USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 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 9 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.004) USER MOD Single : A 11 ASN : amide:sc= -1.34! K(o=-1.3!,f=-0.22) USER MOD Single : A 25 THR OG1 : rot -80:sc= 1.22 USER MOD Single : A 26 THR OG1 : rot -94:sc= 1.17 USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= 1.09 (180deg=0.813) USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= 0.31 (180deg=-0.493) USER MOD Single : A 39 LYS NZ :NH3+ -103:sc= 0.211 (180deg=-0.34) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0698 USER MOD Single : A 50 GLN : amide:sc= 1.08 K(o=1.1,f=-0.44) USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= 1.35 (180deg=1.17) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.55 K(o=-1.6,f=-5.6!) USER MOD Single : A 60 GLN : amide:sc= 0.118 X(o=0.12,f=-0.21) USER MOD Single : A 61 HIS : no HD1:sc= 1.03 K(o=1.4,f=-5.9!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.284 USER MOD Single : A 66 SER OG : rot 80:sc= 1.23 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= 2.43 (180deg=2.06) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.995 K(o=1,f=-3.3!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 -0.162 13.218 -9.704 1.00 0.00 N ATOM 135 CA GLN A 9 0.350 11.893 -10.014 1.00 0.00 C ATOM 136 C GLN A 9 1.856 11.952 -10.210 1.00 0.00 C ATOM 137 O GLN A 9 2.339 12.356 -11.268 1.00 0.00 O ATOM 138 CB GLN A 9 -0.310 11.307 -11.267 1.00 0.00 C ATOM 139 CG GLN A 9 -1.791 10.999 -11.110 1.00 0.00 C ATOM 140 CD GLN A 9 -2.404 10.393 -12.362 1.00 0.00 C ATOM 141 OE1 GLN A 9 -3.589 10.580 -12.638 1.00 0.00 O ATOM 142 NE2 GLN A 9 -1.612 9.655 -13.126 1.00 0.00 N ATOM 0 HA GLN A 9 0.111 11.242 -9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.182 12.008 -12.092 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.212 10.391 -11.543 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.928 10.312 -10.275 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.323 11.916 -10.858 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.634 9.521 -12.867 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.980 9.221 -13.973 1.00 0.00 H new ATOM 151 N ASP A 10 2.591 11.561 -9.185 1.00 0.00 N ATOM 152 CA ASP A 10 4.042 11.583 -9.236 1.00 0.00 C ATOM 153 C ASP A 10 4.579 10.200 -9.593 1.00 0.00 C ATOM 154 O ASP A 10 3.822 9.327 -10.034 1.00 0.00 O ATOM 155 CB ASP A 10 4.627 12.086 -7.909 1.00 0.00 C ATOM 156 CG ASP A 10 4.332 11.183 -6.729 1.00 0.00 C ATOM 157 OD1 ASP A 10 3.140 10.957 -6.421 1.00 0.00 O ATOM 158 OD2 ASP A 10 5.296 10.721 -6.087 1.00 0.00 O ATOM 0 H ASP A 10 2.205 11.223 -8.303 1.00 0.00 H new ATOM 0 HA ASP A 10 4.354 12.278 -10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.707 12.189 -8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.231 13.080 -7.702 1.00 0.00 H new ATOM 163 N ASN A 11 5.876 10.006 -9.417 1.00 0.00 N ATOM 164 CA ASN A 11 6.544 8.806 -9.907 1.00 0.00 C ATOM 165 C ASN A 11 7.062 7.936 -8.765 1.00 0.00 C ATOM 166 O ASN A 11 7.839 8.388 -7.921 1.00 0.00 O ATOM 167 CB ASN A 11 7.690 9.204 -10.846 1.00 0.00 C ATOM 168 CG ASN A 11 8.480 8.012 -11.358 1.00 0.00 C ATOM 169 OD1 ASN A 11 8.090 7.371 -12.336 1.00 0.00 O ATOM 170 ND2 ASN A 11 9.605 7.725 -10.721 1.00 0.00 N ATOM 0 H ASN A 11 6.490 10.664 -8.938 1.00 0.00 H new ATOM 0 HA ASN A 11 5.814 8.211 -10.456 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.283 9.754 -11.694 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.364 9.881 -10.321 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.185 6.948 -11.036 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.891 8.281 -9.915 1.00 0.00 H new ATOM 177 N PHE A 12 6.623 6.683 -8.749 1.00 0.00 N ATOM 178 CA PHE A 12 7.061 5.727 -7.745 1.00 0.00 C ATOM 179 C PHE A 12 7.733 4.532 -8.401 1.00 0.00 C ATOM 180 O PHE A 12 7.290 4.055 -9.449 1.00 0.00 O ATOM 181 CB PHE A 12 5.878 5.233 -6.910 1.00 0.00 C ATOM 182 CG PHE A 12 5.228 6.294 -6.075 1.00 0.00 C ATOM 183 CD1 PHE A 12 5.792 6.686 -4.873 1.00 0.00 C ATOM 184 CD2 PHE A 12 4.049 6.891 -6.485 1.00 0.00 C ATOM 185 CE1 PHE A 12 5.189 7.655 -4.095 1.00 0.00 C ATOM 186 CE2 PHE A 12 3.444 7.861 -5.714 1.00 0.00 C ATOM 187 CZ PHE A 12 4.014 8.245 -4.517 1.00 0.00 C ATOM 0 H PHE A 12 5.960 6.306 -9.426 1.00 0.00 H new ATOM 0 HA PHE A 12 7.773 6.236 -7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.131 4.804 -7.578 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.220 4.431 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.713 6.230 -4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.597 6.594 -7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.636 7.951 -3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.525 8.320 -6.047 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.542 9.005 -3.912 1.00 0.00 H new ATOM 197 N VAL A 13 8.804 4.055 -7.784 1.00 0.00 N ATOM 198 CA VAL A 13 9.465 2.838 -8.228 1.00 0.00 C ATOM 199 C VAL A 13 9.074 1.690 -7.309 1.00 0.00 C ATOM 200 O VAL A 13 9.486 1.644 -6.147 1.00 0.00 O ATOM 201 CB VAL A 13 11.003 2.986 -8.245 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.671 1.681 -8.652 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.419 4.112 -9.178 1.00 0.00 C ATOM 0 H VAL A 13 9.235 4.495 -6.971 1.00 0.00 H new ATOM 0 HA VAL A 13 9.142 2.635 -9.249 1.00 0.00 H new ATOM 0 HB VAL A 13 11.331 3.233 -7.235 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.753 1.812 -8.656 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.403 0.898 -7.942 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.336 1.397 -9.650 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.505 4.202 -9.178 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.073 3.894 -10.188 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.977 5.048 -8.838 1.00 0.00 H new ATOM 213 N VAL A 14 8.246 0.794 -7.821 1.00 0.00 N ATOM 214 CA VAL A 14 7.792 -0.349 -7.051 1.00 0.00 C ATOM 215 C VAL A 14 8.675 -1.555 -7.327 1.00 0.00 C ATOM 216 O VAL A 14 8.907 -1.918 -8.484 1.00 0.00 O ATOM 217 CB VAL A 14 6.324 -0.701 -7.368 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.874 -1.914 -6.569 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.426 0.487 -7.077 1.00 0.00 C ATOM 0 H VAL A 14 7.874 0.838 -8.770 1.00 0.00 H new ATOM 0 HA VAL A 14 7.858 -0.080 -5.997 1.00 0.00 H new ATOM 0 HB VAL A 14 6.251 -0.946 -8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.836 -2.143 -6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.502 -2.769 -6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.961 -1.701 -5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.392 0.226 -7.305 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.509 0.756 -6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.731 1.333 -7.693 1.00 0.00 H new ATOM 229 N LEU A 15 9.174 -2.160 -6.261 1.00 0.00 N ATOM 230 CA LEU A 15 10.027 -3.328 -6.370 1.00 0.00 C ATOM 231 C LEU A 15 9.385 -4.519 -5.678 1.00 0.00 C ATOM 232 O LEU A 15 9.385 -4.613 -4.451 1.00 0.00 O ATOM 233 CB LEU A 15 11.404 -3.057 -5.754 1.00 0.00 C ATOM 234 CG LEU A 15 12.200 -1.916 -6.392 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.569 -1.804 -5.743 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.341 -2.134 -7.889 1.00 0.00 C ATOM 0 H LEU A 15 9.000 -1.856 -5.303 1.00 0.00 H new ATOM 0 HA LEU A 15 10.154 -3.553 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.271 -2.836 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.997 -3.970 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 15 11.658 -0.984 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.125 -0.989 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.451 -1.605 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.114 -2.738 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.910 -1.312 -8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.862 -3.074 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.352 -2.173 -8.346 1.00 0.00 H new ATOM 248 N GLU A 16 8.817 -5.414 -6.465 1.00 0.00 N ATOM 249 CA GLU A 16 8.291 -6.658 -5.937 1.00 0.00 C ATOM 250 C GLU A 16 9.208 -7.803 -6.327 1.00 0.00 C ATOM 251 O GLU A 16 10.046 -7.655 -7.218 1.00 0.00 O ATOM 252 CB GLU A 16 6.878 -6.927 -6.457 1.00 0.00 C ATOM 253 CG GLU A 16 5.823 -6.005 -5.874 1.00 0.00 C ATOM 254 CD GLU A 16 4.432 -6.327 -6.381 1.00 0.00 C ATOM 255 OE1 GLU A 16 3.839 -7.323 -5.911 1.00 0.00 O ATOM 256 OE2 GLU A 16 3.933 -5.594 -7.263 1.00 0.00 O ATOM 0 H GLU A 16 8.708 -5.302 -7.473 1.00 0.00 H new ATOM 0 HA GLU A 16 8.242 -6.576 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.875 -6.826 -7.542 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.609 -7.959 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.838 -6.082 -4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.068 -4.973 -6.124 1.00 0.00 H new ATOM 354 N PHE A 23 7.710 1.318 -12.802 1.00 0.00 N ATOM 355 CA PHE A 23 7.577 2.761 -12.684 1.00 0.00 C ATOM 356 C PHE A 23 6.130 3.161 -12.932 1.00 0.00 C ATOM 357 O PHE A 23 5.676 3.206 -14.074 1.00 0.00 O ATOM 358 CB PHE A 23 8.492 3.471 -13.689 1.00 0.00 C ATOM 359 CG PHE A 23 9.933 3.053 -13.608 1.00 0.00 C ATOM 360 CD1 PHE A 23 10.772 3.588 -12.646 1.00 0.00 C ATOM 361 CD2 PHE A 23 10.448 2.123 -14.497 1.00 0.00 C ATOM 362 CE1 PHE A 23 12.099 3.204 -12.573 1.00 0.00 C ATOM 363 CE2 PHE A 23 11.772 1.736 -14.429 1.00 0.00 C ATOM 364 CZ PHE A 23 12.600 2.276 -13.465 1.00 0.00 C ATOM 0 HA PHE A 23 7.871 3.059 -11.678 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.125 3.278 -14.697 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.427 4.547 -13.526 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.386 4.313 -11.945 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.806 1.695 -15.253 1.00 0.00 H new ATOM 0 HE1 PHE A 23 12.743 3.630 -11.818 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.160 1.011 -15.130 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.635 1.974 -13.409 1.00 0.00 H new ATOM 374 N LEU A 24 5.404 3.434 -11.864 1.00 0.00 N ATOM 375 CA LEU A 24 3.990 3.743 -11.977 1.00 0.00 C ATOM 376 C LEU A 24 3.655 5.076 -11.320 1.00 0.00 C ATOM 377 O LEU A 24 4.529 5.742 -10.759 1.00 0.00 O ATOM 378 CB LEU A 24 3.160 2.606 -11.369 1.00 0.00 C ATOM 379 CG LEU A 24 3.671 2.041 -10.036 1.00 0.00 C ATOM 380 CD1 LEU A 24 3.430 3.009 -8.890 1.00 0.00 C ATOM 381 CD2 LEU A 24 3.018 0.702 -9.753 1.00 0.00 C ATOM 0 H LEU A 24 5.768 3.448 -10.911 1.00 0.00 H new ATOM 0 HA LEU A 24 3.742 3.836 -13.034 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.141 2.964 -11.223 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.111 1.791 -12.092 1.00 0.00 H new ATOM 0 HG LEU A 24 4.748 1.898 -10.121 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.804 2.575 -7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.951 3.945 -9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.361 3.202 -8.795 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.387 0.310 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.937 0.829 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.260 0.003 -10.554 1.00 0.00 H new ATOM 393 N THR A 25 2.392 5.463 -11.407 1.00 0.00 N ATOM 394 CA THR A 25 1.931 6.716 -10.830 1.00 0.00 C ATOM 395 C THR A 25 1.327 6.507 -9.442 1.00 0.00 C ATOM 396 O THR A 25 1.151 5.371 -8.992 1.00 0.00 O ATOM 397 CB THR A 25 0.883 7.389 -11.735 1.00 0.00 C ATOM 398 OG1 THR A 25 -0.170 6.465 -12.038 1.00 0.00 O ATOM 399 CG2 THR A 25 1.517 7.887 -13.024 1.00 0.00 C ATOM 0 H THR A 25 1.664 4.923 -11.875 1.00 0.00 H new ATOM 0 HA THR A 25 2.805 7.362 -10.742 1.00 0.00 H new ATOM 0 HB THR A 25 0.471 8.245 -11.200 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.121 5.859 -12.751 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.756 8.358 -13.646 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.295 8.614 -12.790 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.956 7.047 -13.562 1.00 0.00 H new ATOM 407 N THR A 26 1.003 7.614 -8.783 1.00 0.00 N ATOM 408 CA THR A 26 0.403 7.603 -7.456 1.00 0.00 C ATOM 409 C THR A 26 -0.840 6.709 -7.401 1.00 0.00 C ATOM 410 O THR A 26 -1.018 5.925 -6.466 1.00 0.00 O ATOM 411 CB THR A 26 0.008 9.036 -7.069 1.00 0.00 C ATOM 412 OG1 THR A 26 1.003 9.946 -7.555 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.130 9.183 -5.564 1.00 0.00 C ATOM 0 H THR A 26 1.151 8.551 -9.158 1.00 0.00 H new ATOM 0 HA THR A 26 1.138 7.203 -6.758 1.00 0.00 H new ATOM 0 HB THR A 26 -0.959 9.262 -7.519 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.658 10.123 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.410 10.208 -5.323 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.899 8.502 -5.201 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.820 8.945 -5.086 1.00 0.00 H new ATOM 421 N ILE A 27 -1.676 6.814 -8.429 1.00 0.00 N ATOM 422 CA ILE A 27 -2.938 6.082 -8.481 1.00 0.00 C ATOM 423 C ILE A 27 -2.698 4.576 -8.598 1.00 0.00 C ATOM 424 O ILE A 27 -3.400 3.771 -7.984 1.00 0.00 O ATOM 425 CB ILE A 27 -3.805 6.563 -9.669 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.094 8.065 -9.548 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.107 5.773 -9.753 1.00 0.00 C ATOM 428 CD1 ILE A 27 -4.827 8.451 -8.278 1.00 0.00 C ATOM 0 H ILE A 27 -1.501 7.403 -9.243 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.469 6.280 -7.550 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.246 6.389 -10.588 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.151 8.611 -9.592 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.685 8.381 -10.407 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.697 6.132 -10.597 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.883 4.715 -9.891 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.674 5.906 -8.831 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.994 9.528 -8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.786 7.935 -8.240 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.229 8.168 -7.412 1.00 0.00 H new ATOM 440 N GLU A 28 -1.687 4.205 -9.374 1.00 0.00 N ATOM 441 CA GLU A 28 -1.377 2.800 -9.605 1.00 0.00 C ATOM 442 C GLU A 28 -0.772 2.162 -8.360 1.00 0.00 C ATOM 443 O GLU A 28 -1.018 0.990 -8.070 1.00 0.00 O ATOM 444 CB GLU A 28 -0.426 2.667 -10.792 1.00 0.00 C ATOM 445 CG GLU A 28 -1.011 3.212 -12.081 1.00 0.00 C ATOM 446 CD GLU A 28 0.001 3.278 -13.203 1.00 0.00 C ATOM 447 OE1 GLU A 28 0.763 4.266 -13.254 1.00 0.00 O ATOM 448 OE2 GLU A 28 0.030 2.353 -14.043 1.00 0.00 O ATOM 0 H GLU A 28 -1.068 4.858 -9.854 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.304 2.273 -9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.502 3.194 -10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.171 1.616 -10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.847 2.584 -12.389 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.411 4.210 -11.900 1.00 0.00 H new ATOM 455 N LEU A 29 0.013 2.939 -7.623 1.00 0.00 N ATOM 456 CA LEU A 29 0.588 2.465 -6.370 1.00 0.00 C ATOM 457 C LEU A 29 -0.519 2.159 -5.369 1.00 0.00 C ATOM 458 O LEU A 29 -0.455 1.165 -4.639 1.00 0.00 O ATOM 459 CB LEU A 29 1.552 3.503 -5.794 1.00 0.00 C ATOM 460 CG LEU A 29 2.218 3.112 -4.474 1.00 0.00 C ATOM 461 CD1 LEU A 29 3.018 1.829 -4.632 1.00 0.00 C ATOM 462 CD2 LEU A 29 3.109 4.238 -3.986 1.00 0.00 C ATOM 0 H LEU A 29 0.265 3.896 -7.870 1.00 0.00 H new ATOM 0 HA LEU A 29 1.147 1.550 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.331 3.700 -6.531 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.009 4.437 -5.646 1.00 0.00 H new ATOM 0 HG LEU A 29 1.439 2.935 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.483 1.570 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.354 1.022 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.792 1.973 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.578 3.949 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.880 4.440 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.510 5.135 -3.832 1.00 0.00 H new ATOM 474 N LEU A 30 -1.536 3.018 -5.351 1.00 0.00 N ATOM 475 CA LEU A 30 -2.714 2.807 -4.521 1.00 0.00 C ATOM 476 C LEU A 30 -3.335 1.449 -4.802 1.00 0.00 C ATOM 477 O LEU A 30 -3.564 0.667 -3.885 1.00 0.00 O ATOM 478 CB LEU A 30 -3.748 3.908 -4.772 1.00 0.00 C ATOM 479 CG LEU A 30 -3.546 5.186 -3.963 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.478 6.283 -4.454 1.00 0.00 C ATOM 481 CD2 LEU A 30 -3.793 4.904 -2.491 1.00 0.00 C ATOM 0 H LEU A 30 -1.565 3.872 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.401 2.841 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.735 4.162 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.739 3.511 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.519 5.527 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.319 7.186 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.271 6.493 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.512 5.957 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.648 5.819 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.814 4.548 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.094 4.143 -2.144 1.00 0.00 H new ATOM 493 N GLU A 31 -3.581 1.171 -6.074 1.00 0.00 N ATOM 494 CA GLU A 31 -4.214 -0.075 -6.490 1.00 0.00 C ATOM 495 C GLU A 31 -3.451 -1.301 -5.996 1.00 0.00 C ATOM 496 O GLU A 31 -4.062 -2.272 -5.543 1.00 0.00 O ATOM 497 CB GLU A 31 -4.340 -0.104 -8.009 1.00 0.00 C ATOM 498 CG GLU A 31 -5.437 0.802 -8.528 1.00 0.00 C ATOM 499 CD GLU A 31 -6.815 0.266 -8.207 1.00 0.00 C ATOM 500 OE1 GLU A 31 -7.307 0.495 -7.084 1.00 0.00 O ATOM 501 OE2 GLU A 31 -7.414 -0.402 -9.076 1.00 0.00 O ATOM 0 H GLU A 31 -3.349 1.798 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.206 -0.112 -6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.390 0.194 -8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.537 -1.126 -8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.324 1.795 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.334 0.914 -9.607 1.00 0.00 H new ATOM 508 N LYS A 32 -2.123 -1.257 -6.083 1.00 0.00 N ATOM 509 CA LYS A 32 -1.297 -2.353 -5.585 1.00 0.00 C ATOM 510 C LYS A 32 -1.476 -2.523 -4.084 1.00 0.00 C ATOM 511 O LYS A 32 -1.821 -3.607 -3.614 1.00 0.00 O ATOM 512 CB LYS A 32 0.182 -2.128 -5.908 1.00 0.00 C ATOM 513 CG LYS A 32 0.561 -2.490 -7.334 1.00 0.00 C ATOM 514 CD LYS A 32 2.064 -2.400 -7.550 1.00 0.00 C ATOM 515 CE LYS A 32 2.474 -2.992 -8.889 1.00 0.00 C ATOM 516 NZ LYS A 32 2.183 -4.449 -8.967 1.00 0.00 N ATOM 0 H LYS A 32 -1.600 -0.481 -6.490 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.625 -3.263 -6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.427 -1.081 -5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.788 -2.718 -5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.220 -3.501 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.052 -1.821 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.377 -1.357 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.580 -2.925 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.948 -2.474 -9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.540 -2.826 -9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.682 -4.860 -9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.504 -4.914 -8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.159 -4.593 -9.080 1.00 0.00 H new ATOM 530 N LEU A 33 -1.253 -1.443 -3.340 1.00 0.00 N ATOM 531 CA LEU A 33 -1.394 -1.471 -1.889 1.00 0.00 C ATOM 532 C LEU A 33 -2.793 -1.911 -1.483 1.00 0.00 C ATOM 533 O LEU A 33 -2.944 -2.739 -0.602 1.00 0.00 O ATOM 534 CB LEU A 33 -1.075 -0.102 -1.289 1.00 0.00 C ATOM 535 CG LEU A 33 0.414 0.235 -1.199 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.607 1.676 -0.763 1.00 0.00 C ATOM 537 CD2 LEU A 33 1.109 -0.707 -0.226 1.00 0.00 C ATOM 0 H LEU A 33 -0.974 -0.538 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.681 -2.198 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.570 0.664 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.504 -0.052 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 33 0.858 0.110 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.672 1.899 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.137 2.341 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.151 1.824 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.168 -0.457 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.660 -0.605 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.997 -1.735 -0.571 1.00 0.00 H new ATOM 549 N LYS A 34 -3.807 -1.368 -2.146 1.00 0.00 N ATOM 550 CA LYS A 34 -5.198 -1.707 -1.853 1.00 0.00 C ATOM 551 C LYS A 34 -5.446 -3.211 -1.969 1.00 0.00 C ATOM 552 O LYS A 34 -5.967 -3.828 -1.043 1.00 0.00 O ATOM 553 CB LYS A 34 -6.134 -0.938 -2.789 1.00 0.00 C ATOM 554 CG LYS A 34 -6.241 0.543 -2.453 1.00 0.00 C ATOM 555 CD LYS A 34 -6.809 1.370 -3.604 1.00 0.00 C ATOM 556 CE LYS A 34 -8.264 1.039 -3.909 1.00 0.00 C ATOM 557 NZ LYS A 34 -8.413 -0.173 -4.760 1.00 0.00 N ATOM 0 H LYS A 34 -3.692 -0.686 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.405 -1.417 -0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.780 -1.046 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.127 -1.386 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.875 0.667 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.254 0.924 -2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.726 2.429 -3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.208 1.201 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.802 0.889 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.728 1.889 -4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.321 -0.133 -5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.635 -0.211 -5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.387 -1.023 -4.161 1.00 0.00 H new ATOM 571 N GLY A 35 -5.049 -3.801 -3.092 1.00 0.00 N ATOM 572 CA GLY A 35 -5.262 -5.225 -3.298 1.00 0.00 C ATOM 573 C GLY A 35 -4.452 -6.079 -2.338 1.00 0.00 C ATOM 574 O GLY A 35 -4.974 -7.014 -1.712 1.00 0.00 O ATOM 0 H GLY A 35 -4.584 -3.321 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.321 -5.452 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.996 -5.484 -4.323 1.00 0.00 H new ATOM 578 N GLU A 36 -3.184 -5.750 -2.200 1.00 0.00 N ATOM 579 CA GLU A 36 -2.294 -6.507 -1.339 1.00 0.00 C ATOM 580 C GLU A 36 -2.647 -6.294 0.135 1.00 0.00 C ATOM 581 O GLU A 36 -2.260 -7.082 0.989 1.00 0.00 O ATOM 582 CB GLU A 36 -0.841 -6.126 -1.619 1.00 0.00 C ATOM 583 CG GLU A 36 -0.409 -6.398 -3.057 1.00 0.00 C ATOM 584 CD GLU A 36 -0.550 -7.858 -3.460 1.00 0.00 C ATOM 585 OE1 GLU A 36 -1.694 -8.331 -3.636 1.00 0.00 O ATOM 586 OE2 GLU A 36 0.483 -8.547 -3.601 1.00 0.00 O ATOM 0 H GLU A 36 -2.744 -4.961 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.419 -7.568 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.702 -5.067 -1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.191 -6.680 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.005 -5.783 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.630 -6.092 -3.181 1.00 0.00 H new ATOM 593 N LEU A 37 -3.379 -5.225 0.422 1.00 0.00 N ATOM 594 CA LEU A 37 -3.825 -4.938 1.779 1.00 0.00 C ATOM 595 C LEU A 37 -5.138 -5.657 2.083 1.00 0.00 C ATOM 596 O LEU A 37 -5.301 -6.230 3.158 1.00 0.00 O ATOM 597 CB LEU A 37 -3.996 -3.429 1.971 1.00 0.00 C ATOM 598 CG LEU A 37 -4.492 -2.981 3.343 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.530 -3.418 4.437 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.671 -1.472 3.364 1.00 0.00 C ATOM 0 H LEU A 37 -3.678 -4.539 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.066 -5.301 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.037 -2.947 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.694 -3.064 1.217 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.455 -3.454 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.905 -3.087 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.444 -4.505 4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.550 -2.976 4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.025 -1.161 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.717 -0.989 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.400 -1.181 2.607 1.00 0.00 H new ATOM 612 N GLU A 38 -6.064 -5.639 1.125 1.00 0.00 N ATOM 613 CA GLU A 38 -7.383 -6.243 1.319 1.00 0.00 C ATOM 614 C GLU A 38 -7.282 -7.756 1.501 1.00 0.00 C ATOM 615 O GLU A 38 -8.173 -8.380 2.081 1.00 0.00 O ATOM 616 CB GLU A 38 -8.313 -5.925 0.143 1.00 0.00 C ATOM 617 CG GLU A 38 -7.807 -6.455 -1.186 1.00 0.00 C ATOM 618 CD GLU A 38 -8.780 -6.246 -2.321 1.00 0.00 C ATOM 619 OE1 GLU A 38 -9.036 -5.082 -2.691 1.00 0.00 O ATOM 620 OE2 GLU A 38 -9.297 -7.250 -2.851 1.00 0.00 O ATOM 0 H GLU A 38 -5.926 -5.214 0.208 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.803 -5.812 2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.297 -6.348 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.439 -4.845 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.864 -5.965 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.597 -7.520 -1.088 1.00 0.00 H new ATOM 627 N LYS A 39 -6.213 -8.355 0.985 1.00 0.00 N ATOM 628 CA LYS A 39 -6.006 -9.789 1.162 1.00 0.00 C ATOM 629 C LYS A 39 -5.396 -10.101 2.532 1.00 0.00 C ATOM 630 O LYS A 39 -5.305 -11.263 2.922 1.00 0.00 O ATOM 631 CB LYS A 39 -5.129 -10.357 0.043 1.00 0.00 C ATOM 632 CG LYS A 39 -3.688 -9.884 0.082 1.00 0.00 C ATOM 633 CD LYS A 39 -2.893 -10.451 -1.077 1.00 0.00 C ATOM 634 CE LYS A 39 -1.420 -10.117 -0.948 1.00 0.00 C ATOM 635 NZ LYS A 39 -0.629 -10.644 -2.088 1.00 0.00 N ATOM 0 H LYS A 39 -5.487 -7.879 0.449 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.983 -10.269 1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.144 -11.445 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.564 -10.083 -0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.659 -8.795 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.229 -10.186 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.021 -11.533 -1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.278 -10.052 -2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.297 -9.035 -0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.034 -10.532 -0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.117 -11.499 -1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.268 -10.880 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.053 -9.923 -2.400 1.00 0.00 H new ATOM 649 N ILE A 40 -4.984 -9.065 3.257 1.00 0.00 N ATOM 650 CA ILE A 40 -4.453 -9.228 4.610 1.00 0.00 C ATOM 651 C ILE A 40 -5.585 -9.085 5.630 1.00 0.00 C ATOM 652 O ILE A 40 -6.537 -8.339 5.403 1.00 0.00 O ATOM 653 CB ILE A 40 -3.313 -8.201 4.903 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.940 -8.814 4.611 1.00 0.00 C ATOM 655 CG2 ILE A 40 -3.349 -7.685 6.337 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.663 -9.063 3.146 1.00 0.00 C ATOM 0 H ILE A 40 -5.007 -8.099 2.930 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.022 -10.226 4.692 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.482 -7.353 4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.169 -8.152 5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.856 -9.758 5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.536 -6.975 6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.303 -7.190 6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.234 -8.521 7.027 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.670 -9.498 3.032 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.408 -9.751 2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.711 -8.120 2.601 1.00 0.00 H new ATOM 668 N SER A 41 -5.496 -9.819 6.736 1.00 0.00 N ATOM 669 CA SER A 41 -6.523 -9.772 7.766 1.00 0.00 C ATOM 670 C SER A 41 -6.581 -8.385 8.406 1.00 0.00 C ATOM 671 O SER A 41 -5.558 -7.832 8.821 1.00 0.00 O ATOM 672 CB SER A 41 -6.243 -10.838 8.826 1.00 0.00 C ATOM 673 OG SER A 41 -6.168 -12.130 8.242 1.00 0.00 O ATOM 0 H SER A 41 -4.723 -10.452 6.939 1.00 0.00 H new ATOM 0 HA SER A 41 -7.490 -9.974 7.307 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.307 -10.611 9.337 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.030 -10.821 9.580 1.00 0.00 H new ATOM 0 HG SER A 41 -5.987 -12.794 8.939 1.00 0.00 H new ATOM 679 N PHE A 42 -7.787 -7.836 8.498 1.00 0.00 N ATOM 680 CA PHE A 42 -7.981 -6.478 9.002 1.00 0.00 C ATOM 681 C PHE A 42 -7.687 -6.390 10.496 1.00 0.00 C ATOM 682 O PHE A 42 -7.592 -5.302 11.062 1.00 0.00 O ATOM 683 CB PHE A 42 -9.406 -6.003 8.706 1.00 0.00 C ATOM 684 CG PHE A 42 -9.736 -5.987 7.236 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.247 -4.983 6.414 1.00 0.00 C ATOM 686 CD2 PHE A 42 -10.530 -6.978 6.679 1.00 0.00 C ATOM 687 CE1 PHE A 42 -9.543 -4.970 5.062 1.00 0.00 C ATOM 688 CE2 PHE A 42 -10.829 -6.968 5.329 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.334 -5.963 4.521 1.00 0.00 C ATOM 0 H PHE A 42 -8.649 -8.311 8.230 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.276 -5.824 8.488 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -10.113 -6.652 9.223 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.539 -5.000 9.112 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.629 -4.203 6.833 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.919 -7.766 7.306 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.155 -4.184 4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.449 -7.745 4.907 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.566 -5.954 3.466 1.00 0.00 H new ATOM 699 N SER A 43 -7.536 -7.540 11.126 1.00 0.00 N ATOM 700 CA SER A 43 -7.183 -7.604 12.531 1.00 0.00 C ATOM 701 C SER A 43 -5.664 -7.608 12.718 1.00 0.00 C ATOM 702 O SER A 43 -5.163 -7.391 13.823 1.00 0.00 O ATOM 703 CB SER A 43 -7.797 -8.860 13.145 1.00 0.00 C ATOM 704 OG SER A 43 -7.739 -9.944 12.226 1.00 0.00 O ATOM 0 H SER A 43 -7.654 -8.450 10.681 1.00 0.00 H new ATOM 0 HA SER A 43 -7.576 -6.720 13.034 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.265 -9.122 14.059 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.833 -8.667 13.423 1.00 0.00 H new ATOM 0 HG SER A 43 -8.135 -10.742 12.635 1.00 0.00 H new ATOM 710 N ASP A 44 -4.937 -7.842 11.631 1.00 0.00 N ATOM 711 CA ASP A 44 -3.485 -7.960 11.701 1.00 0.00 C ATOM 712 C ASP A 44 -2.810 -6.657 11.299 1.00 0.00 C ATOM 713 O ASP A 44 -1.789 -6.278 11.869 1.00 0.00 O ATOM 714 CB ASP A 44 -2.995 -9.098 10.805 1.00 0.00 C ATOM 715 CG ASP A 44 -1.516 -9.378 10.987 1.00 0.00 C ATOM 716 OD1 ASP A 44 -1.156 -10.062 11.965 1.00 0.00 O ATOM 717 OD2 ASP A 44 -0.704 -8.919 10.151 1.00 0.00 O ATOM 0 H ASP A 44 -5.327 -7.953 10.695 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.219 -8.182 12.734 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.563 -10.002 11.026 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.189 -8.846 9.762 1.00 0.00 H new ATOM 722 N LEU A 45 -3.384 -5.974 10.317 1.00 0.00 N ATOM 723 CA LEU A 45 -2.828 -4.710 9.842 1.00 0.00 C ATOM 724 C LEU A 45 -2.794 -3.663 10.965 1.00 0.00 C ATOM 725 O LEU A 45 -3.561 -3.754 11.927 1.00 0.00 O ATOM 726 CB LEU A 45 -3.611 -4.208 8.615 1.00 0.00 C ATOM 727 CG LEU A 45 -5.140 -4.232 8.726 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.651 -3.074 9.567 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.769 -4.197 7.343 1.00 0.00 C ATOM 0 H LEU A 45 -4.232 -6.271 9.834 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.796 -4.879 9.533 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.300 -3.185 8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.321 -4.811 7.755 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.426 -5.159 9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.738 -3.119 9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.230 -3.139 10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.352 -2.131 9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.855 -4.215 7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.464 -3.286 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.440 -5.065 6.772 1.00 0.00 H new ATOM 741 N PRO A 46 -1.887 -2.670 10.864 1.00 0.00 N ATOM 742 CA PRO A 46 -1.679 -1.659 11.912 1.00 0.00 C ATOM 743 C PRO A 46 -2.954 -0.914 12.306 1.00 0.00 C ATOM 744 O PRO A 46 -3.861 -0.731 11.489 1.00 0.00 O ATOM 745 CB PRO A 46 -0.666 -0.683 11.295 1.00 0.00 C ATOM 746 CG PRO A 46 -0.645 -0.997 9.837 1.00 0.00 C ATOM 747 CD PRO A 46 -0.984 -2.453 9.723 1.00 0.00 C ATOM 0 HA PRO A 46 -1.338 -2.128 12.835 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.962 0.351 11.469 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.322 -0.811 11.738 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.366 -0.385 9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.335 -0.790 9.407 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.469 -2.682 8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.095 -3.081 9.786 1.00 0.00 H new ATOM 755 N LEU A 47 -2.995 -0.469 13.562 1.00 0.00 N ATOM 756 CA LEU A 47 -4.146 0.244 14.111 1.00 0.00 C ATOM 757 C LEU A 47 -4.468 1.487 13.284 1.00 0.00 C ATOM 758 O LEU A 47 -5.625 1.903 13.203 1.00 0.00 O ATOM 759 CB LEU A 47 -3.875 0.629 15.569 1.00 0.00 C ATOM 760 CG LEU A 47 -5.047 1.290 16.303 1.00 0.00 C ATOM 761 CD1 LEU A 47 -6.237 0.345 16.368 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.628 1.712 17.703 1.00 0.00 C ATOM 0 H LEU A 47 -2.231 -0.593 14.226 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.011 -0.418 14.072 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.585 -0.268 16.116 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.023 1.308 15.595 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.343 2.180 15.747 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.060 0.831 16.893 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.553 0.088 15.357 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.953 -0.562 16.901 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.472 2.180 18.210 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.306 0.836 18.266 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.805 2.423 17.637 1.00 0.00 H new ATOM 774 N GLU A 48 -3.440 2.072 12.674 1.00 0.00 N ATOM 775 CA GLU A 48 -3.617 3.186 11.748 1.00 0.00 C ATOM 776 C GLU A 48 -4.699 2.868 10.723 1.00 0.00 C ATOM 777 O GLU A 48 -5.647 3.633 10.538 1.00 0.00 O ATOM 778 CB GLU A 48 -2.306 3.477 11.015 1.00 0.00 C ATOM 779 CG GLU A 48 -1.221 4.064 11.897 1.00 0.00 C ATOM 780 CD GLU A 48 -1.537 5.475 12.340 1.00 0.00 C ATOM 781 OE1 GLU A 48 -1.171 6.424 11.618 1.00 0.00 O ATOM 782 OE2 GLU A 48 -2.157 5.640 13.406 1.00 0.00 O ATOM 0 H GLU A 48 -2.469 1.790 12.806 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.917 4.060 12.326 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.938 2.552 10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.506 4.167 10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.089 3.432 12.775 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.275 4.060 11.356 1.00 0.00 H new ATOM 789 N LEU A 49 -4.566 1.710 10.093 1.00 0.00 N ATOM 790 CA LEU A 49 -5.468 1.311 9.023 1.00 0.00 C ATOM 791 C LEU A 49 -6.830 0.918 9.588 1.00 0.00 C ATOM 792 O LEU A 49 -7.846 1.028 8.912 1.00 0.00 O ATOM 793 CB LEU A 49 -4.864 0.144 8.239 1.00 0.00 C ATOM 794 CG LEU A 49 -3.411 0.334 7.791 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.969 -0.834 6.926 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.232 1.648 7.047 1.00 0.00 C ATOM 0 H LEU A 49 -3.838 1.027 10.306 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.606 2.157 8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.922 -0.754 8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.478 -0.035 7.356 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.784 0.367 8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.935 -0.686 6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.047 -1.759 7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.608 -0.896 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.191 1.754 6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.872 1.656 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.505 2.476 7.701 1.00 0.00 H new ATOM 808 N GLN A 50 -6.839 0.478 10.842 1.00 0.00 N ATOM 809 CA GLN A 50 -8.075 0.079 11.505 1.00 0.00 C ATOM 810 C GLN A 50 -8.948 1.296 11.809 1.00 0.00 C ATOM 811 O GLN A 50 -10.176 1.228 11.731 1.00 0.00 O ATOM 812 CB GLN A 50 -7.767 -0.687 12.795 1.00 0.00 C ATOM 813 CG GLN A 50 -7.020 -1.990 12.562 1.00 0.00 C ATOM 814 CD GLN A 50 -6.682 -2.720 13.848 1.00 0.00 C ATOM 815 OE1 GLN A 50 -7.393 -2.615 14.849 1.00 0.00 O ATOM 816 NE2 GLN A 50 -5.588 -3.464 13.830 1.00 0.00 N ATOM 0 H GLN A 50 -6.003 0.389 11.420 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.625 -0.577 10.830 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.176 -0.051 13.454 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.702 -0.901 13.313 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.625 -2.641 11.930 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.099 -1.782 12.017 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.026 -3.525 12.981 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.306 -3.977 14.665 1.00 0.00 H new ATOM 825 N LYS A 51 -8.311 2.408 12.165 1.00 0.00 N ATOM 826 CA LYS A 51 -9.031 3.644 12.433 1.00 0.00 C ATOM 827 C LYS A 51 -9.506 4.289 11.136 1.00 0.00 C ATOM 828 O LYS A 51 -10.515 4.993 11.116 1.00 0.00 O ATOM 829 CB LYS A 51 -8.132 4.599 13.206 1.00 0.00 C ATOM 830 CG LYS A 51 -7.598 3.984 14.484 1.00 0.00 C ATOM 831 CD LYS A 51 -6.555 4.862 15.136 1.00 0.00 C ATOM 832 CE LYS A 51 -5.396 5.150 14.198 1.00 0.00 C ATOM 833 NZ LYS A 51 -4.356 5.991 14.841 1.00 0.00 N ATOM 0 H LYS A 51 -7.299 2.476 12.274 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.912 3.415 13.033 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.296 4.899 12.574 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.690 5.504 13.447 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.421 3.819 15.180 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.166 3.008 14.265 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.013 5.801 15.447 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.182 4.375 16.037 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.951 4.210 13.872 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.768 5.653 13.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.428 5.775 14.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.579 6.995 14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.331 5.792 15.862 1.00 0.00 H new ATOM 847 N LEU A 52 -8.771 4.051 10.059 1.00 0.00 N ATOM 848 CA LEU A 52 -9.163 4.544 8.745 1.00 0.00 C ATOM 849 C LEU A 52 -10.387 3.785 8.232 1.00 0.00 C ATOM 850 O LEU A 52 -10.397 2.558 8.175 1.00 0.00 O ATOM 851 CB LEU A 52 -7.994 4.423 7.770 1.00 0.00 C ATOM 852 CG LEU A 52 -6.778 5.276 8.134 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.590 4.919 7.265 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.105 6.752 8.000 1.00 0.00 C ATOM 0 H LEU A 52 -7.900 3.520 10.068 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.433 5.597 8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.687 3.378 7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.336 4.706 6.774 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.517 5.070 9.172 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.737 5.539 7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.337 3.868 7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.840 5.093 6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.228 7.344 8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.394 6.969 6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.928 7.005 8.669 1.00 0.00 H new ATOM 866 N ASP A 53 -11.415 4.530 7.853 1.00 0.00 N ATOM 867 CA ASP A 53 -12.709 3.947 7.516 1.00 0.00 C ATOM 868 C ASP A 53 -12.739 3.428 6.079 1.00 0.00 C ATOM 869 O ASP A 53 -13.594 2.616 5.724 1.00 0.00 O ATOM 870 CB ASP A 53 -13.819 4.988 7.703 1.00 0.00 C ATOM 871 CG ASP A 53 -13.980 5.900 6.497 1.00 0.00 C ATOM 872 OD1 ASP A 53 -12.998 6.566 6.109 1.00 0.00 O ATOM 873 OD2 ASP A 53 -15.089 5.949 5.927 1.00 0.00 O ATOM 0 H ASP A 53 -11.379 5.546 7.770 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.873 3.103 8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.762 4.476 7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.600 5.592 8.583 1.00 0.00 H new ATOM 878 N SER A 54 -11.812 3.900 5.260 1.00 0.00 N ATOM 879 CA SER A 54 -11.800 3.551 3.848 1.00 0.00 C ATOM 880 C SER A 54 -10.511 2.817 3.481 1.00 0.00 C ATOM 881 O SER A 54 -9.423 3.212 3.899 1.00 0.00 O ATOM 882 CB SER A 54 -11.952 4.819 3.004 1.00 0.00 C ATOM 883 OG SER A 54 -13.106 5.555 3.394 1.00 0.00 O ATOM 0 H SER A 54 -11.059 4.525 5.548 1.00 0.00 H new ATOM 0 HA SER A 54 -12.637 2.883 3.644 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.064 5.442 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.025 4.552 1.950 1.00 0.00 H new ATOM 0 HG SER A 54 -13.182 6.361 2.842 1.00 0.00 H new ATOM 889 N LEU A 55 -10.646 1.747 2.701 1.00 0.00 N ATOM 890 CA LEU A 55 -9.495 0.956 2.261 1.00 0.00 C ATOM 891 C LEU A 55 -8.490 1.805 1.464 1.00 0.00 C ATOM 892 O LEU A 55 -7.291 1.753 1.740 1.00 0.00 O ATOM 893 CB LEU A 55 -9.956 -0.248 1.430 1.00 0.00 C ATOM 894 CG LEU A 55 -8.840 -1.204 0.996 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.221 -1.889 2.205 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.370 -2.233 0.008 1.00 0.00 C ATOM 0 H LEU A 55 -11.544 1.405 2.359 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.985 0.595 3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.690 -0.810 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.466 0.119 0.539 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.064 -0.622 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.431 -2.564 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.801 -1.137 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.987 -2.457 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.563 -2.903 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.167 -2.811 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.761 -1.724 -0.873 1.00 0.00 H new ATOM 908 N PRO A 56 -8.943 2.595 0.458 1.00 0.00 N ATOM 909 CA PRO A 56 -8.057 3.506 -0.277 1.00 0.00 C ATOM 910 C PRO A 56 -7.320 4.471 0.651 1.00 0.00 C ATOM 911 O PRO A 56 -6.154 4.789 0.428 1.00 0.00 O ATOM 912 CB PRO A 56 -9.001 4.275 -1.214 1.00 0.00 C ATOM 913 CG PRO A 56 -10.375 4.004 -0.705 1.00 0.00 C ATOM 914 CD PRO A 56 -10.315 2.647 -0.071 1.00 0.00 C ATOM 0 HA PRO A 56 -7.275 2.962 -0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.782 5.343 -1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.891 3.938 -2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.680 4.760 0.018 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.104 4.025 -1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.058 2.536 0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.500 1.854 -0.795 1.00 0.00 H new ATOM 922 N ALA A 57 -8.001 4.917 1.703 1.00 0.00 N ATOM 923 CA ALA A 57 -7.403 5.821 2.679 1.00 0.00 C ATOM 924 C ALA A 57 -6.273 5.130 3.435 1.00 0.00 C ATOM 925 O ALA A 57 -5.256 5.749 3.751 1.00 0.00 O ATOM 926 CB ALA A 57 -8.458 6.334 3.649 1.00 0.00 C ATOM 0 H ALA A 57 -8.970 4.666 1.901 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.984 6.672 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.993 7.007 4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.230 6.870 3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.908 5.492 4.176 1.00 0.00 H new ATOM 932 N GLN A 58 -6.456 3.842 3.713 1.00 0.00 N ATOM 933 CA GLN A 58 -5.431 3.041 4.371 1.00 0.00 C ATOM 934 C GLN A 58 -4.167 3.000 3.522 1.00 0.00 C ATOM 935 O GLN A 58 -3.070 3.299 3.999 1.00 0.00 O ATOM 936 CB GLN A 58 -5.943 1.619 4.621 1.00 0.00 C ATOM 937 CG GLN A 58 -7.137 1.549 5.559 1.00 0.00 C ATOM 938 CD GLN A 58 -7.626 0.129 5.771 1.00 0.00 C ATOM 939 OE1 GLN A 58 -6.856 -0.823 5.691 1.00 0.00 O ATOM 940 NE2 GLN A 58 -8.910 -0.020 6.054 1.00 0.00 N ATOM 0 H GLN A 58 -7.310 3.330 3.491 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.196 3.501 5.331 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.217 1.169 3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.133 1.019 5.035 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.865 1.984 6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.949 2.153 5.154 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.518 0.797 6.111 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.292 -0.952 6.215 1.00 0.00 H new ATOM 949 N ALA A 59 -4.337 2.658 2.253 1.00 0.00 N ATOM 950 CA ALA A 59 -3.223 2.593 1.316 1.00 0.00 C ATOM 951 C ALA A 59 -2.619 3.975 1.088 1.00 0.00 C ATOM 952 O ALA A 59 -1.409 4.118 0.917 1.00 0.00 O ATOM 953 CB ALA A 59 -3.681 1.988 0.000 1.00 0.00 C ATOM 0 H ALA A 59 -5.241 2.420 1.846 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.450 1.956 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.840 1.944 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.060 0.981 0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.472 2.604 -0.428 1.00 0.00 H new ATOM 959 N GLN A 60 -3.468 4.996 1.096 1.00 0.00 N ATOM 960 CA GLN A 60 -3.019 6.366 0.891 1.00 0.00 C ATOM 961 C GLN A 60 -2.165 6.839 2.062 1.00 0.00 C ATOM 962 O GLN A 60 -1.183 7.552 1.867 1.00 0.00 O ATOM 963 CB GLN A 60 -4.213 7.304 0.690 1.00 0.00 C ATOM 964 CG GLN A 60 -3.823 8.729 0.327 1.00 0.00 C ATOM 965 CD GLN A 60 -3.003 8.809 -0.947 1.00 0.00 C ATOM 966 OE1 GLN A 60 -3.547 8.933 -2.041 1.00 0.00 O ATOM 967 NE2 GLN A 60 -1.687 8.740 -0.811 1.00 0.00 N ATOM 0 H GLN A 60 -4.473 4.900 1.243 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.407 6.387 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.851 6.901 -0.096 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.807 7.322 1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.725 9.329 0.211 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.254 9.165 1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.275 8.637 0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.086 8.790 -1.634 1.00 0.00 H new ATOM 976 N HIS A 61 -2.535 6.434 3.273 1.00 0.00 N ATOM 977 CA HIS A 61 -1.774 6.800 4.463 1.00 0.00 C ATOM 978 C HIS A 61 -0.441 6.059 4.492 1.00 0.00 C ATOM 979 O HIS A 61 0.530 6.536 5.078 1.00 0.00 O ATOM 980 CB HIS A 61 -2.585 6.515 5.732 1.00 0.00 C ATOM 981 CG HIS A 61 -1.874 6.850 7.018 1.00 0.00 C ATOM 982 ND1 HIS A 61 -1.214 8.044 7.241 1.00 0.00 N ATOM 983 CD2 HIS A 61 -1.729 6.131 8.157 1.00 0.00 C ATOM 984 CE1 HIS A 61 -0.699 8.038 8.456 1.00 0.00 C ATOM 985 NE2 HIS A 61 -0.997 6.889 9.035 1.00 0.00 N ATOM 0 H HIS A 61 -3.354 5.854 3.456 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.569 7.870 4.427 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.515 7.081 5.688 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.855 5.459 5.746 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.119 5.141 8.340 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.129 8.839 8.902 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.727 6.611 9.979 1.00 0.00 H new ATOM 994 N LEU A 62 -0.401 4.892 3.857 1.00 0.00 N ATOM 995 CA LEU A 62 0.847 4.158 3.690 1.00 0.00 C ATOM 996 C LEU A 62 1.845 5.006 2.921 1.00 0.00 C ATOM 997 O LEU A 62 2.955 5.258 3.391 1.00 0.00 O ATOM 998 CB LEU A 62 0.604 2.839 2.950 1.00 0.00 C ATOM 999 CG LEU A 62 -0.083 1.755 3.772 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.419 0.552 2.903 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.814 1.344 4.922 1.00 0.00 C ATOM 0 H LEU A 62 -1.217 4.435 3.450 1.00 0.00 H new ATOM 0 HA LEU A 62 1.251 3.931 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.001 3.042 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.562 2.455 2.599 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.016 2.153 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.909 -0.210 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.087 0.860 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.497 0.143 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.321 0.569 5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.755 0.959 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.012 2.208 5.556 1.00 0.00 H new ATOM 1013 N ILE A 63 1.418 5.457 1.745 1.00 0.00 N ATOM 1014 CA ILE A 63 2.223 6.331 0.897 1.00 0.00 C ATOM 1015 C ILE A 63 2.486 7.658 1.599 1.00 0.00 C ATOM 1016 O ILE A 63 3.565 8.235 1.483 1.00 0.00 O ATOM 1017 CB ILE A 63 1.504 6.612 -0.441 1.00 0.00 C ATOM 1018 CG1 ILE A 63 1.117 5.301 -1.128 1.00 0.00 C ATOM 1019 CG2 ILE A 63 2.385 7.451 -1.355 1.00 0.00 C ATOM 1020 CD1 ILE A 63 0.203 5.488 -2.323 1.00 0.00 C ATOM 0 H ILE A 63 0.505 5.227 1.353 1.00 0.00 H new ATOM 0 HA ILE A 63 3.167 5.823 0.701 1.00 0.00 H new ATOM 0 HB ILE A 63 0.593 7.173 -0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.023 4.789 -1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.625 4.652 -0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.862 7.639 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.613 8.400 -0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.313 6.916 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.029 4.516 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.720 5.972 -2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.700 6.110 -3.067 1.00 0.00 H new ATOM 1032 N ASP A 64 1.476 8.124 2.319 1.00 0.00 N ATOM 1033 CA ASP A 64 1.539 9.382 3.061 1.00 0.00 C ATOM 1034 C ASP A 64 2.770 9.443 3.963 1.00 0.00 C ATOM 1035 O ASP A 64 3.504 10.434 3.955 1.00 0.00 O ATOM 1036 CB ASP A 64 0.255 9.549 3.876 1.00 0.00 C ATOM 1037 CG ASP A 64 0.323 10.659 4.898 1.00 0.00 C ATOM 1038 OD1 ASP A 64 0.534 11.826 4.508 1.00 0.00 O ATOM 1039 OD2 ASP A 64 0.138 10.367 6.096 1.00 0.00 O ATOM 0 H ASP A 64 0.583 7.640 2.408 1.00 0.00 H new ATOM 0 HA ASP A 64 1.627 10.204 2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.574 9.744 3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.034 8.611 4.386 1.00 0.00 H new ATOM 1044 N THR A 65 3.004 8.392 4.732 1.00 0.00 N ATOM 1045 CA THR A 65 4.193 8.331 5.564 1.00 0.00 C ATOM 1046 C THR A 65 5.218 7.365 4.972 1.00 0.00 C ATOM 1047 O THR A 65 6.227 7.803 4.420 1.00 0.00 O ATOM 1048 CB THR A 65 3.853 7.926 7.016 1.00 0.00 C ATOM 1049 OG1 THR A 65 3.047 6.737 7.034 1.00 0.00 O ATOM 1050 CG2 THR A 65 3.119 9.050 7.730 1.00 0.00 C ATOM 0 H THR A 65 2.393 7.578 4.797 1.00 0.00 H new ATOM 0 HA THR A 65 4.625 9.332 5.588 1.00 0.00 H new ATOM 0 HB THR A 65 4.790 7.728 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.843 6.494 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.889 8.744 8.751 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.748 9.940 7.751 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.193 9.273 7.201 1.00 0.00 H new ATOM 1058 N SER A 66 4.904 6.067 5.083 1.00 0.00 N ATOM 1059 CA SER A 66 5.731 4.928 4.638 1.00 0.00 C ATOM 1060 C SER A 66 5.560 3.782 5.626 1.00 0.00 C ATOM 1061 O SER A 66 5.734 3.963 6.831 1.00 0.00 O ATOM 1062 CB SER A 66 7.231 5.239 4.517 1.00 0.00 C ATOM 1063 OG SER A 66 7.527 5.935 3.313 1.00 0.00 O ATOM 0 H SER A 66 4.026 5.764 5.505 1.00 0.00 H new ATOM 0 HA SER A 66 5.382 4.674 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.549 5.837 5.371 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.799 4.310 4.550 1.00 0.00 H new ATOM 0 HG SER A 66 7.310 6.884 3.422 1.00 0.00 H new ATOM 1069 N CYS A 67 5.209 2.618 5.117 1.00 0.00 N ATOM 1070 CA CYS A 67 5.108 1.421 5.931 1.00 0.00 C ATOM 1071 C CYS A 67 5.303 0.219 5.030 1.00 0.00 C ATOM 1072 O CYS A 67 4.574 0.042 4.063 1.00 0.00 O ATOM 1073 CB CYS A 67 3.753 1.351 6.641 1.00 0.00 C ATOM 1074 SG CYS A 67 3.571 -0.054 7.765 1.00 0.00 S ATOM 0 H CYS A 67 4.986 2.474 4.132 1.00 0.00 H new ATOM 0 HA CYS A 67 5.876 1.437 6.705 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.603 2.273 7.203 1.00 0.00 H new ATOM 0 HB3 CYS A 67 2.965 1.304 5.890 1.00 0.00 H new ATOM 0 HG CYS A 67 2.394 -0.020 8.315 1.00 0.00 H new ATOM 1080 N GLU A 68 6.271 -0.612 5.357 1.00 0.00 N ATOM 1081 CA GLU A 68 6.694 -1.657 4.444 1.00 0.00 C ATOM 1082 C GLU A 68 5.943 -2.939 4.745 1.00 0.00 C ATOM 1083 O GLU A 68 5.899 -3.400 5.887 1.00 0.00 O ATOM 1084 CB GLU A 68 8.207 -1.838 4.554 1.00 0.00 C ATOM 1085 CG GLU A 68 8.953 -0.531 4.328 1.00 0.00 C ATOM 1086 CD GLU A 68 10.432 -0.631 4.606 1.00 0.00 C ATOM 1087 OE1 GLU A 68 10.814 -0.730 5.786 1.00 0.00 O ATOM 1088 OE2 GLU A 68 11.225 -0.597 3.643 1.00 0.00 O ATOM 0 H GLU A 68 6.778 -0.586 6.242 1.00 0.00 H new ATOM 0 HA GLU A 68 6.462 -1.379 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.455 -2.232 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.538 -2.576 3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.805 -0.210 3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.522 0.240 4.966 1.00 0.00 H new ATOM 1095 N LEU A 69 5.366 -3.513 3.703 1.00 0.00 N ATOM 1096 CA LEU A 69 4.334 -4.521 3.860 1.00 0.00 C ATOM 1097 C LEU A 69 4.768 -5.864 3.292 1.00 0.00 C ATOM 1098 O LEU A 69 5.212 -5.955 2.141 1.00 0.00 O ATOM 1099 CB LEU A 69 3.061 -4.034 3.150 1.00 0.00 C ATOM 1100 CG LEU A 69 1.836 -4.948 3.248 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.352 -5.050 4.685 1.00 0.00 C ATOM 1102 CD2 LEU A 69 0.724 -4.435 2.347 1.00 0.00 C ATOM 0 H LEU A 69 5.597 -3.296 2.734 1.00 0.00 H new ATOM 0 HA LEU A 69 4.145 -4.666 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.794 -3.059 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.293 -3.885 2.095 1.00 0.00 H new ATOM 0 HG LEU A 69 2.124 -5.945 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.481 -5.704 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.147 -5.460 5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.080 -4.059 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.141 -5.093 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.442 -3.428 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.072 -4.416 1.314 1.00 0.00 H new ATOM 1114 N ASP A 70 4.658 -6.897 4.118 1.00 0.00 N ATOM 1115 CA ASP A 70 4.823 -8.264 3.656 1.00 0.00 C ATOM 1116 C ASP A 70 3.514 -8.713 3.034 1.00 0.00 C ATOM 1117 O ASP A 70 2.488 -8.783 3.712 1.00 0.00 O ATOM 1118 CB ASP A 70 5.206 -9.191 4.812 1.00 0.00 C ATOM 1119 CG ASP A 70 5.385 -10.634 4.374 1.00 0.00 C ATOM 1120 OD1 ASP A 70 4.370 -11.344 4.215 1.00 0.00 O ATOM 1121 OD2 ASP A 70 6.544 -11.066 4.204 1.00 0.00 O ATOM 0 H ASP A 70 4.455 -6.811 5.114 1.00 0.00 H new ATOM 0 HA ASP A 70 5.627 -8.308 2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.132 -8.836 5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.435 -9.142 5.581 1.00 0.00 H new ATOM 1126 N VAL A 71 3.536 -8.989 1.746 1.00 0.00 N ATOM 1127 CA VAL A 71 2.307 -9.236 1.014 1.00 0.00 C ATOM 1128 C VAL A 71 2.144 -10.707 0.655 1.00 0.00 C ATOM 1129 O VAL A 71 1.487 -11.047 -0.331 1.00 0.00 O ATOM 1130 CB VAL A 71 2.240 -8.362 -0.255 1.00 0.00 C ATOM 1131 CG1 VAL A 71 1.989 -6.915 0.120 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.524 -8.477 -1.051 1.00 0.00 C ATOM 0 H VAL A 71 4.386 -9.048 1.185 1.00 0.00 H new ATOM 0 HA VAL A 71 1.481 -8.964 1.671 1.00 0.00 H new ATOM 0 HB VAL A 71 1.416 -8.717 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.944 -6.307 -0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.044 -6.837 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.799 -6.558 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.457 -7.853 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.363 -8.146 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.678 -9.515 -1.346 1.00 0.00 H new ATOM 1142 N GLY A 72 2.728 -11.576 1.469 1.00 0.00 N ATOM 1143 CA GLY A 72 2.531 -13.001 1.293 1.00 0.00 C ATOM 1144 C GLY A 72 3.425 -13.589 0.225 1.00 0.00 C ATOM 1145 O GLY A 72 4.108 -12.858 -0.493 1.00 0.00 O ATOM 0 H GLY A 72 3.335 -11.320 2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.720 -13.509 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.489 -13.190 1.033 1.00 0.00 H new ATOM 1149 N ALA A 73 3.440 -14.921 0.150 1.00 0.00 N ATOM 1150 CA ALA A 73 4.226 -15.656 -0.846 1.00 0.00 C ATOM 1151 C ALA A 73 5.728 -15.436 -0.660 1.00 0.00 C ATOM 1152 O ALA A 73 6.537 -15.903 -1.462 1.00 0.00 O ATOM 1153 CB ALA A 73 3.803 -15.275 -2.258 1.00 0.00 C ATOM 0 H ALA A 73 2.907 -15.522 0.778 1.00 0.00 H new ATOM 0 HA ALA A 73 4.027 -16.717 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.400 -15.833 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.748 -15.512 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.957 -14.207 -2.408 1.00 0.00 H new ATOM 1159 N GLY A 74 6.092 -14.736 0.406 1.00 0.00 N ATOM 1160 CA GLY A 74 7.482 -14.442 0.664 1.00 0.00 C ATOM 1161 C GLY A 74 7.966 -13.221 -0.094 1.00 0.00 C ATOM 1162 O GLY A 74 9.153 -12.893 -0.059 1.00 0.00 O ATOM 0 H GLY A 74 5.442 -14.366 1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.624 -14.283 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.090 -15.303 0.386 1.00 0.00 H new ATOM 1166 N LYS A 75 7.057 -12.544 -0.784 1.00 0.00 N ATOM 1167 CA LYS A 75 7.425 -11.347 -1.518 1.00 0.00 C ATOM 1168 C LYS A 75 7.102 -10.112 -0.687 1.00 0.00 C ATOM 1169 O LYS A 75 6.085 -10.063 0.008 1.00 0.00 O ATOM 1170 CB LYS A 75 6.721 -11.270 -2.885 1.00 0.00 C ATOM 1171 CG LYS A 75 5.209 -11.163 -2.805 1.00 0.00 C ATOM 1172 CD LYS A 75 4.611 -10.562 -4.071 1.00 0.00 C ATOM 1173 CE LYS A 75 3.117 -10.313 -3.912 1.00 0.00 C ATOM 1174 NZ LYS A 75 2.539 -9.546 -5.048 1.00 0.00 N ATOM 0 H LYS A 75 6.072 -12.801 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 75 8.498 -11.389 -1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.106 -10.408 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.980 -12.156 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.784 -12.153 -2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.934 -10.549 -1.947 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.115 -9.624 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.783 -11.234 -4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.601 -11.269 -3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.940 -9.769 -2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.593 -9.200 -4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.154 -8.737 -5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.465 -10.163 -5.882 1.00 0.00 H new ATOM 1188 N TYR A 76 7.982 -9.129 -0.742 1.00 0.00 N ATOM 1189 CA TYR A 76 7.792 -7.893 -0.001 1.00 0.00 C ATOM 1190 C TYR A 76 7.420 -6.767 -0.950 1.00 0.00 C ATOM 1191 O TYR A 76 7.968 -6.665 -2.048 1.00 0.00 O ATOM 1192 CB TYR A 76 9.059 -7.531 0.778 1.00 0.00 C ATOM 1193 CG TYR A 76 9.371 -8.492 1.902 1.00 0.00 C ATOM 1194 CD1 TYR A 76 10.151 -9.623 1.684 1.00 0.00 C ATOM 1195 CD2 TYR A 76 8.881 -8.271 3.181 1.00 0.00 C ATOM 1196 CE1 TYR A 76 10.431 -10.503 2.712 1.00 0.00 C ATOM 1197 CE2 TYR A 76 9.157 -9.144 4.212 1.00 0.00 C ATOM 1198 CZ TYR A 76 9.930 -10.260 3.973 1.00 0.00 C ATOM 1199 OH TYR A 76 10.201 -11.134 4.999 1.00 0.00 O ATOM 0 H TYR A 76 8.839 -9.162 -1.294 1.00 0.00 H new ATOM 0 HA TYR A 76 6.980 -8.038 0.711 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.904 -7.503 0.090 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.949 -6.527 1.189 1.00 0.00 H new ATOM 0 HD1 TYR A 76 10.544 -9.816 0.697 1.00 0.00 H new ATOM 0 HD2 TYR A 76 8.272 -7.400 3.373 1.00 0.00 H new ATOM 0 HE1 TYR A 76 11.039 -11.376 2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.769 -8.954 5.202 1.00 0.00 H new ATOM 0 HH TYR A 76 9.774 -10.815 5.822 1.00 0.00 H new ATOM 1209 N LEU A 77 6.478 -5.942 -0.530 1.00 0.00 N ATOM 1210 CA LEU A 77 6.039 -4.820 -1.335 1.00 0.00 C ATOM 1211 C LEU A 77 6.818 -3.572 -0.947 1.00 0.00 C ATOM 1212 O LEU A 77 6.686 -3.062 0.167 1.00 0.00 O ATOM 1213 CB LEU A 77 4.535 -4.606 -1.158 1.00 0.00 C ATOM 1214 CG LEU A 77 3.915 -3.516 -2.032 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.190 -3.778 -3.505 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.420 -3.444 -1.782 1.00 0.00 C ATOM 0 H LEU A 77 6.002 -6.030 0.368 1.00 0.00 H new ATOM 0 HA LEU A 77 6.230 -5.031 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.025 -5.547 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.341 -4.363 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 77 4.369 -2.561 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.738 -2.988 -4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.266 -3.794 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.763 -4.740 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.984 -2.665 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.964 -4.403 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.237 -3.211 -0.733 1.00 0.00 H new ATOM 1228 N GLN A 78 7.646 -3.100 -1.866 1.00 0.00 N ATOM 1229 CA GLN A 78 8.507 -1.960 -1.611 1.00 0.00 C ATOM 1230 C GLN A 78 8.290 -0.883 -2.667 1.00 0.00 C ATOM 1231 O GLN A 78 8.143 -1.191 -3.851 1.00 0.00 O ATOM 1232 CB GLN A 78 9.972 -2.410 -1.611 1.00 0.00 C ATOM 1233 CG GLN A 78 10.954 -1.309 -1.255 1.00 0.00 C ATOM 1234 CD GLN A 78 10.715 -0.751 0.132 1.00 0.00 C ATOM 1235 OE1 GLN A 78 9.958 0.205 0.310 1.00 0.00 O ATOM 1236 NE2 GLN A 78 11.359 -1.342 1.124 1.00 0.00 N ATOM 0 H GLN A 78 7.739 -3.494 -2.802 1.00 0.00 H new ATOM 0 HA GLN A 78 8.260 -1.542 -0.635 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.090 -3.231 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.222 -2.801 -2.597 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.970 -1.698 -1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.875 -0.505 -1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.977 -2.131 0.933 1.00 0.00 H new ATOM 0 HE22 GLN A 78 11.238 -1.009 2.081 1.00 0.00 H new ATOM 1245 N TRP A 79 8.269 0.372 -2.238 1.00 0.00 N ATOM 1246 CA TRP A 79 8.099 1.482 -3.157 1.00 0.00 C ATOM 1247 C TRP A 79 8.921 2.680 -2.693 1.00 0.00 C ATOM 1248 O TRP A 79 9.012 2.958 -1.495 1.00 0.00 O ATOM 1249 CB TRP A 79 6.614 1.869 -3.292 1.00 0.00 C ATOM 1250 CG TRP A 79 6.037 2.600 -2.107 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.842 3.949 -2.000 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.577 2.035 -0.870 1.00 0.00 C ATOM 1253 NE1 TRP A 79 5.293 4.256 -0.781 1.00 0.00 N ATOM 1254 CE2 TRP A 79 5.122 3.102 -0.066 1.00 0.00 C ATOM 1255 CE3 TRP A 79 5.508 0.736 -0.361 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 4.601 2.904 1.212 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.994 0.545 0.908 1.00 0.00 C ATOM 1258 CH2 TRP A 79 4.547 1.627 1.679 1.00 0.00 C ATOM 0 H TRP A 79 8.368 0.643 -1.260 1.00 0.00 H new ATOM 0 HA TRP A 79 8.454 1.168 -4.138 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.496 2.493 -4.178 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.032 0.963 -3.460 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.086 4.670 -2.766 1.00 0.00 H new ATOM 0 HE1 TRP A 79 5.051 5.193 -0.459 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.850 -0.104 -0.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 4.253 3.734 1.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.936 -0.455 1.312 1.00 0.00 H new ATOM 0 HH2 TRP A 79 4.151 1.443 2.667 1.00 0.00 H new ATOM 1269 N TYR A 80 9.543 3.366 -3.640 1.00 0.00 N ATOM 1270 CA TYR A 80 10.280 4.585 -3.335 1.00 0.00 C ATOM 1271 C TYR A 80 9.639 5.759 -4.047 1.00 0.00 C ATOM 1272 O TYR A 80 9.287 5.656 -5.226 1.00 0.00 O ATOM 1273 CB TYR A 80 11.738 4.495 -3.792 1.00 0.00 C ATOM 1274 CG TYR A 80 12.451 3.224 -3.409 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.531 2.809 -2.086 1.00 0.00 C ATOM 1276 CD2 TYR A 80 13.048 2.440 -4.382 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.188 1.642 -1.747 1.00 0.00 C ATOM 1278 CE2 TYR A 80 13.707 1.275 -4.053 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.774 0.878 -2.734 1.00 0.00 C ATOM 1280 OH TYR A 80 14.431 -0.287 -2.406 1.00 0.00 O ATOM 0 H TYR A 80 9.553 3.101 -4.625 1.00 0.00 H new ATOM 0 HA TYR A 80 10.254 4.719 -2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.769 4.598 -4.877 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.286 5.340 -3.375 1.00 0.00 H new ATOM 0 HD1 TYR A 80 12.073 3.407 -1.312 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.996 2.747 -5.416 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.242 1.330 -0.715 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.169 0.676 -4.824 1.00 0.00 H new ATOM 0 HH TYR A 80 14.785 -0.703 -3.220 1.00 0.00 H new ATOM 1290 N ALA A 81 9.479 6.868 -3.345 1.00 0.00 N ATOM 1291 CA ALA A 81 9.050 8.090 -3.993 1.00 0.00 C ATOM 1292 C ALA A 81 10.264 8.784 -4.587 1.00 0.00 C ATOM 1293 O ALA A 81 11.125 9.282 -3.862 1.00 0.00 O ATOM 1294 CB ALA A 81 8.336 9.003 -3.006 1.00 0.00 C ATOM 0 H ALA A 81 9.638 6.945 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 81 8.344 7.850 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.023 9.915 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.461 8.492 -2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.013 9.257 -2.190 1.00 0.00 H new ATOM 1300 N VAL A 82 10.327 8.815 -5.905 1.00 0.00 N ATOM 1301 CA VAL A 82 11.458 9.397 -6.606 1.00 0.00 C ATOM 1302 C VAL A 82 10.959 10.325 -7.702 1.00 0.00 C ATOM 1303 O VAL A 82 10.377 9.886 -8.696 1.00 0.00 O ATOM 1304 CB VAL A 82 12.394 8.309 -7.195 1.00 0.00 C ATOM 1305 CG1 VAL A 82 13.174 7.612 -6.089 1.00 0.00 C ATOM 1306 CG2 VAL A 82 11.605 7.282 -7.994 1.00 0.00 C ATOM 0 H VAL A 82 9.602 8.441 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 82 12.044 9.969 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 82 13.096 8.806 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.824 6.853 -6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.779 8.344 -5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.478 7.139 -5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.286 6.532 -8.395 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.875 6.799 -7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.088 7.779 -8.815 1.00 0.00 H new