USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 648 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 135:sc= -0.0666 (180deg=-1.38) USER MOD Single : A 11 SER OG : rot 10:sc= 0.503! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -2.5 K(o=-2.5,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ -108:sc= -0.817 (180deg=-2.99!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.233 USER MOD Single : A 38 SER OG : rot 180:sc= -2.71! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.981 K(o=-0.98,f=-1.9) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 67 LYS NZ :NH3+ 146:sc= -0.729 (180deg=-2.17!) USER MOD Single : A 72 THR OG1 : rot -151:sc= 1.78 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.0582 K(o=-0.058,f=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 3.700 3.376 11.673 1.00 0.00 N ATOM 67 CA LYS A 8 2.818 3.703 10.559 1.00 0.00 C ATOM 68 C LYS A 8 3.547 3.560 9.228 1.00 0.00 C ATOM 69 O LYS A 8 3.140 4.138 8.220 1.00 0.00 O ATOM 70 CB LYS A 8 2.282 5.129 10.708 1.00 0.00 C ATOM 71 CG LYS A 8 0.921 5.337 10.066 1.00 0.00 C ATOM 72 CD LYS A 8 0.495 6.794 10.124 1.00 0.00 C ATOM 73 CE LYS A 8 -0.402 7.160 8.950 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.264 8.594 8.573 1.00 0.00 N ATOM 0 HA LYS A 8 1.982 3.003 10.572 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.216 5.374 11.768 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.994 5.824 10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.953 5.007 9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.180 4.720 10.574 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.032 6.983 11.059 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.378 7.433 10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.153 6.534 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.440 6.950 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.891 8.804 7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.526 9.192 9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.721 8.789 8.303 1.00 0.00 H new ATOM 88 N VAL A 9 4.627 2.784 9.230 1.00 0.00 N ATOM 89 CA VAL A 9 5.411 2.562 8.021 1.00 0.00 C ATOM 90 C VAL A 9 6.148 1.229 8.081 1.00 0.00 C ATOM 91 O VAL A 9 6.116 0.534 9.096 1.00 0.00 O ATOM 92 CB VAL A 9 6.435 3.692 7.801 1.00 0.00 C ATOM 93 CG1 VAL A 9 5.725 5.019 7.575 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.389 3.783 8.982 1.00 0.00 C ATOM 0 H VAL A 9 4.978 2.299 10.056 1.00 0.00 H new ATOM 0 HA VAL A 9 4.710 2.549 7.187 1.00 0.00 H new ATOM 0 HB VAL A 9 7.018 3.462 6.909 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.464 5.805 7.421 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.086 4.945 6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.116 5.259 8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.105 4.586 8.810 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.824 3.989 9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.922 2.839 9.093 1.00 0.00 H new ATOM 104 N LYS A 10 6.813 0.877 6.986 1.00 0.00 N ATOM 105 CA LYS A 10 7.561 -0.373 6.912 1.00 0.00 C ATOM 106 C LYS A 10 8.599 -0.321 5.796 1.00 0.00 C ATOM 107 O LYS A 10 8.432 0.401 4.813 1.00 0.00 O ATOM 108 CB LYS A 10 6.608 -1.548 6.682 1.00 0.00 C ATOM 109 CG LYS A 10 7.167 -2.883 7.142 1.00 0.00 C ATOM 110 CD LYS A 10 6.993 -3.075 8.639 1.00 0.00 C ATOM 111 CE LYS A 10 7.011 -4.548 9.018 1.00 0.00 C ATOM 112 NZ LYS A 10 7.058 -4.740 10.494 1.00 0.00 N ATOM 0 H LYS A 10 6.849 1.440 6.136 1.00 0.00 H new ATOM 0 HA LYS A 10 8.080 -0.514 7.860 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.673 -1.355 7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.370 -1.610 5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.665 -3.691 6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.225 -2.942 6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.789 -2.552 9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.051 -2.628 8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.124 -5.037 8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.875 -5.030 8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.376 -5.475 10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.015 -5.032 10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.815 -3.847 10.968 1.00 0.00 H new ATOM 126 N SER A 11 9.670 -1.091 5.955 1.00 0.00 N ATOM 127 CA SER A 11 10.737 -1.131 4.961 1.00 0.00 C ATOM 128 C SER A 11 11.545 -2.420 5.082 1.00 0.00 C ATOM 129 O SER A 11 12.052 -2.750 6.153 1.00 0.00 O ATOM 130 CB SER A 11 11.659 0.079 5.124 1.00 0.00 C ATOM 131 OG SER A 11 12.559 -0.107 6.202 1.00 0.00 O ATOM 0 H SER A 11 9.822 -1.696 6.762 1.00 0.00 H new ATOM 0 HA SER A 11 10.280 -1.101 3.972 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.219 0.240 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.062 0.975 5.295 1.00 0.00 H new ATOM 0 HG SER A 11 12.511 -1.036 6.512 1.00 0.00 H new ATOM 137 N GLY A 12 11.659 -3.145 3.974 1.00 0.00 N ATOM 138 CA GLY A 12 12.405 -4.390 3.976 1.00 0.00 C ATOM 139 C GLY A 12 12.346 -5.104 2.640 1.00 0.00 C ATOM 140 O GLY A 12 11.292 -5.165 2.007 1.00 0.00 O ATOM 0 H GLY A 12 11.248 -2.893 3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.445 -4.186 4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.010 -5.045 4.752 1.00 0.00 H new ATOM 144 N TRP A 13 13.481 -5.643 2.209 1.00 0.00 N ATOM 145 CA TRP A 13 13.554 -6.355 0.938 1.00 0.00 C ATOM 146 C TRP A 13 12.447 -7.398 0.834 1.00 0.00 C ATOM 147 O TRP A 13 12.444 -8.390 1.565 1.00 0.00 O ATOM 148 CB TRP A 13 14.920 -7.025 0.783 1.00 0.00 C ATOM 149 CG TRP A 13 16.025 -6.058 0.482 1.00 0.00 C ATOM 150 CD1 TRP A 13 16.826 -5.422 1.386 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.449 -5.617 -0.813 1.00 0.00 C ATOM 152 NE1 TRP A 13 17.723 -4.612 0.732 1.00 0.00 N ATOM 153 CE2 TRP A 13 17.512 -4.714 -0.618 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.035 -5.898 -2.117 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.164 -4.092 -1.679 1.00 0.00 C ATOM 156 CZ3 TRP A 13 16.682 -5.279 -3.170 1.00 0.00 C ATOM 157 CH2 TRP A 13 17.738 -4.385 -2.946 1.00 0.00 C ATOM 0 H TRP A 13 14.363 -5.601 2.720 1.00 0.00 H new ATOM 0 HA TRP A 13 13.420 -5.630 0.135 1.00 0.00 H new ATOM 0 HB2 TRP A 13 15.158 -7.564 1.700 1.00 0.00 H new ATOM 0 HB3 TRP A 13 14.866 -7.764 -0.016 1.00 0.00 H new ATOM 0 HD1 TRP A 13 16.764 -5.538 2.458 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.431 -4.029 1.179 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.224 -6.587 -2.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 18.977 -3.402 -1.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 16.369 -5.488 -4.182 1.00 0.00 H new ATOM 0 HH2 TRP A 13 18.225 -3.918 -3.790 1.00 0.00 H new ATOM 168 N LEU A 14 11.509 -7.170 -0.078 1.00 0.00 N ATOM 169 CA LEU A 14 10.396 -8.092 -0.278 1.00 0.00 C ATOM 170 C LEU A 14 10.533 -8.832 -1.605 1.00 0.00 C ATOM 171 O LEU A 14 10.945 -8.253 -2.610 1.00 0.00 O ATOM 172 CB LEU A 14 9.067 -7.335 -0.239 1.00 0.00 C ATOM 173 CG LEU A 14 8.630 -6.817 1.132 1.00 0.00 C ATOM 174 CD1 LEU A 14 7.500 -5.810 0.987 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.207 -7.971 2.028 1.00 0.00 C ATOM 0 H LEU A 14 11.497 -6.355 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 14 10.414 -8.824 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.134 -6.487 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.286 -7.992 -0.623 1.00 0.00 H new ATOM 0 HG LEU A 14 9.479 -6.315 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.202 -5.453 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.838 -4.968 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.648 -6.286 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.899 -7.584 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.373 -8.502 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.045 -8.656 2.159 1.00 0.00 H new ATOM 187 N ASP A 15 10.183 -10.113 -1.600 1.00 0.00 N ATOM 188 CA ASP A 15 10.264 -10.932 -2.804 1.00 0.00 C ATOM 189 C ASP A 15 9.003 -10.782 -3.649 1.00 0.00 C ATOM 190 O ASP A 15 7.989 -11.432 -3.392 1.00 0.00 O ATOM 191 CB ASP A 15 10.473 -12.402 -2.434 1.00 0.00 C ATOM 192 CG ASP A 15 11.937 -12.749 -2.248 1.00 0.00 C ATOM 193 OD1 ASP A 15 12.730 -12.495 -3.179 1.00 0.00 O ATOM 194 OD2 ASP A 15 12.290 -13.276 -1.172 1.00 0.00 O ATOM 0 H ASP A 15 9.840 -10.607 -0.776 1.00 0.00 H new ATOM 0 HA ASP A 15 11.116 -10.588 -3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.930 -12.623 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.049 -13.034 -3.214 1.00 0.00 H new ATOM 199 N LYS A 16 9.072 -9.921 -4.658 1.00 0.00 N ATOM 200 CA LYS A 16 7.937 -9.684 -5.542 1.00 0.00 C ATOM 201 C LYS A 16 8.144 -10.369 -6.890 1.00 0.00 C ATOM 202 O LYS A 16 9.274 -10.500 -7.363 1.00 0.00 O ATOM 203 CB LYS A 16 7.729 -8.182 -5.748 1.00 0.00 C ATOM 204 CG LYS A 16 6.552 -7.849 -6.649 1.00 0.00 C ATOM 205 CD LYS A 16 6.689 -6.462 -7.254 1.00 0.00 C ATOM 206 CE LYS A 16 5.468 -6.093 -8.084 1.00 0.00 C ATOM 207 NZ LYS A 16 5.583 -6.580 -9.487 1.00 0.00 N ATOM 0 H LYS A 16 9.903 -9.375 -4.884 1.00 0.00 H new ATOM 0 HA LYS A 16 7.049 -10.106 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.579 -7.708 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.636 -7.753 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.482 -8.589 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.626 -7.908 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.825 -5.729 -6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.581 -6.423 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.575 -6.517 -7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.343 -5.010 -8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.732 -6.309 -10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.421 -6.156 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.677 -7.616 -9.488 1.00 0.00 H new ATOM 221 N LEU A 17 7.049 -10.802 -7.503 1.00 0.00 N ATOM 222 CA LEU A 17 7.110 -11.472 -8.797 1.00 0.00 C ATOM 223 C LEU A 17 6.915 -10.476 -9.936 1.00 0.00 C ATOM 224 O LEU A 17 5.790 -10.083 -10.244 1.00 0.00 O ATOM 225 CB LEU A 17 6.048 -12.570 -8.877 1.00 0.00 C ATOM 226 CG LEU A 17 5.937 -13.301 -10.215 1.00 0.00 C ATOM 227 CD1 LEU A 17 7.134 -14.215 -10.424 1.00 0.00 C ATOM 228 CD2 LEU A 17 4.640 -14.093 -10.284 1.00 0.00 C ATOM 0 H LEU A 17 6.107 -10.701 -7.125 1.00 0.00 H new ATOM 0 HA LEU A 17 8.097 -11.923 -8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.256 -13.306 -8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.079 -12.128 -8.646 1.00 0.00 H new ATOM 0 HG LEU A 17 5.929 -12.559 -11.013 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.038 -14.727 -11.381 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.049 -13.623 -10.419 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.174 -14.951 -9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.578 -14.607 -11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.618 -14.826 -9.478 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.793 -13.414 -10.181 1.00 0.00 H new ATOM 372 N GLN A 26 11.641 -11.663 -8.106 1.00 0.00 N ATOM 373 CA GLN A 26 12.594 -10.580 -8.315 1.00 0.00 C ATOM 374 C GLN A 26 12.786 -9.770 -7.037 1.00 0.00 C ATOM 375 O GLN A 26 11.968 -8.912 -6.704 1.00 0.00 O ATOM 376 CB GLN A 26 12.120 -9.666 -9.446 1.00 0.00 C ATOM 377 CG GLN A 26 13.255 -9.012 -10.217 1.00 0.00 C ATOM 378 CD GLN A 26 14.335 -8.458 -9.308 1.00 0.00 C ATOM 379 OE1 GLN A 26 14.264 -7.310 -8.868 1.00 0.00 O ATOM 380 NE2 GLN A 26 15.343 -9.274 -9.021 1.00 0.00 N ATOM 0 HA GLN A 26 13.552 -11.021 -8.591 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.509 -10.245 -10.138 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.480 -8.888 -9.029 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.696 -9.742 -10.896 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.854 -8.206 -10.832 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.361 -10.218 -9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.099 -8.957 -8.414 1.00 0.00 H new ATOM 389 N LYS A 27 13.872 -10.048 -6.323 1.00 0.00 N ATOM 390 CA LYS A 27 14.173 -9.346 -5.082 1.00 0.00 C ATOM 391 C LYS A 27 14.246 -7.840 -5.313 1.00 0.00 C ATOM 392 O LYS A 27 15.018 -7.367 -6.148 1.00 0.00 O ATOM 393 CB LYS A 27 15.494 -9.847 -4.495 1.00 0.00 C ATOM 394 CG LYS A 27 15.650 -9.559 -3.012 1.00 0.00 C ATOM 395 CD LYS A 27 16.927 -10.168 -2.457 1.00 0.00 C ATOM 396 CE LYS A 27 16.787 -11.669 -2.255 1.00 0.00 C ATOM 397 NZ LYS A 27 17.074 -12.426 -3.505 1.00 0.00 N ATOM 0 H LYS A 27 14.559 -10.756 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 27 13.369 -9.549 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.569 -10.922 -4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.320 -9.385 -5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.659 -8.481 -2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.791 -9.956 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.753 -9.967 -3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.175 -9.694 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.468 -11.995 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.776 -11.897 -1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.187 -12.811 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.507 -11.790 -4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.728 -13.207 -3.296 1.00 0.00 H new ATOM 411 N ARG A 28 13.441 -7.091 -4.567 1.00 0.00 N ATOM 412 CA ARG A 28 13.415 -5.639 -4.691 1.00 0.00 C ATOM 413 C ARG A 28 13.107 -4.984 -3.347 1.00 0.00 C ATOM 414 O ARG A 28 12.195 -5.403 -2.636 1.00 0.00 O ATOM 415 CB ARG A 28 12.375 -5.212 -5.728 1.00 0.00 C ATOM 416 CG ARG A 28 12.894 -5.236 -7.157 1.00 0.00 C ATOM 417 CD ARG A 28 12.031 -4.387 -8.077 1.00 0.00 C ATOM 418 NE ARG A 28 10.836 -5.101 -8.520 1.00 0.00 N ATOM 419 CZ ARG A 28 10.168 -4.799 -9.628 1.00 0.00 C ATOM 420 NH1 ARG A 28 10.577 -3.803 -10.402 1.00 0.00 N ATOM 421 NH2 ARG A 28 9.090 -5.495 -9.964 1.00 0.00 N ATOM 0 H ARG A 28 12.798 -7.466 -3.870 1.00 0.00 H new ATOM 0 HA ARG A 28 14.401 -5.310 -5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.509 -5.870 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.031 -4.205 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.920 -4.870 -7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.914 -6.263 -7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.737 -3.475 -7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.616 -4.085 -8.946 1.00 0.00 H new ATOM 0 HE ARG A 28 10.496 -5.874 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.406 -3.267 -10.147 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.062 -3.573 -11.252 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.773 -6.263 -9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.578 -5.263 -10.815 1.00 0.00 H new ATOM 435 N TRP A 29 13.875 -3.955 -3.008 1.00 0.00 N ATOM 436 CA TRP A 29 13.685 -3.242 -1.749 1.00 0.00 C ATOM 437 C TRP A 29 12.442 -2.360 -1.805 1.00 0.00 C ATOM 438 O TRP A 29 12.288 -1.545 -2.715 1.00 0.00 O ATOM 439 CB TRP A 29 14.915 -2.391 -1.430 1.00 0.00 C ATOM 440 CG TRP A 29 14.634 -1.279 -0.466 1.00 0.00 C ATOM 441 CD1 TRP A 29 13.960 -0.120 -0.725 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.022 -1.220 0.911 1.00 0.00 C ATOM 443 NE1 TRP A 29 13.905 0.656 0.407 1.00 0.00 N ATOM 444 CE2 TRP A 29 14.548 0.003 1.425 1.00 0.00 C ATOM 445 CE3 TRP A 29 15.721 -2.082 1.761 1.00 0.00 C ATOM 446 CZ2 TRP A 29 14.754 0.383 2.749 1.00 0.00 C ATOM 447 CZ3 TRP A 29 15.924 -1.703 3.074 1.00 0.00 C ATOM 448 CH2 TRP A 29 15.441 -0.480 3.558 1.00 0.00 C ATOM 0 H TRP A 29 14.635 -3.596 -3.586 1.00 0.00 H new ATOM 0 HA TRP A 29 13.548 -3.981 -0.959 1.00 0.00 H new ATOM 0 HB2 TRP A 29 15.694 -3.032 -1.017 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.306 -1.969 -2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.533 0.147 -1.680 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.458 1.570 0.478 1.00 0.00 H new ATOM 0 HE3 TRP A 29 16.096 -3.028 1.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 14.384 1.326 3.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 16.464 -2.361 3.739 1.00 0.00 H new ATOM 0 HH2 TRP A 29 15.615 -0.213 4.590 1.00 0.00 H new ATOM 459 N VAL A 30 11.557 -2.529 -0.828 1.00 0.00 N ATOM 460 CA VAL A 30 10.328 -1.746 -0.766 1.00 0.00 C ATOM 461 C VAL A 30 10.337 -0.804 0.432 1.00 0.00 C ATOM 462 O VAL A 30 10.914 -1.112 1.475 1.00 0.00 O ATOM 463 CB VAL A 30 9.088 -2.655 -0.681 1.00 0.00 C ATOM 464 CG1 VAL A 30 7.822 -1.821 -0.560 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.018 -3.574 -1.891 1.00 0.00 C ATOM 0 H VAL A 30 11.668 -3.201 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 30 10.278 -1.161 -1.684 1.00 0.00 H new ATOM 0 HB VAL A 30 9.173 -3.274 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.956 -2.480 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.874 -1.209 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.727 -1.175 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.136 -4.209 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.956 -2.975 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.912 -4.197 -1.927 1.00 0.00 H new ATOM 475 N LYS A 31 9.692 0.348 0.276 1.00 0.00 N ATOM 476 CA LYS A 31 9.623 1.337 1.345 1.00 0.00 C ATOM 477 C LYS A 31 8.293 2.083 1.311 1.00 0.00 C ATOM 478 O LYS A 31 7.859 2.550 0.257 1.00 0.00 O ATOM 479 CB LYS A 31 10.781 2.331 1.225 1.00 0.00 C ATOM 480 CG LYS A 31 10.715 3.467 2.231 1.00 0.00 C ATOM 481 CD LYS A 31 10.895 2.964 3.653 1.00 0.00 C ATOM 482 CE LYS A 31 10.318 3.940 4.667 1.00 0.00 C ATOM 483 NZ LYS A 31 11.196 5.129 4.853 1.00 0.00 N ATOM 0 H LYS A 31 9.210 0.619 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 31 9.701 0.812 2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.722 1.797 1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.787 2.749 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.488 4.201 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.755 3.977 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.408 1.995 3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.955 2.812 3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.331 4.265 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.184 3.434 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.769 5.770 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.130 4.821 5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.303 5.627 3.946 1.00 0.00 H new ATOM 497 N PHE A 32 7.652 2.194 2.469 1.00 0.00 N ATOM 498 CA PHE A 32 6.371 2.885 2.571 1.00 0.00 C ATOM 499 C PHE A 32 6.442 4.013 3.596 1.00 0.00 C ATOM 500 O PHE A 32 6.803 3.794 4.752 1.00 0.00 O ATOM 501 CB PHE A 32 5.266 1.899 2.956 1.00 0.00 C ATOM 502 CG PHE A 32 3.906 2.531 3.052 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.340 3.159 1.955 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.195 2.497 4.241 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.090 3.742 2.041 1.00 0.00 C ATOM 506 CE2 PHE A 32 1.944 3.078 4.333 1.00 0.00 C ATOM 507 CZ PHE A 32 1.391 3.700 3.232 1.00 0.00 C ATOM 0 H PHE A 32 7.998 1.815 3.350 1.00 0.00 H new ATOM 0 HA PHE A 32 6.140 3.317 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.234 1.096 2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.515 1.443 3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.882 3.194 1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.623 2.011 5.105 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.660 4.230 1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.400 3.045 5.265 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.413 4.153 3.301 1.00 0.00 H new ATOM 517 N ASP A 33 6.094 5.220 3.162 1.00 0.00 N ATOM 518 CA ASP A 33 6.117 6.383 4.041 1.00 0.00 C ATOM 519 C ASP A 33 4.701 6.846 4.367 1.00 0.00 C ATOM 520 O ASP A 33 4.484 7.996 4.747 1.00 0.00 O ATOM 521 CB ASP A 33 6.903 7.524 3.392 1.00 0.00 C ATOM 522 CG ASP A 33 7.300 8.594 4.389 1.00 0.00 C ATOM 523 OD1 ASP A 33 6.504 9.533 4.601 1.00 0.00 O ATOM 524 OD2 ASP A 33 8.407 8.493 4.958 1.00 0.00 O ATOM 0 H ASP A 33 5.793 5.418 2.208 1.00 0.00 H new ATOM 0 HA ASP A 33 6.609 6.095 4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.799 7.121 2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.301 7.973 2.602 1.00 0.00 H new ATOM 529 N GLY A 34 3.738 5.941 4.215 1.00 0.00 N ATOM 530 CA GLY A 34 2.354 6.276 4.497 1.00 0.00 C ATOM 531 C GLY A 34 1.618 6.778 3.271 1.00 0.00 C ATOM 532 O GLY A 34 0.443 6.467 3.072 1.00 0.00 O ATOM 0 H GLY A 34 3.892 4.983 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.843 5.397 4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.319 7.038 5.275 1.00 0.00 H new ATOM 536 N LEU A 35 2.309 7.558 2.446 1.00 0.00 N ATOM 537 CA LEU A 35 1.713 8.106 1.233 1.00 0.00 C ATOM 538 C LEU A 35 1.653 7.052 0.131 1.00 0.00 C ATOM 539 O LEU A 35 0.573 6.671 -0.319 1.00 0.00 O ATOM 540 CB LEU A 35 2.511 9.318 0.751 1.00 0.00 C ATOM 541 CG LEU A 35 3.986 9.353 1.154 1.00 0.00 C ATOM 542 CD1 LEU A 35 4.789 10.187 0.167 1.00 0.00 C ATOM 543 CD2 LEU A 35 4.141 9.899 2.566 1.00 0.00 C ATOM 0 H LEU A 35 3.282 7.825 2.595 1.00 0.00 H new ATOM 0 HA LEU A 35 0.695 8.419 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.451 9.358 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.030 10.219 1.131 1.00 0.00 H new ATOM 0 HG LEU A 35 4.372 8.334 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.836 10.201 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.705 9.753 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.402 11.206 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.197 9.916 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.738 10.911 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.599 9.261 3.264 1.00 0.00 H new ATOM 555 N SER A 36 2.821 6.584 -0.297 1.00 0.00 N ATOM 556 CA SER A 36 2.902 5.575 -1.346 1.00 0.00 C ATOM 557 C SER A 36 4.062 4.617 -1.091 1.00 0.00 C ATOM 558 O SER A 36 4.834 4.797 -0.148 1.00 0.00 O ATOM 559 CB SER A 36 3.069 6.243 -2.713 1.00 0.00 C ATOM 560 OG SER A 36 2.062 7.215 -2.931 1.00 0.00 O ATOM 0 H SER A 36 3.724 6.888 0.067 1.00 0.00 H new ATOM 0 HA SER A 36 1.974 5.004 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.051 6.712 -2.775 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.026 5.488 -3.498 1.00 0.00 H new ATOM 0 HG SER A 36 2.191 7.628 -3.810 1.00 0.00 H new ATOM 566 N ILE A 37 4.178 3.599 -1.937 1.00 0.00 N ATOM 567 CA ILE A 37 5.243 2.614 -1.804 1.00 0.00 C ATOM 568 C ILE A 37 6.239 2.722 -2.954 1.00 0.00 C ATOM 569 O ILE A 37 5.933 2.361 -4.090 1.00 0.00 O ATOM 570 CB ILE A 37 4.682 1.180 -1.761 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.604 1.064 -0.681 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.801 0.180 -1.509 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.675 -0.113 -0.878 1.00 0.00 C ATOM 0 H ILE A 37 3.547 3.435 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 37 5.752 2.826 -0.864 1.00 0.00 H new ATOM 0 HB ILE A 37 4.230 0.953 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.085 0.978 0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.016 1.982 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.388 -0.828 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.538 0.249 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.280 0.402 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.937 -0.132 -0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.166 -0.018 -1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.251 -1.038 -0.863 1.00 0.00 H new ATOM 585 N SER A 38 7.433 3.221 -2.650 1.00 0.00 N ATOM 586 CA SER A 38 8.475 3.380 -3.658 1.00 0.00 C ATOM 587 C SER A 38 9.606 2.381 -3.432 1.00 0.00 C ATOM 588 O SER A 38 10.318 2.449 -2.429 1.00 0.00 O ATOM 589 CB SER A 38 9.026 4.806 -3.633 1.00 0.00 C ATOM 590 OG SER A 38 7.992 5.756 -3.830 1.00 0.00 O ATOM 0 H SER A 38 7.703 3.522 -1.714 1.00 0.00 H new ATOM 0 HA SER A 38 8.033 3.187 -4.635 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.518 4.992 -2.679 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.782 4.921 -4.409 1.00 0.00 H new ATOM 0 HG SER A 38 8.370 6.660 -3.808 1.00 0.00 H new ATOM 596 N TYR A 39 9.766 1.455 -4.371 1.00 0.00 N ATOM 597 CA TYR A 39 10.809 0.441 -4.274 1.00 0.00 C ATOM 598 C TYR A 39 11.954 0.744 -5.235 1.00 0.00 C ATOM 599 O TYR A 39 11.786 1.479 -6.208 1.00 0.00 O ATOM 600 CB TYR A 39 10.231 -0.944 -4.572 1.00 0.00 C ATOM 601 CG TYR A 39 9.610 -1.058 -5.946 1.00 0.00 C ATOM 602 CD1 TYR A 39 10.374 -1.425 -7.047 1.00 0.00 C ATOM 603 CD2 TYR A 39 8.258 -0.801 -6.142 1.00 0.00 C ATOM 604 CE1 TYR A 39 9.810 -1.530 -8.304 1.00 0.00 C ATOM 605 CE2 TYR A 39 7.686 -0.905 -7.395 1.00 0.00 C ATOM 606 CZ TYR A 39 8.466 -1.269 -8.473 1.00 0.00 C ATOM 607 OH TYR A 39 7.901 -1.374 -9.723 1.00 0.00 O ATOM 0 H TYR A 39 9.187 1.386 -5.208 1.00 0.00 H new ATOM 0 HA TYR A 39 11.200 0.454 -3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 39 11.023 -1.687 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.478 -1.184 -3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.426 -1.632 -6.918 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.644 -0.515 -5.300 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.418 -1.815 -9.150 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.634 -0.702 -7.530 1.00 0.00 H new ATOM 0 HH TYR A 39 6.947 -1.158 -9.670 1.00 0.00 H new ATOM 617 N TYR A 40 13.119 0.171 -4.955 1.00 0.00 N ATOM 618 CA TYR A 40 14.295 0.380 -5.793 1.00 0.00 C ATOM 619 C TYR A 40 14.967 -0.948 -6.129 1.00 0.00 C ATOM 620 O TYR A 40 14.595 -1.995 -5.602 1.00 0.00 O ATOM 621 CB TYR A 40 15.290 1.304 -5.089 1.00 0.00 C ATOM 622 CG TYR A 40 14.655 2.548 -4.510 1.00 0.00 C ATOM 623 CD1 TYR A 40 14.444 3.674 -5.296 1.00 0.00 C ATOM 624 CD2 TYR A 40 14.268 2.598 -3.176 1.00 0.00 C ATOM 625 CE1 TYR A 40 13.865 4.814 -4.770 1.00 0.00 C ATOM 626 CE2 TYR A 40 13.688 3.732 -2.643 1.00 0.00 C ATOM 627 CZ TYR A 40 13.488 4.837 -3.444 1.00 0.00 C ATOM 628 OH TYR A 40 12.911 5.970 -2.916 1.00 0.00 O ATOM 0 H TYR A 40 13.275 -0.442 -4.155 1.00 0.00 H new ATOM 0 HA TYR A 40 13.970 0.847 -6.722 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.783 0.752 -4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.065 1.598 -5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.737 3.659 -6.335 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.424 1.735 -2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 40 13.709 5.681 -5.394 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.392 3.754 -1.604 1.00 0.00 H new ATOM 0 HH TYR A 40 12.704 5.821 -1.970 1.00 0.00 H new ATOM 789 N GLY A 50 9.084 3.153 -10.768 1.00 0.00 N ATOM 790 CA GLY A 50 8.121 2.204 -10.242 1.00 0.00 C ATOM 791 C GLY A 50 7.649 2.568 -8.849 1.00 0.00 C ATOM 792 O GLY A 50 8.360 2.348 -7.868 1.00 0.00 O ATOM 0 HA2 GLY A 50 7.262 2.154 -10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.568 1.210 -10.222 1.00 0.00 H new ATOM 796 N ILE A 51 6.447 3.128 -8.760 1.00 0.00 N ATOM 797 CA ILE A 51 5.882 3.524 -7.476 1.00 0.00 C ATOM 798 C ILE A 51 4.408 3.144 -7.383 1.00 0.00 C ATOM 799 O ILE A 51 3.656 3.295 -8.347 1.00 0.00 O ATOM 800 CB ILE A 51 6.026 5.039 -7.241 1.00 0.00 C ATOM 801 CG1 ILE A 51 6.165 5.335 -5.746 1.00 0.00 C ATOM 802 CG2 ILE A 51 4.832 5.781 -7.823 1.00 0.00 C ATOM 803 CD1 ILE A 51 4.840 5.502 -5.037 1.00 0.00 C ATOM 0 H ILE A 51 5.846 3.318 -9.562 1.00 0.00 H new ATOM 0 HA ILE A 51 6.441 2.991 -6.707 1.00 0.00 H new ATOM 0 HB ILE A 51 6.927 5.386 -7.747 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.721 4.525 -5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.754 6.243 -5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.948 6.851 -7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.773 5.592 -8.895 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.918 5.433 -7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.016 5.709 -3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.291 6.331 -5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.257 4.586 -5.135 1.00 0.00 H new ATOM 815 N ILE A 52 4.002 2.653 -6.217 1.00 0.00 N ATOM 816 CA ILE A 52 2.617 2.254 -5.998 1.00 0.00 C ATOM 817 C ILE A 52 1.910 3.220 -5.054 1.00 0.00 C ATOM 818 O ILE A 52 2.205 3.289 -3.860 1.00 0.00 O ATOM 819 CB ILE A 52 2.526 0.830 -5.420 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.239 -0.164 -6.340 1.00 0.00 C ATOM 821 CG2 ILE A 52 1.071 0.429 -5.224 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.754 -1.390 -5.620 1.00 0.00 C ATOM 0 H ILE A 52 4.612 2.522 -5.410 1.00 0.00 H new ATOM 0 HA ILE A 52 2.125 2.274 -6.970 1.00 0.00 H new ATOM 0 HB ILE A 52 3.020 0.816 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.552 -0.476 -7.127 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.074 0.339 -6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.024 -0.580 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.592 1.123 -4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.554 0.456 -6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.248 -2.050 -6.333 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.466 -1.088 -4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.920 -1.916 -5.155 1.00 0.00 H new ATOM 834 N PRO A 53 0.952 3.985 -5.598 1.00 0.00 N ATOM 835 CA PRO A 53 0.180 4.960 -4.821 1.00 0.00 C ATOM 836 C PRO A 53 -0.775 4.292 -3.838 1.00 0.00 C ATOM 837 O PRO A 53 -1.375 3.261 -4.143 1.00 0.00 O ATOM 838 CB PRO A 53 -0.602 5.726 -5.891 1.00 0.00 C ATOM 839 CG PRO A 53 -0.714 4.776 -7.032 1.00 0.00 C ATOM 840 CD PRO A 53 0.547 3.957 -7.014 1.00 0.00 C ATOM 0 HA PRO A 53 0.821 5.593 -4.208 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.585 6.023 -5.526 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.082 6.638 -6.185 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.593 4.141 -6.926 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.819 5.311 -7.976 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.370 2.939 -7.361 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.314 4.385 -7.660 1.00 0.00 H new ATOM 848 N LEU A 54 -0.912 4.886 -2.657 1.00 0.00 N ATOM 849 CA LEU A 54 -1.795 4.349 -1.628 1.00 0.00 C ATOM 850 C LEU A 54 -3.221 4.210 -2.153 1.00 0.00 C ATOM 851 O LEU A 54 -3.909 3.233 -1.858 1.00 0.00 O ATOM 852 CB LEU A 54 -1.780 5.251 -0.393 1.00 0.00 C ATOM 853 CG LEU A 54 -2.936 5.064 0.589 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.756 3.783 1.388 1.00 0.00 C ATOM 855 CD2 LEU A 54 -3.046 6.263 1.519 1.00 0.00 C ATOM 0 H LEU A 54 -0.423 5.740 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.431 3.360 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.845 5.085 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.777 6.289 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.862 4.986 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.589 3.667 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.728 2.931 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.822 3.831 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.874 6.112 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.119 6.373 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.224 7.164 0.932 1.00 0.00 H new ATOM 867 N SER A 55 -3.657 5.192 -2.935 1.00 0.00 N ATOM 868 CA SER A 55 -5.001 5.181 -3.500 1.00 0.00 C ATOM 869 C SER A 55 -5.266 3.875 -4.244 1.00 0.00 C ATOM 870 O SER A 55 -6.313 3.252 -4.072 1.00 0.00 O ATOM 871 CB SER A 55 -5.190 6.368 -4.446 1.00 0.00 C ATOM 872 OG SER A 55 -6.545 6.495 -4.841 1.00 0.00 O ATOM 0 H SER A 55 -3.099 6.006 -3.192 1.00 0.00 H new ATOM 0 HA SER A 55 -5.714 5.263 -2.680 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.864 7.284 -3.954 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.562 6.238 -5.327 1.00 0.00 H new ATOM 0 HG SER A 55 -6.639 7.262 -5.444 1.00 0.00 H new ATOM 878 N ALA A 56 -4.309 3.468 -5.071 1.00 0.00 N ATOM 879 CA ALA A 56 -4.437 2.236 -5.840 1.00 0.00 C ATOM 880 C ALA A 56 -4.879 1.078 -4.952 1.00 0.00 C ATOM 881 O ALA A 56 -5.804 0.341 -5.293 1.00 0.00 O ATOM 882 CB ALA A 56 -3.120 1.904 -6.527 1.00 0.00 C ATOM 0 H ALA A 56 -3.437 3.973 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.203 2.389 -6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.230 0.982 -7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.846 2.717 -7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.340 1.776 -5.776 1.00 0.00 H new ATOM 888 N ILE A 57 -4.212 0.924 -3.813 1.00 0.00 N ATOM 889 CA ILE A 57 -4.537 -0.145 -2.877 1.00 0.00 C ATOM 890 C ILE A 57 -6.029 -0.167 -2.564 1.00 0.00 C ATOM 891 O ILE A 57 -6.494 0.520 -1.655 1.00 0.00 O ATOM 892 CB ILE A 57 -3.751 0.001 -1.561 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.245 -0.029 -1.834 1.00 0.00 C ATOM 894 CG2 ILE A 57 -4.139 -1.101 -0.587 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.406 0.359 -0.637 1.00 0.00 C ATOM 0 H ILE A 57 -3.444 1.526 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.255 -1.082 -3.358 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.001 0.962 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.962 -1.031 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.020 0.646 -2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.575 -0.984 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.206 -1.038 -0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.915 -2.072 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.350 0.315 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.661 1.373 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.602 -0.331 0.184 1.00 0.00 H new ATOM 907 N SER A 58 -6.776 -0.963 -3.324 1.00 0.00 N ATOM 908 CA SER A 58 -8.217 -1.074 -3.130 1.00 0.00 C ATOM 909 C SER A 58 -8.537 -1.969 -1.936 1.00 0.00 C ATOM 910 O SER A 58 -9.385 -1.639 -1.107 1.00 0.00 O ATOM 911 CB SER A 58 -8.881 -1.628 -4.391 1.00 0.00 C ATOM 912 OG SER A 58 -10.288 -1.462 -4.341 1.00 0.00 O ATOM 0 H SER A 58 -6.407 -1.540 -4.080 1.00 0.00 H new ATOM 0 HA SER A 58 -8.610 -0.077 -2.930 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.483 -1.120 -5.269 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.640 -2.686 -4.498 1.00 0.00 H new ATOM 0 HG SER A 58 -10.689 -1.823 -5.159 1.00 0.00 H new ATOM 918 N THR A 59 -7.851 -3.105 -1.856 1.00 0.00 N ATOM 919 CA THR A 59 -8.062 -4.049 -0.766 1.00 0.00 C ATOM 920 C THR A 59 -6.943 -5.083 -0.710 1.00 0.00 C ATOM 921 O THR A 59 -6.484 -5.572 -1.742 1.00 0.00 O ATOM 922 CB THR A 59 -9.412 -4.778 -0.908 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.741 -5.441 0.318 1.00 0.00 O ATOM 924 CG2 THR A 59 -9.363 -5.791 -2.041 1.00 0.00 C ATOM 0 H THR A 59 -7.145 -3.393 -2.533 1.00 0.00 H new ATOM 0 HA THR A 59 -8.065 -3.470 0.158 1.00 0.00 H new ATOM 0 HB THR A 59 -10.178 -4.037 -1.137 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.601 -5.901 0.221 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.327 -6.293 -2.122 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.141 -5.279 -2.977 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.586 -6.528 -1.837 1.00 0.00 H new ATOM 932 N VAL A 60 -6.507 -5.412 0.502 1.00 0.00 N ATOM 933 CA VAL A 60 -5.442 -6.389 0.693 1.00 0.00 C ATOM 934 C VAL A 60 -6.005 -7.735 1.134 1.00 0.00 C ATOM 935 O VAL A 60 -6.987 -7.797 1.875 1.00 0.00 O ATOM 936 CB VAL A 60 -4.418 -5.906 1.737 1.00 0.00 C ATOM 937 CG1 VAL A 60 -3.295 -6.921 1.893 1.00 0.00 C ATOM 938 CG2 VAL A 60 -3.865 -4.543 1.349 1.00 0.00 C ATOM 0 H VAL A 60 -6.875 -5.016 1.367 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.942 -6.505 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.923 -5.808 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.581 -6.563 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.709 -7.875 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.789 -7.054 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.143 -4.217 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.375 -4.612 0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.681 -3.822 1.293 1.00 0.00 H new ATOM 948 N ARG A 61 -5.376 -8.812 0.676 1.00 0.00 N ATOM 949 CA ARG A 61 -5.814 -10.159 1.023 1.00 0.00 C ATOM 950 C ARG A 61 -4.617 -11.077 1.256 1.00 0.00 C ATOM 951 O ARG A 61 -3.783 -11.263 0.370 1.00 0.00 O ATOM 952 CB ARG A 61 -6.701 -10.731 -0.085 1.00 0.00 C ATOM 953 CG ARG A 61 -6.076 -10.651 -1.468 1.00 0.00 C ATOM 954 CD ARG A 61 -7.049 -11.103 -2.546 1.00 0.00 C ATOM 955 NE ARG A 61 -7.145 -12.558 -2.621 1.00 0.00 N ATOM 956 CZ ARG A 61 -7.946 -13.283 -1.847 1.00 0.00 C ATOM 957 NH1 ARG A 61 -8.715 -12.690 -0.945 1.00 0.00 N ATOM 958 NH2 ARG A 61 -7.977 -14.603 -1.976 1.00 0.00 N ATOM 0 H ARG A 61 -4.561 -8.778 0.063 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.390 -10.100 1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.926 -11.773 0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.650 -10.194 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.761 -9.627 -1.667 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.181 -11.272 -1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.035 -10.685 -2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.729 -10.711 -3.511 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.566 -13.045 -3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.693 -11.675 -0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.329 -13.248 -0.352 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.386 -15.062 -2.669 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.592 -15.159 -1.382 1.00 0.00 H new ATOM 972 N VAL A 62 -4.540 -11.648 2.454 1.00 0.00 N ATOM 973 CA VAL A 62 -3.447 -12.546 2.803 1.00 0.00 C ATOM 974 C VAL A 62 -3.257 -13.621 1.739 1.00 0.00 C ATOM 975 O VAL A 62 -4.198 -13.980 1.032 1.00 0.00 O ATOM 976 CB VAL A 62 -3.691 -13.225 4.164 1.00 0.00 C ATOM 977 CG1 VAL A 62 -3.830 -12.182 5.263 1.00 0.00 C ATOM 978 CG2 VAL A 62 -4.924 -14.114 4.102 1.00 0.00 C ATOM 0 H VAL A 62 -5.222 -11.504 3.199 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.545 -11.937 2.865 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.831 -13.852 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.002 -12.680 6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.916 -11.591 5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.672 -11.527 5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.082 -14.586 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.795 -13.511 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.780 -14.883 3.343 1.00 0.00 H new ATOM 988 N GLN A 63 -2.034 -14.131 1.631 1.00 0.00 N ATOM 989 CA GLN A 63 -1.721 -15.165 0.652 1.00 0.00 C ATOM 990 C GLN A 63 -1.432 -16.495 1.340 1.00 0.00 C ATOM 991 O GLN A 63 -1.450 -16.589 2.566 1.00 0.00 O ATOM 992 CB GLN A 63 -0.521 -14.745 -0.198 1.00 0.00 C ATOM 993 CG GLN A 63 -0.842 -13.653 -1.205 1.00 0.00 C ATOM 994 CD GLN A 63 -1.889 -14.079 -2.215 1.00 0.00 C ATOM 995 OE1 GLN A 63 -3.089 -14.030 -1.941 1.00 0.00 O ATOM 996 NE2 GLN A 63 -1.440 -14.500 -3.392 1.00 0.00 N ATOM 0 H GLN A 63 -1.244 -13.845 2.209 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.589 -15.293 0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.276 -14.398 0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.139 -15.617 -0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.193 -12.767 -0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.070 -13.369 -1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.437 -14.524 -3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.098 -14.799 -4.112 1.00 0.00 H new ATOM 1005 N GLY A 64 -1.166 -17.524 0.540 1.00 0.00 N ATOM 1006 CA GLY A 64 -0.877 -18.836 1.089 1.00 0.00 C ATOM 1007 C GLY A 64 -0.163 -18.761 2.424 1.00 0.00 C ATOM 1008 O GLY A 64 -0.795 -18.827 3.479 1.00 0.00 O ATOM 0 H GLY A 64 -1.146 -17.472 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.808 -19.389 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.263 -19.395 0.383 1.00 0.00 H new ATOM 1012 N ASP A 65 1.158 -18.623 2.380 1.00 0.00 N ATOM 1013 CA ASP A 65 1.959 -18.540 3.596 1.00 0.00 C ATOM 1014 C ASP A 65 2.981 -17.412 3.496 1.00 0.00 C ATOM 1015 O ASP A 65 3.510 -17.133 2.421 1.00 0.00 O ATOM 1016 CB ASP A 65 2.671 -19.869 3.855 1.00 0.00 C ATOM 1017 CG ASP A 65 1.766 -20.890 4.516 1.00 0.00 C ATOM 1018 OD1 ASP A 65 0.957 -21.517 3.801 1.00 0.00 O ATOM 1019 OD2 ASP A 65 1.867 -21.062 5.749 1.00 0.00 O ATOM 0 H ASP A 65 1.697 -18.566 1.516 1.00 0.00 H new ATOM 0 HA ASP A 65 1.290 -18.327 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.039 -20.271 2.911 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.541 -19.695 4.488 1.00 0.00 H new ATOM 1024 N ASN A 66 3.254 -16.766 4.625 1.00 0.00 N ATOM 1025 CA ASN A 66 4.211 -15.667 4.665 1.00 0.00 C ATOM 1026 C ASN A 66 4.146 -14.842 3.384 1.00 0.00 C ATOM 1027 O ASN A 66 5.174 -14.486 2.807 1.00 0.00 O ATOM 1028 CB ASN A 66 5.629 -16.205 4.866 1.00 0.00 C ATOM 1029 CG ASN A 66 5.720 -17.177 6.027 1.00 0.00 C ATOM 1030 OD1 ASN A 66 5.815 -16.770 7.185 1.00 0.00 O ATOM 1031 ND2 ASN A 66 5.690 -18.469 5.722 1.00 0.00 N ATOM 0 H ASN A 66 2.826 -16.985 5.524 1.00 0.00 H new ATOM 0 HA ASN A 66 3.951 -15.023 5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.959 -16.701 3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.310 -15.371 5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.747 -19.169 6.462 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.610 -18.761 4.748 1.00 0.00 H new ATOM 1038 N LYS A 67 2.930 -14.539 2.943 1.00 0.00 N ATOM 1039 CA LYS A 67 2.728 -13.754 1.731 1.00 0.00 C ATOM 1040 C LYS A 67 1.462 -12.910 1.834 1.00 0.00 C ATOM 1041 O LYS A 67 0.727 -12.993 2.818 1.00 0.00 O ATOM 1042 CB LYS A 67 2.642 -14.674 0.511 1.00 0.00 C ATOM 1043 CG LYS A 67 3.990 -15.200 0.050 1.00 0.00 C ATOM 1044 CD LYS A 67 3.945 -15.654 -1.400 1.00 0.00 C ATOM 1045 CE LYS A 67 3.336 -17.041 -1.531 1.00 0.00 C ATOM 1046 NZ LYS A 67 1.850 -17.006 -1.435 1.00 0.00 N ATOM 0 H LYS A 67 2.068 -14.826 3.408 1.00 0.00 H new ATOM 0 HA LYS A 67 3.581 -13.085 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.994 -15.518 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.173 -14.132 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.744 -14.422 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.293 -16.033 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.363 -14.943 -1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.954 -15.658 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.628 -17.477 -2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.735 -17.688 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.445 -17.738 -2.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.561 -17.183 -0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.505 -16.072 -1.734 1.00 0.00 H new ATOM 1060 N PHE A 68 1.212 -12.099 0.811 1.00 0.00 N ATOM 1061 CA PHE A 68 0.034 -11.239 0.787 1.00 0.00 C ATOM 1062 C PHE A 68 -0.184 -10.654 -0.605 1.00 0.00 C ATOM 1063 O PHE A 68 0.763 -10.484 -1.372 1.00 0.00 O ATOM 1064 CB PHE A 68 0.178 -10.111 1.811 1.00 0.00 C ATOM 1065 CG PHE A 68 1.277 -9.141 1.482 1.00 0.00 C ATOM 1066 CD1 PHE A 68 2.605 -9.491 1.662 1.00 0.00 C ATOM 1067 CD2 PHE A 68 0.980 -7.878 0.994 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.618 -8.601 1.360 1.00 0.00 C ATOM 1069 CE2 PHE A 68 1.989 -6.984 0.690 1.00 0.00 C ATOM 1070 CZ PHE A 68 3.310 -7.345 0.875 1.00 0.00 C ATOM 0 H PHE A 68 1.809 -12.019 -0.012 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.833 -11.846 1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.766 -9.570 1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.368 -10.544 2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.852 -10.471 2.043 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.051 -7.590 0.850 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.650 -8.887 1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.745 -6.004 0.308 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.100 -6.647 0.641 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.438 -10.348 -0.923 1.00 0.00 N ATOM 1081 CA GLU A 69 -1.780 -9.783 -2.223 1.00 0.00 C ATOM 1082 C GLU A 69 -2.242 -8.335 -2.082 1.00 0.00 C ATOM 1083 O GLU A 69 -3.124 -8.028 -1.280 1.00 0.00 O ATOM 1084 CB GLU A 69 -2.874 -10.616 -2.894 1.00 0.00 C ATOM 1085 CG GLU A 69 -2.802 -10.606 -4.411 1.00 0.00 C ATOM 1086 CD GLU A 69 -1.746 -11.551 -4.952 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -0.690 -11.696 -4.301 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -1.977 -12.145 -6.025 1.00 0.00 O ATOM 0 H GLU A 69 -2.233 -10.482 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.886 -9.802 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.803 -11.645 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.848 -10.239 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.774 -10.882 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.588 -9.594 -4.754 1.00 0.00 H new ATOM 1095 N VAL A 70 -1.639 -7.449 -2.868 1.00 0.00 N ATOM 1096 CA VAL A 70 -1.987 -6.034 -2.833 1.00 0.00 C ATOM 1097 C VAL A 70 -2.784 -5.633 -4.069 1.00 0.00 C ATOM 1098 O VAL A 70 -2.218 -5.407 -5.139 1.00 0.00 O ATOM 1099 CB VAL A 70 -0.730 -5.148 -2.736 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.107 -3.676 -2.806 1.00 0.00 C ATOM 1101 CG2 VAL A 70 0.036 -5.451 -1.457 1.00 0.00 C ATOM 0 H VAL A 70 -0.907 -7.687 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.599 -5.881 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.082 -5.372 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.206 -3.066 -2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.610 -3.474 -3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.776 -3.432 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.921 -4.817 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.603 -5.256 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.339 -6.498 -1.454 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.101 -5.545 -3.915 1.00 0.00 N ATOM 1112 CA VAL A 71 -4.977 -5.170 -5.019 1.00 0.00 C ATOM 1113 C VAL A 71 -4.805 -3.698 -5.380 1.00 0.00 C ATOM 1114 O VAL A 71 -4.906 -2.821 -4.522 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.455 -5.434 -4.678 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.352 -5.030 -5.838 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -6.664 -6.897 -4.316 1.00 0.00 C ATOM 0 H VAL A 71 -4.585 -5.728 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.694 -5.787 -5.872 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.725 -4.827 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.393 -5.224 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.222 -3.968 -6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.085 -5.608 -6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.714 -7.066 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.377 -7.525 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.050 -7.149 -3.451 1.00 0.00 H new ATOM 1127 N THR A 72 -4.546 -3.434 -6.657 1.00 0.00 N ATOM 1128 CA THR A 72 -4.359 -2.069 -7.132 1.00 0.00 C ATOM 1129 C THR A 72 -5.197 -1.802 -8.378 1.00 0.00 C ATOM 1130 O THR A 72 -5.593 -2.730 -9.084 1.00 0.00 O ATOM 1131 CB THR A 72 -2.880 -1.782 -7.451 1.00 0.00 C ATOM 1132 OG1 THR A 72 -2.344 -2.827 -8.272 1.00 0.00 O ATOM 1133 CG2 THR A 72 -2.064 -1.665 -6.173 1.00 0.00 C ATOM 0 H THR A 72 -4.461 -4.148 -7.381 1.00 0.00 H new ATOM 0 HA THR A 72 -4.684 -1.407 -6.329 1.00 0.00 H new ATOM 0 HB THR A 72 -2.824 -0.835 -7.987 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.384 -2.919 -8.099 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.023 -1.462 -6.423 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.456 -0.850 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.128 -2.599 -5.614 1.00 0.00 H new ATOM 1141 N THR A 73 -5.464 -0.527 -8.644 1.00 0.00 N ATOM 1142 CA THR A 73 -6.254 -0.138 -9.804 1.00 0.00 C ATOM 1143 C THR A 73 -5.610 -0.624 -11.097 1.00 0.00 C ATOM 1144 O THR A 73 -6.273 -1.218 -11.946 1.00 0.00 O ATOM 1145 CB THR A 73 -6.432 1.391 -9.876 1.00 0.00 C ATOM 1146 OG1 THR A 73 -6.946 1.883 -8.633 1.00 0.00 O ATOM 1147 CG2 THR A 73 -7.375 1.773 -11.007 1.00 0.00 C ATOM 0 H THR A 73 -5.144 0.254 -8.071 1.00 0.00 H new ATOM 0 HA THR A 73 -7.232 -0.606 -9.690 1.00 0.00 H new ATOM 0 HB THR A 73 -5.458 1.840 -10.069 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.055 2.856 -8.686 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.485 2.857 -11.038 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.967 1.422 -11.955 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.349 1.314 -10.839 1.00 0.00 H new ATOM 1155 N GLN A 74 -4.313 -0.367 -11.240 1.00 0.00 N ATOM 1156 CA GLN A 74 -3.580 -0.780 -12.430 1.00 0.00 C ATOM 1157 C GLN A 74 -3.621 -2.295 -12.598 1.00 0.00 C ATOM 1158 O GLN A 74 -4.162 -2.806 -13.579 1.00 0.00 O ATOM 1159 CB GLN A 74 -2.129 -0.303 -12.352 1.00 0.00 C ATOM 1160 CG GLN A 74 -1.948 1.161 -12.720 1.00 0.00 C ATOM 1161 CD GLN A 74 -1.723 1.366 -14.205 1.00 0.00 C ATOM 1162 OE1 GLN A 74 -0.599 1.253 -14.695 1.00 0.00 O ATOM 1163 NE2 GLN A 74 -2.793 1.670 -14.930 1.00 0.00 N ATOM 0 H GLN A 74 -3.749 0.125 -10.547 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.059 -0.324 -13.296 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.757 -0.463 -11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.518 -0.914 -13.017 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.830 1.721 -12.409 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.101 1.568 -12.168 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.706 1.753 -14.482 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.702 1.820 -15.935 1.00 0.00 H new ATOM 1172 N ARG A 75 -3.047 -3.008 -11.635 1.00 0.00 N ATOM 1173 CA ARG A 75 -3.017 -4.465 -11.677 1.00 0.00 C ATOM 1174 C ARG A 75 -2.459 -5.035 -10.376 1.00 0.00 C ATOM 1175 O ARG A 75 -1.301 -4.799 -10.027 1.00 0.00 O ATOM 1176 CB ARG A 75 -2.173 -4.945 -12.859 1.00 0.00 C ATOM 1177 CG ARG A 75 -0.720 -4.507 -12.788 1.00 0.00 C ATOM 1178 CD ARG A 75 -0.122 -4.332 -14.176 1.00 0.00 C ATOM 1179 NE ARG A 75 1.312 -4.606 -14.193 1.00 0.00 N ATOM 1180 CZ ARG A 75 2.128 -4.193 -15.156 1.00 0.00 C ATOM 1181 NH1 ARG A 75 1.653 -3.490 -16.175 1.00 0.00 N ATOM 1182 NH2 ARG A 75 3.422 -4.483 -15.101 1.00 0.00 N ATOM 0 H ARG A 75 -2.596 -2.600 -10.816 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.040 -4.821 -11.801 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.214 -6.033 -12.905 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.612 -4.570 -13.784 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.648 -3.568 -12.239 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.143 -5.246 -12.233 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.627 -4.999 -14.875 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.301 -3.314 -14.522 1.00 0.00 H new ATOM 0 HE ARG A 75 1.709 -5.144 -13.423 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.659 -3.265 -16.220 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.282 -3.174 -16.913 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.791 -5.024 -14.319 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.048 -4.165 -15.841 1.00 0.00 H new ATOM 1196 N THR A 76 -3.290 -5.785 -9.660 1.00 0.00 N ATOM 1197 CA THR A 76 -2.882 -6.387 -8.397 1.00 0.00 C ATOM 1198 C THR A 76 -1.430 -6.848 -8.452 1.00 0.00 C ATOM 1199 O THR A 76 -0.972 -7.371 -9.469 1.00 0.00 O ATOM 1200 CB THR A 76 -3.776 -7.587 -8.031 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.151 -7.190 -8.028 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.401 -8.145 -6.667 1.00 0.00 C ATOM 0 H THR A 76 -4.251 -5.990 -9.934 1.00 0.00 H new ATOM 0 HA THR A 76 -2.988 -5.618 -7.632 1.00 0.00 H new ATOM 0 HB THR A 76 -3.625 -8.366 -8.778 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.713 -7.959 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.046 -8.991 -6.430 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.362 -8.473 -6.681 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.526 -7.371 -5.910 1.00 0.00 H new ATOM 1210 N PHE A 77 -0.709 -6.653 -7.353 1.00 0.00 N ATOM 1211 CA PHE A 77 0.692 -7.048 -7.276 1.00 0.00 C ATOM 1212 C PHE A 77 0.910 -8.064 -6.159 1.00 0.00 C ATOM 1213 O PHE A 77 0.346 -7.939 -5.071 1.00 0.00 O ATOM 1214 CB PHE A 77 1.578 -5.823 -7.046 1.00 0.00 C ATOM 1215 CG PHE A 77 1.397 -4.749 -8.082 1.00 0.00 C ATOM 1216 CD1 PHE A 77 1.874 -4.925 -9.371 1.00 0.00 C ATOM 1217 CD2 PHE A 77 0.751 -3.566 -7.766 1.00 0.00 C ATOM 1218 CE1 PHE A 77 1.709 -3.939 -10.325 1.00 0.00 C ATOM 1219 CE2 PHE A 77 0.583 -2.576 -8.716 1.00 0.00 C ATOM 1220 CZ PHE A 77 1.062 -2.763 -9.998 1.00 0.00 C ATOM 0 H PHE A 77 -1.073 -6.223 -6.502 1.00 0.00 H new ATOM 0 HA PHE A 77 0.965 -7.512 -8.224 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.362 -5.408 -6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.622 -6.136 -7.037 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.380 -5.842 -9.633 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.374 -3.415 -6.765 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.086 -4.088 -11.326 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.078 -1.657 -8.456 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.931 -1.992 -10.743 1.00 0.00 H new ATOM 1230 N VAL A 78 1.732 -9.072 -6.435 1.00 0.00 N ATOM 1231 CA VAL A 78 2.026 -10.110 -5.454 1.00 0.00 C ATOM 1232 C VAL A 78 3.332 -9.821 -4.723 1.00 0.00 C ATOM 1233 O VAL A 78 4.350 -9.516 -5.344 1.00 0.00 O ATOM 1234 CB VAL A 78 2.117 -11.498 -6.116 1.00 0.00 C ATOM 1235 CG1 VAL A 78 2.395 -12.569 -5.073 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.840 -11.807 -6.883 1.00 0.00 C ATOM 0 H VAL A 78 2.206 -9.192 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 78 1.205 -10.110 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 78 2.946 -11.491 -6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.456 -13.543 -5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.339 -12.353 -4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.589 -12.580 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.922 -12.791 -7.344 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.008 -11.797 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.690 -11.055 -7.657 1.00 0.00 H new ATOM 1246 N PHE A 79 3.296 -9.919 -3.398 1.00 0.00 N ATOM 1247 CA PHE A 79 4.477 -9.668 -2.581 1.00 0.00 C ATOM 1248 C PHE A 79 4.729 -10.825 -1.618 1.00 0.00 C ATOM 1249 O PHE A 79 3.821 -11.596 -1.307 1.00 0.00 O ATOM 1250 CB PHE A 79 4.313 -8.365 -1.796 1.00 0.00 C ATOM 1251 CG PHE A 79 4.758 -7.148 -2.556 1.00 0.00 C ATOM 1252 CD1 PHE A 79 6.104 -6.901 -2.769 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.829 -6.250 -3.057 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.517 -5.783 -3.468 1.00 0.00 C ATOM 1255 CE2 PHE A 79 4.235 -5.130 -3.757 1.00 0.00 C ATOM 1256 CZ PHE A 79 5.581 -4.895 -3.962 1.00 0.00 C ATOM 0 H PHE A 79 2.462 -10.170 -2.868 1.00 0.00 H new ATOM 0 HA PHE A 79 5.335 -9.578 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.266 -8.247 -1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.883 -8.434 -0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.840 -7.591 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.776 -6.428 -2.898 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.570 -5.604 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.501 -4.439 -4.144 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.901 -4.019 -4.507 1.00 0.00 H new ATOM 1266 N ARG A 80 5.968 -10.941 -1.152 1.00 0.00 N ATOM 1267 CA ARG A 80 6.341 -12.004 -0.227 1.00 0.00 C ATOM 1268 C ARG A 80 7.227 -11.465 0.892 1.00 0.00 C ATOM 1269 O ARG A 80 8.202 -10.757 0.640 1.00 0.00 O ATOM 1270 CB ARG A 80 7.067 -13.126 -0.972 1.00 0.00 C ATOM 1271 CG ARG A 80 7.537 -14.253 -0.068 1.00 0.00 C ATOM 1272 CD ARG A 80 8.505 -15.179 -0.788 1.00 0.00 C ATOM 1273 NE ARG A 80 8.568 -16.498 -0.164 1.00 0.00 N ATOM 1274 CZ ARG A 80 9.601 -17.323 -0.292 1.00 0.00 C ATOM 1275 NH1 ARG A 80 10.651 -16.967 -1.019 1.00 0.00 N ATOM 1276 NH2 ARG A 80 9.585 -18.507 0.307 1.00 0.00 N ATOM 0 H ARG A 80 6.731 -10.311 -1.400 1.00 0.00 H new ATOM 0 HA ARG A 80 5.428 -12.403 0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.402 -13.535 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.928 -12.707 -1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.021 -13.835 0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.676 -14.824 0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.199 -15.285 -1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.499 -14.732 -0.792 1.00 0.00 H new ATOM 0 HE ARG A 80 7.775 -16.802 0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.667 -16.058 -1.481 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.443 -17.602 -1.116 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.779 -18.785 0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.379 -19.140 0.208 1.00 0.00 H new ATOM 1290 N VAL A 81 6.881 -11.806 2.130 1.00 0.00 N ATOM 1291 CA VAL A 81 7.645 -11.358 3.288 1.00 0.00 C ATOM 1292 C VAL A 81 8.669 -12.405 3.710 1.00 0.00 C ATOM 1293 O VAL A 81 8.698 -13.511 3.171 1.00 0.00 O ATOM 1294 CB VAL A 81 6.723 -11.047 4.482 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.928 -9.775 4.227 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.793 -12.220 4.756 1.00 0.00 C ATOM 0 H VAL A 81 6.077 -12.391 2.356 1.00 0.00 H new ATOM 0 HA VAL A 81 8.164 -10.446 2.991 1.00 0.00 H new ATOM 0 HB VAL A 81 7.342 -10.889 5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.283 -9.572 5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.614 -8.940 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.317 -9.901 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.149 -11.983 5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.180 -12.411 3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.384 -13.107 4.986 1.00 0.00 H new ATOM 1306 N GLU A 82 9.508 -12.048 4.678 1.00 0.00 N ATOM 1307 CA GLU A 82 10.534 -12.959 5.172 1.00 0.00 C ATOM 1308 C GLU A 82 10.121 -13.573 6.506 1.00 0.00 C ATOM 1309 O GLU A 82 10.550 -14.672 6.856 1.00 0.00 O ATOM 1310 CB GLU A 82 11.867 -12.223 5.328 1.00 0.00 C ATOM 1311 CG GLU A 82 13.012 -13.123 5.759 1.00 0.00 C ATOM 1312 CD GLU A 82 13.175 -14.332 4.858 1.00 0.00 C ATOM 1313 OE1 GLU A 82 13.718 -14.172 3.745 1.00 0.00 O ATOM 1314 OE2 GLU A 82 12.761 -15.437 5.266 1.00 0.00 O ATOM 0 H GLU A 82 9.497 -11.136 5.135 1.00 0.00 H new ATOM 0 HA GLU A 82 10.652 -13.762 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.125 -11.750 4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.748 -11.425 6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.939 -12.549 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.841 -13.458 6.782 1.00 0.00 H new ATOM 1321 N LYS A 83 9.284 -12.854 7.247 1.00 0.00 N ATOM 1322 CA LYS A 83 8.810 -13.327 8.542 1.00 0.00 C ATOM 1323 C LYS A 83 7.288 -13.261 8.622 1.00 0.00 C ATOM 1324 O LYS A 83 6.658 -12.446 7.950 1.00 0.00 O ATOM 1325 CB LYS A 83 9.427 -12.494 9.669 1.00 0.00 C ATOM 1326 CG LYS A 83 10.875 -12.846 9.963 1.00 0.00 C ATOM 1327 CD LYS A 83 11.582 -11.723 10.703 1.00 0.00 C ATOM 1328 CE LYS A 83 12.986 -12.131 11.123 1.00 0.00 C ATOM 1329 NZ LYS A 83 13.418 -11.432 12.366 1.00 0.00 N ATOM 0 H LYS A 83 8.920 -11.942 6.972 1.00 0.00 H new ATOM 0 HA LYS A 83 9.117 -14.367 8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.365 -11.438 9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.837 -12.631 10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.915 -13.758 10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.397 -13.053 9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.634 -10.841 10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.003 -11.445 11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.019 -13.209 11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.686 -11.906 10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.380 -11.737 12.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.411 -10.404 12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.765 -11.666 13.141 1.00 0.00 H new ATOM 1343 N GLU A 84 6.706 -14.124 9.449 1.00 0.00 N ATOM 1344 CA GLU A 84 5.258 -14.162 9.616 1.00 0.00 C ATOM 1345 C GLU A 84 4.730 -12.815 10.101 1.00 0.00 C ATOM 1346 O GLU A 84 3.746 -12.297 9.574 1.00 0.00 O ATOM 1347 CB GLU A 84 4.865 -15.262 10.605 1.00 0.00 C ATOM 1348 CG GLU A 84 3.423 -15.721 10.463 1.00 0.00 C ATOM 1349 CD GLU A 84 3.072 -16.845 11.420 1.00 0.00 C ATOM 1350 OE1 GLU A 84 3.365 -18.014 11.093 1.00 0.00 O ATOM 1351 OE2 GLU A 84 2.506 -16.555 12.494 1.00 0.00 O ATOM 0 H GLU A 84 7.214 -14.805 10.013 1.00 0.00 H new ATOM 0 HA GLU A 84 4.812 -14.379 8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.525 -16.118 10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.024 -14.900 11.621 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.757 -14.876 10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.250 -16.053 9.439 1.00 0.00 H new ATOM 1358 N GLU A 85 5.393 -12.254 11.107 1.00 0.00 N ATOM 1359 CA GLU A 85 4.989 -10.968 11.664 1.00 0.00 C ATOM 1360 C GLU A 85 4.851 -9.919 10.565 1.00 0.00 C ATOM 1361 O GLU A 85 3.858 -9.194 10.506 1.00 0.00 O ATOM 1362 CB GLU A 85 6.005 -10.498 12.708 1.00 0.00 C ATOM 1363 CG GLU A 85 5.857 -11.187 14.054 1.00 0.00 C ATOM 1364 CD GLU A 85 6.675 -12.461 14.149 1.00 0.00 C ATOM 1365 OE1 GLU A 85 6.488 -13.352 13.295 1.00 0.00 O ATOM 1366 OE2 GLU A 85 7.502 -12.566 15.079 1.00 0.00 O ATOM 0 H GLU A 85 6.211 -12.669 11.553 1.00 0.00 H new ATOM 0 HA GLU A 85 4.019 -11.097 12.144 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.011 -10.674 12.328 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.900 -9.422 12.847 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.164 -10.502 14.844 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.806 -11.420 14.225 1.00 0.00 H new ATOM 1373 N GLU A 86 5.854 -9.844 9.696 1.00 0.00 N ATOM 1374 CA GLU A 86 5.845 -8.883 8.599 1.00 0.00 C ATOM 1375 C GLU A 86 4.590 -9.044 7.745 1.00 0.00 C ATOM 1376 O GLU A 86 3.902 -8.069 7.445 1.00 0.00 O ATOM 1377 CB GLU A 86 7.092 -9.055 7.730 1.00 0.00 C ATOM 1378 CG GLU A 86 8.394 -8.832 8.482 1.00 0.00 C ATOM 1379 CD GLU A 86 8.766 -7.365 8.581 1.00 0.00 C ATOM 1380 OE1 GLU A 86 9.000 -6.741 7.526 1.00 0.00 O ATOM 1381 OE2 GLU A 86 8.823 -6.843 9.714 1.00 0.00 O ATOM 0 H GLU A 86 6.683 -10.437 9.730 1.00 0.00 H new ATOM 0 HA GLU A 86 5.846 -7.881 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.094 -10.060 7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.041 -8.357 6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.306 -9.249 9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.196 -9.374 7.981 1.00 0.00 H new ATOM 1388 N ARG A 87 4.301 -10.282 7.357 1.00 0.00 N ATOM 1389 CA ARG A 87 3.131 -10.571 6.536 1.00 0.00 C ATOM 1390 C ARG A 87 1.897 -9.854 7.076 1.00 0.00 C ATOM 1391 O ARG A 87 1.148 -9.234 6.323 1.00 0.00 O ATOM 1392 CB ARG A 87 2.877 -12.079 6.487 1.00 0.00 C ATOM 1393 CG ARG A 87 1.594 -12.456 5.765 1.00 0.00 C ATOM 1394 CD ARG A 87 0.389 -12.374 6.689 1.00 0.00 C ATOM 1395 NE ARG A 87 -0.648 -13.335 6.323 1.00 0.00 N ATOM 1396 CZ ARG A 87 -0.647 -14.604 6.715 1.00 0.00 C ATOM 1397 NH1 ARG A 87 0.333 -15.063 7.482 1.00 0.00 N ATOM 1398 NH2 ARG A 87 -1.626 -15.416 6.341 1.00 0.00 N ATOM 0 H ARG A 87 4.860 -11.100 7.598 1.00 0.00 H new ATOM 0 HA ARG A 87 3.328 -10.209 5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.718 -12.565 5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.838 -12.466 7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.446 -11.792 4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.682 -13.468 5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.706 -12.557 7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.024 -11.366 6.658 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.416 -13.014 5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.088 -14.441 7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.332 -16.038 7.782 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.381 -15.066 5.751 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.624 -16.390 6.643 1.00 0.00 H new ATOM 1412 N ASN A 88 1.693 -9.943 8.387 1.00 0.00 N ATOM 1413 CA ASN A 88 0.550 -9.304 9.027 1.00 0.00 C ATOM 1414 C ASN A 88 0.761 -7.797 9.139 1.00 0.00 C ATOM 1415 O ASN A 88 -0.086 -7.009 8.718 1.00 0.00 O ATOM 1416 CB ASN A 88 0.317 -9.902 10.417 1.00 0.00 C ATOM 1417 CG ASN A 88 0.007 -11.385 10.363 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -0.923 -11.812 9.678 1.00 0.00 O ATOM 1419 ND2 ASN A 88 0.786 -12.179 11.089 1.00 0.00 N ATOM 0 H ASN A 88 2.305 -10.451 9.026 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.329 -9.485 8.408 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.202 -9.741 11.032 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.507 -9.379 10.901 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.625 -13.186 11.094 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.545 -11.782 11.642 1.00 0.00 H new ATOM 1426 N ASP A 89 1.896 -7.405 9.707 1.00 0.00 N ATOM 1427 CA ASP A 89 2.220 -5.993 9.873 1.00 0.00 C ATOM 1428 C ASP A 89 1.957 -5.220 8.584 1.00 0.00 C ATOM 1429 O ASP A 89 1.145 -4.295 8.558 1.00 0.00 O ATOM 1430 CB ASP A 89 3.682 -5.828 10.291 1.00 0.00 C ATOM 1431 CG ASP A 89 3.920 -4.552 11.073 1.00 0.00 C ATOM 1432 OD1 ASP A 89 3.662 -3.462 10.521 1.00 0.00 O ATOM 1433 OD2 ASP A 89 4.366 -4.642 12.236 1.00 0.00 O ATOM 0 H ASP A 89 2.607 -8.045 10.060 1.00 0.00 H new ATOM 0 HA ASP A 89 1.579 -5.589 10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.982 -6.683 10.897 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.313 -5.829 9.402 1.00 0.00 H new ATOM 1438 N TRP A 90 2.649 -5.605 7.518 1.00 0.00 N ATOM 1439 CA TRP A 90 2.491 -4.948 6.226 1.00 0.00 C ATOM 1440 C TRP A 90 1.020 -4.679 5.928 1.00 0.00 C ATOM 1441 O TRP A 90 0.623 -3.537 5.695 1.00 0.00 O ATOM 1442 CB TRP A 90 3.100 -5.806 5.116 1.00 0.00 C ATOM 1443 CG TRP A 90 4.575 -5.598 4.946 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.573 -6.429 5.368 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.216 -4.487 4.311 1.00 0.00 C ATOM 1446 NE1 TRP A 90 6.797 -5.901 5.033 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.605 -4.711 4.383 1.00 0.00 C ATOM 1448 CE3 TRP A 90 4.752 -3.326 3.686 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.531 -3.815 3.855 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 5.673 -2.438 3.163 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.049 -2.687 3.249 1.00 0.00 C ATOM 0 H TRP A 90 3.325 -6.369 7.523 1.00 0.00 H new ATOM 0 HA TRP A 90 3.015 -3.993 6.266 1.00 0.00 H new ATOM 0 HB2 TRP A 90 2.911 -6.857 5.334 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.598 -5.581 4.175 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.423 -7.363 5.888 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.702 -6.326 5.236 1.00 0.00 H new ATOM 0 HE3 TRP A 90 3.693 -3.126 3.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.592 -4.004 3.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.326 -1.537 2.680 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.743 -1.974 2.829 1.00 0.00 H new ATOM 1462 N ILE A 91 0.216 -5.737 5.937 1.00 0.00 N ATOM 1463 CA ILE A 91 -1.211 -5.614 5.669 1.00 0.00 C ATOM 1464 C ILE A 91 -1.843 -4.535 6.542 1.00 0.00 C ATOM 1465 O ILE A 91 -2.357 -3.536 6.038 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.946 -6.946 5.907 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.404 -8.028 4.970 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.444 -6.768 5.708 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -2.023 -9.389 5.196 1.00 0.00 C ATOM 0 H ILE A 91 0.529 -6.689 6.127 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.312 -5.335 4.620 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.771 -7.261 6.936 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.580 -7.725 3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.324 -8.103 5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.949 -7.718 5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.819 -6.025 6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.638 -6.433 4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.592 -10.106 4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.825 -9.714 6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.100 -9.330 5.037 1.00 0.00 H new ATOM 1481 N SER A 92 -1.800 -4.742 7.854 1.00 0.00 N ATOM 1482 CA SER A 92 -2.370 -3.788 8.798 1.00 0.00 C ATOM 1483 C SER A 92 -2.024 -2.357 8.399 1.00 0.00 C ATOM 1484 O SER A 92 -2.909 -1.516 8.232 1.00 0.00 O ATOM 1485 CB SER A 92 -1.862 -4.072 10.213 1.00 0.00 C ATOM 1486 OG SER A 92 -2.483 -3.219 11.159 1.00 0.00 O ATOM 0 H SER A 92 -1.376 -5.562 8.288 1.00 0.00 H new ATOM 0 HA SER A 92 -3.454 -3.900 8.780 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.060 -5.112 10.472 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.781 -3.935 10.249 1.00 0.00 H new ATOM 0 HG SER A 92 -2.143 -3.422 12.055 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.732 -2.087 8.249 1.00 0.00 N ATOM 1493 CA ILE A 93 -0.268 -0.759 7.869 1.00 0.00 C ATOM 1494 C ILE A 93 -1.117 -0.182 6.741 1.00 0.00 C ATOM 1495 O ILE A 93 -1.742 0.868 6.894 1.00 0.00 O ATOM 1496 CB ILE A 93 1.207 -0.782 7.426 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.098 -1.268 8.571 1.00 0.00 C ATOM 1498 CG2 ILE A 93 1.642 0.599 6.958 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.389 -1.904 8.104 1.00 0.00 C ATOM 0 H ILE A 93 0.012 -2.771 8.385 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.363 -0.127 8.752 1.00 0.00 H new ATOM 0 HB ILE A 93 1.309 -1.475 6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.332 -0.425 9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.543 -1.989 9.171 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.687 0.566 6.648 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.024 0.909 6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.528 1.312 7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.970 -2.225 8.969 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.164 -2.767 7.478 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.965 -1.179 7.529 1.00 0.00 H new ATOM 1511 N LEU A 94 -1.136 -0.876 5.608 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.910 -0.434 4.453 1.00 0.00 C ATOM 1513 C LEU A 94 -3.327 -0.047 4.864 1.00 0.00 C ATOM 1514 O LEU A 94 -3.767 1.080 4.629 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.956 -1.536 3.394 1.00 0.00 C ATOM 1516 CG LEU A 94 -0.604 -2.027 2.875 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.760 -3.352 2.147 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.026 -0.985 1.962 1.00 0.00 C ATOM 0 H LEU A 94 -0.624 -1.747 5.465 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.421 0.445 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.494 -2.388 3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.538 -1.173 2.547 1.00 0.00 H new ATOM 0 HG LEU A 94 0.057 -2.182 3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.213 -3.685 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.167 -4.097 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.437 -3.226 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.988 -1.351 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.633 -0.799 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.175 -0.058 2.516 1.00 0.00 H new ATOM 1530 N LEU A 95 -4.036 -0.986 5.479 1.00 0.00 N ATOM 1531 CA LEU A 95 -5.404 -0.743 5.925 1.00 0.00 C ATOM 1532 C LEU A 95 -5.489 0.539 6.747 1.00 0.00 C ATOM 1533 O LEU A 95 -6.359 1.378 6.517 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.910 -1.927 6.752 1.00 0.00 C ATOM 1535 CG LEU A 95 -6.184 -3.217 5.979 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -6.329 -4.391 6.934 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -7.430 -3.070 5.119 1.00 0.00 C ATOM 0 H LEU A 95 -3.687 -1.923 5.681 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.033 -0.629 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.176 -2.142 7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.829 -1.627 7.255 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.335 -3.411 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.524 -5.300 6.366 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.409 -4.511 7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.159 -4.205 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.609 -3.998 4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.287 -2.850 5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.288 -2.256 4.408 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.578 0.684 7.704 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.550 1.865 8.559 1.00 0.00 C ATOM 1551 C ASN A 96 -4.393 3.135 7.727 1.00 0.00 C ATOM 1552 O ASN A 96 -5.017 4.157 8.012 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.407 1.760 9.571 1.00 0.00 C ATOM 1554 CG ASN A 96 -3.604 2.677 10.762 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -4.729 2.897 11.211 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -2.507 3.217 11.281 1.00 0.00 N ATOM 0 H ASN A 96 -3.850 -0.001 7.907 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.498 1.918 9.095 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.326 0.730 9.918 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.466 2.005 9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.577 3.842 12.084 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.595 3.007 10.876 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.555 3.062 6.698 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.318 4.204 5.824 1.00 0.00 C ATOM 1565 C ALA A 97 -4.605 4.644 5.134 1.00 0.00 C ATOM 1566 O ALA A 97 -5.030 5.793 5.264 1.00 0.00 O ATOM 1567 CB ALA A 97 -2.253 3.866 4.791 1.00 0.00 C ATOM 0 H ALA A 97 -3.029 2.224 6.449 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.964 5.032 6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.086 4.728 4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.323 3.607 5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.585 3.020 4.189 1.00 0.00 H new ATOM 1573 N LEU A 98 -5.222 3.724 4.401 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.462 4.017 3.689 1.00 0.00 C ATOM 1575 C LEU A 98 -7.370 4.914 4.525 1.00 0.00 C ATOM 1576 O LEU A 98 -7.917 5.898 4.027 1.00 0.00 O ATOM 1577 CB LEU A 98 -7.191 2.719 3.338 1.00 0.00 C ATOM 1578 CG LEU A 98 -6.368 1.667 2.594 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -7.148 0.367 2.472 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -5.965 2.181 1.219 1.00 0.00 C ATOM 0 H LEU A 98 -4.884 2.769 4.284 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.208 4.544 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.563 2.274 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.061 2.967 2.730 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.462 1.470 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.546 -0.370 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.386 -0.009 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.072 0.547 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.380 1.420 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.859 2.407 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.367 3.085 1.330 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.524 4.568 5.798 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.363 5.343 6.706 1.00 0.00 C ATOM 1594 C LYS A 99 -7.989 6.821 6.663 1.00 0.00 C ATOM 1595 O LYS A 99 -8.850 7.684 6.493 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.229 4.813 8.135 1.00 0.00 C ATOM 1597 CG LYS A 99 -8.774 3.407 8.316 1.00 0.00 C ATOM 1598 CD LYS A 99 -10.269 3.419 8.588 1.00 0.00 C ATOM 1599 CE LYS A 99 -10.568 3.753 10.041 1.00 0.00 C ATOM 1600 NZ LYS A 99 -11.999 4.111 10.245 1.00 0.00 N ATOM 0 H LYS A 99 -7.079 3.756 6.225 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.399 5.239 6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.177 4.826 8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.752 5.487 8.814 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.571 2.819 7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.257 2.919 9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.752 4.149 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.692 2.445 8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.314 2.899 10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.937 4.583 10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.162 4.332 11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.235 4.941 9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.601 3.310 9.965 1.00 0.00 H new ATOM 1614 N SER A 100 -6.700 7.106 6.818 1.00 0.00 N ATOM 1615 CA SER A 100 -6.213 8.480 6.799 1.00 0.00 C ATOM 1616 C SER A 100 -6.876 9.276 5.679 1.00 0.00 C ATOM 1617 O SER A 100 -7.328 10.402 5.888 1.00 0.00 O ATOM 1618 CB SER A 100 -4.693 8.503 6.626 1.00 0.00 C ATOM 1619 OG SER A 100 -4.223 9.824 6.419 1.00 0.00 O ATOM 0 H SER A 100 -5.974 6.403 6.958 1.00 0.00 H new ATOM 0 HA SER A 100 -6.470 8.943 7.752 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.217 8.079 7.510 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.411 7.876 5.780 1.00 0.00 H new ATOM 0 HG SER A 100 -3.249 9.812 6.313 1.00 0.00 H new