USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 578 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 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0121 K(o=-0.012,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.72 X(o=-2.7,f=-2.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.74 X(o=-0.74,f=-1.1) USER MOD Single : A 56 SER OG : rot -136:sc= 0.966 USER MOD Single : A 57 HIS : no HD1:sc= -3.24 K(o=-3.2,f=-2.3) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -164:sc= -0.983 USER MOD Single : A 63 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-2.7!) USER MOD Single : A 64 GLN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 48:sc= 0.0774 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0407) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.734 4.280 -4.428 1.00 0.00 N ATOM 125 CA TYR A 11 11.331 4.254 -3.032 1.00 0.00 C ATOM 126 C TYR A 11 10.606 5.545 -2.647 1.00 0.00 C ATOM 127 O TYR A 11 10.647 6.528 -3.385 1.00 0.00 O ATOM 128 CB TYR A 11 12.623 4.147 -2.221 1.00 0.00 C ATOM 129 CG TYR A 11 13.372 2.827 -2.414 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.674 1.638 -2.458 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.746 2.825 -2.545 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.378 0.395 -2.639 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.451 1.583 -2.727 1.00 0.00 C ATOM 134 CZ TYR A 11 14.732 0.429 -2.765 1.00 0.00 C ATOM 135 OH TYR A 11 15.397 -0.745 -2.937 1.00 0.00 O ATOM 0 HA TYR A 11 10.651 3.423 -2.845 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.282 4.970 -2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.387 4.268 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.599 1.639 -2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.293 3.756 -2.511 1.00 0.00 H new ATOM 0 HE1 TYR A 11 12.843 -0.543 -2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.526 1.568 -2.831 1.00 0.00 H new ATOM 0 HH TYR A 11 16.358 -0.568 -3.013 1.00 0.00 H new ATOM 145 N LYS A 12 9.959 5.501 -1.491 1.00 0.00 N ATOM 146 CA LYS A 12 9.227 6.655 -0.999 1.00 0.00 C ATOM 147 C LYS A 12 8.322 7.191 -2.110 1.00 0.00 C ATOM 148 O LYS A 12 8.497 8.320 -2.568 1.00 0.00 O ATOM 149 CB LYS A 12 10.190 7.699 -0.432 1.00 0.00 C ATOM 150 CG LYS A 12 10.547 7.384 1.022 1.00 0.00 C ATOM 151 CD LYS A 12 10.193 8.556 1.940 1.00 0.00 C ATOM 152 CE LYS A 12 11.072 9.772 1.640 1.00 0.00 C ATOM 153 NZ LYS A 12 12.145 9.898 2.652 1.00 0.00 N ATOM 0 H LYS A 12 9.927 4.684 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 12 8.579 6.370 -0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.098 7.727 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.736 8.688 -0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.014 6.490 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.612 7.166 1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.144 8.820 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.320 8.259 2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.510 9.675 0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.463 10.676 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.732 10.728 2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.721 10.012 3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.736 9.043 2.639 1.00 0.00 H new ATOM 167 N GLN A 13 7.374 6.358 -2.512 1.00 0.00 N ATOM 168 CA GLN A 13 6.442 6.734 -3.561 1.00 0.00 C ATOM 169 C GLN A 13 5.083 6.070 -3.328 1.00 0.00 C ATOM 170 O GLN A 13 5.016 4.898 -2.963 1.00 0.00 O ATOM 171 CB GLN A 13 6.996 6.377 -4.942 1.00 0.00 C ATOM 172 CG GLN A 13 5.946 6.605 -6.031 1.00 0.00 C ATOM 173 CD GLN A 13 6.579 6.555 -7.423 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.782 6.422 -7.582 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.705 6.668 -8.419 1.00 0.00 N ATOM 0 H GLN A 13 7.231 5.423 -2.130 1.00 0.00 H new ATOM 0 HA GLN A 13 6.307 7.815 -3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.879 6.982 -5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.314 5.335 -4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.167 5.846 -5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.465 7.572 -5.881 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.711 6.777 -8.216 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.028 6.646 -9.386 1.00 0.00 H new ATOM 184 N ILE A 14 4.034 6.849 -3.548 1.00 0.00 N ATOM 185 CA ILE A 14 2.681 6.351 -3.366 1.00 0.00 C ATOM 186 C ILE A 14 2.237 5.619 -4.633 1.00 0.00 C ATOM 187 O ILE A 14 2.341 6.158 -5.734 1.00 0.00 O ATOM 188 CB ILE A 14 1.744 7.487 -2.951 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.370 8.338 -1.843 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.370 6.945 -2.550 1.00 0.00 C ATOM 191 CD1 ILE A 14 2.113 7.721 -0.467 1.00 0.00 C ATOM 0 H ILE A 14 4.094 7.821 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 14 2.647 5.627 -2.552 1.00 0.00 H new ATOM 0 HB ILE A 14 1.595 8.139 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.443 8.428 -2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.957 9.346 -1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.277 7.773 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.073 6.417 -3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.480 6.259 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.568 8.345 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.039 7.655 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.549 6.723 -0.429 1.00 0.00 H new ATOM 203 N VAL A 15 1.751 4.402 -4.436 1.00 0.00 N ATOM 204 CA VAL A 15 1.291 3.591 -5.550 1.00 0.00 C ATOM 205 C VAL A 15 0.165 2.671 -5.074 1.00 0.00 C ATOM 206 O VAL A 15 -0.038 2.503 -3.872 1.00 0.00 O ATOM 207 CB VAL A 15 2.467 2.828 -6.164 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.228 3.705 -7.160 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.402 2.295 -5.076 1.00 0.00 C ATOM 0 H VAL A 15 1.666 3.958 -3.522 1.00 0.00 H new ATOM 0 HA VAL A 15 0.884 4.223 -6.339 1.00 0.00 H new ATOM 0 HB VAL A 15 2.065 1.973 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.059 3.139 -7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.556 4.014 -7.960 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.613 4.587 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.229 1.757 -5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.793 3.128 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.851 1.620 -4.421 1.00 0.00 H new ATOM 219 N TRP A 16 -0.537 2.098 -6.041 1.00 0.00 N ATOM 220 CA TRP A 16 -1.637 1.199 -5.735 1.00 0.00 C ATOM 221 C TRP A 16 -1.085 -0.227 -5.696 1.00 0.00 C ATOM 222 O TRP A 16 -0.010 -0.495 -6.230 1.00 0.00 O ATOM 223 CB TRP A 16 -2.780 1.371 -6.737 1.00 0.00 C ATOM 224 CG TRP A 16 -3.531 2.697 -6.604 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.316 3.838 -7.274 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.633 2.976 -5.715 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.195 4.827 -6.884 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.021 4.286 -5.905 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.280 2.148 -4.781 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.070 4.885 -5.198 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.326 2.762 -4.081 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.729 4.080 -4.261 1.00 0.00 C ATOM 0 H TRP A 16 -0.365 2.239 -7.037 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.067 1.432 -4.761 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.378 1.293 -7.747 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.487 0.551 -6.610 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.551 3.967 -8.025 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.232 5.780 -7.247 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.993 1.120 -4.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.356 5.913 -5.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.857 2.170 -3.350 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.547 4.481 -3.681 1.00 0.00 H new ATOM 243 N VAL A 17 -1.846 -1.105 -5.059 1.00 0.00 N ATOM 244 CA VAL A 17 -1.446 -2.497 -4.944 1.00 0.00 C ATOM 245 C VAL A 17 -2.553 -3.390 -5.509 1.00 0.00 C ATOM 246 O VAL A 17 -3.736 -3.114 -5.317 1.00 0.00 O ATOM 247 CB VAL A 17 -1.099 -2.823 -3.490 1.00 0.00 C ATOM 248 CG1 VAL A 17 -2.366 -3.004 -2.651 1.00 0.00 C ATOM 249 CG2 VAL A 17 -0.204 -4.061 -3.404 1.00 0.00 C ATOM 0 H VAL A 17 -2.737 -0.879 -4.617 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.546 -2.685 -5.529 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.544 -1.979 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.091 -3.235 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.951 -2.085 -2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.960 -3.822 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.028 -4.271 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.722 -4.915 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.721 -3.880 -3.952 1.00 0.00 H new ATOM 259 N LYS A 18 -2.129 -4.441 -6.194 1.00 0.00 N ATOM 260 CA LYS A 18 -3.070 -5.376 -6.789 1.00 0.00 C ATOM 261 C LYS A 18 -3.204 -6.602 -5.884 1.00 0.00 C ATOM 262 O LYS A 18 -2.235 -7.329 -5.670 1.00 0.00 O ATOM 263 CB LYS A 18 -2.657 -5.712 -8.223 1.00 0.00 C ATOM 264 CG LYS A 18 -3.883 -5.996 -9.094 1.00 0.00 C ATOM 265 CD LYS A 18 -3.495 -6.786 -10.345 1.00 0.00 C ATOM 266 CE LYS A 18 -3.940 -8.246 -10.231 1.00 0.00 C ATOM 267 NZ LYS A 18 -5.237 -8.447 -10.915 1.00 0.00 N ATOM 0 H LYS A 18 -1.147 -4.667 -6.351 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.060 -4.925 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.090 -4.883 -8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.998 -6.580 -8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.620 -6.557 -8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.353 -5.056 -9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.952 -6.330 -11.224 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.415 -6.741 -10.488 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.185 -8.898 -10.671 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.029 -8.524 -9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.525 -9.443 -10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.958 -7.839 -10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.141 -8.201 -11.921 1.00 0.00 H new ATOM 366 N TRP A 24 -8.559 -2.374 -5.409 1.00 0.00 N ATOM 367 CA TRP A 24 -7.135 -2.305 -5.127 1.00 0.00 C ATOM 368 C TRP A 24 -6.956 -1.659 -3.751 1.00 0.00 C ATOM 369 O TRP A 24 -7.929 -1.229 -3.132 1.00 0.00 O ATOM 370 CB TRP A 24 -6.391 -1.561 -6.238 1.00 0.00 C ATOM 371 CG TRP A 24 -6.645 -2.121 -7.639 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.819 -2.444 -8.198 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.649 -2.412 -8.642 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.653 -2.920 -9.483 1.00 0.00 N ATOM 375 CE2 TRP A 24 -6.292 -2.899 -9.761 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.251 -2.267 -8.604 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -5.617 -3.283 -10.927 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -3.591 -2.655 -9.777 1.00 0.00 C ATOM 379 CH2 TRP A 24 -4.224 -3.148 -10.912 1.00 0.00 C ATOM 0 HA TRP A 24 -6.698 -3.303 -5.103 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.685 -0.512 -6.218 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.321 -1.596 -6.032 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.775 -2.344 -7.705 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -8.393 -3.230 -10.113 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.728 -1.887 -7.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.143 -3.663 -11.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.515 -2.565 -9.801 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.643 -3.426 -11.779 1.00 0.00 H new ATOM 390 N TRP A 25 -5.707 -1.610 -3.314 1.00 0.00 N ATOM 391 CA TRP A 25 -5.388 -1.023 -2.023 1.00 0.00 C ATOM 392 C TRP A 25 -4.185 -0.096 -2.209 1.00 0.00 C ATOM 393 O TRP A 25 -3.257 -0.419 -2.949 1.00 0.00 O ATOM 394 CB TRP A 25 -5.150 -2.108 -0.971 1.00 0.00 C ATOM 395 CG TRP A 25 -5.226 -1.605 0.471 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.262 -1.017 1.192 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.374 -1.668 1.345 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.701 -0.699 2.461 1.00 0.00 N ATOM 399 CE2 TRP A 25 -6.026 -1.107 2.557 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.663 -2.182 1.118 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.912 -1.006 3.637 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.535 -2.074 2.207 1.00 0.00 C ATOM 403 CH2 TRP A 25 -8.201 -1.512 3.434 1.00 0.00 C ATOM 0 H TRP A 25 -4.903 -1.967 -3.831 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.226 -0.435 -1.649 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.887 -2.900 -1.108 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.169 -2.553 -1.138 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.266 -0.817 0.826 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -4.154 -0.248 3.194 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.957 -2.625 0.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.616 -0.562 4.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.539 -2.454 2.086 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.933 -1.466 4.227 1.00 0.00 H new ATOM 414 N PRO A 26 -4.242 1.067 -1.506 1.00 0.00 N ATOM 415 CA PRO A 26 -3.169 2.043 -1.587 1.00 0.00 C ATOM 416 C PRO A 26 -1.947 1.581 -0.790 1.00 0.00 C ATOM 417 O PRO A 26 -2.086 0.946 0.254 1.00 0.00 O ATOM 418 CB PRO A 26 -3.770 3.334 -1.056 1.00 0.00 C ATOM 419 CG PRO A 26 -5.005 2.926 -0.269 1.00 0.00 C ATOM 420 CD PRO A 26 -5.326 1.482 -0.620 1.00 0.00 C ATOM 0 HA PRO A 26 -2.801 2.179 -2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.060 3.863 -0.421 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.032 4.008 -1.872 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.826 3.028 0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.846 3.575 -0.515 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.369 0.858 0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.294 1.400 -1.114 1.00 0.00 H new ATOM 428 N ALA A 27 -0.777 1.917 -1.313 1.00 0.00 N ATOM 429 CA ALA A 27 0.468 1.545 -0.664 1.00 0.00 C ATOM 430 C ALA A 27 1.573 2.510 -1.099 1.00 0.00 C ATOM 431 O ALA A 27 1.450 3.179 -2.124 1.00 0.00 O ATOM 432 CB ALA A 27 0.801 0.089 -0.995 1.00 0.00 C ATOM 0 H ALA A 27 -0.665 2.443 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 27 0.374 1.619 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.735 -0.190 -0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.001 -0.558 -0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.906 -0.024 -2.074 1.00 0.00 H new ATOM 438 N GLU A 28 2.628 2.551 -0.298 1.00 0.00 N ATOM 439 CA GLU A 28 3.754 3.422 -0.588 1.00 0.00 C ATOM 440 C GLU A 28 5.063 2.631 -0.543 1.00 0.00 C ATOM 441 O GLU A 28 5.348 1.951 0.442 1.00 0.00 O ATOM 442 CB GLU A 28 3.795 4.605 0.382 1.00 0.00 C ATOM 443 CG GLU A 28 5.060 5.441 0.173 1.00 0.00 C ATOM 444 CD GLU A 28 5.791 5.669 1.498 1.00 0.00 C ATOM 445 OE1 GLU A 28 5.133 6.185 2.427 1.00 0.00 O ATOM 446 OE2 GLU A 28 6.990 5.322 1.551 1.00 0.00 O ATOM 0 H GLU A 28 2.726 1.995 0.551 1.00 0.00 H new ATOM 0 HA GLU A 28 3.629 3.822 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.914 5.230 0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.761 4.240 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.722 4.936 -0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.797 6.401 -0.271 1.00 0.00 H new ATOM 453 N ILE A 29 5.824 2.746 -1.621 1.00 0.00 N ATOM 454 CA ILE A 29 7.096 2.050 -1.717 1.00 0.00 C ATOM 455 C ILE A 29 8.074 2.641 -0.700 1.00 0.00 C ATOM 456 O ILE A 29 8.275 3.854 -0.659 1.00 0.00 O ATOM 457 CB ILE A 29 7.614 2.078 -3.157 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.641 1.372 -4.104 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.025 1.491 -3.243 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.086 1.524 -5.560 1.00 0.00 C ATOM 0 H ILE A 29 5.584 3.311 -2.436 1.00 0.00 H new ATOM 0 HA ILE A 29 6.974 0.996 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 29 7.677 3.118 -3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.580 0.314 -3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.641 1.788 -3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.370 1.523 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.700 2.074 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.011 0.458 -2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.378 1.013 -6.212 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.122 2.582 -5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.076 1.085 -5.686 1.00 0.00 H new ATOM 472 N CYS A 30 8.657 1.756 0.096 1.00 0.00 N ATOM 473 CA CYS A 30 9.609 2.175 1.110 1.00 0.00 C ATOM 474 C CYS A 30 10.992 1.652 0.716 1.00 0.00 C ATOM 475 O CYS A 30 11.126 0.917 -0.261 1.00 0.00 O ATOM 476 CB CYS A 30 9.195 1.701 2.505 1.00 0.00 C ATOM 477 SG CYS A 30 9.457 3.039 3.725 1.00 0.00 S ATOM 0 H CYS A 30 8.488 0.751 0.059 1.00 0.00 H new ATOM 0 HA CYS A 30 9.635 3.264 1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.147 1.402 2.500 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.775 0.822 2.787 1.00 0.00 H new ATOM 0 HG CYS A 30 9.100 2.626 4.905 1.00 0.00 H new ATOM 483 N ASN A 31 11.985 2.050 1.498 1.00 0.00 N ATOM 484 CA ASN A 31 13.352 1.631 1.243 1.00 0.00 C ATOM 485 C ASN A 31 13.672 0.403 2.098 1.00 0.00 C ATOM 486 O ASN A 31 13.001 0.145 3.096 1.00 0.00 O ATOM 487 CB ASN A 31 14.345 2.735 1.611 1.00 0.00 C ATOM 488 CG ASN A 31 13.788 4.114 1.253 1.00 0.00 C ATOM 489 OD1 ASN A 31 14.063 4.670 0.202 1.00 0.00 O ATOM 490 ND2 ASN A 31 12.992 4.635 2.183 1.00 0.00 N ATOM 0 H ASN A 31 11.870 2.658 2.309 1.00 0.00 H new ATOM 0 HA ASN A 31 13.442 1.405 0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.563 2.692 2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.287 2.572 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.571 5.553 2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.803 4.117 3.041 1.00 0.00 H new ATOM 497 N PRO A 32 14.724 -0.341 1.664 1.00 0.00 N ATOM 498 CA PRO A 32 15.142 -1.536 2.379 1.00 0.00 C ATOM 499 C PRO A 32 15.884 -1.173 3.666 1.00 0.00 C ATOM 500 O PRO A 32 15.995 -1.994 4.575 1.00 0.00 O ATOM 501 CB PRO A 32 16.005 -2.304 1.391 1.00 0.00 C ATOM 502 CG PRO A 32 16.420 -1.297 0.330 1.00 0.00 C ATOM 503 CD PRO A 32 15.542 -0.066 0.486 1.00 0.00 C ATOM 0 HA PRO A 32 14.300 -2.145 2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.877 -2.733 1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.450 -3.131 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.471 -1.033 0.445 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.306 -1.724 -0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.142 0.834 0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.923 0.094 -0.397 1.00 0.00 H new ATOM 511 N ARG A 33 16.374 0.058 3.702 1.00 0.00 N ATOM 512 CA ARG A 33 17.103 0.539 4.863 1.00 0.00 C ATOM 513 C ARG A 33 16.140 1.172 5.870 1.00 0.00 C ATOM 514 O ARG A 33 16.510 1.420 7.017 1.00 0.00 O ATOM 515 CB ARG A 33 18.160 1.569 4.461 1.00 0.00 C ATOM 516 CG ARG A 33 19.203 0.950 3.529 1.00 0.00 C ATOM 517 CD ARG A 33 20.347 0.321 4.327 1.00 0.00 C ATOM 518 NE ARG A 33 21.575 1.132 4.177 1.00 0.00 N ATOM 519 CZ ARG A 33 22.610 1.093 5.028 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.571 0.282 6.094 1.00 0.00 N ATOM 521 NH2 ARG A 33 23.684 1.865 4.813 1.00 0.00 N ATOM 0 H ARG A 33 16.280 0.736 2.946 1.00 0.00 H new ATOM 0 HA ARG A 33 17.601 -0.316 5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.680 2.413 3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.650 1.959 5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.732 0.192 2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.599 1.715 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.073 0.253 5.380 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.528 -0.696 3.979 1.00 0.00 H new ATOM 0 HE ARG A 33 21.638 1.760 3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.754 -0.306 6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.359 0.252 6.741 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.714 2.482 4.002 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.471 1.835 5.461 1.00 0.00 H new ATOM 535 N SER A 34 14.924 1.416 5.404 1.00 0.00 N ATOM 536 CA SER A 34 13.906 2.016 6.249 1.00 0.00 C ATOM 537 C SER A 34 13.184 0.929 7.049 1.00 0.00 C ATOM 538 O SER A 34 13.309 0.867 8.271 1.00 0.00 O ATOM 539 CB SER A 34 12.902 2.818 5.418 1.00 0.00 C ATOM 540 OG SER A 34 12.844 4.182 5.824 1.00 0.00 O ATOM 0 H SER A 34 14.621 1.209 4.452 1.00 0.00 H new ATOM 0 HA SER A 34 14.396 2.703 6.939 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.178 2.764 4.365 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.913 2.369 5.512 1.00 0.00 H new ATOM 0 HG SER A 34 12.194 4.661 5.269 1.00 0.00 H new ATOM 546 N VAL A 35 12.444 0.101 6.327 1.00 0.00 N ATOM 547 CA VAL A 35 11.702 -0.980 6.955 1.00 0.00 C ATOM 548 C VAL A 35 12.577 -1.643 8.020 1.00 0.00 C ATOM 549 O VAL A 35 13.803 -1.553 7.965 1.00 0.00 O ATOM 550 CB VAL A 35 11.207 -1.962 5.891 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.444 -1.232 4.784 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.368 -2.774 5.313 1.00 0.00 C ATOM 0 H VAL A 35 12.342 0.156 5.314 1.00 0.00 H new ATOM 0 HA VAL A 35 10.816 -0.593 7.458 1.00 0.00 H new ATOM 0 HB VAL A 35 10.518 -2.657 6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.103 -1.953 4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.583 -0.719 5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.101 -0.504 4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.989 -3.464 4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.092 -2.099 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.851 -3.338 6.111 1.00 0.00 H new ATOM 562 N PRO A 36 11.896 -2.311 8.989 1.00 0.00 N ATOM 563 CA PRO A 36 12.599 -2.989 10.065 1.00 0.00 C ATOM 564 C PRO A 36 13.238 -4.288 9.570 1.00 0.00 C ATOM 565 O PRO A 36 12.743 -4.909 8.631 1.00 0.00 O ATOM 566 CB PRO A 36 11.548 -3.215 11.140 1.00 0.00 C ATOM 567 CG PRO A 36 10.204 -3.078 10.444 1.00 0.00 C ATOM 568 CD PRO A 36 10.445 -2.438 9.086 1.00 0.00 C ATOM 0 HA PRO A 36 13.432 -2.405 10.457 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.656 -4.202 11.590 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.648 -2.485 11.943 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.733 -4.054 10.328 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.526 -2.466 11.039 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.047 -3.055 8.281 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.957 -1.466 9.014 1.00 0.00 H new ATOM 576 N LEU A 37 14.328 -4.661 10.225 1.00 0.00 N ATOM 577 CA LEU A 37 15.039 -5.875 9.863 1.00 0.00 C ATOM 578 C LEU A 37 14.034 -7.011 9.665 1.00 0.00 C ATOM 579 O LEU A 37 14.217 -7.863 8.797 1.00 0.00 O ATOM 580 CB LEU A 37 16.125 -6.187 10.894 1.00 0.00 C ATOM 581 CG LEU A 37 17.565 -5.913 10.456 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.922 -6.722 9.207 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.802 -4.415 10.256 1.00 0.00 C ATOM 0 H LEU A 37 14.736 -4.144 11.004 1.00 0.00 H new ATOM 0 HA LEU A 37 15.560 -5.742 8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.923 -5.605 11.793 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.044 -7.238 11.170 1.00 0.00 H new ATOM 0 HG LEU A 37 18.232 -6.241 11.253 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.951 -6.509 8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.818 -7.786 9.421 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.251 -6.449 8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.833 -4.248 9.945 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.126 -4.039 9.488 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.616 -3.889 11.192 1.00 0.00 H new ATOM 595 N ASN A 38 12.993 -6.986 10.485 1.00 0.00 N ATOM 596 CA ASN A 38 11.958 -8.003 10.412 1.00 0.00 C ATOM 597 C ASN A 38 11.589 -8.245 8.947 1.00 0.00 C ATOM 598 O ASN A 38 11.433 -9.389 8.523 1.00 0.00 O ATOM 599 CB ASN A 38 10.695 -7.558 11.150 1.00 0.00 C ATOM 600 CG ASN A 38 10.448 -8.424 12.387 1.00 0.00 C ATOM 601 OD1 ASN A 38 10.727 -8.040 13.511 1.00 0.00 O ATOM 602 ND2 ASN A 38 9.911 -9.610 12.118 1.00 0.00 N ATOM 0 H ASN A 38 12.844 -6.277 11.203 1.00 0.00 H new ATOM 0 HA ASN A 38 12.345 -8.911 10.875 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.792 -6.514 11.446 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.837 -7.621 10.480 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.708 -10.262 12.876 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.702 -9.868 11.154 1.00 0.00 H new ATOM 609 N ILE A 39 11.462 -7.148 8.214 1.00 0.00 N ATOM 610 CA ILE A 39 11.114 -7.226 6.805 1.00 0.00 C ATOM 611 C ILE A 39 12.354 -7.620 5.999 1.00 0.00 C ATOM 612 O ILE A 39 12.308 -8.553 5.200 1.00 0.00 O ATOM 613 CB ILE A 39 10.467 -5.920 6.340 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.489 -5.389 7.389 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.803 -6.094 4.972 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.487 -6.469 7.802 1.00 0.00 C ATOM 0 H ILE A 39 11.594 -6.201 8.569 1.00 0.00 H new ATOM 0 HA ILE A 39 10.366 -8.002 6.639 1.00 0.00 H new ATOM 0 HB ILE A 39 11.251 -5.172 6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.040 -5.046 8.264 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.955 -4.526 6.990 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.351 -5.151 4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.552 -6.393 4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.032 -6.862 5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.803 -6.065 8.549 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.920 -6.793 6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.022 -7.320 8.223 1.00 0.00 H new ATOM 628 N GLN A 40 13.432 -6.888 6.238 1.00 0.00 N ATOM 629 CA GLN A 40 14.682 -7.149 5.545 1.00 0.00 C ATOM 630 C GLN A 40 15.015 -8.642 5.593 1.00 0.00 C ATOM 631 O GLN A 40 15.700 -9.157 4.712 1.00 0.00 O ATOM 632 CB GLN A 40 15.821 -6.314 6.134 1.00 0.00 C ATOM 633 CG GLN A 40 15.517 -4.818 6.026 1.00 0.00 C ATOM 634 CD GLN A 40 16.727 -3.982 6.447 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.859 -4.252 6.081 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.426 -2.952 7.233 1.00 0.00 N ATOM 0 H GLN A 40 13.466 -6.114 6.902 1.00 0.00 H new ATOM 0 HA GLN A 40 14.563 -6.857 4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.971 -6.584 7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.750 -6.539 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.240 -4.573 5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.662 -4.570 6.656 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.457 -2.782 7.502 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.164 -2.332 7.566 1.00 0.00 H new ATOM 645 N GLY A 41 14.513 -9.293 6.632 1.00 0.00 N ATOM 646 CA GLY A 41 14.749 -10.717 6.807 1.00 0.00 C ATOM 647 C GLY A 41 14.025 -11.528 5.731 1.00 0.00 C ATOM 648 O GLY A 41 14.479 -12.606 5.351 1.00 0.00 O ATOM 0 H GLY A 41 13.944 -8.862 7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.819 -10.920 6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.406 -11.028 7.794 1.00 0.00 H new ATOM 652 N LEU A 42 12.911 -10.979 5.270 1.00 0.00 N ATOM 653 CA LEU A 42 12.119 -11.639 4.245 1.00 0.00 C ATOM 654 C LEU A 42 13.015 -11.969 3.050 1.00 0.00 C ATOM 655 O LEU A 42 13.872 -11.172 2.672 1.00 0.00 O ATOM 656 CB LEU A 42 10.898 -10.791 3.883 1.00 0.00 C ATOM 657 CG LEU A 42 10.000 -10.376 5.050 1.00 0.00 C ATOM 658 CD1 LEU A 42 8.963 -9.344 4.603 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.349 -11.597 5.702 1.00 0.00 C ATOM 0 H LEU A 42 12.538 -10.084 5.587 1.00 0.00 H new ATOM 0 HA LEU A 42 11.723 -12.583 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.244 -9.889 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.294 -11.347 3.166 1.00 0.00 H new ATOM 0 HG LEU A 42 10.622 -9.900 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.337 -9.066 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.472 -8.459 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.340 -9.771 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.716 -11.274 6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.743 -12.123 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.124 -12.265 6.078 1.00 0.00 H new ATOM 748 N ASP A 48 12.040 -6.618 -6.895 1.00 0.00 N ATOM 749 CA ASP A 48 11.055 -6.512 -5.832 1.00 0.00 C ATOM 750 C ASP A 48 11.590 -5.587 -4.737 1.00 0.00 C ATOM 751 O ASP A 48 12.734 -5.726 -4.306 1.00 0.00 O ATOM 752 CB ASP A 48 10.777 -7.879 -5.202 1.00 0.00 C ATOM 753 CG ASP A 48 10.026 -8.864 -6.100 1.00 0.00 C ATOM 754 OD1 ASP A 48 10.444 -8.997 -7.271 1.00 0.00 O ATOM 755 OD2 ASP A 48 9.050 -9.461 -5.596 1.00 0.00 O ATOM 0 HA ASP A 48 10.134 -6.119 -6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.727 -8.328 -4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.201 -7.731 -4.289 1.00 0.00 H new ATOM 760 N PHE A 49 10.738 -4.663 -4.319 1.00 0.00 N ATOM 761 CA PHE A 49 11.110 -3.716 -3.283 1.00 0.00 C ATOM 762 C PHE A 49 10.102 -3.737 -2.132 1.00 0.00 C ATOM 763 O PHE A 49 8.974 -4.199 -2.298 1.00 0.00 O ATOM 764 CB PHE A 49 11.105 -2.326 -3.924 1.00 0.00 C ATOM 765 CG PHE A 49 9.952 -2.098 -4.904 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.700 -1.851 -4.436 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.181 -2.142 -6.244 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.630 -1.639 -5.346 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.111 -1.931 -7.154 1.00 0.00 C ATOM 770 CZ PHE A 49 7.859 -1.683 -6.686 1.00 0.00 C ATOM 0 H PHE A 49 9.791 -4.550 -4.680 1.00 0.00 H new ATOM 0 HA PHE A 49 12.089 -3.974 -2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.053 -1.574 -3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.049 -2.175 -4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.519 -1.816 -3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.176 -2.337 -6.616 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.635 -1.443 -4.974 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.292 -1.968 -8.218 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.046 -1.521 -7.378 1.00 0.00 H new ATOM 780 N PRO A 50 10.557 -3.219 -0.960 1.00 0.00 N ATOM 781 CA PRO A 50 9.707 -3.174 0.218 1.00 0.00 C ATOM 782 C PRO A 50 8.658 -2.067 0.096 1.00 0.00 C ATOM 783 O PRO A 50 8.992 -0.918 -0.187 1.00 0.00 O ATOM 784 CB PRO A 50 10.661 -2.962 1.383 1.00 0.00 C ATOM 785 CG PRO A 50 11.950 -2.433 0.775 1.00 0.00 C ATOM 786 CD PRO A 50 11.886 -2.663 -0.726 1.00 0.00 C ATOM 0 HA PRO A 50 9.129 -4.088 0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.249 -2.254 2.102 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.836 -3.895 1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.068 -1.372 0.994 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.812 -2.944 1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.028 -1.732 -1.275 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.666 -3.350 -1.055 1.00 0.00 H new ATOM 794 N VAL A 51 7.409 -2.453 0.315 1.00 0.00 N ATOM 795 CA VAL A 51 6.309 -1.508 0.233 1.00 0.00 C ATOM 796 C VAL A 51 5.468 -1.599 1.508 1.00 0.00 C ATOM 797 O VAL A 51 5.326 -2.675 2.087 1.00 0.00 O ATOM 798 CB VAL A 51 5.496 -1.761 -1.038 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.391 -1.722 -2.278 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.738 -3.087 -0.950 1.00 0.00 C ATOM 0 H VAL A 51 7.135 -3.407 0.549 1.00 0.00 H new ATOM 0 HA VAL A 51 6.686 -0.488 0.164 1.00 0.00 H new ATOM 0 HB VAL A 51 4.761 -0.961 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.788 -1.905 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.864 -0.743 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.160 -2.491 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.168 -3.242 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.448 -3.904 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.057 -3.061 -0.099 1.00 0.00 H new ATOM 810 N PHE A 52 4.933 -0.455 1.909 1.00 0.00 N ATOM 811 CA PHE A 52 4.110 -0.392 3.105 1.00 0.00 C ATOM 812 C PHE A 52 2.638 -0.178 2.747 1.00 0.00 C ATOM 813 O PHE A 52 2.294 0.790 2.071 1.00 0.00 O ATOM 814 CB PHE A 52 4.602 0.804 3.923 1.00 0.00 C ATOM 815 CG PHE A 52 3.836 1.021 5.230 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.965 0.129 6.249 1.00 0.00 C ATOM 817 CD2 PHE A 52 3.027 2.105 5.372 1.00 0.00 C ATOM 818 CE1 PHE A 52 3.254 0.331 7.462 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.316 2.306 6.585 1.00 0.00 C ATOM 820 CZ PHE A 52 2.445 1.415 7.604 1.00 0.00 C ATOM 0 H PHE A 52 5.053 0.436 1.427 1.00 0.00 H new ATOM 0 HA PHE A 52 4.189 -1.326 3.661 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.659 0.665 4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.524 1.705 3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.607 -0.732 6.136 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.925 2.813 4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.356 -0.376 8.272 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.673 3.166 6.698 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.905 1.568 8.527 1.00 0.00 H new ATOM 830 N PHE A 53 1.809 -1.099 3.215 1.00 0.00 N ATOM 831 CA PHE A 53 0.382 -1.025 2.953 1.00 0.00 C ATOM 832 C PHE A 53 -0.331 -0.205 4.031 1.00 0.00 C ATOM 833 O PHE A 53 -0.182 -0.476 5.221 1.00 0.00 O ATOM 834 CB PHE A 53 -0.154 -2.457 2.980 1.00 0.00 C ATOM 835 CG PHE A 53 0.218 -3.284 1.748 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.523 -3.425 1.392 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.756 -3.879 1.009 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.869 -4.193 0.249 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.411 -4.646 -0.135 1.00 0.00 C ATOM 840 CZ PHE A 53 0.894 -4.787 -0.491 1.00 0.00 C ATOM 0 H PHE A 53 2.099 -1.901 3.775 1.00 0.00 H new ATOM 0 HA PHE A 53 0.205 -0.544 1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.225 -2.959 3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.240 -2.426 3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.297 -2.953 1.979 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.792 -3.768 1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.905 -4.306 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.185 -5.117 -0.722 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.156 -5.370 -1.361 1.00 0.00 H new ATOM 850 N PHE A 54 -1.091 0.779 3.574 1.00 0.00 N ATOM 851 CA PHE A 54 -1.828 1.640 4.485 1.00 0.00 C ATOM 852 C PHE A 54 -2.992 0.885 5.131 1.00 0.00 C ATOM 853 O PHE A 54 -3.491 -0.090 4.572 1.00 0.00 O ATOM 854 CB PHE A 54 -2.385 2.797 3.654 1.00 0.00 C ATOM 855 CG PHE A 54 -1.310 3.671 3.005 1.00 0.00 C ATOM 856 CD1 PHE A 54 -0.460 4.394 3.783 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.204 3.726 1.650 1.00 0.00 C ATOM 858 CE1 PHE A 54 0.538 5.205 3.181 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.206 4.538 1.048 1.00 0.00 C ATOM 860 CZ PHE A 54 0.643 5.260 1.827 1.00 0.00 C ATOM 0 H PHE A 54 -1.213 1.000 2.586 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.170 1.990 5.281 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.030 2.393 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.010 3.422 4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.544 4.351 4.859 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.879 3.152 1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.214 5.778 3.799 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.122 4.582 -0.028 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.402 5.878 1.369 1.00 0.00 H new ATOM 870 N GLY A 55 -3.390 1.366 6.300 1.00 0.00 N ATOM 871 CA GLY A 55 -4.486 0.749 7.028 1.00 0.00 C ATOM 872 C GLY A 55 -3.987 -0.417 7.884 1.00 0.00 C ATOM 873 O GLY A 55 -4.154 -0.413 9.103 1.00 0.00 O ATOM 0 H GLY A 55 -2.973 2.175 6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.969 1.491 7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.239 0.393 6.325 1.00 0.00 H new ATOM 877 N SER A 56 -3.385 -1.388 7.212 1.00 0.00 N ATOM 878 CA SER A 56 -2.862 -2.558 7.896 1.00 0.00 C ATOM 879 C SER A 56 -1.490 -2.243 8.497 1.00 0.00 C ATOM 880 O SER A 56 -1.258 -2.480 9.681 1.00 0.00 O ATOM 881 CB SER A 56 -2.763 -3.753 6.946 1.00 0.00 C ATOM 882 OG SER A 56 -2.698 -4.991 7.650 1.00 0.00 O ATOM 0 H SER A 56 -3.248 -1.388 6.201 1.00 0.00 H new ATOM 0 HA SER A 56 -3.551 -2.822 8.698 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.626 -3.759 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.878 -3.645 6.319 1.00 0.00 H new ATOM 0 HG SER A 56 -2.010 -5.561 7.247 1.00 0.00 H new ATOM 888 N HIS A 57 -0.618 -1.713 7.652 1.00 0.00 N ATOM 889 CA HIS A 57 0.725 -1.363 8.085 1.00 0.00 C ATOM 890 C HIS A 57 1.598 -2.618 8.115 1.00 0.00 C ATOM 891 O HIS A 57 2.010 -3.067 9.183 1.00 0.00 O ATOM 892 CB HIS A 57 0.689 -0.633 9.429 1.00 0.00 C ATOM 893 CG HIS A 57 -0.428 0.375 9.552 1.00 0.00 C ATOM 894 ND1 HIS A 57 -0.784 0.958 10.756 1.00 0.00 N ATOM 895 CD2 HIS A 57 -1.264 0.898 8.609 1.00 0.00 C ATOM 896 CE1 HIS A 57 -1.790 1.791 10.536 1.00 0.00 C ATOM 897 NE2 HIS A 57 -2.087 1.752 9.205 1.00 0.00 N ATOM 0 H HIS A 57 -0.815 -1.517 6.670 1.00 0.00 H new ATOM 0 HA HIS A 57 1.172 -0.669 7.373 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.590 -1.368 10.227 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.641 -0.125 9.580 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.257 0.658 7.556 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.288 2.395 11.280 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.821 2.290 8.744 1.00 0.00 H new ATOM 905 N ASP A 58 1.855 -3.150 6.929 1.00 0.00 N ATOM 906 CA ASP A 58 2.672 -4.345 6.805 1.00 0.00 C ATOM 907 C ASP A 58 3.566 -4.221 5.570 1.00 0.00 C ATOM 908 O ASP A 58 3.125 -3.742 4.526 1.00 0.00 O ATOM 909 CB ASP A 58 1.801 -5.592 6.636 1.00 0.00 C ATOM 910 CG ASP A 58 0.439 -5.346 5.986 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.439 -4.927 4.808 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.573 -5.583 6.681 1.00 0.00 O ATOM 0 H ASP A 58 1.511 -2.775 6.045 1.00 0.00 H new ATOM 0 HA ASP A 58 3.268 -4.442 7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.347 -6.320 6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.643 -6.042 7.616 1.00 0.00 H new ATOM 917 N TYR A 59 4.805 -4.662 5.729 1.00 0.00 N ATOM 918 CA TYR A 59 5.765 -4.606 4.640 1.00 0.00 C ATOM 919 C TYR A 59 5.835 -5.945 3.902 1.00 0.00 C ATOM 920 O TYR A 59 5.854 -7.003 4.529 1.00 0.00 O ATOM 921 CB TYR A 59 7.122 -4.322 5.287 1.00 0.00 C ATOM 922 CG TYR A 59 7.147 -3.060 6.151 1.00 0.00 C ATOM 923 CD1 TYR A 59 7.227 -1.817 5.555 1.00 0.00 C ATOM 924 CD2 TYR A 59 7.090 -3.163 7.526 1.00 0.00 C ATOM 925 CE1 TYR A 59 7.250 -0.629 6.368 1.00 0.00 C ATOM 926 CE2 TYR A 59 7.114 -1.975 8.339 1.00 0.00 C ATOM 927 CZ TYR A 59 7.193 -0.767 7.720 1.00 0.00 C ATOM 928 OH TYR A 59 7.215 0.356 8.488 1.00 0.00 O ATOM 0 H TYR A 59 5.166 -5.060 6.596 1.00 0.00 H new ATOM 0 HA TYR A 59 5.480 -3.843 3.916 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.406 -5.176 5.901 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.874 -4.229 4.504 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.272 -1.736 4.479 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.027 -4.135 7.992 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.311 0.349 5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.070 -2.042 9.416 1.00 0.00 H new ATOM 0 HH TYR A 59 7.167 0.106 9.434 1.00 0.00 H new ATOM 938 N TYR A 60 5.873 -5.855 2.581 1.00 0.00 N ATOM 939 CA TYR A 60 5.941 -7.046 1.751 1.00 0.00 C ATOM 940 C TYR A 60 6.870 -6.828 0.555 1.00 0.00 C ATOM 941 O TYR A 60 7.050 -5.699 0.101 1.00 0.00 O ATOM 942 CB TYR A 60 4.519 -7.285 1.239 1.00 0.00 C ATOM 943 CG TYR A 60 3.486 -7.493 2.348 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.767 -8.336 3.404 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.272 -6.838 2.293 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.794 -8.533 4.448 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.300 -7.035 3.336 1.00 0.00 C ATOM 948 CZ TYR A 60 1.609 -7.872 4.363 1.00 0.00 C ATOM 949 OH TYR A 60 0.690 -8.057 5.348 1.00 0.00 O ATOM 0 H TYR A 60 5.858 -4.976 2.064 1.00 0.00 H new ATOM 0 HA TYR A 60 6.327 -7.890 2.322 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.216 -6.434 0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.520 -8.160 0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.717 -8.848 3.448 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.052 -6.178 1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.001 -9.191 5.279 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.346 -6.529 3.304 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.185 -7.740 5.042 1.00 0.00 H new ATOM 959 N TRP A 61 7.437 -7.928 0.079 1.00 0.00 N ATOM 960 CA TRP A 61 8.343 -7.872 -1.055 1.00 0.00 C ATOM 961 C TRP A 61 7.564 -8.287 -2.304 1.00 0.00 C ATOM 962 O TRP A 61 7.422 -9.476 -2.585 1.00 0.00 O ATOM 963 CB TRP A 61 9.583 -8.734 -0.809 1.00 0.00 C ATOM 964 CG TRP A 61 10.488 -8.218 0.310 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.441 -8.520 1.615 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.585 -7.290 0.170 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.423 -7.857 2.323 1.00 0.00 N ATOM 968 CE2 TRP A 61 12.141 -7.086 1.417 1.00 0.00 C ATOM 969 CE3 TRP A 61 12.091 -6.645 -0.972 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.232 -6.237 1.640 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.181 -5.800 -0.732 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.752 -5.584 0.516 1.00 0.00 C ATOM 0 H TRP A 61 7.286 -8.863 0.459 1.00 0.00 H new ATOM 0 HA TRP A 61 8.717 -6.859 -1.200 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.265 -9.748 -0.567 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.161 -8.793 -1.731 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.725 -9.197 2.057 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.591 -7.921 3.327 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.672 -6.790 -1.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.650 -6.094 2.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.608 -5.279 -1.576 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.594 -4.915 0.619 1.00 0.00 H new ATOM 983 N VAL A 62 7.078 -7.284 -3.021 1.00 0.00 N ATOM 984 CA VAL A 62 6.316 -7.530 -4.233 1.00 0.00 C ATOM 985 C VAL A 62 7.048 -6.910 -5.425 1.00 0.00 C ATOM 986 O VAL A 62 7.542 -5.787 -5.338 1.00 0.00 O ATOM 987 CB VAL A 62 4.888 -7.006 -4.070 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.101 -7.861 -3.075 1.00 0.00 C ATOM 989 CG2 VAL A 62 4.889 -5.535 -3.649 1.00 0.00 C ATOM 0 H VAL A 62 7.197 -6.299 -2.785 1.00 0.00 H new ATOM 0 HA VAL A 62 6.235 -8.600 -4.422 1.00 0.00 H new ATOM 0 HB VAL A 62 4.392 -7.077 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.089 -7.467 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.057 -8.889 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.595 -7.837 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.862 -5.187 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.411 -5.429 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.395 -4.939 -4.409 1.00 0.00 H new ATOM 999 N HIS A 63 7.095 -7.669 -6.510 1.00 0.00 N ATOM 1000 CA HIS A 63 7.759 -7.207 -7.718 1.00 0.00 C ATOM 1001 C HIS A 63 7.131 -5.889 -8.176 1.00 0.00 C ATOM 1002 O HIS A 63 6.322 -5.300 -7.461 1.00 0.00 O ATOM 1003 CB HIS A 63 7.728 -8.287 -8.801 1.00 0.00 C ATOM 1004 CG HIS A 63 6.338 -8.742 -9.176 1.00 0.00 C ATOM 1005 ND1 HIS A 63 6.076 -9.501 -10.303 1.00 0.00 N ATOM 1006 CD2 HIS A 63 5.137 -8.537 -8.561 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.773 -9.736 -10.355 1.00 0.00 C ATOM 1008 NE2 HIS A 63 4.193 -9.138 -9.275 1.00 0.00 N ATOM 0 H HIS A 63 6.684 -8.600 -6.578 1.00 0.00 H new ATOM 0 HA HIS A 63 8.811 -7.014 -7.509 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.228 -7.907 -9.692 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.301 -9.148 -8.457 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.768 -9.825 -10.979 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.981 -7.980 -7.649 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.260 -10.302 -11.119 1.00 0.00 H new ATOM 1016 N GLN A 64 7.527 -5.465 -9.368 1.00 0.00 N ATOM 1017 CA GLN A 64 7.014 -4.228 -9.930 1.00 0.00 C ATOM 1018 C GLN A 64 6.099 -4.525 -11.120 1.00 0.00 C ATOM 1019 O GLN A 64 6.123 -5.628 -11.665 1.00 0.00 O ATOM 1020 CB GLN A 64 8.156 -3.295 -10.337 1.00 0.00 C ATOM 1021 CG GLN A 64 8.679 -3.644 -11.732 1.00 0.00 C ATOM 1022 CD GLN A 64 10.123 -3.169 -11.911 1.00 0.00 C ATOM 1023 OE1 GLN A 64 10.448 -2.007 -11.731 1.00 0.00 O ATOM 1024 NE2 GLN A 64 10.967 -4.131 -12.274 1.00 0.00 N ATOM 0 H GLN A 64 8.197 -5.957 -9.959 1.00 0.00 H new ATOM 0 HA GLN A 64 6.429 -3.719 -9.164 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.809 -2.262 -10.323 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.967 -3.369 -9.612 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.625 -4.722 -11.885 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.044 -3.182 -12.488 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.628 -5.084 -12.408 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.954 -3.916 -12.419 1.00 0.00 H new ATOM 1033 N GLY A 65 5.314 -3.523 -11.487 1.00 0.00 N ATOM 1034 CA GLY A 65 4.393 -3.663 -12.602 1.00 0.00 C ATOM 1035 C GLY A 65 2.977 -3.966 -12.109 1.00 0.00 C ATOM 1036 O GLY A 65 2.015 -3.855 -12.867 1.00 0.00 O ATOM 0 H GLY A 65 5.297 -2.610 -11.032 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.388 -2.746 -13.192 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.732 -4.463 -13.260 1.00 0.00 H new ATOM 1040 N ARG A 66 2.895 -4.343 -10.842 1.00 0.00 N ATOM 1041 CA ARG A 66 1.612 -4.663 -10.238 1.00 0.00 C ATOM 1042 C ARG A 66 1.060 -3.448 -9.489 1.00 0.00 C ATOM 1043 O ARG A 66 -0.100 -3.441 -9.080 1.00 0.00 O ATOM 1044 CB ARG A 66 1.738 -5.838 -9.266 1.00 0.00 C ATOM 1045 CG ARG A 66 1.839 -7.165 -10.021 1.00 0.00 C ATOM 1046 CD ARG A 66 0.571 -7.431 -10.835 1.00 0.00 C ATOM 1047 NE ARG A 66 0.491 -8.865 -11.192 1.00 0.00 N ATOM 1048 CZ ARG A 66 1.227 -9.443 -12.151 1.00 0.00 C ATOM 1049 NH1 ARG A 66 2.102 -8.713 -12.855 1.00 0.00 N ATOM 1050 NH2 ARG A 66 1.087 -10.751 -12.406 1.00 0.00 N ATOM 0 H ARG A 66 3.696 -4.434 -10.217 1.00 0.00 H new ATOM 0 HA ARG A 66 0.929 -4.941 -11.040 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.620 -5.704 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.875 -5.859 -8.601 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.704 -7.145 -10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.999 -7.979 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.308 -7.141 -10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.575 -6.822 -11.739 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.166 -9.450 -10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.208 -7.717 -12.661 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.662 -9.153 -13.585 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.420 -11.307 -11.870 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.647 -11.191 -13.136 1.00 0.00 H new ATOM 1064 N VAL A 67 1.917 -2.450 -9.333 1.00 0.00 N ATOM 1065 CA VAL A 67 1.530 -1.233 -8.641 1.00 0.00 C ATOM 1066 C VAL A 67 1.301 -0.119 -9.665 1.00 0.00 C ATOM 1067 O VAL A 67 1.919 -0.113 -10.729 1.00 0.00 O ATOM 1068 CB VAL A 67 2.581 -0.871 -7.590 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.137 -2.127 -6.916 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.706 -0.035 -8.204 1.00 0.00 C ATOM 0 H VAL A 67 2.878 -2.459 -9.674 1.00 0.00 H new ATOM 0 HA VAL A 67 0.592 -1.381 -8.106 1.00 0.00 H new ATOM 0 HB VAL A 67 2.095 -0.267 -6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.882 -1.842 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.326 -2.667 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.600 -2.768 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.439 0.209 -7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.189 -0.603 -8.999 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.292 0.886 -8.615 1.00 0.00 H new ATOM 1080 N PHE A 68 0.411 0.795 -9.309 1.00 0.00 N ATOM 1081 CA PHE A 68 0.093 1.911 -10.184 1.00 0.00 C ATOM 1082 C PHE A 68 0.439 3.245 -9.520 1.00 0.00 C ATOM 1083 O PHE A 68 0.448 3.348 -8.294 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.414 1.860 -10.444 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.789 1.326 -11.828 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.808 -0.014 -12.058 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.103 2.192 -12.828 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -2.156 -0.509 -13.342 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.452 1.697 -14.113 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.470 0.357 -14.343 1.00 0.00 C ATOM 0 H PHE A 68 -0.100 0.786 -8.426 1.00 0.00 H new ATOM 0 HA PHE A 68 0.668 1.836 -11.107 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.882 1.233 -9.685 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.826 2.862 -10.329 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.558 -0.702 -11.264 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.087 3.256 -12.645 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.171 -1.573 -13.524 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.703 2.385 -14.907 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.734 -0.020 -15.320 1.00 0.00 H new ATOM 1100 N PRO A 69 0.723 4.259 -10.380 1.00 0.00 N ATOM 1101 CA PRO A 69 1.069 5.582 -9.890 1.00 0.00 C ATOM 1102 C PRO A 69 -0.171 6.318 -9.377 1.00 0.00 C ATOM 1103 O PRO A 69 -1.150 6.473 -10.104 1.00 0.00 O ATOM 1104 CB PRO A 69 1.728 6.279 -11.069 1.00 0.00 C ATOM 1105 CG PRO A 69 1.311 5.495 -12.302 1.00 0.00 C ATOM 1106 CD PRO A 69 0.722 4.173 -11.838 1.00 0.00 C ATOM 0 HA PRO A 69 1.745 5.550 -9.035 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.405 7.318 -11.139 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.813 6.289 -10.961 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.578 6.057 -12.881 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.168 5.323 -12.953 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.287 4.031 -12.226 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.319 3.330 -12.186 1.00 0.00 H new ATOM 1114 N TYR A 70 -0.088 6.752 -8.128 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.190 7.468 -7.509 1.00 0.00 C ATOM 1116 C TYR A 70 -1.131 8.960 -7.842 1.00 0.00 C ATOM 1117 O TYR A 70 -0.123 9.617 -7.584 1.00 0.00 O ATOM 1118 CB TYR A 70 -1.017 7.286 -6.000 1.00 0.00 C ATOM 1119 CG TYR A 70 -2.081 7.998 -5.161 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -2.018 9.365 -4.982 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.104 7.272 -4.585 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -3.019 10.034 -4.193 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -4.105 7.942 -3.796 1.00 0.00 C ATOM 1124 CZ TYR A 70 -4.013 9.290 -3.639 1.00 0.00 C ATOM 1125 OH TYR A 70 -4.959 9.922 -2.893 1.00 0.00 O ATOM 0 H TYR A 70 0.726 6.621 -7.528 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.146 7.087 -7.869 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.039 6.221 -5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.033 7.655 -5.710 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.218 9.933 -5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.154 6.202 -4.726 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.981 11.103 -4.044 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.911 7.387 -3.339 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.607 9.265 -2.561 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.223 9.451 -8.409 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.307 10.854 -8.779 1.00 0.00 C ATOM 1137 C VAL A 71 -2.931 11.644 -7.627 1.00 0.00 C ATOM 1138 O VAL A 71 -3.523 11.063 -6.720 1.00 0.00 O ATOM 1139 CB VAL A 71 -3.077 11.003 -10.093 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -3.175 12.472 -10.508 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -2.440 10.161 -11.200 1.00 0.00 C ATOM 0 H VAL A 71 -3.057 8.903 -8.621 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.312 11.264 -8.953 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.090 10.633 -9.932 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.727 12.549 -11.445 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.695 13.035 -9.733 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.173 12.880 -10.642 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.006 10.285 -12.123 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.412 10.486 -11.359 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.447 9.111 -10.908 1.00 0.00 H new ATOM 1151 N GLU A 72 -2.777 12.958 -7.702 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.318 13.834 -6.677 1.00 0.00 C ATOM 1153 C GLU A 72 -4.375 14.764 -7.277 1.00 0.00 C ATOM 1154 O GLU A 72 -4.084 15.917 -7.594 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.206 14.635 -5.997 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.434 14.717 -4.486 1.00 0.00 C ATOM 1157 CD GLU A 72 -3.826 15.267 -4.171 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -4.027 16.477 -4.416 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -4.658 14.467 -3.692 1.00 0.00 O ATOM 0 H GLU A 72 -2.285 13.437 -8.457 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.795 13.218 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.242 14.168 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.168 15.640 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.321 13.727 -4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.676 15.356 -4.034 1.00 0.00 H new ATOM 1367 N THR A 87 -11.185 0.163 7.115 1.00 0.00 N ATOM 1368 CA THR A 87 -9.745 0.229 6.929 1.00 0.00 C ATOM 1369 C THR A 87 -9.410 0.911 5.602 1.00 0.00 C ATOM 1370 O THR A 87 -8.549 1.788 5.551 1.00 0.00 O ATOM 1371 CB THR A 87 -9.189 -1.192 7.039 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.329 -1.514 8.421 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.680 -1.251 6.794 1.00 0.00 C ATOM 0 HA THR A 87 -9.274 0.839 7.700 1.00 0.00 H new ATOM 0 HB THR A 87 -9.698 -1.837 6.323 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.232 -1.279 8.722 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.337 -2.282 6.884 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.459 -0.881 5.793 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.167 -0.632 7.531 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.107 0.483 4.560 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.894 1.042 3.236 1.00 0.00 C ATOM 1383 C PHE A 88 -9.871 2.571 3.283 1.00 0.00 C ATOM 1384 O PHE A 88 -8.914 3.196 2.828 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.067 0.588 2.364 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.929 0.968 0.889 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.877 0.504 0.162 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.859 1.770 0.303 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.749 0.857 -1.207 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.731 2.122 -1.066 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.679 1.659 -1.793 1.00 0.00 C ATOM 0 H PHE A 88 -10.820 -0.245 4.606 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.937 0.703 2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.167 -0.495 2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.987 1.022 2.756 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.139 -0.133 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.694 2.139 0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.913 0.489 -1.784 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.470 2.758 -1.531 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.582 1.928 -2.835 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.937 3.130 3.838 1.00 0.00 N ATOM 1402 CA LYS A 89 -11.051 4.574 3.951 1.00 0.00 C ATOM 1403 C LYS A 89 -9.892 5.109 4.795 1.00 0.00 C ATOM 1404 O LYS A 89 -9.353 6.177 4.510 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.431 4.962 4.486 1.00 0.00 C ATOM 1406 CG LYS A 89 -12.352 6.229 5.340 1.00 0.00 C ATOM 1407 CD LYS A 89 -13.748 6.782 5.632 1.00 0.00 C ATOM 1408 CE LYS A 89 -13.687 7.908 6.666 1.00 0.00 C ATOM 1409 NZ LYS A 89 -13.702 7.353 8.038 1.00 0.00 N ATOM 0 H LYS A 89 -11.729 2.609 4.214 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.972 5.040 2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.116 5.123 3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.838 4.144 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.841 6.009 6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.759 6.984 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.196 7.154 4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.391 5.982 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.783 8.499 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.534 8.581 6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.660 8.130 8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.576 6.809 8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.880 6.729 8.169 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.542 4.341 5.816 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.457 4.724 6.703 1.00 0.00 C ATOM 1425 C LYS A 90 -7.138 4.700 5.928 1.00 0.00 C ATOM 1426 O LYS A 90 -6.266 5.538 6.152 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.451 3.844 7.955 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.264 4.184 8.859 1.00 0.00 C ATOM 1429 CD LYS A 90 -7.615 3.961 10.331 1.00 0.00 C ATOM 1430 CE LYS A 90 -6.367 4.049 11.212 1.00 0.00 C ATOM 1431 NZ LYS A 90 -6.678 3.624 12.595 1.00 0.00 N ATOM 0 H LYS A 90 -9.991 3.455 6.049 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.599 5.744 7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.382 3.981 8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.403 2.794 7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.407 3.567 8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.970 5.222 8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.344 4.705 10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.082 2.984 10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.579 3.419 10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.989 5.071 11.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.820 3.690 13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.415 4.242 12.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.018 2.641 12.588 1.00 0.00 H new ATOM 1445 N ALA A 91 -7.033 3.729 5.032 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.835 3.584 4.222 1.00 0.00 C ATOM 1447 C ALA A 91 -5.798 4.695 3.171 1.00 0.00 C ATOM 1448 O ALA A 91 -4.730 5.212 2.846 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.807 2.188 3.598 1.00 0.00 C ATOM 0 H ALA A 91 -7.758 3.035 4.849 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.941 3.683 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.909 2.079 2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.805 1.437 4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.688 2.052 2.971 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.977 5.028 2.667 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.093 6.068 1.658 1.00 0.00 C ATOM 1457 C LEU A 92 -6.575 7.388 2.231 1.00 0.00 C ATOM 1458 O LEU A 92 -5.724 8.040 1.627 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.528 6.147 1.133 1.00 0.00 C ATOM 1460 CG LEU A 92 -9.005 4.953 0.304 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.533 4.899 0.249 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.382 4.971 -1.093 1.00 0.00 C ATOM 0 H LEU A 92 -7.860 4.596 2.938 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.474 5.830 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.199 6.265 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.623 7.047 0.525 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.668 4.040 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.846 4.041 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.930 4.804 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.913 5.814 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.738 4.112 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.667 5.889 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.296 4.925 -1.008 1.00 0.00 H new ATOM 1474 N GLU A 93 -7.109 7.744 3.391 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.711 8.975 4.052 1.00 0.00 C ATOM 1476 C GLU A 93 -5.201 8.981 4.299 1.00 0.00 C ATOM 1477 O GLU A 93 -4.509 9.921 3.912 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.481 9.169 5.359 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.988 9.246 5.102 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.659 10.226 6.066 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.885 9.816 7.225 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -9.931 11.363 5.623 1.00 0.00 O ATOM 0 H GLU A 93 -7.814 7.201 3.890 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.955 9.811 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.266 8.344 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.145 10.082 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.170 9.560 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.431 8.257 5.217 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.735 7.920 4.941 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.320 7.790 5.245 1.00 0.00 C ATOM 1491 C GLU A 94 -2.485 7.987 3.978 1.00 0.00 C ATOM 1492 O GLU A 94 -1.596 8.835 3.941 1.00 0.00 O ATOM 1493 CB GLU A 94 -3.020 6.438 5.895 1.00 0.00 C ATOM 1494 CG GLU A 94 -3.137 6.524 7.418 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.945 5.849 8.099 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -1.940 4.599 8.126 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -1.065 6.597 8.576 1.00 0.00 O ATOM 0 H GLU A 94 -5.313 7.142 5.259 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.049 8.567 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.712 5.686 5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.016 6.114 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.191 7.569 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.063 6.049 7.743 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.802 7.188 2.969 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.093 7.263 1.703 1.00 0.00 C ATOM 1506 C ALA A 95 -1.928 8.731 1.302 1.00 0.00 C ATOM 1507 O ALA A 95 -0.853 9.143 0.871 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.845 6.451 0.647 1.00 0.00 C ATOM 0 H ALA A 95 -3.541 6.485 3.003 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.096 6.832 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.313 6.508 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.909 5.411 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.850 6.855 0.524 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.011 9.478 1.459 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.000 10.891 1.118 1.00 0.00 C ATOM 1516 C ALA A 96 -1.884 11.590 1.896 1.00 0.00 C ATOM 1517 O ALA A 96 -0.967 12.154 1.301 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.376 11.495 1.404 1.00 0.00 C ATOM 0 H ALA A 96 -3.901 9.132 1.817 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.797 11.028 0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.368 12.555 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.130 10.983 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.612 11.379 2.462 1.00 0.00 H new ATOM 1524 N LYS A 97 -1.998 11.531 3.215 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.009 12.151 4.080 1.00 0.00 C ATOM 1526 C LYS A 97 0.385 11.948 3.483 1.00 0.00 C ATOM 1527 O LYS A 97 1.008 12.900 3.016 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.147 11.629 5.512 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.363 12.779 6.497 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.808 12.807 6.999 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.959 13.764 8.182 1.00 0.00 C ATOM 1532 NZ LYS A 97 -4.259 13.553 8.857 1.00 0.00 N ATOM 0 H LYS A 97 -2.760 11.063 3.705 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.176 13.226 4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.984 10.934 5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.251 11.073 5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.683 12.671 7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.124 13.726 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.472 13.115 6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.113 11.804 7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.145 13.607 8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.886 14.795 7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.345 14.211 9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.032 13.725 8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.315 12.575 9.205 1.00 0.00 H new ATOM 1546 N ARG A 98 0.833 10.702 3.517 1.00 0.00 N ATOM 1547 CA ARG A 98 2.141 10.362 2.985 1.00 0.00 C ATOM 1548 C ARG A 98 2.422 11.166 1.714 1.00 0.00 C ATOM 1549 O ARG A 98 3.366 11.954 1.669 1.00 0.00 O ATOM 1550 CB ARG A 98 2.236 8.869 2.667 1.00 0.00 C ATOM 1551 CG ARG A 98 2.531 8.057 3.930 1.00 0.00 C ATOM 1552 CD ARG A 98 1.334 8.069 4.882 1.00 0.00 C ATOM 1553 NE ARG A 98 1.405 6.910 5.800 1.00 0.00 N ATOM 1554 CZ ARG A 98 2.309 6.783 6.781 1.00 0.00 C ATOM 1555 NH1 ARG A 98 3.223 7.743 6.978 1.00 0.00 N ATOM 1556 NH2 ARG A 98 2.299 5.697 7.565 1.00 0.00 N ATOM 0 H ARG A 98 0.313 9.915 3.905 1.00 0.00 H new ATOM 0 HA ARG A 98 2.882 10.607 3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.301 8.528 2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.021 8.700 1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.773 7.030 3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.406 8.468 4.435 1.00 0.00 H new ATOM 0 HD2 ARG A 98 1.324 8.997 5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.405 8.036 4.312 1.00 0.00 H new ATOM 0 HE ARG A 98 0.723 6.161 5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.230 8.570 6.381 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.911 7.646 7.725 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.603 4.966 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.987 5.601 8.312 1.00 0.00 H new ATOM 1570 N PHE A 99 1.586 10.938 0.711 1.00 0.00 N ATOM 1571 CA PHE A 99 1.733 11.631 -0.557 1.00 0.00 C ATOM 1572 C PHE A 99 1.998 13.123 -0.340 1.00 0.00 C ATOM 1573 O PHE A 99 2.831 13.715 -1.025 1.00 0.00 O ATOM 1574 CB PHE A 99 0.413 11.465 -1.313 1.00 0.00 C ATOM 1575 CG PHE A 99 0.466 11.933 -2.769 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.243 13.240 -3.072 1.00 0.00 C ATOM 1577 CD2 PHE A 99 0.737 11.042 -3.760 1.00 0.00 C ATOM 1578 CE1 PHE A 99 0.292 13.674 -4.423 1.00 0.00 C ATOM 1579 CE2 PHE A 99 0.786 11.476 -5.111 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.563 12.782 -5.414 1.00 0.00 C ATOM 0 H PHE A 99 0.805 10.283 0.751 1.00 0.00 H new ATOM 0 HA PHE A 99 2.575 11.217 -1.111 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.123 10.415 -1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.365 12.022 -0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.029 13.948 -2.285 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.915 10.004 -3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.114 14.712 -4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.001 10.768 -5.898 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.601 13.112 -6.442 1.00 0.00 H new ATOM 1590 N GLN A 100 1.275 13.687 0.616 1.00 0.00 N ATOM 1591 CA GLN A 100 1.422 15.097 0.932 1.00 0.00 C ATOM 1592 C GLN A 100 2.734 15.340 1.680 1.00 0.00 C ATOM 1593 O GLN A 100 3.334 16.406 1.558 1.00 0.00 O ATOM 1594 CB GLN A 100 0.227 15.605 1.742 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.089 15.071 1.172 1.00 0.00 C ATOM 1596 CD GLN A 100 -1.995 16.218 0.720 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -2.922 16.618 1.406 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -1.678 16.722 -0.469 1.00 0.00 N ATOM 0 H GLN A 100 0.585 13.193 1.182 1.00 0.00 H new ATOM 0 HA GLN A 100 1.450 15.657 -0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.330 15.295 2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.215 16.695 1.734 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.883 14.411 0.329 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.601 14.474 1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.889 16.340 -0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.224 17.490 -0.859 1.00 0.00 H new ATOM 1607 N GLU A 101 3.141 14.332 2.438 1.00 0.00 N ATOM 1608 CA GLU A 101 4.372 14.422 3.206 1.00 0.00 C ATOM 1609 C GLU A 101 5.584 14.280 2.284 1.00 0.00 C ATOM 1610 O GLU A 101 6.470 15.133 2.281 1.00 0.00 O ATOM 1611 CB GLU A 101 4.402 13.373 4.318 1.00 0.00 C ATOM 1612 CG GLU A 101 3.035 13.249 4.993 1.00 0.00 C ATOM 1613 CD GLU A 101 3.185 13.017 6.498 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.949 13.788 7.118 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.533 12.073 6.994 1.00 0.00 O ATOM 0 H GLU A 101 2.640 13.449 2.537 1.00 0.00 H new ATOM 0 HA GLU A 101 4.413 15.404 3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.696 12.408 3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.154 13.645 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.455 14.155 4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.479 12.424 4.548 1.00 0.00 H new ATOM 1622 N LEU A 102 5.585 13.195 1.523 1.00 0.00 N ATOM 1623 CA LEU A 102 6.674 12.929 0.598 1.00 0.00 C ATOM 1624 C LEU A 102 7.060 14.227 -0.114 1.00 0.00 C ATOM 1625 O LEU A 102 8.161 14.742 0.079 1.00 0.00 O ATOM 1626 CB LEU A 102 6.302 11.792 -0.355 1.00 0.00 C ATOM 1627 CG LEU A 102 6.769 10.394 0.055 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.434 10.112 1.522 1.00 0.00 C ATOM 1629 CD2 LEU A 102 6.193 9.328 -0.879 1.00 0.00 C ATOM 0 H LEU A 102 4.848 12.489 1.528 1.00 0.00 H new ATOM 0 HA LEU A 102 7.557 12.585 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.217 11.774 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.716 12.018 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 102 7.854 10.354 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.777 9.112 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.931 10.846 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.356 10.177 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.540 8.344 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.104 9.359 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.524 9.521 -1.900 1.00 0.00 H new ATOM 1641 N LYS A 103 6.133 14.720 -0.923 1.00 0.00 N ATOM 1642 CA LYS A 103 6.363 15.948 -1.665 1.00 0.00 C ATOM 1643 C LYS A 103 6.875 17.027 -0.709 1.00 0.00 C ATOM 1644 O LYS A 103 7.650 17.896 -1.107 1.00 0.00 O ATOM 1645 CB LYS A 103 5.103 16.353 -2.433 1.00 0.00 C ATOM 1646 CG LYS A 103 3.906 16.489 -1.490 1.00 0.00 C ATOM 1647 CD LYS A 103 2.588 16.413 -2.263 1.00 0.00 C ATOM 1648 CE LYS A 103 1.740 17.664 -2.025 1.00 0.00 C ATOM 1649 NZ LYS A 103 2.381 18.849 -2.639 1.00 0.00 N ATOM 0 H LYS A 103 5.221 14.291 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 103 7.134 15.799 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.275 17.299 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.885 15.609 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.938 15.699 -0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.965 17.438 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.793 16.305 -3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.032 15.528 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.745 17.522 -2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.612 17.826 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.697 19.632 -2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.201 19.135 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.695 18.614 -3.602 1.00 0.00 H new