USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=14 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= -1.3 X(o=-1.3,f=-0.83) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot -78:sc= 0.953 USER MOD Single : A 26 THR OG1 : rot 173:sc= -1.4! USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 1.16 (180deg=1.11) USER MOD Single : A 34 LYS NZ :NH3+ -146:sc= 0.858 (180deg=-0.87!) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0156) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 57:sc= 1.11 USER MOD Single : A 50 GLN : amide:sc= 0.414 K(o=0.41,f=-0.54) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 26:sc= 0.937 USER MOD Single : A 58 GLN : amide:sc= -0.236 K(o=-0.24,f=-4.7!) USER MOD Single : A 60 GLN : amide:sc=-0.00567 K(o=-0.0057,f=-0.75) USER MOD Single : A 61 HIS : no HD1:sc= 0.335 K(o=0.48,f=-5.4!) USER MOD Single : A 65 THR OG1 : rot -43:sc= 0.739 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 75:sc= 0.0174 USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= -1.23 (180deg=-1.61) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N GLN A 9 -0.068 12.948 -9.153 1.00 0.00 N ATOM 135 CA GLN A 9 0.566 11.720 -9.611 1.00 0.00 C ATOM 136 C GLN A 9 2.066 11.910 -9.793 1.00 0.00 C ATOM 137 O GLN A 9 2.499 12.601 -10.715 1.00 0.00 O ATOM 138 CB GLN A 9 -0.045 11.259 -10.931 1.00 0.00 C ATOM 139 CG GLN A 9 -1.504 10.847 -10.834 1.00 0.00 C ATOM 140 CD GLN A 9 -2.083 10.481 -12.187 1.00 0.00 C ATOM 141 OE1 GLN A 9 -1.685 11.025 -13.211 1.00 0.00 O ATOM 142 NE2 GLN A 9 -3.021 9.552 -12.201 1.00 0.00 N ATOM 0 HA GLN A 9 0.396 10.961 -8.847 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.045 12.064 -11.661 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.534 10.417 -11.312 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.596 9.997 -10.158 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.083 11.663 -10.401 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.326 9.122 -11.328 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.441 9.264 -13.085 1.00 0.00 H new ATOM 151 N ASP A 10 2.845 11.303 -8.913 1.00 0.00 N ATOM 152 CA ASP A 10 4.295 11.306 -9.051 1.00 0.00 C ATOM 153 C ASP A 10 4.751 9.899 -9.434 1.00 0.00 C ATOM 154 O ASP A 10 3.919 9.047 -9.761 1.00 0.00 O ATOM 155 CB ASP A 10 4.972 11.761 -7.750 1.00 0.00 C ATOM 156 CG ASP A 10 6.311 12.442 -7.995 1.00 0.00 C ATOM 157 OD1 ASP A 10 7.252 11.776 -8.477 1.00 0.00 O ATOM 158 OD2 ASP A 10 6.425 13.654 -7.709 1.00 0.00 O ATOM 0 H ASP A 10 2.499 10.801 -8.095 1.00 0.00 H new ATOM 0 HA ASP A 10 4.584 12.012 -9.830 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.311 12.447 -7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.121 10.898 -7.101 1.00 0.00 H new ATOM 163 N ASN A 11 6.046 9.648 -9.385 1.00 0.00 N ATOM 164 CA ASN A 11 6.592 8.363 -9.805 1.00 0.00 C ATOM 165 C ASN A 11 7.042 7.548 -8.598 1.00 0.00 C ATOM 166 O ASN A 11 7.947 7.948 -7.864 1.00 0.00 O ATOM 167 CB ASN A 11 7.770 8.570 -10.765 1.00 0.00 C ATOM 168 CG ASN A 11 7.365 9.249 -12.063 1.00 0.00 C ATOM 169 OD1 ASN A 11 7.054 8.588 -13.059 1.00 0.00 O ATOM 170 ND2 ASN A 11 7.370 10.574 -12.065 1.00 0.00 N ATOM 0 H ASN A 11 6.744 10.316 -9.058 1.00 0.00 H new ATOM 0 HA ASN A 11 5.806 7.813 -10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.534 9.170 -10.270 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.221 7.604 -10.992 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.111 11.084 -12.910 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.633 11.084 -11.222 1.00 0.00 H new ATOM 177 N PHE A 12 6.407 6.406 -8.389 1.00 0.00 N ATOM 178 CA PHE A 12 6.783 5.519 -7.303 1.00 0.00 C ATOM 179 C PHE A 12 7.227 4.178 -7.862 1.00 0.00 C ATOM 180 O PHE A 12 6.542 3.596 -8.702 1.00 0.00 O ATOM 181 CB PHE A 12 5.615 5.321 -6.332 1.00 0.00 C ATOM 182 CG PHE A 12 5.067 6.605 -5.783 1.00 0.00 C ATOM 183 CD1 PHE A 12 5.788 7.340 -4.858 1.00 0.00 C ATOM 184 CD2 PHE A 12 3.834 7.080 -6.196 1.00 0.00 C ATOM 185 CE1 PHE A 12 5.290 8.525 -4.353 1.00 0.00 C ATOM 186 CE2 PHE A 12 3.330 8.265 -5.696 1.00 0.00 C ATOM 187 CZ PHE A 12 4.059 8.989 -4.774 1.00 0.00 C ATOM 0 H PHE A 12 5.629 6.073 -8.958 1.00 0.00 H new ATOM 0 HA PHE A 12 7.609 5.973 -6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.816 4.783 -6.843 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.944 4.693 -5.504 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.752 6.982 -4.527 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.260 6.518 -6.917 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.862 9.088 -3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.367 8.625 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.668 9.916 -4.383 1.00 0.00 H new ATOM 197 N VAL A 13 8.375 3.700 -7.413 1.00 0.00 N ATOM 198 CA VAL A 13 8.888 2.419 -7.866 1.00 0.00 C ATOM 199 C VAL A 13 8.565 1.338 -6.848 1.00 0.00 C ATOM 200 O VAL A 13 8.946 1.439 -5.680 1.00 0.00 O ATOM 201 CB VAL A 13 10.412 2.456 -8.102 1.00 0.00 C ATOM 202 CG1 VAL A 13 10.919 1.097 -8.566 1.00 0.00 C ATOM 203 CG2 VAL A 13 10.774 3.528 -9.115 1.00 0.00 C ATOM 0 H VAL A 13 8.969 4.179 -6.736 1.00 0.00 H new ATOM 0 HA VAL A 13 8.404 2.196 -8.817 1.00 0.00 H new ATOM 0 HB VAL A 13 10.894 2.699 -7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.996 1.146 -8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.699 0.348 -7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.425 0.823 -9.499 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.853 3.536 -9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.277 3.317 -10.062 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.452 4.502 -8.745 1.00 0.00 H new ATOM 213 N VAL A 14 7.855 0.316 -7.292 1.00 0.00 N ATOM 214 CA VAL A 14 7.459 -0.776 -6.424 1.00 0.00 C ATOM 215 C VAL A 14 8.391 -1.968 -6.602 1.00 0.00 C ATOM 216 O VAL A 14 8.488 -2.550 -7.686 1.00 0.00 O ATOM 217 CB VAL A 14 6.006 -1.208 -6.699 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.614 -2.382 -5.821 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.055 -0.043 -6.479 1.00 0.00 C ATOM 0 H VAL A 14 7.539 0.221 -8.257 1.00 0.00 H new ATOM 0 HA VAL A 14 7.526 -0.420 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 14 5.938 -1.523 -7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.584 -2.668 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.274 -3.225 -6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.702 -2.097 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.033 -0.365 -6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.133 0.301 -5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.316 0.772 -7.154 1.00 0.00 H new ATOM 229 N LEU A 15 9.079 -2.317 -5.533 1.00 0.00 N ATOM 230 CA LEU A 15 10.008 -3.427 -5.539 1.00 0.00 C ATOM 231 C LEU A 15 9.354 -4.654 -4.934 1.00 0.00 C ATOM 232 O LEU A 15 8.763 -4.585 -3.852 1.00 0.00 O ATOM 233 CB LEU A 15 11.262 -3.083 -4.732 1.00 0.00 C ATOM 234 CG LEU A 15 12.020 -1.835 -5.181 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.206 -1.587 -4.264 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.474 -1.972 -6.628 1.00 0.00 C ATOM 0 H LEU A 15 9.009 -1.838 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 15 10.290 -3.630 -6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.976 -2.955 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.943 -3.933 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 15 11.349 -0.978 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.740 -0.695 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.853 -1.443 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.878 -2.445 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.012 -1.072 -6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.132 -2.836 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.604 -2.106 -7.271 1.00 0.00 H new ATOM 248 N GLU A 16 9.443 -5.764 -5.641 1.00 0.00 N ATOM 249 CA GLU A 16 8.996 -7.039 -5.119 1.00 0.00 C ATOM 250 C GLU A 16 10.200 -7.978 -5.075 1.00 0.00 C ATOM 251 O GLU A 16 11.140 -7.829 -5.863 1.00 0.00 O ATOM 252 CB GLU A 16 7.849 -7.589 -5.980 1.00 0.00 C ATOM 253 CG GLU A 16 7.084 -8.746 -5.351 1.00 0.00 C ATOM 254 CD GLU A 16 7.512 -10.097 -5.886 1.00 0.00 C ATOM 255 OE1 GLU A 16 8.485 -10.671 -5.355 1.00 0.00 O ATOM 256 OE2 GLU A 16 6.865 -10.594 -6.830 1.00 0.00 O ATOM 0 H GLU A 16 9.824 -5.807 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 16 8.600 -6.934 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.150 -6.780 -6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.255 -7.916 -6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.229 -8.726 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.018 -8.611 -5.532 1.00 0.00 H new ATOM 354 N PHE A 23 8.155 1.621 -12.013 1.00 0.00 N ATOM 355 CA PHE A 23 7.503 2.838 -11.560 1.00 0.00 C ATOM 356 C PHE A 23 6.049 2.896 -12.014 1.00 0.00 C ATOM 357 O PHE A 23 5.689 2.380 -13.076 1.00 0.00 O ATOM 358 CB PHE A 23 8.262 4.071 -12.065 1.00 0.00 C ATOM 359 CG PHE A 23 8.332 4.180 -13.566 1.00 0.00 C ATOM 360 CD1 PHE A 23 9.281 3.467 -14.282 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.448 4.993 -14.258 1.00 0.00 C ATOM 362 CE1 PHE A 23 9.348 3.563 -15.660 1.00 0.00 C ATOM 363 CE2 PHE A 23 7.508 5.092 -15.634 1.00 0.00 C ATOM 364 CZ PHE A 23 8.460 4.377 -16.337 1.00 0.00 C ATOM 0 HA PHE A 23 7.515 2.833 -10.470 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.783 4.966 -11.669 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.276 4.049 -11.666 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.977 2.829 -13.757 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.703 5.556 -13.715 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.093 3.003 -16.206 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.812 5.728 -16.161 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.509 4.455 -17.413 1.00 0.00 H new ATOM 374 N LEU A 24 5.227 3.509 -11.181 1.00 0.00 N ATOM 375 CA LEU A 24 3.832 3.779 -11.494 1.00 0.00 C ATOM 376 C LEU A 24 3.385 5.008 -10.715 1.00 0.00 C ATOM 377 O LEU A 24 4.050 5.408 -9.757 1.00 0.00 O ATOM 378 CB LEU A 24 2.929 2.568 -11.187 1.00 0.00 C ATOM 379 CG LEU A 24 3.020 1.982 -9.771 1.00 0.00 C ATOM 380 CD1 LEU A 24 1.782 1.153 -9.466 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.262 1.116 -9.620 1.00 0.00 C ATOM 0 H LEU A 24 5.511 3.837 -10.258 1.00 0.00 H new ATOM 0 HA LEU A 24 3.740 3.968 -12.564 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.895 2.860 -11.369 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.167 1.777 -11.899 1.00 0.00 H new ATOM 0 HG LEU A 24 3.085 2.811 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.858 0.743 -8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.896 1.784 -9.535 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.704 0.338 -10.185 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.304 0.713 -8.608 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.223 0.295 -10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.151 1.719 -9.807 1.00 0.00 H new ATOM 393 N THR A 25 2.285 5.621 -11.127 1.00 0.00 N ATOM 394 CA THR A 25 1.856 6.872 -10.519 1.00 0.00 C ATOM 395 C THR A 25 1.090 6.648 -9.221 1.00 0.00 C ATOM 396 O THR A 25 0.748 5.517 -8.868 1.00 0.00 O ATOM 397 CB THR A 25 0.984 7.705 -11.476 1.00 0.00 C ATOM 398 OG1 THR A 25 -0.135 6.934 -11.929 1.00 0.00 O ATOM 399 CG2 THR A 25 1.800 8.189 -12.665 1.00 0.00 C ATOM 0 H THR A 25 1.679 5.277 -11.872 1.00 0.00 H new ATOM 0 HA THR A 25 2.771 7.422 -10.298 1.00 0.00 H new ATOM 0 HB THR A 25 0.616 8.575 -10.932 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.158 6.311 -12.627 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.164 8.775 -13.328 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.625 8.808 -12.312 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.196 7.331 -13.208 1.00 0.00 H new ATOM 407 N THR A 26 0.827 7.749 -8.525 1.00 0.00 N ATOM 408 CA THR A 26 0.109 7.741 -7.256 1.00 0.00 C ATOM 409 C THR A 26 -1.214 6.977 -7.342 1.00 0.00 C ATOM 410 O THR A 26 -1.513 6.146 -6.491 1.00 0.00 O ATOM 411 CB THR A 26 -0.170 9.186 -6.812 1.00 0.00 C ATOM 412 OG1 THR A 26 0.996 9.988 -7.031 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.561 9.241 -5.345 1.00 0.00 C ATOM 0 H THR A 26 1.109 8.681 -8.829 1.00 0.00 H new ATOM 0 HA THR A 26 0.741 7.232 -6.528 1.00 0.00 H new ATOM 0 HB THR A 26 -1.001 9.573 -7.402 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.784 10.928 -6.855 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.753 10.275 -5.058 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.461 8.648 -5.186 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.250 8.840 -4.737 1.00 0.00 H new ATOM 421 N ILE A 27 -1.996 7.254 -8.382 1.00 0.00 N ATOM 422 CA ILE A 27 -3.310 6.633 -8.536 1.00 0.00 C ATOM 423 C ILE A 27 -3.174 5.131 -8.781 1.00 0.00 C ATOM 424 O ILE A 27 -3.899 4.329 -8.191 1.00 0.00 O ATOM 425 CB ILE A 27 -4.123 7.301 -9.680 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.860 8.545 -9.165 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.119 6.330 -10.303 1.00 0.00 C ATOM 428 CD1 ILE A 27 -3.955 9.631 -8.627 1.00 0.00 C ATOM 0 H ILE A 27 -1.745 7.902 -9.129 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.857 6.784 -7.605 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.413 7.599 -10.451 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.460 8.958 -9.976 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.551 8.243 -8.378 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.669 6.833 -11.099 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.584 5.475 -10.716 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.818 5.987 -9.540 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.559 10.472 -8.285 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.373 9.239 -7.793 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.280 9.966 -9.415 1.00 0.00 H new ATOM 440 N GLU A 28 -2.219 4.761 -9.626 1.00 0.00 N ATOM 441 CA GLU A 28 -1.975 3.359 -9.939 1.00 0.00 C ATOM 442 C GLU A 28 -1.521 2.611 -8.693 1.00 0.00 C ATOM 443 O GLU A 28 -1.982 1.502 -8.419 1.00 0.00 O ATOM 444 CB GLU A 28 -0.917 3.242 -11.035 1.00 0.00 C ATOM 445 CG GLU A 28 -1.286 3.979 -12.308 1.00 0.00 C ATOM 446 CD GLU A 28 -0.174 3.963 -13.333 1.00 0.00 C ATOM 447 OE1 GLU A 28 0.717 4.835 -13.260 1.00 0.00 O ATOM 448 OE2 GLU A 28 -0.190 3.086 -14.221 1.00 0.00 O ATOM 0 H GLU A 28 -1.600 5.414 -10.107 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.904 2.914 -10.295 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.029 3.631 -10.660 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.759 2.189 -11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.179 3.527 -12.739 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.537 5.012 -12.066 1.00 0.00 H new ATOM 455 N LEU A 29 -0.628 3.237 -7.934 1.00 0.00 N ATOM 456 CA LEU A 29 -0.114 2.648 -6.707 1.00 0.00 C ATOM 457 C LEU A 29 -1.216 2.528 -5.661 1.00 0.00 C ATOM 458 O LEU A 29 -1.263 1.554 -4.915 1.00 0.00 O ATOM 459 CB LEU A 29 1.048 3.479 -6.153 1.00 0.00 C ATOM 460 CG LEU A 29 1.668 2.951 -4.856 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.219 1.548 -5.055 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.764 3.885 -4.369 1.00 0.00 C ATOM 0 H LEU A 29 -0.245 4.157 -8.150 1.00 0.00 H new ATOM 0 HA LEU A 29 0.252 1.649 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.828 3.536 -6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.696 4.496 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 29 0.886 2.909 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.655 1.192 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.412 0.880 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.985 1.565 -5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.193 3.493 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.543 3.959 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.344 4.873 -4.183 1.00 0.00 H new ATOM 474 N LEU A 30 -2.105 3.516 -5.624 1.00 0.00 N ATOM 475 CA LEU A 30 -3.212 3.519 -4.677 1.00 0.00 C ATOM 476 C LEU A 30 -4.072 2.275 -4.871 1.00 0.00 C ATOM 477 O LEU A 30 -4.256 1.486 -3.946 1.00 0.00 O ATOM 478 CB LEU A 30 -4.072 4.777 -4.857 1.00 0.00 C ATOM 479 CG LEU A 30 -4.441 5.516 -3.566 1.00 0.00 C ATOM 480 CD1 LEU A 30 -5.451 6.617 -3.849 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.983 4.553 -2.525 1.00 0.00 C ATOM 0 H LEU A 30 -2.079 4.327 -6.242 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.801 3.517 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.541 5.468 -5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.992 4.496 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.534 5.972 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.700 7.130 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.024 7.330 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.354 6.181 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.237 5.102 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.875 4.061 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.227 3.803 -2.294 1.00 0.00 H new ATOM 493 N GLU A 31 -4.570 2.095 -6.090 1.00 0.00 N ATOM 494 CA GLU A 31 -5.417 0.952 -6.412 1.00 0.00 C ATOM 495 C GLU A 31 -4.668 -0.360 -6.202 1.00 0.00 C ATOM 496 O GLU A 31 -5.249 -1.359 -5.773 1.00 0.00 O ATOM 497 CB GLU A 31 -5.916 1.048 -7.855 1.00 0.00 C ATOM 498 CG GLU A 31 -6.792 2.264 -8.118 1.00 0.00 C ATOM 499 CD GLU A 31 -7.965 2.348 -7.168 1.00 0.00 C ATOM 500 OE1 GLU A 31 -8.857 1.476 -7.233 1.00 0.00 O ATOM 501 OE2 GLU A 31 -8.005 3.281 -6.349 1.00 0.00 O ATOM 0 H GLU A 31 -4.401 2.727 -6.872 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.275 0.968 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.058 1.077 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.479 0.146 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.190 3.168 -8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.161 2.228 -9.143 1.00 0.00 H new ATOM 508 N LYS A 32 -3.376 -0.343 -6.495 1.00 0.00 N ATOM 509 CA LYS A 32 -2.538 -1.518 -6.326 1.00 0.00 C ATOM 510 C LYS A 32 -2.439 -1.894 -4.852 1.00 0.00 C ATOM 511 O LYS A 32 -2.690 -3.038 -4.472 1.00 0.00 O ATOM 512 CB LYS A 32 -1.147 -1.253 -6.893 1.00 0.00 C ATOM 513 CG LYS A 32 -0.296 -2.502 -7.001 1.00 0.00 C ATOM 514 CD LYS A 32 1.093 -2.183 -7.514 1.00 0.00 C ATOM 515 CE LYS A 32 1.854 -3.450 -7.854 1.00 0.00 C ATOM 516 NZ LYS A 32 1.995 -4.359 -6.684 1.00 0.00 N ATOM 0 H LYS A 32 -2.885 0.476 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.990 -2.349 -6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.245 -0.802 -7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.636 -0.527 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.224 -2.980 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.777 -3.215 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.021 -1.550 -8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.641 -1.617 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.339 -3.975 -8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.844 -3.187 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.593 -5.169 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.434 -3.843 -5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.056 -4.701 -6.395 1.00 0.00 H new ATOM 530 N LEU A 33 -2.088 -0.914 -4.022 1.00 0.00 N ATOM 531 CA LEU A 33 -1.979 -1.128 -2.585 1.00 0.00 C ATOM 532 C LEU A 33 -3.318 -1.528 -1.989 1.00 0.00 C ATOM 533 O LEU A 33 -3.369 -2.328 -1.069 1.00 0.00 O ATOM 534 CB LEU A 33 -1.445 0.120 -1.879 1.00 0.00 C ATOM 535 CG LEU A 33 0.045 0.395 -2.083 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.445 1.692 -1.396 1.00 0.00 C ATOM 537 CD2 LEU A 33 0.876 -0.766 -1.553 1.00 0.00 C ATOM 0 H LEU A 33 -1.874 0.037 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.272 -1.943 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.009 0.985 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.638 0.024 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 33 0.235 0.498 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.509 1.873 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.129 2.518 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.242 1.616 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.935 -0.555 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.682 -0.896 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.607 -1.678 -2.085 1.00 0.00 H new ATOM 549 N LYS A 34 -4.398 -0.973 -2.521 1.00 0.00 N ATOM 550 CA LYS A 34 -5.741 -1.336 -2.076 1.00 0.00 C ATOM 551 C LYS A 34 -5.984 -2.834 -2.246 1.00 0.00 C ATOM 552 O LYS A 34 -6.573 -3.475 -1.379 1.00 0.00 O ATOM 553 CB LYS A 34 -6.791 -0.539 -2.855 1.00 0.00 C ATOM 554 CG LYS A 34 -6.878 0.926 -2.445 1.00 0.00 C ATOM 555 CD LYS A 34 -7.674 1.748 -3.446 1.00 0.00 C ATOM 556 CE LYS A 34 -9.086 1.218 -3.617 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.825 1.940 -4.681 1.00 0.00 N ATOM 0 H LYS A 34 -4.373 -0.271 -3.260 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.826 -1.093 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.562 -0.596 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.766 -1.005 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.343 1.001 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.873 1.338 -2.354 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.713 2.786 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.164 1.740 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.048 0.156 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.625 1.311 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.830 2.005 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.433 2.897 -4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.731 1.425 -5.580 1.00 0.00 H new ATOM 571 N GLY A 35 -5.508 -3.388 -3.357 1.00 0.00 N ATOM 572 CA GLY A 35 -5.645 -4.812 -3.596 1.00 0.00 C ATOM 573 C GLY A 35 -4.783 -5.630 -2.655 1.00 0.00 C ATOM 574 O GLY A 35 -5.279 -6.525 -1.965 1.00 0.00 O ATOM 0 H GLY A 35 -5.029 -2.874 -4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.689 -5.101 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.369 -5.035 -4.627 1.00 0.00 H new ATOM 578 N GLU A 36 -3.495 -5.302 -2.618 1.00 0.00 N ATOM 579 CA GLU A 36 -2.552 -5.985 -1.739 1.00 0.00 C ATOM 580 C GLU A 36 -2.985 -5.887 -0.276 1.00 0.00 C ATOM 581 O GLU A 36 -2.817 -6.826 0.494 1.00 0.00 O ATOM 582 CB GLU A 36 -1.144 -5.402 -1.893 1.00 0.00 C ATOM 583 CG GLU A 36 -0.278 -6.088 -2.943 1.00 0.00 C ATOM 584 CD GLU A 36 -0.664 -5.751 -4.368 1.00 0.00 C ATOM 585 OE1 GLU A 36 -1.588 -6.391 -4.906 1.00 0.00 O ATOM 586 OE2 GLU A 36 -0.012 -4.874 -4.974 1.00 0.00 O ATOM 0 H GLU A 36 -3.080 -4.565 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.540 -7.035 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.230 -4.345 -2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.636 -5.458 -0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.763 -5.807 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.342 -7.167 -2.805 1.00 0.00 H new ATOM 593 N LEU A 37 -3.551 -4.749 0.095 1.00 0.00 N ATOM 594 CA LEU A 37 -3.957 -4.505 1.473 1.00 0.00 C ATOM 595 C LEU A 37 -5.194 -5.316 1.847 1.00 0.00 C ATOM 596 O LEU A 37 -5.242 -5.916 2.919 1.00 0.00 O ATOM 597 CB LEU A 37 -4.218 -3.011 1.677 1.00 0.00 C ATOM 598 CG LEU A 37 -4.634 -2.587 3.088 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.589 -3.005 4.107 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.849 -1.085 3.141 1.00 0.00 C ATOM 0 H LEU A 37 -3.741 -3.975 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.146 -4.825 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.314 -2.465 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.998 -2.701 0.981 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.571 -3.087 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.906 -2.693 5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.473 -4.089 4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.636 -2.534 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.145 -0.795 4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.923 -0.575 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.634 -0.805 2.438 1.00 0.00 H new ATOM 612 N GLU A 38 -6.184 -5.355 0.963 1.00 0.00 N ATOM 613 CA GLU A 38 -7.442 -6.020 1.282 1.00 0.00 C ATOM 614 C GLU A 38 -7.310 -7.538 1.219 1.00 0.00 C ATOM 615 O GLU A 38 -8.181 -8.259 1.705 1.00 0.00 O ATOM 616 CB GLU A 38 -8.574 -5.561 0.358 1.00 0.00 C ATOM 617 CG GLU A 38 -8.422 -6.007 -1.086 1.00 0.00 C ATOM 618 CD GLU A 38 -9.708 -5.860 -1.868 1.00 0.00 C ATOM 619 OE1 GLU A 38 -10.564 -6.763 -1.774 1.00 0.00 O ATOM 620 OE2 GLU A 38 -9.877 -4.843 -2.574 1.00 0.00 O ATOM 0 H GLU A 38 -6.142 -4.940 0.032 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.691 -5.736 2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.520 -5.940 0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.631 -4.473 0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.638 -5.420 -1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.101 -7.048 -1.111 1.00 0.00 H new ATOM 627 N LYS A 39 -6.242 -8.029 0.601 1.00 0.00 N ATOM 628 CA LYS A 39 -5.991 -9.462 0.583 1.00 0.00 C ATOM 629 C LYS A 39 -5.166 -9.858 1.804 1.00 0.00 C ATOM 630 O LYS A 39 -4.926 -11.037 2.053 1.00 0.00 O ATOM 631 CB LYS A 39 -5.308 -9.899 -0.720 1.00 0.00 C ATOM 632 CG LYS A 39 -3.898 -9.368 -0.907 1.00 0.00 C ATOM 633 CD LYS A 39 -3.361 -9.704 -2.289 1.00 0.00 C ATOM 634 CE LYS A 39 -3.324 -11.205 -2.538 1.00 0.00 C ATOM 635 NZ LYS A 39 -2.322 -11.889 -1.680 1.00 0.00 N ATOM 0 H LYS A 39 -5.546 -7.465 0.113 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.949 -9.981 0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.278 -10.988 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.919 -9.573 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.892 -8.287 -0.765 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.243 -9.793 -0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.984 -9.226 -3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.357 -9.294 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.311 -11.628 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.092 -11.393 -3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.282 -12.898 -1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.387 -11.459 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.595 -11.790 -0.681 1.00 0.00 H new ATOM 649 N ILE A 40 -4.743 -8.853 2.559 1.00 0.00 N ATOM 650 CA ILE A 40 -4.078 -9.072 3.834 1.00 0.00 C ATOM 651 C ILE A 40 -5.107 -8.977 4.956 1.00 0.00 C ATOM 652 O ILE A 40 -6.059 -8.200 4.867 1.00 0.00 O ATOM 653 CB ILE A 40 -2.913 -8.056 4.054 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.570 -8.660 3.621 1.00 0.00 C ATOM 655 CG2 ILE A 40 -2.824 -7.585 5.503 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.479 -8.980 2.144 1.00 0.00 C ATOM 0 H ILE A 40 -4.850 -7.871 2.307 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.634 -10.067 3.834 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.134 -7.188 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.772 -7.965 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.395 -9.573 4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.999 -6.880 5.606 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.757 -7.096 5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.653 -8.442 6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.499 -9.402 1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.253 -9.701 1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.620 -8.067 1.565 1.00 0.00 H new ATOM 668 N SER A 41 -4.938 -9.795 5.982 1.00 0.00 N ATOM 669 CA SER A 41 -5.845 -9.789 7.116 1.00 0.00 C ATOM 670 C SER A 41 -5.872 -8.417 7.788 1.00 0.00 C ATOM 671 O SER A 41 -4.826 -7.846 8.108 1.00 0.00 O ATOM 672 CB SER A 41 -5.427 -10.857 8.115 1.00 0.00 C ATOM 673 OG SER A 41 -5.366 -12.132 7.495 1.00 0.00 O ATOM 0 H SER A 41 -4.179 -10.473 6.052 1.00 0.00 H new ATOM 0 HA SER A 41 -6.850 -10.007 6.756 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.454 -10.606 8.536 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.135 -10.884 8.943 1.00 0.00 H new ATOM 0 HG SER A 41 -5.094 -12.804 8.155 1.00 0.00 H new ATOM 679 N PHE A 42 -7.075 -7.908 8.025 1.00 0.00 N ATOM 680 CA PHE A 42 -7.261 -6.572 8.579 1.00 0.00 C ATOM 681 C PHE A 42 -6.836 -6.521 10.044 1.00 0.00 C ATOM 682 O PHE A 42 -6.733 -5.450 10.638 1.00 0.00 O ATOM 683 CB PHE A 42 -8.721 -6.142 8.430 1.00 0.00 C ATOM 684 CG PHE A 42 -9.178 -6.073 6.997 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.680 -7.198 6.358 1.00 0.00 C ATOM 686 CD2 PHE A 42 -9.101 -4.885 6.286 1.00 0.00 C ATOM 687 CE1 PHE A 42 -10.095 -7.137 5.041 1.00 0.00 C ATOM 688 CE2 PHE A 42 -9.514 -4.820 4.969 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.012 -5.948 4.346 1.00 0.00 C ATOM 0 H PHE A 42 -7.945 -8.407 7.840 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.629 -5.879 8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.356 -6.842 8.973 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.854 -5.165 8.894 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.747 -8.132 6.896 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.713 -3.999 6.768 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.484 -8.020 4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.448 -3.888 4.427 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.336 -5.899 3.317 1.00 0.00 H new ATOM 699 N SER A 43 -6.596 -7.685 10.619 1.00 0.00 N ATOM 700 CA SER A 43 -6.097 -7.779 11.980 1.00 0.00 C ATOM 701 C SER A 43 -4.581 -7.610 12.016 1.00 0.00 C ATOM 702 O SER A 43 -4.007 -7.222 13.032 1.00 0.00 O ATOM 703 CB SER A 43 -6.489 -9.132 12.569 1.00 0.00 C ATOM 704 OG SER A 43 -6.188 -10.187 11.661 1.00 0.00 O ATOM 0 H SER A 43 -6.740 -8.585 10.161 1.00 0.00 H new ATOM 0 HA SER A 43 -6.540 -6.979 12.574 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.959 -9.292 13.508 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.554 -9.138 12.800 1.00 0.00 H new ATOM 0 HG SER A 43 -5.233 -10.166 11.440 1.00 0.00 H new ATOM 710 N ASP A 44 -3.944 -7.875 10.885 1.00 0.00 N ATOM 711 CA ASP A 44 -2.490 -7.937 10.821 1.00 0.00 C ATOM 712 C ASP A 44 -1.901 -6.641 10.290 1.00 0.00 C ATOM 713 O ASP A 44 -0.721 -6.360 10.492 1.00 0.00 O ATOM 714 CB ASP A 44 -2.051 -9.114 9.949 1.00 0.00 C ATOM 715 CG ASP A 44 -2.467 -10.449 10.535 1.00 0.00 C ATOM 716 OD1 ASP A 44 -3.686 -10.707 10.633 1.00 0.00 O ATOM 717 OD2 ASP A 44 -1.582 -11.241 10.917 1.00 0.00 O ATOM 0 H ASP A 44 -4.412 -8.051 9.996 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.116 -8.083 11.834 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.481 -9.006 8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.968 -9.093 9.832 1.00 0.00 H new ATOM 722 N LEU A 45 -2.720 -5.851 9.611 1.00 0.00 N ATOM 723 CA LEU A 45 -2.277 -4.553 9.113 1.00 0.00 C ATOM 724 C LEU A 45 -2.129 -3.552 10.265 1.00 0.00 C ATOM 725 O LEU A 45 -2.733 -3.729 11.327 1.00 0.00 O ATOM 726 CB LEU A 45 -3.230 -4.035 8.020 1.00 0.00 C ATOM 727 CG LEU A 45 -4.732 -4.074 8.336 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.132 -2.949 9.277 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.541 -3.997 7.050 1.00 0.00 C ATOM 0 H LEU A 45 -3.689 -6.082 9.392 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.294 -4.672 8.657 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.957 -3.005 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.058 -4.618 7.115 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.944 -5.019 8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.202 -3.007 9.479 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.580 -3.043 10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.902 -1.989 8.815 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.605 -4.026 7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.310 -3.067 6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.289 -4.843 6.410 1.00 0.00 H new ATOM 741 N PRO A 46 -1.294 -2.510 10.077 1.00 0.00 N ATOM 742 CA PRO A 46 -1.018 -1.498 11.114 1.00 0.00 C ATOM 743 C PRO A 46 -2.278 -0.848 11.690 1.00 0.00 C ATOM 744 O PRO A 46 -3.294 -0.718 11.006 1.00 0.00 O ATOM 745 CB PRO A 46 -0.177 -0.454 10.376 1.00 0.00 C ATOM 746 CG PRO A 46 0.467 -1.202 9.264 1.00 0.00 C ATOM 747 CD PRO A 46 -0.528 -2.246 8.841 1.00 0.00 C ATOM 0 HA PRO A 46 -0.526 -1.947 11.977 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.797 0.359 9.999 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.567 -0.007 11.035 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.712 -0.537 8.436 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.400 -1.661 9.591 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.172 -1.886 8.039 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.035 -3.146 8.474 1.00 0.00 H new ATOM 755 N LEU A 47 -2.183 -0.411 12.945 1.00 0.00 N ATOM 756 CA LEU A 47 -3.305 0.194 13.662 1.00 0.00 C ATOM 757 C LEU A 47 -3.781 1.463 12.957 1.00 0.00 C ATOM 758 O LEU A 47 -4.952 1.832 13.046 1.00 0.00 O ATOM 759 CB LEU A 47 -2.892 0.513 15.104 1.00 0.00 C ATOM 760 CG LEU A 47 -3.999 1.080 15.995 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.118 0.066 16.172 1.00 0.00 C ATOM 762 CD2 LEU A 47 -3.431 1.493 17.344 1.00 0.00 C ATOM 0 H LEU A 47 -1.325 -0.466 13.494 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.130 -0.518 13.675 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.510 -0.398 15.564 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.069 1.227 15.078 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.415 1.963 15.510 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.895 0.489 16.809 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.542 -0.182 15.199 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.721 -0.837 16.636 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.230 1.895 17.968 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.990 0.625 17.834 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.666 2.256 17.199 1.00 0.00 H new ATOM 774 N GLU A 48 -2.858 2.116 12.255 1.00 0.00 N ATOM 775 CA GLU A 48 -3.173 3.283 11.432 1.00 0.00 C ATOM 776 C GLU A 48 -4.363 2.991 10.520 1.00 0.00 C ATOM 777 O GLU A 48 -5.309 3.778 10.410 1.00 0.00 O ATOM 778 CB GLU A 48 -1.963 3.644 10.563 1.00 0.00 C ATOM 779 CG GLU A 48 -0.691 3.943 11.343 1.00 0.00 C ATOM 780 CD GLU A 48 -0.748 5.274 12.061 1.00 0.00 C ATOM 781 OE1 GLU A 48 -0.721 6.320 11.378 1.00 0.00 O ATOM 782 OE2 GLU A 48 -0.801 5.282 13.305 1.00 0.00 O ATOM 0 H GLU A 48 -1.873 1.853 12.240 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.421 4.113 12.094 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.767 2.821 9.875 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.214 4.514 9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.520 3.149 12.070 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.159 3.939 10.660 1.00 0.00 H new ATOM 789 N LEU A 49 -4.314 1.828 9.891 1.00 0.00 N ATOM 790 CA LEU A 49 -5.298 1.450 8.893 1.00 0.00 C ATOM 791 C LEU A 49 -6.580 0.960 9.558 1.00 0.00 C ATOM 792 O LEU A 49 -7.644 0.965 8.956 1.00 0.00 O ATOM 793 CB LEU A 49 -4.723 0.362 7.981 1.00 0.00 C ATOM 794 CG LEU A 49 -3.304 0.629 7.468 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.860 -0.472 6.519 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.216 1.986 6.785 1.00 0.00 C ATOM 0 H LEU A 49 -3.595 1.124 10.057 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.540 2.327 8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.725 -0.584 8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.386 0.240 7.124 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.634 0.637 8.327 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.850 -0.263 6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.871 -1.429 7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.540 -0.515 5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.198 2.150 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.903 2.013 5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.483 2.769 7.495 1.00 0.00 H new ATOM 808 N GLN A 50 -6.467 0.548 10.813 1.00 0.00 N ATOM 809 CA GLN A 50 -7.626 0.105 11.579 1.00 0.00 C ATOM 810 C GLN A 50 -8.444 1.308 12.036 1.00 0.00 C ATOM 811 O GLN A 50 -9.635 1.194 12.341 1.00 0.00 O ATOM 812 CB GLN A 50 -7.181 -0.716 12.789 1.00 0.00 C ATOM 813 CG GLN A 50 -6.420 -1.978 12.417 1.00 0.00 C ATOM 814 CD GLN A 50 -5.920 -2.738 13.628 1.00 0.00 C ATOM 815 OE1 GLN A 50 -6.533 -2.706 14.694 1.00 0.00 O ATOM 816 NE2 GLN A 50 -4.801 -3.428 13.471 1.00 0.00 N ATOM 0 H GLN A 50 -5.585 0.511 11.323 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.247 -0.523 10.940 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.551 -0.096 13.427 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.058 -0.989 13.375 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.067 -2.627 11.828 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.573 -1.713 11.784 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.324 -3.428 12.569 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.416 -3.960 14.252 1.00 0.00 H new ATOM 825 N LYS A 51 -7.787 2.462 12.093 1.00 0.00 N ATOM 826 CA LYS A 51 -8.452 3.704 12.452 1.00 0.00 C ATOM 827 C LYS A 51 -9.143 4.294 11.232 1.00 0.00 C ATOM 828 O LYS A 51 -10.213 4.899 11.340 1.00 0.00 O ATOM 829 CB LYS A 51 -7.446 4.708 13.023 1.00 0.00 C ATOM 830 CG LYS A 51 -6.744 4.217 14.278 1.00 0.00 C ATOM 831 CD LYS A 51 -7.726 3.989 15.414 1.00 0.00 C ATOM 832 CE LYS A 51 -7.048 3.345 16.611 1.00 0.00 C ATOM 833 NZ LYS A 51 -7.982 3.180 17.754 1.00 0.00 N ATOM 0 H LYS A 51 -6.791 2.560 11.894 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.199 3.490 13.217 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.698 4.933 12.263 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.963 5.641 13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.216 3.289 14.061 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.994 4.946 14.585 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.167 4.940 15.712 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.542 3.353 15.070 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.651 2.372 16.323 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.200 3.956 16.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.481 2.737 18.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.342 4.111 18.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.778 2.576 17.467 1.00 0.00 H new ATOM 847 N LEU A 52 -8.524 4.110 10.074 1.00 0.00 N ATOM 848 CA LEU A 52 -9.098 4.569 8.816 1.00 0.00 C ATOM 849 C LEU A 52 -10.196 3.617 8.341 1.00 0.00 C ATOM 850 O LEU A 52 -9.951 2.438 8.098 1.00 0.00 O ATOM 851 CB LEU A 52 -8.001 4.699 7.759 1.00 0.00 C ATOM 852 CG LEU A 52 -6.901 5.702 8.110 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.769 5.631 7.103 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.464 7.113 8.181 1.00 0.00 C ATOM 0 H LEU A 52 -7.621 3.645 9.979 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.550 5.548 8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.547 3.721 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.457 4.994 6.814 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.504 5.441 9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.997 6.353 7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.344 4.627 7.104 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.151 5.862 6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.665 7.811 8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.892 7.383 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.239 7.158 8.946 1.00 0.00 H new ATOM 866 N ASP A 53 -11.403 4.144 8.206 1.00 0.00 N ATOM 867 CA ASP A 53 -12.568 3.338 7.863 1.00 0.00 C ATOM 868 C ASP A 53 -12.548 2.911 6.397 1.00 0.00 C ATOM 869 O ASP A 53 -13.076 1.856 6.042 1.00 0.00 O ATOM 870 CB ASP A 53 -13.852 4.122 8.146 1.00 0.00 C ATOM 871 CG ASP A 53 -14.061 5.272 7.178 1.00 0.00 C ATOM 872 OD1 ASP A 53 -14.685 5.061 6.118 1.00 0.00 O ATOM 873 OD2 ASP A 53 -13.595 6.397 7.467 1.00 0.00 O ATOM 0 H ASP A 53 -11.604 5.136 8.330 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.538 2.440 8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.705 3.446 8.091 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.819 4.511 9.164 1.00 0.00 H new ATOM 878 N SER A 54 -11.950 3.732 5.547 1.00 0.00 N ATOM 879 CA SER A 54 -11.945 3.477 4.117 1.00 0.00 C ATOM 880 C SER A 54 -10.639 2.825 3.682 1.00 0.00 C ATOM 881 O SER A 54 -9.555 3.276 4.057 1.00 0.00 O ATOM 882 CB SER A 54 -12.168 4.784 3.355 1.00 0.00 C ATOM 883 OG SER A 54 -13.396 5.389 3.733 1.00 0.00 O ATOM 0 H SER A 54 -11.461 4.583 5.825 1.00 0.00 H new ATOM 0 HA SER A 54 -12.757 2.787 3.887 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.344 5.470 3.553 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.169 4.589 2.283 1.00 0.00 H new ATOM 0 HG SER A 54 -13.637 5.103 4.639 1.00 0.00 H new ATOM 889 N LEU A 55 -10.759 1.763 2.893 1.00 0.00 N ATOM 890 CA LEU A 55 -9.599 1.064 2.344 1.00 0.00 C ATOM 891 C LEU A 55 -8.719 2.010 1.506 1.00 0.00 C ATOM 892 O LEU A 55 -7.494 1.980 1.632 1.00 0.00 O ATOM 893 CB LEU A 55 -10.044 -0.137 1.496 1.00 0.00 C ATOM 894 CG LEU A 55 -8.911 -1.040 1.007 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.258 -1.755 2.180 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.429 -2.041 -0.014 1.00 0.00 C ATOM 0 H LEU A 55 -11.656 1.363 2.616 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.003 0.703 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.740 -0.738 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.593 0.233 0.630 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.158 -0.419 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.454 -2.394 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.851 -1.019 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.001 -2.365 2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.609 -2.675 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.202 -2.659 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.848 -1.507 -0.867 1.00 0.00 H new ATOM 908 N PRO A 56 -9.321 2.853 0.625 1.00 0.00 N ATOM 909 CA PRO A 56 -8.568 3.871 -0.119 1.00 0.00 C ATOM 910 C PRO A 56 -7.743 4.764 0.800 1.00 0.00 C ATOM 911 O PRO A 56 -6.576 5.043 0.529 1.00 0.00 O ATOM 912 CB PRO A 56 -9.656 4.692 -0.816 1.00 0.00 C ATOM 913 CG PRO A 56 -10.811 3.765 -0.942 1.00 0.00 C ATOM 914 CD PRO A 56 -10.751 2.855 0.250 1.00 0.00 C ATOM 0 HA PRO A 56 -7.852 3.420 -0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.919 5.575 -0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.322 5.043 -1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.751 4.316 -0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.753 3.195 -1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.377 3.221 1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.101 1.852 0.005 1.00 0.00 H new ATOM 922 N ALA A 57 -8.355 5.195 1.900 1.00 0.00 N ATOM 923 CA ALA A 57 -7.683 6.052 2.867 1.00 0.00 C ATOM 924 C ALA A 57 -6.521 5.314 3.526 1.00 0.00 C ATOM 925 O ALA A 57 -5.456 5.891 3.756 1.00 0.00 O ATOM 926 CB ALA A 57 -8.669 6.542 3.916 1.00 0.00 C ATOM 0 H ALA A 57 -9.318 4.963 2.142 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.281 6.917 2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.151 7.181 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.464 7.109 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.099 5.687 4.438 1.00 0.00 H new ATOM 932 N GLN A 58 -6.734 4.032 3.824 1.00 0.00 N ATOM 933 CA GLN A 58 -5.687 3.186 4.387 1.00 0.00 C ATOM 934 C GLN A 58 -4.471 3.149 3.466 1.00 0.00 C ATOM 935 O GLN A 58 -3.355 3.487 3.877 1.00 0.00 O ATOM 936 CB GLN A 58 -6.205 1.763 4.612 1.00 0.00 C ATOM 937 CG GLN A 58 -7.243 1.648 5.714 1.00 0.00 C ATOM 938 CD GLN A 58 -7.794 0.241 5.838 1.00 0.00 C ATOM 939 OE1 GLN A 58 -7.125 -0.732 5.499 1.00 0.00 O ATOM 940 NE2 GLN A 58 -9.003 0.121 6.353 1.00 0.00 N ATOM 0 H GLN A 58 -7.626 3.558 3.683 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.392 3.612 5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.636 1.393 3.682 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.362 1.115 4.852 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.797 1.947 6.663 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.061 2.340 5.514 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.527 0.953 6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.413 -0.804 6.482 1.00 0.00 H new ATOM 949 N ALA A 59 -4.702 2.761 2.215 1.00 0.00 N ATOM 950 CA ALA A 59 -3.633 2.656 1.229 1.00 0.00 C ATOM 951 C ALA A 59 -2.979 4.015 0.981 1.00 0.00 C ATOM 952 O ALA A 59 -1.767 4.100 0.779 1.00 0.00 O ATOM 953 CB ALA A 59 -4.166 2.068 -0.073 1.00 0.00 C ATOM 0 H ALA A 59 -5.625 2.513 1.860 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.870 1.986 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.356 1.996 -0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.573 1.075 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.951 2.712 -0.469 1.00 0.00 H new ATOM 959 N GLN A 60 -3.781 5.075 1.017 1.00 0.00 N ATOM 960 CA GLN A 60 -3.264 6.428 0.851 1.00 0.00 C ATOM 961 C GLN A 60 -2.280 6.767 1.965 1.00 0.00 C ATOM 962 O GLN A 60 -1.238 7.360 1.716 1.00 0.00 O ATOM 963 CB GLN A 60 -4.402 7.455 0.836 1.00 0.00 C ATOM 964 CG GLN A 60 -3.916 8.895 0.713 1.00 0.00 C ATOM 965 CD GLN A 60 -3.275 9.192 -0.630 1.00 0.00 C ATOM 966 OE1 GLN A 60 -3.684 8.655 -1.659 1.00 0.00 O ATOM 967 NE2 GLN A 60 -2.249 10.030 -0.626 1.00 0.00 N ATOM 0 H GLN A 60 -4.790 5.023 1.159 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.746 6.469 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.071 7.233 0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.986 7.353 1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.758 9.571 0.865 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.196 9.099 1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.941 10.454 0.249 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.767 10.251 -1.498 1.00 0.00 H new ATOM 976 N HIS A 61 -2.606 6.370 3.192 1.00 0.00 N ATOM 977 CA HIS A 61 -1.757 6.668 4.341 1.00 0.00 C ATOM 978 C HIS A 61 -0.464 5.856 4.280 1.00 0.00 C ATOM 979 O HIS A 61 0.543 6.229 4.885 1.00 0.00 O ATOM 980 CB HIS A 61 -2.506 6.405 5.648 1.00 0.00 C ATOM 981 CG HIS A 61 -1.757 6.829 6.880 1.00 0.00 C ATOM 982 ND1 HIS A 61 -1.238 8.097 7.061 1.00 0.00 N ATOM 983 CD2 HIS A 61 -1.455 6.144 8.006 1.00 0.00 C ATOM 984 CE1 HIS A 61 -0.657 8.167 8.244 1.00 0.00 C ATOM 985 NE2 HIS A 61 -0.775 6.996 8.839 1.00 0.00 N ATOM 0 H HIS A 61 -3.450 5.842 3.416 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.494 7.725 4.309 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.462 6.929 5.618 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.728 5.340 5.719 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.704 5.113 8.212 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.167 9.037 8.656 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.419 6.762 9.766 1.00 0.00 H new ATOM 994 N LEU A 62 -0.498 4.748 3.552 1.00 0.00 N ATOM 995 CA LEU A 62 0.712 3.989 3.275 1.00 0.00 C ATOM 996 C LEU A 62 1.645 4.823 2.404 1.00 0.00 C ATOM 997 O LEU A 62 2.805 5.050 2.746 1.00 0.00 O ATOM 998 CB LEU A 62 0.376 2.670 2.579 1.00 0.00 C ATOM 999 CG LEU A 62 -0.447 1.682 3.410 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.840 0.478 2.565 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.335 1.237 4.637 1.00 0.00 C ATOM 0 H LEU A 62 -1.347 4.357 3.144 1.00 0.00 H new ATOM 0 HA LEU A 62 1.208 3.757 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.170 2.891 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.307 2.185 2.286 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.355 2.183 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.425 -0.216 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.436 0.809 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.059 -0.023 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.265 0.535 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.259 0.752 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.572 2.105 5.252 1.00 0.00 H new ATOM 1013 N ILE A 63 1.114 5.310 1.292 1.00 0.00 N ATOM 1014 CA ILE A 63 1.859 6.197 0.406 1.00 0.00 C ATOM 1015 C ILE A 63 2.232 7.480 1.150 1.00 0.00 C ATOM 1016 O ILE A 63 3.251 8.111 0.872 1.00 0.00 O ATOM 1017 CB ILE A 63 1.019 6.560 -0.840 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.504 5.288 -1.521 1.00 0.00 C ATOM 1019 CG2 ILE A 63 1.840 7.391 -1.815 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.466 5.548 -2.656 1.00 0.00 C ATOM 0 H ILE A 63 0.165 5.105 0.979 1.00 0.00 H new ATOM 0 HA ILE A 63 2.762 5.678 0.085 1.00 0.00 H new ATOM 0 HB ILE A 63 0.163 7.155 -0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.354 4.724 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.016 4.661 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.232 7.637 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.163 8.310 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.714 6.822 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.785 4.599 -3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.335 6.084 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.024 6.148 -3.423 1.00 0.00 H new ATOM 1032 N ASP A 64 1.388 7.828 2.112 1.00 0.00 N ATOM 1033 CA ASP A 64 1.534 9.045 2.900 1.00 0.00 C ATOM 1034 C ASP A 64 2.800 9.031 3.755 1.00 0.00 C ATOM 1035 O ASP A 64 3.645 9.918 3.620 1.00 0.00 O ATOM 1036 CB ASP A 64 0.296 9.228 3.782 1.00 0.00 C ATOM 1037 CG ASP A 64 0.352 10.466 4.647 1.00 0.00 C ATOM 1038 OD1 ASP A 64 0.478 11.576 4.095 1.00 0.00 O ATOM 1039 OD2 ASP A 64 0.250 10.329 5.884 1.00 0.00 O ATOM 0 H ASP A 64 0.575 7.268 2.370 1.00 0.00 H new ATOM 0 HA ASP A 64 1.627 9.884 2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.589 9.277 3.147 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.182 8.352 4.421 1.00 0.00 H new ATOM 1044 N THR A 65 2.946 8.035 4.629 1.00 0.00 N ATOM 1045 CA THR A 65 4.100 8.004 5.523 1.00 0.00 C ATOM 1046 C THR A 65 4.281 6.644 6.224 1.00 0.00 C ATOM 1047 O THR A 65 4.947 6.557 7.257 1.00 0.00 O ATOM 1048 CB THR A 65 3.982 9.134 6.580 1.00 0.00 C ATOM 1049 OG1 THR A 65 5.192 9.254 7.344 1.00 0.00 O ATOM 1050 CG2 THR A 65 2.809 8.889 7.523 1.00 0.00 C ATOM 0 H THR A 65 2.296 7.257 4.736 1.00 0.00 H new ATOM 0 HA THR A 65 4.984 8.161 4.905 1.00 0.00 H new ATOM 0 HB THR A 65 3.809 10.064 6.038 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.522 8.361 7.577 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.753 9.698 8.252 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.883 8.852 6.950 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.952 7.942 8.043 1.00 0.00 H new ATOM 1058 N SER A 66 3.727 5.576 5.667 1.00 0.00 N ATOM 1059 CA SER A 66 3.876 4.260 6.284 1.00 0.00 C ATOM 1060 C SER A 66 4.186 3.200 5.232 1.00 0.00 C ATOM 1061 O SER A 66 3.425 3.013 4.292 1.00 0.00 O ATOM 1062 CB SER A 66 2.597 3.893 7.038 1.00 0.00 C ATOM 1063 OG SER A 66 2.229 4.922 7.944 1.00 0.00 O ATOM 0 H SER A 66 3.180 5.589 4.806 1.00 0.00 H new ATOM 0 HA SER A 66 4.709 4.299 6.986 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.788 3.722 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.746 2.960 7.582 1.00 0.00 H new ATOM 0 HG SER A 66 1.408 4.666 8.414 1.00 0.00 H new ATOM 1069 N CYS A 67 5.280 2.476 5.407 1.00 0.00 N ATOM 1070 CA CYS A 67 5.685 1.493 4.416 1.00 0.00 C ATOM 1071 C CYS A 67 6.042 0.158 5.063 1.00 0.00 C ATOM 1072 O CYS A 67 7.096 0.015 5.681 1.00 0.00 O ATOM 1073 CB CYS A 67 6.875 2.022 3.606 1.00 0.00 C ATOM 1074 SG CYS A 67 7.393 0.948 2.244 1.00 0.00 S ATOM 0 H CYS A 67 5.897 2.549 6.216 1.00 0.00 H new ATOM 0 HA CYS A 67 4.840 1.324 3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.617 3.001 3.202 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.720 2.168 4.279 1.00 0.00 H new ATOM 0 HG CYS A 67 6.546 1.052 1.263 1.00 0.00 H new ATOM 1080 N GLU A 68 5.128 -0.799 4.935 1.00 0.00 N ATOM 1081 CA GLU A 68 5.368 -2.191 5.292 1.00 0.00 C ATOM 1082 C GLU A 68 4.185 -3.029 4.837 1.00 0.00 C ATOM 1083 O GLU A 68 3.047 -2.765 5.224 1.00 0.00 O ATOM 1084 CB GLU A 68 5.600 -2.382 6.796 1.00 0.00 C ATOM 1085 CG GLU A 68 5.828 -3.840 7.170 1.00 0.00 C ATOM 1086 CD GLU A 68 6.306 -4.033 8.594 1.00 0.00 C ATOM 1087 OE1 GLU A 68 7.532 -3.957 8.826 1.00 0.00 O ATOM 1088 OE2 GLU A 68 5.470 -4.306 9.479 1.00 0.00 O ATOM 0 H GLU A 68 4.189 -0.626 4.576 1.00 0.00 H new ATOM 0 HA GLU A 68 6.280 -2.513 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.463 -1.792 7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.739 -2.000 7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.899 -4.392 7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.561 -4.271 6.488 1.00 0.00 H new ATOM 1095 N LEU A 69 4.448 -4.017 3.999 1.00 0.00 N ATOM 1096 CA LEU A 69 3.390 -4.866 3.484 1.00 0.00 C ATOM 1097 C LEU A 69 3.917 -6.264 3.186 1.00 0.00 C ATOM 1098 O LEU A 69 4.723 -6.459 2.272 1.00 0.00 O ATOM 1099 CB LEU A 69 2.782 -4.239 2.226 1.00 0.00 C ATOM 1100 CG LEU A 69 1.535 -4.933 1.680 1.00 0.00 C ATOM 1101 CD1 LEU A 69 0.440 -4.976 2.737 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.045 -4.214 0.434 1.00 0.00 C ATOM 0 H LEU A 69 5.382 -4.250 3.662 1.00 0.00 H new ATOM 0 HA LEU A 69 2.613 -4.954 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.532 -3.201 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.541 -4.227 1.444 1.00 0.00 H new ATOM 0 HG LEU A 69 1.792 -5.959 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.440 -5.474 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.797 -5.525 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.178 -3.960 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.156 -4.715 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.801 -3.181 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.826 -4.230 -0.326 1.00 0.00 H new ATOM 1114 N ASP A 70 3.468 -7.228 3.977 1.00 0.00 N ATOM 1115 CA ASP A 70 3.856 -8.620 3.791 1.00 0.00 C ATOM 1116 C ASP A 70 2.825 -9.319 2.919 1.00 0.00 C ATOM 1117 O ASP A 70 1.706 -9.583 3.358 1.00 0.00 O ATOM 1118 CB ASP A 70 3.966 -9.328 5.147 1.00 0.00 C ATOM 1119 CG ASP A 70 4.642 -10.689 5.064 1.00 0.00 C ATOM 1120 OD1 ASP A 70 4.434 -11.417 4.070 1.00 0.00 O ATOM 1121 OD2 ASP A 70 5.388 -11.038 6.005 1.00 0.00 O ATOM 0 H ASP A 70 2.831 -7.071 4.758 1.00 0.00 H new ATOM 0 HA ASP A 70 4.829 -8.658 3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.525 -8.694 5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.968 -9.451 5.566 1.00 0.00 H new ATOM 1126 N VAL A 71 3.194 -9.599 1.681 1.00 0.00 N ATOM 1127 CA VAL A 71 2.264 -10.192 0.732 1.00 0.00 C ATOM 1128 C VAL A 71 2.460 -11.702 0.624 1.00 0.00 C ATOM 1129 O VAL A 71 2.007 -12.330 -0.335 1.00 0.00 O ATOM 1130 CB VAL A 71 2.388 -9.536 -0.663 1.00 0.00 C ATOM 1131 CG1 VAL A 71 1.933 -8.085 -0.615 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.813 -9.629 -1.182 1.00 0.00 C ATOM 0 H VAL A 71 4.128 -9.426 1.309 1.00 0.00 H new ATOM 0 HA VAL A 71 1.260 -10.005 1.112 1.00 0.00 H new ATOM 0 HB VAL A 71 1.740 -10.080 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.028 -7.641 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.892 -8.041 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.553 -7.532 0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.874 -9.161 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.485 -9.117 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.104 -10.677 -1.261 1.00 0.00 H new ATOM 1142 N GLY A 72 3.128 -12.280 1.615 1.00 0.00 N ATOM 1143 CA GLY A 72 3.264 -13.724 1.688 1.00 0.00 C ATOM 1144 C GLY A 72 4.260 -14.292 0.693 1.00 0.00 C ATOM 1145 O GLY A 72 4.765 -13.577 -0.174 1.00 0.00 O ATOM 0 H GLY A 72 3.581 -11.771 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.572 -14.001 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.290 -14.181 1.516 1.00 0.00 H new ATOM 1149 N ALA A 73 4.541 -15.588 0.832 1.00 0.00 N ATOM 1150 CA ALA A 73 5.448 -16.317 -0.062 1.00 0.00 C ATOM 1151 C ALA A 73 6.892 -15.838 0.067 1.00 0.00 C ATOM 1152 O ALA A 73 7.705 -16.035 -0.837 1.00 0.00 O ATOM 1153 CB ALA A 73 4.983 -16.221 -1.507 1.00 0.00 C ATOM 0 H ALA A 73 4.144 -16.167 1.572 1.00 0.00 H new ATOM 0 HA ALA A 73 5.422 -17.363 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.673 -16.770 -2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.985 -16.649 -1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.958 -15.175 -1.812 1.00 0.00 H new ATOM 1159 N GLY A 74 7.203 -15.211 1.194 1.00 0.00 N ATOM 1160 CA GLY A 74 8.566 -14.794 1.469 1.00 0.00 C ATOM 1161 C GLY A 74 8.941 -13.507 0.770 1.00 0.00 C ATOM 1162 O GLY A 74 10.067 -13.027 0.896 1.00 0.00 O ATOM 0 H GLY A 74 6.532 -14.982 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.692 -14.667 2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.251 -15.583 1.159 1.00 0.00 H new ATOM 1166 N LYS A 75 7.998 -12.938 0.037 1.00 0.00 N ATOM 1167 CA LYS A 75 8.245 -11.702 -0.678 1.00 0.00 C ATOM 1168 C LYS A 75 7.581 -10.535 0.039 1.00 0.00 C ATOM 1169 O LYS A 75 6.536 -10.693 0.673 1.00 0.00 O ATOM 1170 CB LYS A 75 7.747 -11.800 -2.124 1.00 0.00 C ATOM 1171 CG LYS A 75 6.256 -12.051 -2.246 1.00 0.00 C ATOM 1172 CD LYS A 75 5.813 -12.083 -3.693 1.00 0.00 C ATOM 1173 CE LYS A 75 4.314 -12.308 -3.816 1.00 0.00 C ATOM 1174 NZ LYS A 75 3.901 -13.608 -3.225 1.00 0.00 N ATOM 0 H LYS A 75 7.057 -13.314 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 75 9.321 -11.529 -0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.994 -10.875 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.283 -12.604 -2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.005 -12.998 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.710 -11.271 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.081 -11.144 -4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.345 -12.876 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.783 -11.497 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.027 -12.279 -4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.896 -13.780 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.475 -14.373 -3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.043 -13.582 -2.195 1.00 0.00 H new ATOM 1188 N TYR A 76 8.199 -9.373 -0.051 1.00 0.00 N ATOM 1189 CA TYR A 76 7.675 -8.180 0.589 1.00 0.00 C ATOM 1190 C TYR A 76 7.492 -7.087 -0.442 1.00 0.00 C ATOM 1191 O TYR A 76 8.225 -7.035 -1.430 1.00 0.00 O ATOM 1192 CB TYR A 76 8.612 -7.708 1.702 1.00 0.00 C ATOM 1193 CG TYR A 76 8.832 -8.744 2.778 1.00 0.00 C ATOM 1194 CD1 TYR A 76 7.886 -8.946 3.772 1.00 0.00 C ATOM 1195 CD2 TYR A 76 9.975 -9.533 2.789 1.00 0.00 C ATOM 1196 CE1 TYR A 76 8.073 -9.901 4.750 1.00 0.00 C ATOM 1197 CE2 TYR A 76 10.167 -10.494 3.762 1.00 0.00 C ATOM 1198 CZ TYR A 76 9.212 -10.673 4.741 1.00 0.00 C ATOM 1199 OH TYR A 76 9.391 -11.634 5.708 1.00 0.00 O ATOM 0 H TYR A 76 9.069 -9.229 -0.564 1.00 0.00 H new ATOM 0 HA TYR A 76 6.709 -8.417 1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.574 -7.437 1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.201 -6.806 2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.988 -8.346 3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 76 10.725 -9.393 2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.328 -10.042 5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.060 -11.102 3.756 1.00 0.00 H new ATOM 0 HH TYR A 76 10.245 -12.092 5.560 1.00 0.00 H new ATOM 1209 N LEU A 77 6.510 -6.231 -0.230 1.00 0.00 N ATOM 1210 CA LEU A 77 6.249 -5.150 -1.161 1.00 0.00 C ATOM 1211 C LEU A 77 6.817 -3.844 -0.619 1.00 0.00 C ATOM 1212 O LEU A 77 6.386 -3.355 0.426 1.00 0.00 O ATOM 1213 CB LEU A 77 4.745 -5.008 -1.405 1.00 0.00 C ATOM 1214 CG LEU A 77 4.369 -4.293 -2.703 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.751 -5.149 -3.898 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.883 -3.970 -2.735 1.00 0.00 C ATOM 0 H LEU A 77 5.883 -6.263 0.574 1.00 0.00 H new ATOM 0 HA LEU A 77 6.735 -5.381 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.297 -6.002 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.305 -4.466 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 77 4.919 -3.353 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.479 -4.631 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.826 -5.330 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.222 -6.101 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.641 -3.462 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.308 -4.894 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.633 -3.323 -1.894 1.00 0.00 H new ATOM 1228 N GLN A 78 7.798 -3.297 -1.318 1.00 0.00 N ATOM 1229 CA GLN A 78 8.410 -2.038 -0.920 1.00 0.00 C ATOM 1230 C GLN A 78 8.262 -1.014 -2.034 1.00 0.00 C ATOM 1231 O GLN A 78 8.536 -1.313 -3.189 1.00 0.00 O ATOM 1232 CB GLN A 78 9.894 -2.241 -0.610 1.00 0.00 C ATOM 1233 CG GLN A 78 10.567 -1.003 -0.041 1.00 0.00 C ATOM 1234 CD GLN A 78 12.079 -1.082 -0.086 1.00 0.00 C ATOM 1235 OE1 GLN A 78 12.661 -2.167 -0.028 1.00 0.00 O ATOM 1236 NE2 GLN A 78 12.724 0.069 -0.175 1.00 0.00 N ATOM 0 H GLN A 78 8.189 -3.706 -2.167 1.00 0.00 H new ATOM 0 HA GLN A 78 7.906 -1.676 -0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.000 -3.062 0.099 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.411 -2.539 -1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.237 -0.127 -0.599 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.246 -0.863 0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.202 0.944 -0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.744 0.082 -0.198 1.00 0.00 H new ATOM 1245 N TRP A 79 7.828 0.184 -1.696 1.00 0.00 N ATOM 1246 CA TRP A 79 7.713 1.243 -2.684 1.00 0.00 C ATOM 1247 C TRP A 79 8.466 2.481 -2.217 1.00 0.00 C ATOM 1248 O TRP A 79 8.525 2.772 -1.021 1.00 0.00 O ATOM 1249 CB TRP A 79 6.240 1.576 -2.970 1.00 0.00 C ATOM 1250 CG TRP A 79 5.484 2.104 -1.786 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.281 3.416 -1.469 1.00 0.00 C ATOM 1252 CD2 TRP A 79 4.822 1.340 -0.769 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.544 3.515 -0.315 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.252 2.255 0.134 1.00 0.00 C ATOM 1255 CE3 TRP A 79 4.667 -0.030 -0.532 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 3.529 1.846 1.249 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 3.949 -0.435 0.577 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.391 0.501 1.457 1.00 0.00 C ATOM 0 H TRP A 79 7.550 0.450 -0.751 1.00 0.00 H new ATOM 0 HA TRP A 79 8.160 0.893 -3.615 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.196 2.312 -3.772 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.741 0.678 -3.334 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.647 4.255 -2.043 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.260 4.385 0.135 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.100 -0.757 -1.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.092 2.564 1.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 3.816 -1.490 0.768 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.840 0.153 2.318 1.00 0.00 H new ATOM 1269 N TYR A 80 9.073 3.184 -3.155 1.00 0.00 N ATOM 1270 CA TYR A 80 9.773 4.421 -2.844 1.00 0.00 C ATOM 1271 C TYR A 80 9.533 5.449 -3.938 1.00 0.00 C ATOM 1272 O TYR A 80 9.241 5.095 -5.082 1.00 0.00 O ATOM 1273 CB TYR A 80 11.276 4.169 -2.644 1.00 0.00 C ATOM 1274 CG TYR A 80 11.988 3.586 -3.845 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.025 2.215 -4.056 1.00 0.00 C ATOM 1276 CD2 TYR A 80 12.633 4.408 -4.759 1.00 0.00 C ATOM 1277 CE1 TYR A 80 12.682 1.680 -5.144 1.00 0.00 C ATOM 1278 CE2 TYR A 80 13.292 3.880 -5.851 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.314 2.517 -6.038 1.00 0.00 C ATOM 1280 OH TYR A 80 13.968 1.986 -7.125 1.00 0.00 O ATOM 0 H TYR A 80 9.097 2.921 -4.140 1.00 0.00 H new ATOM 0 HA TYR A 80 9.378 4.815 -1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.755 5.111 -2.377 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.407 3.494 -1.799 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.531 1.556 -3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.619 5.478 -4.613 1.00 0.00 H new ATOM 0 HE1 TYR A 80 12.701 0.611 -5.295 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.787 4.533 -6.554 1.00 0.00 H new ATOM 0 HH TYR A 80 14.359 2.710 -7.657 1.00 0.00 H new ATOM 1290 N ALA A 81 9.652 6.715 -3.581 1.00 0.00 N ATOM 1291 CA ALA A 81 9.356 7.798 -4.503 1.00 0.00 C ATOM 1292 C ALA A 81 10.589 8.199 -5.294 1.00 0.00 C ATOM 1293 O ALA A 81 11.666 8.396 -4.727 1.00 0.00 O ATOM 1294 CB ALA A 81 8.807 8.996 -3.745 1.00 0.00 C ATOM 0 H ALA A 81 9.953 7.020 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 81 8.603 7.445 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.589 9.801 -4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.893 8.710 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.545 9.337 -3.019 1.00 0.00 H new ATOM 1300 N VAL A 82 10.436 8.313 -6.604 1.00 0.00 N ATOM 1301 CA VAL A 82 11.512 8.794 -7.450 1.00 0.00 C ATOM 1302 C VAL A 82 11.073 10.025 -8.230 1.00 0.00 C ATOM 1303 O VAL A 82 10.357 9.934 -9.225 1.00 0.00 O ATOM 1304 CB VAL A 82 12.025 7.714 -8.429 1.00 0.00 C ATOM 1305 CG1 VAL A 82 12.906 6.710 -7.707 1.00 0.00 C ATOM 1306 CG2 VAL A 82 10.871 6.995 -9.112 1.00 0.00 C ATOM 0 H VAL A 82 9.577 8.079 -7.102 1.00 0.00 H new ATOM 0 HA VAL A 82 12.336 9.056 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 82 12.616 8.218 -9.194 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.256 5.958 -8.414 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.762 7.225 -7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.333 6.225 -6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.265 6.242 -9.794 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.247 6.513 -8.360 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.274 7.715 -9.672 1.00 0.00 H new