USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -156:sc= -0.0882 (180deg=-0.526) USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= -0.216 (180deg=-0.791) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.24 K(o=-0.24,f=-0.92) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -146:sc= 0 (180deg=-1.02) USER MOD Single : A 41 THR OG1 : rot -32:sc= 0.454 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 141:sc= 0.0452 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.48 USER MOD Single : A 65 TYR OH : rot 150:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.63 K(o=-0.63,f=-2.9!) USER MOD Single : A 73 SER OG : rot -110:sc= -1.29 USER MOD Single : A 76 SER OG : rot -150:sc= 1.23 USER MOD Single : A 80 CYS SG : rot -132:sc= -1.74 USER MOD Single : A 81 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.5) USER MOD Single : A 82 THR OG1 : rot -45:sc= 0.495 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 180:sc= -1.57 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.5) USER MOD Single : A 102 GLN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 105 MET CE :methyl -125:sc= -5.94! (180deg=-11.9!) USER MOD Single : A 106 GLN : amide:sc= -1.8 X(o=-1.8,f=-2.2!) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.00093) USER MOD Single : A 143 CYS SG : rot -44:sc= -2.02 USER MOD Single : A 145 ASN : amide:sc= 0.0772 X(o=0.077,f=0) USER MOD Single : A 147 ASN : amide:sc= 0.162 K(o=0.16,f=-4.2!) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 10.851 -5.550 -3.565 1.00 0.00 N ATOM 235 CA THR A 19 9.590 -5.610 -4.294 1.00 0.00 C ATOM 236 C THR A 19 8.585 -6.506 -3.580 1.00 0.00 C ATOM 237 O THR A 19 7.500 -6.062 -3.202 1.00 0.00 O ATOM 238 CB THR A 19 9.794 -6.129 -5.729 1.00 0.00 C ATOM 239 OG1 THR A 19 8.668 -6.917 -6.130 1.00 0.00 O ATOM 240 CG2 THR A 19 11.064 -6.962 -5.828 1.00 0.00 C ATOM 0 HA THR A 19 9.201 -4.593 -4.336 1.00 0.00 H new ATOM 0 HB THR A 19 9.890 -5.269 -6.392 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.805 -7.242 -7.044 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.187 -7.318 -6.851 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.923 -6.351 -5.551 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.993 -7.815 -5.153 1.00 0.00 H new ATOM 248 N LYS A 20 8.951 -7.770 -3.396 1.00 0.00 N ATOM 249 CA LYS A 20 8.083 -8.730 -2.726 1.00 0.00 C ATOM 250 C LYS A 20 7.695 -8.234 -1.336 1.00 0.00 C ATOM 251 O LYS A 20 8.522 -7.684 -0.609 1.00 0.00 O ATOM 252 CB LYS A 20 8.777 -10.089 -2.618 1.00 0.00 C ATOM 253 CG LYS A 20 7.813 -11.258 -2.514 1.00 0.00 C ATOM 254 CD LYS A 20 8.539 -12.552 -2.188 1.00 0.00 C ATOM 255 CE LYS A 20 9.147 -13.179 -3.433 1.00 0.00 C ATOM 256 NZ LYS A 20 8.103 -13.597 -4.410 1.00 0.00 N ATOM 0 H LYS A 20 9.845 -8.154 -3.702 1.00 0.00 H new ATOM 0 HA LYS A 20 7.176 -8.839 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.415 -10.232 -3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.428 -10.087 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.071 -11.052 -1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.273 -11.370 -3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.324 -12.356 -1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.844 -13.254 -1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.822 -12.466 -3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.746 -14.044 -3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.480 -14.351 -5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.270 -13.950 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.830 -12.782 -4.996 1.00 0.00 H new ATOM 270 N PHE A 21 6.432 -8.432 -0.973 1.00 0.00 N ATOM 271 CA PHE A 21 5.934 -8.005 0.329 1.00 0.00 C ATOM 272 C PHE A 21 4.743 -8.855 0.762 1.00 0.00 C ATOM 273 O PHE A 21 3.823 -9.099 -0.020 1.00 0.00 O ATOM 274 CB PHE A 21 5.534 -6.529 0.288 1.00 0.00 C ATOM 275 CG PHE A 21 6.701 -5.596 0.128 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.627 -5.443 1.148 1.00 0.00 C ATOM 277 CD2 PHE A 21 6.871 -4.872 -1.040 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.702 -4.586 1.004 1.00 0.00 C ATOM 279 CE2 PHE A 21 7.944 -4.014 -1.190 1.00 0.00 C ATOM 280 CZ PHE A 21 8.860 -3.870 -0.166 1.00 0.00 C ATOM 0 H PHE A 21 5.734 -8.886 -1.563 1.00 0.00 H new ATOM 0 HA PHE A 21 6.735 -8.136 1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.838 -6.372 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.002 -6.279 1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.507 -6.000 2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.157 -4.979 -1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.417 -4.477 1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.066 -3.457 -2.107 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.698 -3.199 -0.280 1.00 0.00 H new ATOM 290 N LYS A 22 4.766 -9.303 2.012 1.00 0.00 N ATOM 291 CA LYS A 22 3.689 -10.125 2.551 1.00 0.00 C ATOM 292 C LYS A 22 2.605 -9.256 3.182 1.00 0.00 C ATOM 293 O LYS A 22 2.720 -8.844 4.336 1.00 0.00 O ATOM 294 CB LYS A 22 4.238 -11.107 3.588 1.00 0.00 C ATOM 295 CG LYS A 22 5.036 -12.248 2.982 1.00 0.00 C ATOM 296 CD LYS A 22 6.209 -11.736 2.163 1.00 0.00 C ATOM 297 CE LYS A 22 7.369 -12.720 2.175 1.00 0.00 C ATOM 298 NZ LYS A 22 7.893 -12.942 3.551 1.00 0.00 N ATOM 0 H LYS A 22 5.520 -9.111 2.672 1.00 0.00 H new ATOM 0 HA LYS A 22 3.247 -10.686 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.871 -10.565 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.407 -11.520 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.402 -12.899 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.386 -12.852 2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.889 -11.562 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.540 -10.777 2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.043 -13.671 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.170 -12.345 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.908 -13.164 3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.752 -12.082 4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.385 -13.735 3.992 1.00 0.00 H new ATOM 312 N VAL A 23 1.552 -8.982 2.418 1.00 0.00 N ATOM 313 CA VAL A 23 0.447 -8.165 2.903 1.00 0.00 C ATOM 314 C VAL A 23 -0.751 -9.029 3.282 1.00 0.00 C ATOM 315 O VAL A 23 -0.769 -10.233 3.024 1.00 0.00 O ATOM 316 CB VAL A 23 0.008 -7.131 1.849 1.00 0.00 C ATOM 317 CG1 VAL A 23 1.109 -6.108 1.613 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.374 -7.825 0.550 1.00 0.00 C ATOM 0 H VAL A 23 1.442 -9.314 1.460 1.00 0.00 H new ATOM 0 HA VAL A 23 0.807 -7.640 3.788 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.869 -6.604 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.781 -5.386 0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.330 -5.589 2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.007 -6.615 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.682 -7.080 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.483 -8.379 0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.198 -8.514 0.734 1.00 0.00 H new ATOM 328 N THR A 24 -1.752 -8.406 3.896 1.00 0.00 N ATOM 329 CA THR A 24 -2.955 -9.118 4.311 1.00 0.00 C ATOM 330 C THR A 24 -4.183 -8.219 4.223 1.00 0.00 C ATOM 331 O THR A 24 -4.339 -7.287 5.011 1.00 0.00 O ATOM 332 CB THR A 24 -2.823 -9.650 5.750 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.670 -10.492 5.857 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.066 -10.429 6.154 1.00 0.00 C ATOM 0 H THR A 24 -1.754 -7.410 4.117 1.00 0.00 H new ATOM 0 HA THR A 24 -3.076 -9.960 3.630 1.00 0.00 H new ATOM 0 HB THR A 24 -2.713 -8.798 6.421 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.592 -10.825 6.775 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.950 -10.795 7.174 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.938 -9.777 6.099 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.202 -11.274 5.478 1.00 0.00 H new ATOM 342 N ASN A 25 -5.053 -8.506 3.260 1.00 0.00 N ATOM 343 CA ASN A 25 -6.268 -7.722 3.070 1.00 0.00 C ATOM 344 C ASN A 25 -7.182 -7.832 4.288 1.00 0.00 C ATOM 345 O ASN A 25 -7.370 -8.915 4.841 1.00 0.00 O ATOM 346 CB ASN A 25 -7.012 -8.191 1.818 1.00 0.00 C ATOM 347 CG ASN A 25 -8.334 -7.473 1.627 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.398 -8.027 1.903 1.00 0.00 O ATOM 349 ND2 ASN A 25 -8.271 -6.234 1.154 1.00 0.00 N ATOM 0 H ASN A 25 -4.939 -9.275 2.600 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.981 -6.678 2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.383 -8.028 0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.191 -9.264 1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.128 -5.701 1.005 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.366 -5.816 0.939 1.00 0.00 H new ATOM 356 N VAL A 26 -7.747 -6.702 4.700 1.00 0.00 N ATOM 357 CA VAL A 26 -8.642 -6.670 5.851 1.00 0.00 C ATOM 358 C VAL A 26 -9.914 -5.891 5.536 1.00 0.00 C ATOM 359 O VAL A 26 -10.027 -5.267 4.481 1.00 0.00 O ATOM 360 CB VAL A 26 -7.957 -6.039 7.077 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.644 -6.745 7.378 1.00 0.00 C ATOM 362 CG2 VAL A 26 -7.733 -4.551 6.855 1.00 0.00 C ATOM 0 H VAL A 26 -7.601 -5.796 4.254 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.900 -7.704 6.081 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.612 -6.160 7.939 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.175 -6.285 8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.836 -7.798 7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.979 -6.659 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.248 -4.121 7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.098 -4.405 5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.692 -4.059 6.693 1.00 0.00 H new ATOM 372 N ASP A 27 -10.869 -5.931 6.458 1.00 0.00 N ATOM 373 CA ASP A 27 -12.134 -5.228 6.281 1.00 0.00 C ATOM 374 C ASP A 27 -12.071 -3.833 6.895 1.00 0.00 C ATOM 375 O ASP A 27 -11.020 -3.398 7.366 1.00 0.00 O ATOM 376 CB ASP A 27 -13.278 -6.024 6.910 1.00 0.00 C ATOM 377 CG ASP A 27 -13.496 -5.670 8.368 1.00 0.00 C ATOM 378 OD1 ASP A 27 -12.613 -5.983 9.193 1.00 0.00 O ATOM 379 OD2 ASP A 27 -14.551 -5.080 8.684 1.00 0.00 O ATOM 0 H ASP A 27 -10.791 -6.443 7.337 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.318 -5.127 5.211 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.196 -5.838 6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.065 -7.090 6.826 1.00 0.00 H new ATOM 384 N ASP A 28 -13.202 -3.135 6.884 1.00 0.00 N ATOM 385 CA ASP A 28 -13.275 -1.789 7.440 1.00 0.00 C ATOM 386 C ASP A 28 -12.778 -1.769 8.882 1.00 0.00 C ATOM 387 O ASP A 28 -12.132 -0.814 9.312 1.00 0.00 O ATOM 388 CB ASP A 28 -14.710 -1.265 7.374 1.00 0.00 C ATOM 389 CG ASP A 28 -15.714 -2.256 7.930 1.00 0.00 C ATOM 390 OD1 ASP A 28 -15.896 -2.287 9.165 1.00 0.00 O ATOM 391 OD2 ASP A 28 -16.318 -3.001 7.130 1.00 0.00 O ATOM 0 H ASP A 28 -14.080 -3.479 6.496 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.632 -1.141 6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.779 -0.331 7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.963 -1.037 6.339 1.00 0.00 H new ATOM 396 N GLU A 29 -13.086 -2.828 9.624 1.00 0.00 N ATOM 397 CA GLU A 29 -12.671 -2.930 11.018 1.00 0.00 C ATOM 398 C GLU A 29 -11.171 -3.191 11.122 1.00 0.00 C ATOM 399 O GLU A 29 -10.496 -2.651 11.997 1.00 0.00 O ATOM 400 CB GLU A 29 -13.445 -4.046 11.723 1.00 0.00 C ATOM 401 CG GLU A 29 -14.771 -3.592 12.308 1.00 0.00 C ATOM 402 CD GLU A 29 -14.624 -2.398 13.230 1.00 0.00 C ATOM 403 OE1 GLU A 29 -14.380 -2.606 14.437 1.00 0.00 O ATOM 404 OE2 GLU A 29 -14.753 -1.255 12.745 1.00 0.00 O ATOM 0 H GLU A 29 -13.621 -3.627 9.283 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.891 -1.981 11.506 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.628 -4.853 11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.827 -4.457 12.521 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.454 -3.338 11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.223 -4.418 12.858 1.00 0.00 H new ATOM 411 N GLY A 30 -10.657 -4.024 10.223 1.00 0.00 N ATOM 412 CA GLY A 30 -9.242 -4.344 10.231 1.00 0.00 C ATOM 413 C GLY A 30 -8.980 -5.812 10.503 1.00 0.00 C ATOM 414 O GLY A 30 -7.878 -6.190 10.901 1.00 0.00 O ATOM 0 H GLY A 30 -11.196 -4.483 9.489 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.806 -4.073 9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.741 -3.742 10.989 1.00 0.00 H new ATOM 418 N VAL A 31 -9.996 -6.642 10.289 1.00 0.00 N ATOM 419 CA VAL A 31 -9.871 -8.077 10.514 1.00 0.00 C ATOM 420 C VAL A 31 -9.204 -8.763 9.328 1.00 0.00 C ATOM 421 O VAL A 31 -9.507 -8.463 8.174 1.00 0.00 O ATOM 422 CB VAL A 31 -11.245 -8.728 10.764 1.00 0.00 C ATOM 423 CG1 VAL A 31 -11.088 -10.213 11.049 1.00 0.00 C ATOM 424 CG2 VAL A 31 -11.964 -8.030 11.908 1.00 0.00 C ATOM 0 H VAL A 31 -10.915 -6.345 9.960 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.250 -8.205 11.400 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.850 -8.618 9.864 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.069 -10.656 11.223 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.617 -10.700 10.195 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.466 -10.350 11.934 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.933 -8.502 12.071 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.365 -8.108 12.815 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.110 -6.979 11.659 1.00 0.00 H new ATOM 434 N GLU A 32 -8.293 -9.687 9.621 1.00 0.00 N ATOM 435 CA GLU A 32 -7.583 -10.416 8.577 1.00 0.00 C ATOM 436 C GLU A 32 -8.539 -11.301 7.784 1.00 0.00 C ATOM 437 O GLU A 32 -9.187 -12.189 8.339 1.00 0.00 O ATOM 438 CB GLU A 32 -6.469 -11.270 9.188 1.00 0.00 C ATOM 439 CG GLU A 32 -5.404 -10.458 9.906 1.00 0.00 C ATOM 440 CD GLU A 32 -4.604 -11.287 10.892 1.00 0.00 C ATOM 441 OE1 GLU A 32 -3.826 -12.154 10.442 1.00 0.00 O ATOM 442 OE2 GLU A 32 -4.756 -11.070 12.112 1.00 0.00 O ATOM 0 H GLU A 32 -8.030 -9.948 10.571 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.142 -9.687 7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.909 -11.978 9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.997 -11.855 8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.728 -10.022 9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.878 -9.630 10.433 1.00 0.00 H new ATOM 449 N LEU A 33 -8.624 -11.052 6.482 1.00 0.00 N ATOM 450 CA LEU A 33 -9.502 -11.825 5.610 1.00 0.00 C ATOM 451 C LEU A 33 -8.706 -12.842 4.798 1.00 0.00 C ATOM 452 O LEU A 33 -8.960 -14.043 4.868 1.00 0.00 O ATOM 453 CB LEU A 33 -10.269 -10.894 4.670 1.00 0.00 C ATOM 454 CG LEU A 33 -11.113 -9.810 5.341 1.00 0.00 C ATOM 455 CD1 LEU A 33 -11.712 -8.878 4.299 1.00 0.00 C ATOM 456 CD2 LEU A 33 -12.209 -10.437 6.191 1.00 0.00 C ATOM 0 H LEU A 33 -8.095 -10.321 6.006 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.212 -12.364 6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.553 -10.410 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.924 -11.501 4.044 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.465 -9.224 5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.309 -8.113 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.911 -8.402 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.346 -9.450 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.800 -9.651 6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.855 -11.048 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.759 -11.062 6.962 1.00 0.00 H new ATOM 468 N GLY A 34 -7.738 -12.351 4.029 1.00 0.00 N ATOM 469 CA GLY A 34 -6.918 -13.230 3.217 1.00 0.00 C ATOM 470 C GLY A 34 -5.533 -12.667 2.970 1.00 0.00 C ATOM 471 O GLY A 34 -5.383 -11.486 2.654 1.00 0.00 O ATOM 0 H GLY A 34 -7.508 -11.360 3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.831 -14.198 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.412 -13.403 2.261 1.00 0.00 H new ATOM 475 N SER A 35 -4.517 -13.512 3.115 1.00 0.00 N ATOM 476 CA SER A 35 -3.136 -13.090 2.911 1.00 0.00 C ATOM 477 C SER A 35 -2.713 -13.301 1.461 1.00 0.00 C ATOM 478 O SER A 35 -3.174 -14.228 0.796 1.00 0.00 O ATOM 479 CB SER A 35 -2.202 -13.861 3.845 1.00 0.00 C ATOM 480 OG SER A 35 -2.268 -15.254 3.595 1.00 0.00 O ATOM 0 H SER A 35 -4.624 -14.493 3.373 1.00 0.00 H new ATOM 0 HA SER A 35 -3.069 -12.026 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.178 -13.512 3.710 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.473 -13.661 4.882 1.00 0.00 H new ATOM 0 HG SER A 35 -1.661 -15.725 4.203 1.00 0.00 H new ATOM 486 N GLY A 36 -1.830 -12.432 0.976 1.00 0.00 N ATOM 487 CA GLY A 36 -1.358 -12.539 -0.392 1.00 0.00 C ATOM 488 C GLY A 36 -0.001 -11.894 -0.590 1.00 0.00 C ATOM 489 O GLY A 36 0.510 -11.220 0.305 1.00 0.00 O ATOM 0 H GLY A 36 -1.434 -11.656 1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.301 -13.591 -0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.081 -12.070 -1.060 1.00 0.00 H new ATOM 493 N VAL A 37 0.586 -12.101 -1.764 1.00 0.00 N ATOM 494 CA VAL A 37 1.893 -11.535 -2.076 1.00 0.00 C ATOM 495 C VAL A 37 1.757 -10.270 -2.916 1.00 0.00 C ATOM 496 O VAL A 37 1.215 -10.301 -4.020 1.00 0.00 O ATOM 497 CB VAL A 37 2.777 -12.546 -2.830 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.074 -11.890 -3.279 1.00 0.00 C ATOM 499 CG2 VAL A 37 3.057 -13.761 -1.960 1.00 0.00 C ATOM 0 H VAL A 37 0.177 -12.657 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 37 2.366 -11.288 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 37 2.241 -12.880 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.686 -12.619 -3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.849 -11.054 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.618 -11.526 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.683 -14.465 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.573 -13.448 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.116 -14.243 -1.694 1.00 0.00 H new ATOM 509 N MET A 38 2.254 -9.157 -2.384 1.00 0.00 N ATOM 510 CA MET A 38 2.190 -7.881 -3.086 1.00 0.00 C ATOM 511 C MET A 38 3.460 -7.641 -3.895 1.00 0.00 C ATOM 512 O MET A 38 4.569 -7.818 -3.393 1.00 0.00 O ATOM 513 CB MET A 38 1.981 -6.737 -2.091 1.00 0.00 C ATOM 514 CG MET A 38 1.560 -5.431 -2.745 1.00 0.00 C ATOM 515 SD MET A 38 -0.089 -5.518 -3.469 1.00 0.00 S ATOM 516 CE MET A 38 -1.076 -4.815 -2.150 1.00 0.00 C ATOM 0 H MET A 38 2.705 -9.114 -1.470 1.00 0.00 H new ATOM 0 HA MET A 38 1.344 -7.915 -3.773 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.223 -7.031 -1.366 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.906 -6.575 -1.537 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.585 -4.633 -2.003 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.280 -5.169 -3.520 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.051 -5.302 -2.126 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.570 -4.967 -1.196 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.208 -3.747 -2.324 1.00 0.00 H new ATOM 526 N GLU A 39 3.289 -7.237 -5.151 1.00 0.00 N ATOM 527 CA GLU A 39 4.423 -6.975 -6.029 1.00 0.00 C ATOM 528 C GLU A 39 4.308 -5.594 -6.668 1.00 0.00 C ATOM 529 O GLU A 39 3.247 -5.212 -7.163 1.00 0.00 O ATOM 530 CB GLU A 39 4.513 -8.046 -7.117 1.00 0.00 C ATOM 531 CG GLU A 39 5.657 -7.829 -8.093 1.00 0.00 C ATOM 532 CD GLU A 39 5.584 -8.753 -9.293 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.877 -8.409 -10.264 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.232 -9.819 -9.262 1.00 0.00 O ATOM 0 H GLU A 39 2.377 -7.084 -5.582 1.00 0.00 H new ATOM 0 HA GLU A 39 5.330 -7.004 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.629 -9.022 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.574 -8.069 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.646 -6.794 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.604 -7.984 -7.577 1.00 0.00 H new ATOM 541 N LEU A 40 5.408 -4.848 -6.652 1.00 0.00 N ATOM 542 CA LEU A 40 5.432 -3.508 -7.229 1.00 0.00 C ATOM 543 C LEU A 40 6.506 -3.399 -8.307 1.00 0.00 C ATOM 544 O LEU A 40 7.699 -3.339 -8.007 1.00 0.00 O ATOM 545 CB LEU A 40 5.681 -2.466 -6.137 1.00 0.00 C ATOM 546 CG LEU A 40 4.446 -1.986 -5.374 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.152 -2.907 -4.200 1.00 0.00 C ATOM 548 CD2 LEU A 40 4.638 -0.554 -4.896 1.00 0.00 C ATOM 0 H LEU A 40 6.294 -5.148 -6.246 1.00 0.00 H new ATOM 0 HA LEU A 40 4.462 -3.319 -7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.388 -2.883 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.162 -1.600 -6.592 1.00 0.00 H new ATOM 0 HG LEU A 40 3.592 -2.011 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.270 -2.549 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.970 -3.917 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.005 -2.915 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.749 -0.229 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.504 -0.504 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.799 0.098 -5.755 1.00 0.00 H new ATOM 560 N THR A 41 6.075 -3.371 -9.564 1.00 0.00 N ATOM 561 CA THR A 41 6.998 -3.267 -10.687 1.00 0.00 C ATOM 562 C THR A 41 6.943 -1.881 -11.318 1.00 0.00 C ATOM 563 O THR A 41 5.888 -1.249 -11.358 1.00 0.00 O ATOM 564 CB THR A 41 6.691 -4.323 -11.766 1.00 0.00 C ATOM 565 OG1 THR A 41 5.459 -4.006 -12.424 1.00 0.00 O ATOM 566 CG2 THR A 41 6.602 -5.712 -11.154 1.00 0.00 C ATOM 0 H THR A 41 5.091 -3.419 -9.830 1.00 0.00 H new ATOM 0 HA THR A 41 7.998 -3.443 -10.291 1.00 0.00 H new ATOM 0 HB THR A 41 7.503 -4.315 -12.493 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.852 -3.571 -11.790 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.384 -6.440 -11.935 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.551 -5.962 -10.679 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.807 -5.731 -10.409 1.00 0.00 H new ATOM 574 N GLN A 42 8.086 -1.414 -11.809 1.00 0.00 N ATOM 575 CA GLN A 42 8.167 -0.101 -12.439 1.00 0.00 C ATOM 576 C GLN A 42 6.952 0.153 -13.325 1.00 0.00 C ATOM 577 O GLN A 42 6.500 1.290 -13.465 1.00 0.00 O ATOM 578 CB GLN A 42 9.449 0.014 -13.265 1.00 0.00 C ATOM 579 CG GLN A 42 10.718 -0.164 -12.447 1.00 0.00 C ATOM 580 CD GLN A 42 11.912 -0.548 -13.298 1.00 0.00 C ATOM 581 OE1 GLN A 42 12.811 0.261 -13.529 1.00 0.00 O ATOM 582 NE2 GLN A 42 11.928 -1.789 -13.770 1.00 0.00 N ATOM 0 H GLN A 42 8.969 -1.925 -11.783 1.00 0.00 H new ATOM 0 HA GLN A 42 8.183 0.652 -11.651 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.429 -0.735 -14.057 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.473 0.990 -13.749 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.937 0.763 -11.917 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.554 -0.932 -11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.162 -2.427 -13.554 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.706 -2.105 -14.349 1.00 0.00 H new ATOM 591 N SER A 43 6.428 -0.912 -13.923 1.00 0.00 N ATOM 592 CA SER A 43 5.268 -0.804 -14.800 1.00 0.00 C ATOM 593 C SER A 43 4.028 -0.395 -14.011 1.00 0.00 C ATOM 594 O SER A 43 3.575 0.746 -14.096 1.00 0.00 O ATOM 595 CB SER A 43 5.017 -2.133 -15.515 1.00 0.00 C ATOM 596 OG SER A 43 5.839 -2.259 -16.662 1.00 0.00 O ATOM 0 H SER A 43 6.789 -1.860 -13.816 1.00 0.00 H new ATOM 0 HA SER A 43 5.475 -0.034 -15.543 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.212 -2.959 -14.832 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.969 -2.201 -15.806 1.00 0.00 H new ATOM 0 HG SER A 43 5.660 -3.117 -17.100 1.00 0.00 H new ATOM 602 N GLU A 44 3.484 -1.336 -13.245 1.00 0.00 N ATOM 603 CA GLU A 44 2.296 -1.074 -12.443 1.00 0.00 C ATOM 604 C GLU A 44 2.279 -1.950 -11.193 1.00 0.00 C ATOM 605 O GLU A 44 3.195 -2.741 -10.963 1.00 0.00 O ATOM 606 CB GLU A 44 1.031 -1.320 -13.268 1.00 0.00 C ATOM 607 CG GLU A 44 1.025 -2.658 -13.988 1.00 0.00 C ATOM 608 CD GLU A 44 0.001 -2.715 -15.105 1.00 0.00 C ATOM 609 OE1 GLU A 44 -1.154 -3.106 -14.832 1.00 0.00 O ATOM 610 OE2 GLU A 44 0.354 -2.367 -16.251 1.00 0.00 O ATOM 0 H GLU A 44 3.847 -2.286 -13.164 1.00 0.00 H new ATOM 0 HA GLU A 44 2.322 -0.029 -12.134 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.163 -1.266 -12.611 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.925 -0.521 -14.002 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.016 -2.850 -14.399 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.819 -3.452 -13.270 1.00 0.00 H new ATOM 617 N LEU A 45 1.232 -1.802 -10.388 1.00 0.00 N ATOM 618 CA LEU A 45 1.095 -2.579 -9.161 1.00 0.00 C ATOM 619 C LEU A 45 0.459 -3.936 -9.444 1.00 0.00 C ATOM 620 O LEU A 45 -0.532 -4.030 -10.168 1.00 0.00 O ATOM 621 CB LEU A 45 0.254 -1.811 -8.140 1.00 0.00 C ATOM 622 CG LEU A 45 0.605 -2.045 -6.670 1.00 0.00 C ATOM 623 CD1 LEU A 45 -0.160 -1.079 -5.778 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.312 -3.485 -6.274 1.00 0.00 C ATOM 0 H LEU A 45 0.466 -1.151 -10.563 1.00 0.00 H new ATOM 0 HA LEU A 45 2.091 -2.744 -8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.347 -0.746 -8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.793 -2.075 -8.289 1.00 0.00 H new ATOM 0 HG LEU A 45 1.671 -1.863 -6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.103 -1.260 -4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.100 -0.054 -6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.231 -1.229 -5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.568 -3.633 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.747 -3.695 -6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.905 -4.160 -6.891 1.00 0.00 H new ATOM 636 N VAL A 46 1.034 -4.986 -8.865 1.00 0.00 N ATOM 637 CA VAL A 46 0.522 -6.337 -9.052 1.00 0.00 C ATOM 638 C VAL A 46 0.330 -7.042 -7.714 1.00 0.00 C ATOM 639 O VAL A 46 1.187 -6.969 -6.832 1.00 0.00 O ATOM 640 CB VAL A 46 1.465 -7.179 -9.932 1.00 0.00 C ATOM 641 CG1 VAL A 46 0.883 -8.565 -10.165 1.00 0.00 C ATOM 642 CG2 VAL A 46 1.729 -6.474 -11.254 1.00 0.00 C ATOM 0 H VAL A 46 1.855 -4.926 -8.263 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.442 -6.243 -9.552 1.00 0.00 H new ATOM 0 HB VAL A 46 2.415 -7.293 -9.410 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.563 -9.145 -10.789 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.749 -9.069 -9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.081 -8.475 -10.666 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.397 -7.082 -11.864 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.787 -6.328 -11.783 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.192 -5.506 -11.064 1.00 0.00 H new ATOM 652 N LEU A 47 -0.800 -7.725 -7.568 1.00 0.00 N ATOM 653 CA LEU A 47 -1.106 -8.445 -6.336 1.00 0.00 C ATOM 654 C LEU A 47 -1.393 -9.915 -6.621 1.00 0.00 C ATOM 655 O LEU A 47 -2.314 -10.245 -7.369 1.00 0.00 O ATOM 656 CB LEU A 47 -2.305 -7.806 -5.633 1.00 0.00 C ATOM 657 CG LEU A 47 -2.457 -8.124 -4.145 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.861 -7.784 -3.668 1.00 0.00 C ATOM 659 CD2 LEU A 47 -2.141 -9.588 -3.876 1.00 0.00 C ATOM 0 H LEU A 47 -1.520 -7.796 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.235 -8.384 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.234 -6.724 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.213 -8.122 -6.146 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.747 -7.512 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.951 -8.017 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.051 -6.722 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.588 -8.369 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.255 -9.795 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.826 -10.218 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.116 -9.801 -4.180 1.00 0.00 H new ATOM 671 N HIS A 48 -0.599 -10.796 -6.020 1.00 0.00 N ATOM 672 CA HIS A 48 -0.770 -12.232 -6.207 1.00 0.00 C ATOM 673 C HIS A 48 -1.538 -12.845 -5.040 1.00 0.00 C ATOM 674 O HIS A 48 -1.200 -12.623 -3.876 1.00 0.00 O ATOM 675 CB HIS A 48 0.591 -12.914 -6.351 1.00 0.00 C ATOM 676 CG HIS A 48 1.394 -12.410 -7.511 1.00 0.00 C ATOM 677 ND1 HIS A 48 1.087 -12.704 -8.823 1.00 0.00 N ATOM 678 CD2 HIS A 48 2.497 -11.626 -7.550 1.00 0.00 C ATOM 679 CE1 HIS A 48 1.968 -12.124 -9.619 1.00 0.00 C ATOM 680 NE2 HIS A 48 2.833 -11.463 -8.871 1.00 0.00 N ATOM 0 H HIS A 48 0.169 -10.540 -5.399 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.345 -12.388 -7.119 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.161 -12.766 -5.434 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.440 -13.988 -6.463 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.016 -11.207 -6.700 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.979 -12.181 -10.697 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.623 -10.919 -9.219 1.00 0.00 H new ATOM 689 N LEU A 49 -2.573 -13.614 -5.358 1.00 0.00 N ATOM 690 CA LEU A 49 -3.390 -14.259 -4.336 1.00 0.00 C ATOM 691 C LEU A 49 -3.563 -15.745 -4.634 1.00 0.00 C ATOM 692 O LEU A 49 -2.980 -16.270 -5.582 1.00 0.00 O ATOM 693 CB LEU A 49 -4.759 -13.582 -4.249 1.00 0.00 C ATOM 694 CG LEU A 49 -4.753 -12.053 -4.233 1.00 0.00 C ATOM 695 CD1 LEU A 49 -4.818 -11.504 -5.650 1.00 0.00 C ATOM 696 CD2 LEU A 49 -5.911 -11.522 -3.401 1.00 0.00 C ATOM 0 H LEU A 49 -2.867 -13.806 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.879 -14.157 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.360 -13.914 -5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.259 -13.933 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.821 -11.718 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.813 -10.414 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.955 -11.855 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.733 -11.849 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.890 -10.432 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.853 -11.867 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.821 -11.886 -2.378 1.00 0.00 H new ATOM 789 N ALA A 54 -5.166 -12.910 -9.839 1.00 0.00 N ATOM 790 CA ALA A 54 -4.280 -11.793 -9.533 1.00 0.00 C ATOM 791 C ALA A 54 -4.856 -10.479 -10.050 1.00 0.00 C ATOM 792 O ALA A 54 -5.489 -10.439 -11.106 1.00 0.00 O ATOM 793 CB ALA A 54 -2.900 -12.036 -10.126 1.00 0.00 C ATOM 0 HA ALA A 54 -4.190 -11.719 -8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.249 -11.194 -9.890 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.479 -12.949 -9.706 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.982 -12.139 -11.208 1.00 0.00 H new ATOM 799 N VAL A 55 -4.634 -9.405 -9.299 1.00 0.00 N ATOM 800 CA VAL A 55 -5.131 -8.089 -9.682 1.00 0.00 C ATOM 801 C VAL A 55 -3.988 -7.091 -9.827 1.00 0.00 C ATOM 802 O VAL A 55 -3.045 -7.092 -9.036 1.00 0.00 O ATOM 803 CB VAL A 55 -6.142 -7.549 -8.652 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.837 -6.306 -9.187 1.00 0.00 C ATOM 805 CG2 VAL A 55 -7.156 -8.623 -8.288 1.00 0.00 C ATOM 0 H VAL A 55 -4.113 -9.420 -8.422 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.631 -8.207 -10.643 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.601 -7.272 -7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.547 -5.939 -8.446 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.095 -5.534 -9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.367 -6.553 -10.107 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.862 -8.225 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.694 -8.933 -9.183 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.639 -9.482 -7.860 1.00 0.00 H new ATOM 815 N ARG A 56 -4.079 -6.239 -10.843 1.00 0.00 N ATOM 816 CA ARG A 56 -3.052 -5.235 -11.093 1.00 0.00 C ATOM 817 C ARG A 56 -3.658 -3.835 -11.134 1.00 0.00 C ATOM 818 O ARG A 56 -4.758 -3.640 -11.649 1.00 0.00 O ATOM 819 CB ARG A 56 -2.331 -5.529 -12.410 1.00 0.00 C ATOM 820 CG ARG A 56 -1.794 -6.947 -12.508 1.00 0.00 C ATOM 821 CD ARG A 56 -2.842 -7.903 -13.058 1.00 0.00 C ATOM 822 NE ARG A 56 -3.293 -7.511 -14.391 1.00 0.00 N ATOM 823 CZ ARG A 56 -4.206 -8.183 -15.084 1.00 0.00 C ATOM 824 NH1 ARG A 56 -4.762 -9.272 -14.573 1.00 0.00 N ATOM 825 NH2 ARG A 56 -4.564 -7.764 -16.291 1.00 0.00 N ATOM 0 H ARG A 56 -4.854 -6.224 -11.506 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.332 -5.277 -10.275 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.018 -5.352 -13.238 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.505 -4.828 -12.526 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.914 -6.960 -13.151 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.473 -7.285 -11.523 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.429 -8.911 -13.097 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.696 -7.934 -12.381 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.885 -6.677 -14.812 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.489 -9.596 -13.645 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.463 -9.786 -15.107 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.138 -6.926 -16.687 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.265 -8.280 -16.823 1.00 0.00 H new ATOM 839 N TRP A 57 -2.933 -2.866 -10.587 1.00 0.00 N ATOM 840 CA TRP A 57 -3.399 -1.485 -10.560 1.00 0.00 C ATOM 841 C TRP A 57 -2.288 -0.527 -10.974 1.00 0.00 C ATOM 842 O TRP A 57 -1.218 -0.479 -10.367 1.00 0.00 O ATOM 843 CB TRP A 57 -3.907 -1.123 -9.163 1.00 0.00 C ATOM 844 CG TRP A 57 -5.086 -1.940 -8.730 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.378 -1.801 -9.149 1.00 0.00 C ATOM 846 CD2 TRP A 57 -5.081 -3.021 -7.791 1.00 0.00 C ATOM 847 NE1 TRP A 57 -7.177 -2.730 -8.528 1.00 0.00 N ATOM 848 CE2 TRP A 57 -6.406 -3.491 -7.690 1.00 0.00 C ATOM 849 CE3 TRP A 57 -4.088 -3.639 -7.027 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.758 -4.549 -6.856 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -4.440 -4.688 -6.199 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.765 -5.135 -6.119 1.00 0.00 C ATOM 0 H TRP A 57 -2.020 -3.011 -10.156 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.218 -1.391 -11.273 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -3.098 -1.256 -8.444 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.179 -0.068 -9.145 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.722 -1.068 -9.864 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -8.182 -2.836 -8.668 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.063 -3.303 -7.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.779 -4.895 -6.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.680 -5.172 -5.603 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -6.008 -5.958 -5.463 1.00 0.00 H new ATOM 863 N PRO A 58 -2.544 0.256 -12.033 1.00 0.00 N ATOM 864 CA PRO A 58 -1.577 1.228 -12.551 1.00 0.00 C ATOM 865 C PRO A 58 -1.375 2.407 -11.604 1.00 0.00 C ATOM 866 O PRO A 58 -2.324 2.883 -10.980 1.00 0.00 O ATOM 867 CB PRO A 58 -2.213 1.698 -13.862 1.00 0.00 C ATOM 868 CG PRO A 58 -3.674 1.473 -13.675 1.00 0.00 C ATOM 869 CD PRO A 58 -3.797 0.253 -12.805 1.00 0.00 C ATOM 0 HA PRO A 58 -0.586 0.790 -12.675 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.995 2.749 -14.053 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.831 1.133 -14.712 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.145 2.336 -13.205 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.171 1.321 -14.633 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.670 0.310 -12.154 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.901 -0.655 -13.399 1.00 0.00 H new ATOM 877 N TYR A 59 -0.136 2.873 -11.503 1.00 0.00 N ATOM 878 CA TYR A 59 0.190 3.995 -10.631 1.00 0.00 C ATOM 879 C TYR A 59 -0.353 5.302 -11.200 1.00 0.00 C ATOM 880 O TYR A 59 -0.675 6.230 -10.456 1.00 0.00 O ATOM 881 CB TYR A 59 1.704 4.098 -10.442 1.00 0.00 C ATOM 882 CG TYR A 59 2.379 2.764 -10.213 1.00 0.00 C ATOM 883 CD1 TYR A 59 1.948 1.910 -9.206 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.447 2.359 -11.004 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.561 0.690 -8.993 1.00 0.00 C ATOM 886 CE2 TYR A 59 4.065 1.140 -10.799 1.00 0.00 C ATOM 887 CZ TYR A 59 3.618 0.310 -9.793 1.00 0.00 C ATOM 888 OH TYR A 59 4.232 -0.904 -9.585 1.00 0.00 O ATOM 0 H TYR A 59 0.660 2.491 -12.014 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.279 3.818 -9.663 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.140 4.570 -11.323 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.912 4.751 -9.594 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.120 2.204 -8.579 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.800 3.008 -11.792 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.214 0.038 -8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.893 0.839 -11.423 1.00 0.00 H new ATOM 0 HH TYR A 59 4.458 -1.308 -10.449 1.00 0.00 H new ATOM 898 N LEU A 60 -0.452 5.368 -12.523 1.00 0.00 N ATOM 899 CA LEU A 60 -0.957 6.561 -13.193 1.00 0.00 C ATOM 900 C LEU A 60 -2.425 6.797 -12.854 1.00 0.00 C ATOM 901 O LEU A 60 -2.960 7.882 -13.085 1.00 0.00 O ATOM 902 CB LEU A 60 -0.787 6.429 -14.708 1.00 0.00 C ATOM 903 CG LEU A 60 -1.153 5.071 -15.308 1.00 0.00 C ATOM 904 CD1 LEU A 60 -1.684 5.239 -16.724 1.00 0.00 C ATOM 905 CD2 LEU A 60 0.051 4.141 -15.295 1.00 0.00 C ATOM 0 H LEU A 60 -0.189 4.610 -13.153 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.380 7.416 -12.841 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.397 7.193 -15.190 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.252 6.646 -14.957 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.938 4.625 -14.698 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.939 4.262 -17.135 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.573 5.869 -16.707 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.920 5.706 -17.346 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.228 3.179 -15.726 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.857 4.581 -15.882 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.387 3.995 -14.268 1.00 0.00 H new ATOM 917 N CYS A 61 -3.071 5.775 -12.302 1.00 0.00 N ATOM 918 CA CYS A 61 -4.477 5.872 -11.929 1.00 0.00 C ATOM 919 C CYS A 61 -4.632 5.975 -10.415 1.00 0.00 C ATOM 920 O CYS A 61 -5.740 6.140 -9.903 1.00 0.00 O ATOM 921 CB CYS A 61 -5.249 4.659 -12.451 1.00 0.00 C ATOM 922 SG CYS A 61 -5.175 4.454 -14.246 1.00 0.00 S ATOM 0 H CYS A 61 -2.643 4.871 -12.103 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.886 6.776 -12.380 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.856 3.760 -11.977 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.292 4.748 -12.149 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.855 3.401 -14.591 1.00 0.00 H new ATOM 928 N LEU A 62 -3.515 5.875 -9.703 1.00 0.00 N ATOM 929 CA LEU A 62 -3.526 5.955 -8.247 1.00 0.00 C ATOM 930 C LEU A 62 -3.624 7.405 -7.782 1.00 0.00 C ATOM 931 O LEU A 62 -2.642 7.988 -7.324 1.00 0.00 O ATOM 932 CB LEU A 62 -2.265 5.308 -7.671 1.00 0.00 C ATOM 933 CG LEU A 62 -2.181 3.785 -7.784 1.00 0.00 C ATOM 934 CD1 LEU A 62 -0.917 3.269 -7.114 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.414 3.136 -7.172 1.00 0.00 C ATOM 0 H LEU A 62 -2.590 5.738 -10.111 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.402 5.416 -7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.398 5.738 -8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.190 5.579 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.142 3.520 -8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.874 2.184 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.044 3.708 -7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.925 3.545 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.337 2.052 -7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.484 3.409 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.305 3.481 -7.697 1.00 0.00 H new ATOM 947 N ARG A 63 -4.817 7.979 -7.901 1.00 0.00 N ATOM 948 CA ARG A 63 -5.043 9.360 -7.493 1.00 0.00 C ATOM 949 C ARG A 63 -4.213 9.706 -6.260 1.00 0.00 C ATOM 950 O ARG A 63 -3.434 10.659 -6.272 1.00 0.00 O ATOM 951 CB ARG A 63 -6.528 9.591 -7.202 1.00 0.00 C ATOM 952 CG ARG A 63 -7.432 9.308 -8.390 1.00 0.00 C ATOM 953 CD ARG A 63 -8.852 9.791 -8.137 1.00 0.00 C ATOM 954 NE ARG A 63 -8.997 11.222 -8.391 1.00 0.00 N ATOM 955 CZ ARG A 63 -8.818 12.155 -7.463 1.00 0.00 C ATOM 956 NH1 ARG A 63 -8.489 11.810 -6.226 1.00 0.00 N ATOM 957 NH2 ARG A 63 -8.968 13.437 -7.771 1.00 0.00 N ATOM 0 H ARG A 63 -5.641 7.509 -8.276 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.734 10.010 -8.312 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.829 8.957 -6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.671 10.624 -6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.032 9.798 -9.278 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.442 8.237 -8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.542 9.238 -8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.130 9.576 -7.105 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.250 11.521 -9.333 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.373 10.826 -5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.352 12.529 -5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.221 13.707 -8.722 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.830 14.152 -7.057 1.00 0.00 H new ATOM 971 N ARG A 64 -4.386 8.925 -5.199 1.00 0.00 N ATOM 972 CA ARG A 64 -3.654 9.150 -3.958 1.00 0.00 C ATOM 973 C ARG A 64 -3.364 7.829 -3.251 1.00 0.00 C ATOM 974 O ARG A 64 -3.824 6.770 -3.679 1.00 0.00 O ATOM 975 CB ARG A 64 -4.448 10.073 -3.032 1.00 0.00 C ATOM 976 CG ARG A 64 -5.858 9.583 -2.746 1.00 0.00 C ATOM 977 CD ARG A 64 -6.805 10.740 -2.470 1.00 0.00 C ATOM 978 NE ARG A 64 -8.203 10.355 -2.636 1.00 0.00 N ATOM 979 CZ ARG A 64 -9.225 11.102 -2.231 1.00 0.00 C ATOM 980 NH1 ARG A 64 -9.004 12.269 -1.641 1.00 0.00 N ATOM 981 NH2 ARG A 64 -10.470 10.683 -2.418 1.00 0.00 N ATOM 0 H ARG A 64 -5.026 8.131 -5.174 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.705 9.626 -4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.911 10.178 -2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.501 11.065 -3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.224 9.007 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.844 8.911 -1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.647 11.103 -1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.574 11.566 -3.143 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.407 9.464 -3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.048 12.595 -1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.790 12.841 -1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.644 9.787 -2.873 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.254 11.257 -2.107 1.00 0.00 H new ATOM 995 N TYR A 65 -2.600 7.900 -2.166 1.00 0.00 N ATOM 996 CA TYR A 65 -2.247 6.710 -1.401 1.00 0.00 C ATOM 997 C TYR A 65 -1.589 7.088 -0.078 1.00 0.00 C ATOM 998 O TYR A 65 -0.932 8.123 0.028 1.00 0.00 O ATOM 999 CB TYR A 65 -1.308 5.816 -2.213 1.00 0.00 C ATOM 1000 CG TYR A 65 -0.167 6.567 -2.861 1.00 0.00 C ATOM 1001 CD1 TYR A 65 -0.353 7.258 -4.052 1.00 0.00 C ATOM 1002 CD2 TYR A 65 1.096 6.585 -2.284 1.00 0.00 C ATOM 1003 CE1 TYR A 65 0.687 7.946 -4.649 1.00 0.00 C ATOM 1004 CE2 TYR A 65 2.141 7.270 -2.872 1.00 0.00 C ATOM 1005 CZ TYR A 65 1.932 7.949 -4.055 1.00 0.00 C ATOM 1006 OH TYR A 65 2.970 8.632 -4.645 1.00 0.00 O ATOM 0 H TYR A 65 -2.214 8.769 -1.797 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.164 6.162 -1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.900 5.044 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.883 5.307 -2.987 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.327 7.258 -4.519 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.264 6.054 -1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.526 8.478 -5.575 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.116 7.274 -2.409 1.00 0.00 H new ATOM 0 HH TYR A 65 3.588 8.948 -3.954 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.771 6.240 0.930 1.00 0.00 N ATOM 1017 CA GLY A 66 -1.189 6.502 2.233 1.00 0.00 C ATOM 1018 C GLY A 66 -0.677 5.242 2.903 1.00 0.00 C ATOM 1019 O GLY A 66 -0.889 4.136 2.405 1.00 0.00 O ATOM 0 H GLY A 66 -2.311 5.377 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.369 7.212 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.935 6.973 2.873 1.00 0.00 H new ATOM 1023 N TYR A 67 0.001 5.408 4.033 1.00 0.00 N ATOM 1024 CA TYR A 67 0.549 4.275 4.769 1.00 0.00 C ATOM 1025 C TYR A 67 0.752 4.628 6.240 1.00 0.00 C ATOM 1026 O TYR A 67 1.376 5.638 6.567 1.00 0.00 O ATOM 1027 CB TYR A 67 1.877 3.833 4.152 1.00 0.00 C ATOM 1028 CG TYR A 67 3.034 4.749 4.482 1.00 0.00 C ATOM 1029 CD1 TYR A 67 2.996 6.097 4.147 1.00 0.00 C ATOM 1030 CD2 TYR A 67 4.165 4.266 5.129 1.00 0.00 C ATOM 1031 CE1 TYR A 67 4.050 6.937 4.446 1.00 0.00 C ATOM 1032 CE2 TYR A 67 5.224 5.100 5.433 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.162 6.434 5.090 1.00 0.00 C ATOM 1034 OH TYR A 67 6.215 7.267 5.390 1.00 0.00 O ATOM 0 H TYR A 67 0.184 6.316 4.459 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.165 3.454 4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.111 2.826 4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.765 3.779 3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.127 6.494 3.644 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.217 3.222 5.399 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.005 7.982 4.177 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.096 4.709 5.937 1.00 0.00 H new ATOM 0 HH TYR A 67 6.917 6.756 5.844 1.00 0.00 H new ATOM 1044 N ASP A 68 0.221 3.789 7.121 1.00 0.00 N ATOM 1045 CA ASP A 68 0.344 4.009 8.558 1.00 0.00 C ATOM 1046 C ASP A 68 1.304 3.001 9.182 1.00 0.00 C ATOM 1047 O ASP A 68 1.906 2.186 8.482 1.00 0.00 O ATOM 1048 CB ASP A 68 -1.026 3.911 9.230 1.00 0.00 C ATOM 1049 CG ASP A 68 -1.854 5.167 9.045 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -1.812 5.747 7.940 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -2.542 5.572 10.005 1.00 0.00 O ATOM 0 H ASP A 68 -0.299 2.949 6.866 1.00 0.00 H new ATOM 0 HA ASP A 68 0.745 5.010 8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.568 3.059 8.820 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.892 3.721 10.295 1.00 0.00 H new ATOM 1056 N SER A 69 1.443 3.063 10.502 1.00 0.00 N ATOM 1057 CA SER A 69 2.334 2.159 11.220 1.00 0.00 C ATOM 1058 C SER A 69 2.338 0.776 10.578 1.00 0.00 C ATOM 1059 O SER A 69 3.298 0.391 9.913 1.00 0.00 O ATOM 1060 CB SER A 69 1.912 2.052 12.687 1.00 0.00 C ATOM 1061 OG SER A 69 2.575 0.978 13.331 1.00 0.00 O ATOM 0 H SER A 69 0.950 3.730 11.096 1.00 0.00 H new ATOM 0 HA SER A 69 3.344 2.567 11.168 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.138 2.985 13.203 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.833 1.907 12.749 1.00 0.00 H new ATOM 0 HG SER A 69 2.290 0.932 14.267 1.00 0.00 H new ATOM 1067 N ASN A 70 1.254 0.033 10.782 1.00 0.00 N ATOM 1068 CA ASN A 70 1.132 -1.309 10.223 1.00 0.00 C ATOM 1069 C ASN A 70 -0.106 -1.418 9.338 1.00 0.00 C ATOM 1070 O ASN A 70 -0.901 -2.349 9.475 1.00 0.00 O ATOM 1071 CB ASN A 70 1.063 -2.347 11.345 1.00 0.00 C ATOM 1072 CG ASN A 70 2.434 -2.701 11.889 1.00 0.00 C ATOM 1073 OD1 ASN A 70 3.454 -2.226 11.390 1.00 0.00 O ATOM 1074 ND2 ASN A 70 2.463 -3.540 12.918 1.00 0.00 N ATOM 0 H ASN A 70 0.449 0.337 11.329 1.00 0.00 H new ATOM 0 HA ASN A 70 2.013 -1.503 9.611 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.442 -1.963 12.154 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.579 -3.250 10.972 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.356 -3.815 13.327 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.592 -3.909 13.300 1.00 0.00 H new ATOM 1081 N LEU A 71 -0.263 -0.462 8.429 1.00 0.00 N ATOM 1082 CA LEU A 71 -1.404 -0.450 7.520 1.00 0.00 C ATOM 1083 C LEU A 71 -1.040 0.220 6.199 1.00 0.00 C ATOM 1084 O LEU A 71 -0.342 1.233 6.176 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.587 0.274 8.164 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.942 0.084 7.482 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.930 0.696 6.089 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.303 -1.392 7.414 1.00 0.00 C ATOM 0 H LEU A 71 0.385 0.315 8.302 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.686 -1.483 7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.673 -0.061 9.198 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.363 1.340 8.192 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.700 0.596 8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.903 0.551 5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.718 1.763 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.161 0.214 5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.270 -1.508 6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.543 -1.927 6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.355 -1.801 8.423 1.00 0.00 H new ATOM 1100 N PHE A 72 -1.521 -0.352 5.099 1.00 0.00 N ATOM 1101 CA PHE A 72 -1.247 0.190 3.774 1.00 0.00 C ATOM 1102 C PHE A 72 -2.523 0.253 2.938 1.00 0.00 C ATOM 1103 O PHE A 72 -2.996 -0.764 2.432 1.00 0.00 O ATOM 1104 CB PHE A 72 -0.196 -0.661 3.058 1.00 0.00 C ATOM 1105 CG PHE A 72 -0.067 -0.348 1.594 1.00 0.00 C ATOM 1106 CD1 PHE A 72 0.203 0.943 1.169 1.00 0.00 C ATOM 1107 CD2 PHE A 72 -0.216 -1.345 0.644 1.00 0.00 C ATOM 1108 CE1 PHE A 72 0.321 1.233 -0.177 1.00 0.00 C ATOM 1109 CE2 PHE A 72 -0.098 -1.061 -0.704 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.172 0.230 -1.114 1.00 0.00 C ATOM 0 H PHE A 72 -2.102 -1.190 5.100 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.862 1.203 3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.770 -0.512 3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.451 -1.714 3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.323 1.731 1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.427 -2.356 0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.530 2.244 -0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.217 -1.847 -1.435 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.266 0.455 -2.166 1.00 0.00 H new ATOM 1120 N SER A 73 -3.074 1.454 2.799 1.00 0.00 N ATOM 1121 CA SER A 73 -4.296 1.650 2.029 1.00 0.00 C ATOM 1122 C SER A 73 -4.057 2.603 0.862 1.00 0.00 C ATOM 1123 O SER A 73 -3.361 3.609 1.000 1.00 0.00 O ATOM 1124 CB SER A 73 -5.408 2.196 2.927 1.00 0.00 C ATOM 1125 OG SER A 73 -6.686 1.837 2.432 1.00 0.00 O ATOM 0 H SER A 73 -2.693 2.306 3.210 1.00 0.00 H new ATOM 0 HA SER A 73 -4.602 0.683 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.285 1.810 3.939 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.330 3.281 2.988 1.00 0.00 H new ATOM 0 HG SER A 73 -7.140 2.635 2.090 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.638 2.278 -0.288 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.488 3.103 -1.481 1.00 0.00 C ATOM 1133 C PHE A 74 -5.776 3.116 -2.299 1.00 0.00 C ATOM 1134 O PHE A 74 -6.561 2.170 -2.254 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.330 2.590 -2.339 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.557 1.212 -2.890 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -4.475 1.000 -3.907 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -2.853 0.127 -2.392 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -4.686 -0.267 -4.415 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -3.060 -1.143 -2.897 1.00 0.00 C ATOM 1141 CZ PHE A 74 -3.977 -1.340 -3.911 1.00 0.00 C ATOM 0 H PHE A 74 -5.217 1.449 -0.419 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.271 4.123 -1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.167 3.281 -3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.419 2.588 -1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.031 1.835 -4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.134 0.276 -1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.405 -0.419 -5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.505 -1.980 -2.499 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.139 -2.331 -4.309 1.00 0.00 H new ATOM 1151 N GLU A 75 -5.985 4.196 -3.046 1.00 0.00 N ATOM 1152 CA GLU A 75 -7.178 4.333 -3.873 1.00 0.00 C ATOM 1153 C GLU A 75 -6.839 4.153 -5.350 1.00 0.00 C ATOM 1154 O GLU A 75 -6.014 4.882 -5.902 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.827 5.700 -3.650 1.00 0.00 C ATOM 1156 CG GLU A 75 -9.318 5.721 -3.940 1.00 0.00 C ATOM 1157 CD GLU A 75 -9.632 5.467 -5.401 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -8.804 5.837 -6.259 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -10.706 4.897 -5.686 1.00 0.00 O ATOM 0 H GLU A 75 -5.344 4.988 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.882 3.554 -3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.662 6.007 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.332 6.436 -4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.814 4.966 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.728 6.688 -3.647 1.00 0.00 H new ATOM 1166 N SER A 76 -7.482 3.178 -5.984 1.00 0.00 N ATOM 1167 CA SER A 76 -7.246 2.899 -7.396 1.00 0.00 C ATOM 1168 C SER A 76 -8.223 3.675 -8.274 1.00 0.00 C ATOM 1169 O SER A 76 -9.351 3.954 -7.869 1.00 0.00 O ATOM 1170 CB SER A 76 -7.378 1.399 -7.670 1.00 0.00 C ATOM 1171 OG SER A 76 -6.273 0.686 -7.143 1.00 0.00 O ATOM 0 H SER A 76 -8.170 2.568 -5.543 1.00 0.00 H new ATOM 0 HA SER A 76 -6.233 3.218 -7.640 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.301 1.025 -7.227 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.447 1.227 -8.744 1.00 0.00 H new ATOM 0 HG SER A 76 -6.106 -0.110 -7.690 1.00 0.00 H new ATOM 1177 N GLY A 77 -7.780 4.022 -9.479 1.00 0.00 N ATOM 1178 CA GLY A 77 -8.627 4.763 -10.395 1.00 0.00 C ATOM 1179 C GLY A 77 -9.952 4.072 -10.648 1.00 0.00 C ATOM 1180 O GLY A 77 -10.314 3.131 -9.941 1.00 0.00 O ATOM 0 H GLY A 77 -6.850 3.803 -9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.811 5.758 -9.990 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.104 4.896 -11.342 1.00 0.00 H new ATOM 1184 N ARG A 78 -10.679 4.541 -11.657 1.00 0.00 N ATOM 1185 CA ARG A 78 -11.974 3.963 -11.998 1.00 0.00 C ATOM 1186 C ARG A 78 -11.857 3.048 -13.214 1.00 0.00 C ATOM 1187 O ARG A 78 -12.590 2.067 -13.337 1.00 0.00 O ATOM 1188 CB ARG A 78 -12.992 5.071 -12.276 1.00 0.00 C ATOM 1189 CG ARG A 78 -12.645 5.930 -13.480 1.00 0.00 C ATOM 1190 CD ARG A 78 -13.226 7.329 -13.353 1.00 0.00 C ATOM 1191 NE ARG A 78 -14.682 7.329 -13.469 1.00 0.00 N ATOM 1192 CZ ARG A 78 -15.422 8.432 -13.434 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -14.846 9.617 -13.287 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -16.742 8.351 -13.546 1.00 0.00 N ATOM 0 H ARG A 78 -10.394 5.319 -12.252 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.315 3.370 -11.150 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.972 4.621 -12.432 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.071 5.709 -11.396 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.562 5.993 -13.583 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.025 5.458 -14.386 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.939 7.755 -12.392 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.801 7.970 -14.125 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.157 6.433 -13.583 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.832 9.684 -13.200 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.417 10.462 -13.261 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -17.189 7.441 -13.659 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -17.309 9.198 -13.519 1.00 0.00 H new ATOM 1208 N ARG A 79 -10.932 3.377 -14.109 1.00 0.00 N ATOM 1209 CA ARG A 79 -10.721 2.586 -15.316 1.00 0.00 C ATOM 1210 C ARG A 79 -9.798 1.404 -15.036 1.00 0.00 C ATOM 1211 O ARG A 79 -8.767 1.240 -15.690 1.00 0.00 O ATOM 1212 CB ARG A 79 -10.129 3.457 -16.425 1.00 0.00 C ATOM 1213 CG ARG A 79 -11.143 4.378 -17.083 1.00 0.00 C ATOM 1214 CD ARG A 79 -11.865 3.684 -18.228 1.00 0.00 C ATOM 1215 NE ARG A 79 -11.072 3.684 -19.455 1.00 0.00 N ATOM 1216 CZ ARG A 79 -10.942 4.743 -20.246 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -11.550 5.881 -19.941 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -10.203 4.665 -21.346 1.00 0.00 N ATOM 0 H ARG A 79 -10.317 4.186 -14.022 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.687 2.202 -15.642 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.320 4.058 -16.010 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.689 2.812 -17.186 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.869 4.710 -16.341 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.638 5.269 -17.456 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.093 2.657 -17.943 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.817 4.182 -18.411 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.592 2.824 -19.719 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.119 5.945 -19.097 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.448 6.693 -20.550 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.734 3.791 -21.585 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.104 5.479 -21.953 1.00 0.00 H new ATOM 1232 N CYS A 80 -10.175 0.584 -14.061 1.00 0.00 N ATOM 1233 CA CYS A 80 -9.380 -0.583 -13.693 1.00 0.00 C ATOM 1234 C CYS A 80 -10.260 -1.823 -13.570 1.00 0.00 C ATOM 1235 O CYS A 80 -11.442 -1.725 -13.242 1.00 0.00 O ATOM 1236 CB CYS A 80 -8.645 -0.331 -12.376 1.00 0.00 C ATOM 1237 SG CYS A 80 -9.519 0.774 -11.242 1.00 0.00 S ATOM 0 H CYS A 80 -11.026 0.705 -13.511 1.00 0.00 H new ATOM 0 HA CYS A 80 -8.647 -0.756 -14.481 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.476 -1.286 -11.878 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.664 0.092 -12.595 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.697 1.678 -10.797 1.00 0.00 H new ATOM 1243 N GLN A 81 -9.675 -2.986 -13.836 1.00 0.00 N ATOM 1244 CA GLN A 81 -10.407 -4.244 -13.757 1.00 0.00 C ATOM 1245 C GLN A 81 -11.412 -4.218 -12.609 1.00 0.00 C ATOM 1246 O GLN A 81 -12.624 -4.214 -12.830 1.00 0.00 O ATOM 1247 CB GLN A 81 -9.437 -5.413 -13.574 1.00 0.00 C ATOM 1248 CG GLN A 81 -10.127 -6.759 -13.428 1.00 0.00 C ATOM 1249 CD GLN A 81 -10.444 -7.099 -11.984 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -11.583 -6.960 -11.538 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -9.435 -7.546 -11.246 1.00 0.00 N ATOM 0 H GLN A 81 -8.697 -3.083 -14.108 1.00 0.00 H new ATOM 0 HA GLN A 81 -10.953 -4.377 -14.691 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.762 -5.451 -14.429 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.824 -5.231 -12.691 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.050 -6.754 -14.007 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.490 -7.537 -13.849 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.507 -7.645 -11.658 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.588 -7.790 -10.267 1.00 0.00 H new ATOM 1260 N THR A 82 -10.901 -4.202 -11.382 1.00 0.00 N ATOM 1261 CA THR A 82 -11.753 -4.178 -10.200 1.00 0.00 C ATOM 1262 C THR A 82 -12.683 -2.970 -10.217 1.00 0.00 C ATOM 1263 O THR A 82 -13.889 -3.100 -10.012 1.00 0.00 O ATOM 1264 CB THR A 82 -10.918 -4.150 -8.906 1.00 0.00 C ATOM 1265 OG1 THR A 82 -10.075 -2.992 -8.892 1.00 0.00 O ATOM 1266 CG2 THR A 82 -10.066 -5.405 -8.785 1.00 0.00 C ATOM 0 H THR A 82 -9.901 -4.205 -11.181 1.00 0.00 H new ATOM 0 HA THR A 82 -12.347 -5.091 -10.221 1.00 0.00 H new ATOM 0 HB THR A 82 -11.602 -4.111 -8.059 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.646 -2.889 -9.767 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.485 -5.363 -7.864 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.712 -6.283 -8.767 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.390 -5.469 -9.638 1.00 0.00 H new ATOM 1274 N GLY A 83 -12.114 -1.794 -10.464 1.00 0.00 N ATOM 1275 CA GLY A 83 -12.908 -0.580 -10.503 1.00 0.00 C ATOM 1276 C GLY A 83 -12.651 0.321 -9.311 1.00 0.00 C ATOM 1277 O GLY A 83 -12.073 -0.111 -8.314 1.00 0.00 O ATOM 0 H GLY A 83 -11.118 -1.660 -10.638 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.687 -0.035 -11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.965 -0.842 -10.535 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.078 1.575 -9.416 1.00 0.00 N ATOM 1282 CA GLN A 84 -12.888 2.538 -8.338 1.00 0.00 C ATOM 1283 C GLN A 84 -13.189 1.906 -6.983 1.00 0.00 C ATOM 1284 O GLN A 84 -14.214 1.250 -6.807 1.00 0.00 O ATOM 1285 CB GLN A 84 -13.782 3.760 -8.554 1.00 0.00 C ATOM 1286 CG GLN A 84 -13.443 4.931 -7.645 1.00 0.00 C ATOM 1287 CD GLN A 84 -14.560 5.954 -7.570 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -15.263 6.195 -8.552 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -14.728 6.562 -6.402 1.00 0.00 N ATOM 0 H GLN A 84 -13.557 1.948 -10.236 1.00 0.00 H new ATOM 0 HA GLN A 84 -11.845 2.854 -8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.699 4.081 -9.592 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.821 3.473 -8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.229 4.558 -6.643 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -12.536 5.415 -8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -14.122 6.331 -5.615 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -15.463 7.260 -6.292 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.287 2.109 -6.027 1.00 0.00 N ATOM 1299 CA GLY A 85 -12.474 1.552 -4.701 1.00 0.00 C ATOM 1300 C GLY A 85 -11.256 1.735 -3.818 1.00 0.00 C ATOM 1301 O GLY A 85 -10.190 2.129 -4.293 1.00 0.00 O ATOM 0 H GLY A 85 -11.430 2.649 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.335 2.026 -4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.701 0.489 -4.785 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.413 1.450 -2.529 1.00 0.00 N ATOM 1306 CA ILE A 86 -10.317 1.587 -1.578 1.00 0.00 C ATOM 1307 C ILE A 86 -9.968 0.244 -0.945 1.00 0.00 C ATOM 1308 O ILE A 86 -10.815 -0.401 -0.327 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.659 2.594 -0.465 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.957 3.969 -1.065 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -9.518 2.683 0.538 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -11.736 4.877 -0.139 1.00 0.00 C ATOM 0 H ILE A 86 -12.288 1.123 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.458 1.956 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.550 2.246 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -10.017 4.453 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.519 3.839 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.775 3.399 1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.349 1.703 0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.611 3.011 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.911 5.834 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.692 4.414 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.167 5.038 0.777 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.716 -0.171 -1.101 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.254 -1.436 -0.543 1.00 0.00 C ATOM 1326 C PHE A 87 -7.108 -1.213 0.439 1.00 0.00 C ATOM 1327 O PHE A 87 -6.144 -0.511 0.134 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.805 -2.378 -1.663 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.670 -2.307 -2.888 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -9.822 -3.071 -2.984 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -8.332 -1.476 -3.944 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -10.620 -3.008 -4.112 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -9.126 -1.409 -5.074 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.271 -2.175 -5.157 1.00 0.00 C ATOM 0 H PHE A 87 -8.002 0.351 -1.610 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.085 -1.891 -0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.778 -2.138 -1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.804 -3.401 -1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.100 -3.723 -2.169 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.438 -0.873 -3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.515 -3.609 -4.176 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.851 -0.758 -5.891 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.893 -2.123 -6.038 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.221 -1.814 1.619 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.194 -1.682 2.645 1.00 0.00 C ATOM 1346 C ALA A 88 -5.634 -3.044 3.039 1.00 0.00 C ATOM 1347 O ALA A 88 -6.323 -4.061 2.946 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.756 -0.967 3.865 1.00 0.00 C ATOM 0 H ALA A 88 -8.014 -2.397 1.888 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.378 -1.088 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.978 -0.875 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.102 0.026 3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.591 -1.539 4.269 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.380 -3.058 3.479 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.727 -4.297 3.886 1.00 0.00 C ATOM 1356 C PHE A 89 -2.866 -4.075 5.127 1.00 0.00 C ATOM 1357 O PHE A 89 -2.293 -3.002 5.316 1.00 0.00 O ATOM 1358 CB PHE A 89 -2.866 -4.843 2.745 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.569 -4.858 1.418 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -3.699 -3.696 0.675 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -4.100 -6.034 0.914 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.345 -3.706 -0.547 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -4.747 -6.051 -0.307 1.00 0.00 C ATOM 1364 CZ PHE A 89 -4.871 -4.886 -1.038 1.00 0.00 C ATOM 0 H PHE A 89 -3.796 -2.226 3.563 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.502 -5.025 4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.962 -4.239 2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.551 -5.857 2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.291 -2.771 1.055 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.007 -6.948 1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.439 -2.793 -1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.155 -6.975 -0.689 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.378 -4.897 -1.992 1.00 0.00 H new ATOM 1374 N LYS A 90 -2.781 -5.098 5.970 1.00 0.00 N ATOM 1375 CA LYS A 90 -1.990 -5.018 7.193 1.00 0.00 C ATOM 1376 C LYS A 90 -0.598 -5.604 6.980 1.00 0.00 C ATOM 1377 O LYS A 90 -0.446 -6.661 6.366 1.00 0.00 O ATOM 1378 CB LYS A 90 -2.698 -5.758 8.331 1.00 0.00 C ATOM 1379 CG LYS A 90 -2.309 -5.261 9.713 1.00 0.00 C ATOM 1380 CD LYS A 90 -3.073 -5.993 10.804 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.258 -5.120 12.036 1.00 0.00 C ATOM 1382 NZ LYS A 90 -2.027 -5.075 12.873 1.00 0.00 N ATOM 0 H LYS A 90 -3.250 -5.993 5.829 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.885 -3.967 7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.776 -5.653 8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.470 -6.822 8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.238 -5.399 9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.506 -4.191 9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.048 -6.300 10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.537 -6.902 11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.525 -4.109 11.728 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.088 -5.502 12.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.193 -4.470 13.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.786 -6.036 13.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.241 -4.687 12.314 1.00 0.00 H new ATOM 1396 N CYS A 91 0.414 -4.913 7.493 1.00 0.00 N ATOM 1397 CA CYS A 91 1.794 -5.366 7.360 1.00 0.00 C ATOM 1398 C CYS A 91 2.723 -4.552 8.255 1.00 0.00 C ATOM 1399 O CYS A 91 2.301 -3.582 8.884 1.00 0.00 O ATOM 1400 CB CYS A 91 2.249 -5.261 5.903 1.00 0.00 C ATOM 1401 SG CYS A 91 1.656 -3.781 5.050 1.00 0.00 S ATOM 0 H CYS A 91 0.305 -4.037 8.005 1.00 0.00 H new ATOM 0 HA CYS A 91 1.839 -6.409 7.673 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.338 -5.273 5.872 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.905 -6.142 5.362 1.00 0.00 H new ATOM 0 HG CYS A 91 2.094 -3.781 3.826 1.00 0.00 H new ATOM 1407 N SER A 92 3.988 -4.954 8.308 1.00 0.00 N ATOM 1408 CA SER A 92 4.976 -4.265 9.130 1.00 0.00 C ATOM 1409 C SER A 92 5.972 -3.504 8.261 1.00 0.00 C ATOM 1410 O SER A 92 6.650 -2.590 8.729 1.00 0.00 O ATOM 1411 CB SER A 92 5.717 -5.266 10.019 1.00 0.00 C ATOM 1412 OG SER A 92 4.888 -5.725 11.072 1.00 0.00 O ATOM 0 H SER A 92 4.354 -5.754 7.791 1.00 0.00 H new ATOM 0 HA SER A 92 4.451 -3.548 9.761 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.050 -6.113 9.419 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.610 -4.798 10.433 1.00 0.00 H new ATOM 0 HG SER A 92 5.384 -6.365 11.624 1.00 0.00 H new ATOM 1418 N ARG A 93 6.053 -3.889 6.991 1.00 0.00 N ATOM 1419 CA ARG A 93 6.967 -3.245 6.055 1.00 0.00 C ATOM 1420 C ARG A 93 6.203 -2.372 5.063 1.00 0.00 C ATOM 1421 O ARG A 93 6.633 -2.185 3.926 1.00 0.00 O ATOM 1422 CB ARG A 93 7.784 -4.296 5.302 1.00 0.00 C ATOM 1423 CG ARG A 93 6.933 -5.285 4.522 1.00 0.00 C ATOM 1424 CD ARG A 93 7.623 -6.634 4.395 1.00 0.00 C ATOM 1425 NE ARG A 93 8.101 -7.127 5.684 1.00 0.00 N ATOM 1426 CZ ARG A 93 7.305 -7.635 6.619 1.00 0.00 C ATOM 1427 NH1 ARG A 93 5.999 -7.716 6.408 1.00 0.00 N ATOM 1428 NH2 ARG A 93 7.816 -8.063 7.766 1.00 0.00 N ATOM 0 H ARG A 93 5.497 -4.643 6.587 1.00 0.00 H new ATOM 0 HA ARG A 93 7.644 -2.609 6.626 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.463 -3.792 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.401 -4.843 6.015 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.972 -5.412 5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.727 -4.886 3.529 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.930 -7.357 3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.463 -6.548 3.705 1.00 0.00 H new ATOM 0 HE ARG A 93 9.101 -7.079 5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.603 -7.388 5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.390 -8.106 7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.821 -8.002 7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.204 -8.453 8.483 1.00 0.00 H new ATOM 1442 N ALA A 94 5.067 -1.841 5.503 1.00 0.00 N ATOM 1443 CA ALA A 94 4.244 -0.987 4.656 1.00 0.00 C ATOM 1444 C ALA A 94 5.031 0.225 4.169 1.00 0.00 C ATOM 1445 O ALA A 94 4.906 0.635 3.015 1.00 0.00 O ATOM 1446 CB ALA A 94 2.997 -0.543 5.406 1.00 0.00 C ATOM 0 H ALA A 94 4.696 -1.987 6.442 1.00 0.00 H new ATOM 0 HA ALA A 94 3.942 -1.566 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.392 0.094 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.417 -1.418 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.287 0.014 6.297 1.00 0.00 H new ATOM 1452 N GLU A 95 5.841 0.795 5.056 1.00 0.00 N ATOM 1453 CA GLU A 95 6.646 1.962 4.716 1.00 0.00 C ATOM 1454 C GLU A 95 7.435 1.722 3.432 1.00 0.00 C ATOM 1455 O GLU A 95 7.546 2.609 2.586 1.00 0.00 O ATOM 1456 CB GLU A 95 7.604 2.299 5.860 1.00 0.00 C ATOM 1457 CG GLU A 95 8.532 3.463 5.554 1.00 0.00 C ATOM 1458 CD GLU A 95 8.945 4.223 6.799 1.00 0.00 C ATOM 1459 OE1 GLU A 95 9.177 3.574 7.841 1.00 0.00 O ATOM 1460 OE2 GLU A 95 9.035 5.467 6.733 1.00 0.00 O ATOM 0 H GLU A 95 5.957 0.467 6.015 1.00 0.00 H new ATOM 0 HA GLU A 95 5.972 2.803 4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.023 2.533 6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.203 1.419 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.423 3.089 5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.037 4.146 4.864 1.00 0.00 H new ATOM 1467 N GLU A 96 7.980 0.518 3.295 1.00 0.00 N ATOM 1468 CA GLU A 96 8.760 0.163 2.115 1.00 0.00 C ATOM 1469 C GLU A 96 7.892 0.194 0.860 1.00 0.00 C ATOM 1470 O GLU A 96 8.299 0.722 -0.176 1.00 0.00 O ATOM 1471 CB GLU A 96 9.380 -1.226 2.285 1.00 0.00 C ATOM 1472 CG GLU A 96 10.323 -1.330 3.471 1.00 0.00 C ATOM 1473 CD GLU A 96 11.423 -2.351 3.255 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.109 -3.479 2.820 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.598 -2.022 3.521 1.00 0.00 O ATOM 0 H GLU A 96 7.896 -0.228 3.986 1.00 0.00 H new ATOM 0 HA GLU A 96 9.557 0.898 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.582 -1.959 2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.923 -1.486 1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.770 -0.354 3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.753 -1.598 4.361 1.00 0.00 H new ATOM 1482 N ILE A 97 6.696 -0.376 0.961 1.00 0.00 N ATOM 1483 CA ILE A 97 5.771 -0.413 -0.165 1.00 0.00 C ATOM 1484 C ILE A 97 5.373 0.995 -0.596 1.00 0.00 C ATOM 1485 O ILE A 97 5.423 1.331 -1.780 1.00 0.00 O ATOM 1486 CB ILE A 97 4.499 -1.211 0.177 1.00 0.00 C ATOM 1487 CG1 ILE A 97 4.868 -2.607 0.684 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.590 -1.306 -1.039 1.00 0.00 C ATOM 1489 CD1 ILE A 97 3.690 -3.382 1.231 1.00 0.00 C ATOM 0 H ILE A 97 6.345 -0.818 1.810 1.00 0.00 H new ATOM 0 HA ILE A 97 6.292 -0.908 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 97 3.961 -0.688 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.318 -3.173 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.624 -2.514 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.695 -1.873 -0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.305 -0.304 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.118 -1.809 -1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.026 -4.361 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.253 -2.837 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.942 -3.507 0.448 1.00 0.00 H new ATOM 1501 N PHE A 98 4.979 1.815 0.372 1.00 0.00 N ATOM 1502 CA PHE A 98 4.573 3.188 0.093 1.00 0.00 C ATOM 1503 C PHE A 98 5.726 3.983 -0.513 1.00 0.00 C ATOM 1504 O PHE A 98 5.576 4.613 -1.559 1.00 0.00 O ATOM 1505 CB PHE A 98 4.087 3.869 1.374 1.00 0.00 C ATOM 1506 CG PHE A 98 3.829 5.339 1.211 1.00 0.00 C ATOM 1507 CD1 PHE A 98 2.642 5.790 0.656 1.00 0.00 C ATOM 1508 CD2 PHE A 98 4.773 6.270 1.612 1.00 0.00 C ATOM 1509 CE1 PHE A 98 2.401 7.143 0.504 1.00 0.00 C ATOM 1510 CE2 PHE A 98 4.538 7.624 1.463 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.351 8.061 0.907 1.00 0.00 C ATOM 0 H PHE A 98 4.932 1.553 1.357 1.00 0.00 H new ATOM 0 HA PHE A 98 3.756 3.160 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.171 3.383 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.830 3.724 2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.896 5.076 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.703 5.934 2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.471 7.481 0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.282 8.340 1.781 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.166 9.118 0.788 1.00 0.00 H new ATOM 1521 N ASN A 99 6.875 3.949 0.153 1.00 0.00 N ATOM 1522 CA ASN A 99 8.054 4.667 -0.319 1.00 0.00 C ATOM 1523 C ASN A 99 8.449 4.205 -1.718 1.00 0.00 C ATOM 1524 O ASN A 99 8.865 5.007 -2.554 1.00 0.00 O ATOM 1525 CB ASN A 99 9.222 4.462 0.648 1.00 0.00 C ATOM 1526 CG ASN A 99 9.002 5.157 1.977 1.00 0.00 C ATOM 1527 OD1 ASN A 99 8.281 6.152 2.058 1.00 0.00 O ATOM 1528 ND2 ASN A 99 9.623 4.634 3.028 1.00 0.00 N ATOM 0 H ASN A 99 7.015 3.432 1.021 1.00 0.00 H new ATOM 0 HA ASN A 99 7.809 5.728 -0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.366 3.395 0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.138 4.838 0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.512 5.058 3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.211 3.808 2.914 1.00 0.00 H new ATOM 1535 N LEU A 100 8.315 2.906 -1.965 1.00 0.00 N ATOM 1536 CA LEU A 100 8.657 2.336 -3.264 1.00 0.00 C ATOM 1537 C LEU A 100 7.673 2.793 -4.336 1.00 0.00 C ATOM 1538 O LEU A 100 8.063 3.403 -5.333 1.00 0.00 O ATOM 1539 CB LEU A 100 8.668 0.808 -3.185 1.00 0.00 C ATOM 1540 CG LEU A 100 8.875 0.069 -4.507 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.314 0.210 -4.978 1.00 0.00 C ATOM 1542 CD2 LEU A 100 8.501 -1.399 -4.362 1.00 0.00 C ATOM 0 H LEU A 100 7.972 2.228 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 100 9.652 2.688 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.456 0.506 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.723 0.480 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 100 8.223 0.517 -5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.442 -0.323 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.548 1.265 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.985 -0.211 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.655 -1.909 -5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.126 -1.860 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.454 -1.481 -4.072 1.00 0.00 H new ATOM 1554 N LEU A 101 6.395 2.498 -4.124 1.00 0.00 N ATOM 1555 CA LEU A 101 5.354 2.881 -5.071 1.00 0.00 C ATOM 1556 C LEU A 101 5.577 4.301 -5.581 1.00 0.00 C ATOM 1557 O LEU A 101 5.575 4.544 -6.787 1.00 0.00 O ATOM 1558 CB LEU A 101 3.976 2.773 -4.415 1.00 0.00 C ATOM 1559 CG LEU A 101 2.775 2.958 -5.343 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.441 1.654 -6.051 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.572 3.467 -4.563 1.00 0.00 C ATOM 0 H LEU A 101 6.055 1.995 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 101 5.400 2.199 -5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.897 1.794 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.914 3.517 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 101 3.034 3.701 -6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.584 1.805 -6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.298 1.331 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.202 0.890 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.727 3.593 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.311 2.748 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.815 4.425 -4.104 1.00 0.00 H new ATOM 1573 N GLN A 102 5.772 5.233 -4.654 1.00 0.00 N ATOM 1574 CA GLN A 102 5.998 6.629 -5.011 1.00 0.00 C ATOM 1575 C GLN A 102 7.354 6.805 -5.687 1.00 0.00 C ATOM 1576 O GLN A 102 7.569 7.763 -6.430 1.00 0.00 O ATOM 1577 CB GLN A 102 5.917 7.515 -3.767 1.00 0.00 C ATOM 1578 CG GLN A 102 7.024 7.251 -2.758 1.00 0.00 C ATOM 1579 CD GLN A 102 7.383 8.483 -1.951 1.00 0.00 C ATOM 1580 OE1 GLN A 102 8.104 9.361 -2.425 1.00 0.00 O ATOM 1581 NE2 GLN A 102 6.882 8.554 -0.724 1.00 0.00 N ATOM 0 H GLN A 102 5.778 5.047 -3.651 1.00 0.00 H new ATOM 0 HA GLN A 102 5.220 6.929 -5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.957 8.560 -4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.952 7.361 -3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.711 6.456 -2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.910 6.893 -3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.289 7.803 -0.371 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.090 9.359 -0.134 1.00 0.00 H new ATOM 1590 N ASP A 103 8.265 5.874 -5.425 1.00 0.00 N ATOM 1591 CA ASP A 103 9.600 5.926 -6.009 1.00 0.00 C ATOM 1592 C ASP A 103 9.586 5.411 -7.445 1.00 0.00 C ATOM 1593 O ASP A 103 10.353 5.874 -8.290 1.00 0.00 O ATOM 1594 CB ASP A 103 10.580 5.104 -5.169 1.00 0.00 C ATOM 1595 CG ASP A 103 11.241 5.927 -4.081 1.00 0.00 C ATOM 1596 OD1 ASP A 103 10.647 6.943 -3.662 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.351 5.555 -3.648 1.00 0.00 O ATOM 0 H ASP A 103 8.103 5.075 -4.812 1.00 0.00 H new ATOM 0 HA ASP A 103 9.925 6.966 -6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.051 4.266 -4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.347 4.683 -5.819 1.00 0.00 H new ATOM 1602 N LEU A 104 8.709 4.449 -7.714 1.00 0.00 N ATOM 1603 CA LEU A 104 8.595 3.869 -9.048 1.00 0.00 C ATOM 1604 C LEU A 104 8.050 4.891 -10.041 1.00 0.00 C ATOM 1605 O LEU A 104 8.536 4.997 -11.166 1.00 0.00 O ATOM 1606 CB LEU A 104 7.687 2.639 -9.015 1.00 0.00 C ATOM 1607 CG LEU A 104 8.211 1.439 -8.224 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.103 0.422 -8.000 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.388 0.798 -8.945 1.00 0.00 C ATOM 0 H LEU A 104 8.067 4.055 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 104 9.591 3.569 -9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.725 2.933 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.503 2.320 -10.041 1.00 0.00 H new ATOM 0 HG LEU A 104 8.554 1.791 -7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.495 -0.424 -7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.291 0.886 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.728 0.074 -8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.748 -0.054 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.070 0.460 -9.931 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.190 1.528 -9.053 1.00 0.00 H new ATOM 1621 N MET A 105 7.039 5.641 -9.615 1.00 0.00 N ATOM 1622 CA MET A 105 6.430 6.657 -10.466 1.00 0.00 C ATOM 1623 C MET A 105 7.437 7.748 -10.816 1.00 0.00 C ATOM 1624 O MET A 105 7.638 8.066 -11.987 1.00 0.00 O ATOM 1625 CB MET A 105 5.214 7.272 -9.772 1.00 0.00 C ATOM 1626 CG MET A 105 4.093 6.278 -9.515 1.00 0.00 C ATOM 1627 SD MET A 105 2.949 6.835 -8.238 1.00 0.00 S ATOM 1628 CE MET A 105 1.452 7.056 -9.197 1.00 0.00 C ATOM 0 H MET A 105 6.624 5.565 -8.686 1.00 0.00 H new ATOM 0 HA MET A 105 6.107 6.176 -11.389 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.529 7.706 -8.823 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.831 8.089 -10.384 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.543 6.109 -10.441 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.522 5.321 -9.220 1.00 0.00 H new ATOM 0 HE1 MET A 105 1.079 8.071 -9.060 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.668 6.888 -10.252 1.00 0.00 H new ATOM 0 HE3 MET A 105 0.697 6.344 -8.863 1.00 0.00 H new ATOM 1638 N GLN A 106 8.065 8.317 -9.792 1.00 0.00 N ATOM 1639 CA GLN A 106 9.050 9.374 -9.992 1.00 0.00 C ATOM 1640 C GLN A 106 10.285 8.838 -10.710 1.00 0.00 C ATOM 1641 O GLN A 106 10.864 9.516 -11.559 1.00 0.00 O ATOM 1642 CB GLN A 106 9.452 9.987 -8.650 1.00 0.00 C ATOM 1643 CG GLN A 106 10.114 8.998 -7.703 1.00 0.00 C ATOM 1644 CD GLN A 106 10.243 9.537 -6.293 1.00 0.00 C ATOM 1645 OE1 GLN A 106 9.555 10.485 -5.913 1.00 0.00 O ATOM 1646 NE2 GLN A 106 11.127 8.935 -5.507 1.00 0.00 N ATOM 0 H GLN A 106 7.910 8.064 -8.816 1.00 0.00 H new ATOM 0 HA GLN A 106 8.596 10.146 -10.614 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.134 10.818 -8.829 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.566 10.401 -8.169 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.534 8.076 -7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.104 8.744 -8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.676 8.153 -5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.257 9.255 -4.547 1.00 0.00 H new ATOM 2022 N PHE A 136 -11.784 -6.339 0.070 1.00 0.00 N ATOM 2023 CA PHE A 136 -12.893 -5.582 0.638 1.00 0.00 C ATOM 2024 C PHE A 136 -12.725 -4.089 0.371 1.00 0.00 C ATOM 2025 O PHE A 136 -11.702 -3.497 0.718 1.00 0.00 O ATOM 2026 CB PHE A 136 -12.993 -5.834 2.143 1.00 0.00 C ATOM 2027 CG PHE A 136 -14.118 -5.089 2.803 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -14.097 -3.706 2.883 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -15.196 -5.772 3.344 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -15.131 -3.017 3.489 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -16.232 -5.088 3.950 1.00 0.00 C ATOM 2032 CZ PHE A 136 -16.199 -3.709 4.025 1.00 0.00 C ATOM 0 HA PHE A 136 -13.813 -5.918 0.159 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -13.124 -6.902 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -12.053 -5.548 2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -13.263 -3.160 2.467 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -15.226 -6.850 3.291 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -15.104 -1.939 3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -17.068 -5.631 4.365 1.00 0.00 H new ATOM 0 HZ PHE A 136 -17.007 -3.173 4.502 1.00 0.00 H new ATOM 2042 N ARG A 137 -13.736 -3.486 -0.246 1.00 0.00 N ATOM 2043 CA ARG A 137 -13.700 -2.063 -0.561 1.00 0.00 C ATOM 2044 C ARG A 137 -14.082 -1.227 0.656 1.00 0.00 C ATOM 2045 O ARG A 137 -15.049 -1.534 1.355 1.00 0.00 O ATOM 2046 CB ARG A 137 -14.644 -1.752 -1.724 1.00 0.00 C ATOM 2047 CG ARG A 137 -14.043 -2.038 -3.090 1.00 0.00 C ATOM 2048 CD ARG A 137 -15.121 -2.311 -4.127 1.00 0.00 C ATOM 2049 NE ARG A 137 -15.492 -3.723 -4.172 1.00 0.00 N ATOM 2050 CZ ARG A 137 -16.204 -4.265 -5.153 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -16.621 -3.517 -6.166 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -16.501 -5.558 -5.123 1.00 0.00 N ATOM 0 H ARG A 137 -14.590 -3.961 -0.538 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.681 -1.806 -0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.555 -2.338 -1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -14.932 -0.702 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -13.438 -1.189 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.376 -2.897 -3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -16.003 -1.712 -3.900 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.767 -1.998 -5.109 1.00 0.00 H new ATOM 0 HE ARG A 137 -15.187 -4.326 -3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -16.395 -2.523 -6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.168 -3.936 -6.918 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -16.182 -6.137 -4.346 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -17.048 -5.973 -5.877 1.00 0.00 H new ATOM 2066 N LEU A 138 -13.317 -0.170 0.905 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.575 0.711 2.039 1.00 0.00 C ATOM 2068 C LEU A 138 -14.263 1.995 1.586 1.00 0.00 C ATOM 2069 O LEU A 138 -14.032 2.476 0.477 1.00 0.00 O ATOM 2070 CB LEU A 138 -12.266 1.047 2.757 1.00 0.00 C ATOM 2071 CG LEU A 138 -11.412 -0.146 3.188 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -10.041 0.319 3.652 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -12.110 -0.933 4.287 1.00 0.00 C ATOM 0 H LEU A 138 -12.513 0.098 0.337 1.00 0.00 H new ATOM 0 HA LEU A 138 -14.238 0.189 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.667 1.679 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -12.502 1.638 3.642 1.00 0.00 H new ATOM 0 HG LEU A 138 -11.279 -0.802 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.447 -0.544 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.537 0.838 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.154 0.997 4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -11.487 -1.778 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -12.275 -0.287 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -13.069 -1.299 3.920 1.00 0.00 H new ATOM 2085 N ARG A 139 -15.108 2.545 2.452 1.00 0.00 N ATOM 2086 CA ARG A 139 -15.829 3.773 2.142 1.00 0.00 C ATOM 2087 C ARG A 139 -15.020 4.998 2.558 1.00 0.00 C ATOM 2088 O ARG A 139 -15.179 6.081 1.994 1.00 0.00 O ATOM 2089 CB ARG A 139 -17.188 3.783 2.843 1.00 0.00 C ATOM 2090 CG ARG A 139 -18.301 3.150 2.024 1.00 0.00 C ATOM 2091 CD ARG A 139 -18.784 4.084 0.925 1.00 0.00 C ATOM 2092 NE ARG A 139 -19.384 5.301 1.466 1.00 0.00 N ATOM 2093 CZ ARG A 139 -20.136 6.129 0.750 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -20.381 5.873 -0.527 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -20.647 7.217 1.313 1.00 0.00 N ATOM 0 H ARG A 139 -15.310 2.159 3.374 1.00 0.00 H new ATOM 0 HA ARG A 139 -15.985 3.811 1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -17.101 3.254 3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -17.460 4.813 3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -17.945 2.220 1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -19.135 2.894 2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -17.946 4.349 0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -19.514 3.565 0.303 1.00 0.00 H new ATOM 0 HE ARG A 139 -19.216 5.527 2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -19.992 5.037 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -20.959 6.512 -1.073 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -20.462 7.417 2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -21.224 7.853 0.763 1.00 0.00 H new ATOM 2109 N HIS A 140 -14.153 4.820 3.550 1.00 0.00 N ATOM 2110 CA HIS A 140 -13.319 5.911 4.042 1.00 0.00 C ATOM 2111 C HIS A 140 -11.856 5.486 4.112 1.00 0.00 C ATOM 2112 O HIS A 140 -11.546 4.335 4.420 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.798 6.364 5.421 1.00 0.00 C ATOM 2114 CG HIS A 140 -14.875 7.403 5.370 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -14.713 8.681 5.862 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -16.136 7.349 4.878 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -15.826 9.367 5.677 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -16.706 8.581 5.082 1.00 0.00 N ATOM 0 H HIS A 140 -14.010 3.931 4.029 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.404 6.745 3.345 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -14.166 5.498 5.971 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -12.949 6.759 5.979 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -16.606 6.495 4.412 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -15.989 10.395 5.963 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -17.655 8.847 4.817 1.00 0.00 H new ATOM 2127 N PHE A 141 -10.958 6.424 3.824 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.527 6.146 3.854 1.00 0.00 C ATOM 2129 C PHE A 141 -9.038 5.961 5.287 1.00 0.00 C ATOM 2130 O PHE A 141 -9.087 6.876 6.110 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.752 7.281 3.181 1.00 0.00 C ATOM 2132 CG PHE A 141 -7.473 6.833 2.534 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -7.474 5.808 1.602 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.269 7.437 2.859 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -6.298 5.393 1.007 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -5.089 7.027 2.266 1.00 0.00 C ATOM 2137 CZ PHE A 141 -5.104 6.004 1.338 1.00 0.00 C ATOM 0 H PHE A 141 -11.197 7.382 3.568 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.351 5.220 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.387 7.747 2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.525 8.046 3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.405 5.328 1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.252 8.237 3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.312 4.591 0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.157 7.506 2.528 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.184 5.682 0.872 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.554 4.749 5.595 1.00 0.00 N ATOM 2148 CA PRO A 142 -8.047 4.414 6.929 1.00 0.00 C ATOM 2149 C PRO A 142 -6.736 5.125 7.245 1.00 0.00 C ATOM 2150 O PRO A 142 -6.521 5.580 8.369 1.00 0.00 O ATOM 2151 CB PRO A 142 -7.830 2.900 6.856 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.618 2.617 5.409 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.465 3.611 4.664 1.00 0.00 C ATOM 0 HA PRO A 142 -8.735 4.722 7.716 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -6.968 2.595 7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.692 2.357 7.243 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.567 2.722 5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -7.909 1.595 5.164 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -8.007 3.900 3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.449 3.205 4.430 1.00 0.00 H new ATOM 2161 N CYS A 143 -5.863 5.218 6.248 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.571 5.874 6.421 1.00 0.00 C ATOM 2163 C CYS A 143 -4.747 7.376 6.620 1.00 0.00 C ATOM 2164 O CYS A 143 -5.802 7.933 6.319 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.675 5.609 5.211 1.00 0.00 C ATOM 2166 SG CYS A 143 -2.755 4.055 5.300 1.00 0.00 S ATOM 0 H CYS A 143 -6.026 4.848 5.312 1.00 0.00 H new ATOM 0 HA CYS A 143 -4.097 5.461 7.311 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -4.290 5.604 4.311 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -2.968 6.432 5.109 1.00 0.00 H new ATOM 0 HG CYS A 143 -2.256 3.914 6.492 1.00 0.00 H new ATOM 2172 N GLY A 144 -3.706 8.026 7.132 1.00 0.00 N ATOM 2173 CA GLY A 144 -3.766 9.457 7.364 1.00 0.00 C ATOM 2174 C GLY A 144 -2.591 10.194 6.753 1.00 0.00 C ATOM 2175 O GLY A 144 -2.352 11.360 7.063 1.00 0.00 O ATOM 0 H GLY A 144 -2.822 7.587 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -4.694 9.851 6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -3.792 9.647 8.437 1.00 0.00 H new ATOM 2179 N ASN A 145 -1.853 9.510 5.884 1.00 0.00 N ATOM 2180 CA ASN A 145 -0.694 10.107 5.230 1.00 0.00 C ATOM 2181 C ASN A 145 -0.892 10.165 3.718 1.00 0.00 C ATOM 2182 O ASN A 145 0.066 10.067 2.951 1.00 0.00 O ATOM 2183 CB ASN A 145 0.570 9.310 5.559 1.00 0.00 C ATOM 2184 CG ASN A 145 0.860 9.275 7.047 1.00 0.00 C ATOM 2185 OD1 ASN A 145 1.364 10.244 7.616 1.00 0.00 O ATOM 2186 ND2 ASN A 145 0.542 8.155 7.686 1.00 0.00 N ATOM 0 H ASN A 145 -2.037 8.543 5.617 1.00 0.00 H new ATOM 0 HA ASN A 145 -0.582 11.125 5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 145 0.460 8.291 5.189 1.00 0.00 H new ATOM 0 HB3 ASN A 145 1.420 9.749 5.036 1.00 0.00 H new ATOM 0 HD21 ASN A 145 0.714 8.073 8.688 1.00 0.00 H new ATOM 0 HD22 ASN A 145 0.126 7.377 7.175 1.00 0.00 H new ATOM 2193 N VAL A 146 -2.143 10.325 3.297 1.00 0.00 N ATOM 2194 CA VAL A 146 -2.468 10.399 1.877 1.00 0.00 C ATOM 2195 C VAL A 146 -1.390 11.151 1.105 1.00 0.00 C ATOM 2196 O VAL A 146 -0.897 12.185 1.555 1.00 0.00 O ATOM 2197 CB VAL A 146 -3.825 11.088 1.647 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.957 11.539 0.200 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -4.967 10.159 2.030 1.00 0.00 C ATOM 0 H VAL A 146 -2.948 10.406 3.919 1.00 0.00 H new ATOM 0 HA VAL A 146 -2.524 9.374 1.511 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.876 11.971 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.923 12.024 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -3.159 12.243 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.884 10.674 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.918 10.663 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -4.921 9.256 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -4.881 9.891 3.083 1.00 0.00 H new ATOM 2209 N ASN A 147 -1.029 10.625 -0.061 1.00 0.00 N ATOM 2210 CA ASN A 147 -0.009 11.248 -0.897 1.00 0.00 C ATOM 2211 C ASN A 147 -0.532 11.481 -2.311 1.00 0.00 C ATOM 2212 O ASN A 147 -1.571 10.944 -2.697 1.00 0.00 O ATOM 2213 CB ASN A 147 1.246 10.373 -0.943 1.00 0.00 C ATOM 2214 CG ASN A 147 2.480 11.154 -1.353 1.00 0.00 C ATOM 2215 OD1 ASN A 147 2.465 12.384 -1.394 1.00 0.00 O ATOM 2216 ND2 ASN A 147 3.557 10.440 -1.659 1.00 0.00 N ATOM 0 H ASN A 147 -1.427 9.770 -0.448 1.00 0.00 H new ATOM 0 HA ASN A 147 0.245 12.213 -0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 147 1.411 9.927 0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.089 9.553 -1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.417 10.910 -1.942 1.00 0.00 H new ATOM 0 HD22 ASN A 147 3.524 9.422 -1.611 1.00 0.00 H new ATOM 2223 N TYR A 148 0.194 12.284 -3.080 1.00 0.00 N ATOM 2224 CA TYR A 148 -0.197 12.590 -4.451 1.00 0.00 C ATOM 2225 C TYR A 148 0.886 12.160 -5.436 1.00 0.00 C ATOM 2226 O TYR A 148 2.038 12.580 -5.332 1.00 0.00 O ATOM 2227 CB TYR A 148 -0.474 14.087 -4.602 1.00 0.00 C ATOM 2228 CG TYR A 148 -1.875 14.487 -4.196 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -2.412 14.073 -2.983 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -2.660 15.279 -5.024 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -3.691 14.436 -2.608 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -3.940 15.648 -4.657 1.00 0.00 C ATOM 2233 CZ TYR A 148 -4.451 15.223 -3.448 1.00 0.00 C ATOM 2234 OH TYR A 148 -5.725 15.587 -3.078 1.00 0.00 O ATOM 0 H TYR A 148 1.057 12.735 -2.777 1.00 0.00 H new ATOM 0 HA TYR A 148 -1.107 12.034 -4.675 1.00 0.00 H new ATOM 0 HB2 TYR A 148 0.243 14.643 -3.999 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -0.309 14.376 -5.640 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -1.820 13.457 -2.323 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -2.263 15.612 -5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -4.094 14.105 -1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -4.537 16.265 -5.312 1.00 0.00 H new ATOM 0 HH TYR A 148 -6.124 16.142 -3.780 1.00 0.00 H new ATOM 2244 N GLY A 149 0.507 11.319 -6.393 1.00 0.00 N ATOM 2245 CA GLY A 149 1.456 10.845 -7.383 1.00 0.00 C ATOM 2246 C GLY A 149 1.692 11.855 -8.489 1.00 0.00 C ATOM 2247 O GLY A 149 2.096 12.988 -8.229 1.00 0.00 O ATOM 0 H GLY A 149 -0.441 10.957 -6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.403 10.618 -6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.090 9.914 -7.817 1.00 0.00 H new