10.662 -1.098 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.413 11.483 -0.578 1.00 0.00 C ATOM 0 HA PRO A 78 -7.398 8.987 1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.234 8.705 -0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.464 9.919 0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.325 10.238 -2.074 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.453 11.274 -1.223 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.804 11.882 -1.389 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.761 12.334 0.008 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.664 6.969 0.415 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.087 5.767 -0.177 1.00 0.00 C ATOM 1206 C LEU A 79 -7.180 4.803 -0.627 1.00 0.00 C ATOM 1207 O LEU A 79 -8.222 4.687 0.018 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.161 5.075 0.825 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.331 3.912 0.280 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.345 4.406 -0.767 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.601 3.202 1.410 1.00 0.00 C ATOM 0 H LEU A 79 -6.968 6.858 1.382 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.508 6.064 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.480 5.821 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.766 4.707 1.654 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.006 3.199 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.763 3.565 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.890 4.868 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.675 5.139 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.016 2.377 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.937 3.905 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.327 2.814 2.125 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.933 4.112 -1.735 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.896 3.156 -2.269 1.00 0.00 C ATOM 1225 C GLN A 80 -7.435 1.723 -2.024 1.00 0.00 C ATOM 1226 O GLN A 80 -6.318 1.337 -2.371 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.101 3.390 -3.767 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.572 4.795 -4.105 1.00 0.00 C ATOM 1229 CD GLN A 80 -9.700 5.264 -3.207 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -9.465 5.814 -2.131 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.935 5.050 -3.646 1.00 0.00 N ATOM 0 H GLN A 80 -6.075 4.196 -2.280 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.844 3.306 -1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.164 3.195 -4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.830 2.671 -4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.733 5.486 -4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.903 4.823 -5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.084 4.590 -4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.734 5.345 -3.085 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.313 0.915 -1.413 1.00 0.00 N ATOM 1241 CA PRO A 81 -8.018 -0.489 -1.108 1.00 0.00 C ATOM 1242 C PRO A 81 -7.947 -1.352 -2.363 1.00 0.00 C ATOM 1243 O PRO A 81 -8.621 -1.095 -3.361 1.00 0.00 O ATOM 1244 CB PRO A 81 -9.196 -0.916 -0.230 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.307 -0.003 -0.616 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.662 1.308 -0.972 1.00 0.00 C ATOM 0 HA PRO A 81 -7.047 -0.607 -0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.462 -1.959 -0.404 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.955 -0.821 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.866 -0.405 -1.461 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.014 0.120 0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.209 1.824 -1.762 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.625 1.983 -0.117 1.00 0.00 H new ATOM 1254 N PRO A 82 -7.113 -2.401 -2.315 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.936 -3.324 -3.440 1.00 0.00 C ATOM 1256 C PRO A 82 -8.169 -4.190 -3.678 1.00 0.00 C ATOM 1257 O PRO A 82 -9.171 -4.070 -2.972 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.751 -4.190 -3.006 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.767 -4.135 -1.517 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.279 -2.767 -1.158 1.00 0.00 C ATOM 0 HA PRO A 82 -6.774 -2.795 -4.379 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.856 -5.214 -3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.813 -3.806 -3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.410 -4.913 -1.105 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.769 -4.297 -1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.858 -2.784 -0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.464 -2.059 -1.010 1.00 0.00 H new