USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 Set 1.1: A 55 THR OG1 : rot 119:sc= 0.613 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.575 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.54 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.55 K(o=1.1,f=0.04) USER MOD Set 3.1: A 7 THR OG1 : rot 170:sc= -0.0238 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0054 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -156:sc= 0.325 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 170:sc= 0.307 USER MOD Single : A 1 MET CE :methyl 133:sc=-0.00439 (180deg=-0.377) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.26 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 1.11 (180deg=0.368) USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.0537 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 140:sc= 0.93 (180deg=0.743) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00629) USER MOD Single : A 31 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.046) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0712 X(o=-0.071,f=-0.52) USER MOD Single : A 41 GLN : amide:sc= 1.42 K(o=1.4,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.537 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.767 -6.858 -5.038 1.00 9.67 N ATOM 2 CA MET A 1 11.469 -6.970 -3.569 1.00 10.38 C ATOM 3 C MET A 1 10.254 -7.777 -3.299 1.00 9.62 C ATOM 4 O MET A 1 9.348 -7.836 -4.146 1.00 9.62 O ATOM 5 CB MET A 1 11.462 -5.573 -2.957 1.00 13.77 C ATOM 6 CG MET A 1 11.515 -5.558 -1.402 1.00 16.29 C ATOM 7 SD MET A 1 12.065 -3.921 -0.760 1.00 17.17 S ATOM 8 CE MET A 1 10.527 -3.014 -1.147 1.00 16.11 C ATOM 0 H1 MET A 1 12.755 -6.563 -5.170 1.00 9.67 H new ATOM 0 H2 MET A 1 11.617 -7.781 -5.494 1.00 9.67 H new ATOM 0 H3 MET A 1 11.135 -6.153 -5.468 1.00 9.67 H new ATOM 0 HA MET A 1 12.258 -7.534 -3.072 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.314 -5.015 -3.344 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.563 -5.050 -3.284 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.529 -5.795 -1.001 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.196 -6.334 -1.053 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.227 -2.421 -0.283 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.698 -2.354 -1.998 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.737 -3.724 -1.391 1.00 16.11 H new ATOM 20 N GLN A 2 10.071 -8.305 -2.111 1.00 9.27 N ATOM 21 CA GLN A 2 8.818 -8.847 -1.566 1.00 9.07 C ATOM 22 C GLN A 2 8.334 -8.277 -0.274 1.00 8.72 C ATOM 23 O GLN A 2 9.155 -8.103 0.606 1.00 8.22 O ATOM 24 CB GLN A 2 9.116 -10.328 -1.289 1.00 14.46 C ATOM 25 CG GLN A 2 7.916 -11.291 -1.004 1.00 17.01 C ATOM 26 CD GLN A 2 8.402 -12.723 -0.725 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.409 -13.147 0.454 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.540 -13.523 -1.801 1.00 19.49 N ATOM 0 H GLN A 2 10.838 -8.379 -1.443 1.00 9.27 H new ATOM 0 HA GLN A 2 8.040 -8.617 -2.294 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.661 -10.722 -2.147 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.790 -10.376 -0.434 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.348 -10.924 -0.149 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.239 -11.295 -1.858 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.527 -13.123 -2.739 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.658 -14.529 -1.677 1.00 19.49 H new ATOM 37 N ILE A 3 7.030 -7.964 -0.111 1.00 5.87 N ATOM 38 CA ILE A 3 6.596 -7.268 1.071 1.00 5.07 C ATOM 39 C ILE A 3 5.187 -7.663 1.386 1.00 4.01 C ATOM 40 O ILE A 3 4.433 -8.123 0.547 1.00 4.61 O ATOM 41 CB ILE A 3 6.677 -5.745 0.991 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.731 -5.064 -0.029 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.140 -5.190 0.843 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.791 -3.530 -0.062 1.00 10.83 C ATOM 0 H ILE A 3 6.291 -8.186 -0.779 1.00 5.87 H new ATOM 0 HA ILE A 3 7.291 -7.564 1.857 1.00 5.07 H new ATOM 0 HB ILE A 3 6.302 -5.458 1.974 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.966 -5.441 -1.024 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.707 -5.366 0.193 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.113 -4.101 0.793 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.735 -5.499 1.702 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.588 -5.584 -0.069 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.091 -3.154 -0.809 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.523 -3.134 0.918 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.801 -3.211 -0.319 1.00 10.83 H new ATOM 56 N PHE A 4 4.675 -7.321 2.605 1.00 4.55 N ATOM 57 CA PHE A 4 3.390 -7.824 2.964 1.00 4.68 C ATOM 58 C PHE A 4 2.474 -6.702 3.337 1.00 5.30 C ATOM 59 O PHE A 4 2.802 -5.747 3.977 1.00 5.58 O ATOM 60 CB PHE A 4 3.546 -8.686 4.208 1.00 4.83 C ATOM 61 CG PHE A 4 4.436 -9.949 3.936 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.974 -11.062 3.242 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.730 -10.027 4.516 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.771 -12.203 3.016 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.573 -11.134 4.306 1.00 10.61 C ATOM 66 CZ PHE A 4 6.078 -12.189 3.490 1.00 8.90 C ATOM 0 H PHE A 4 5.133 -6.728 3.297 1.00 4.55 H new ATOM 0 HA PHE A 4 2.984 -8.380 2.119 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.991 -8.093 5.007 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.563 -9.003 4.556 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.964 -11.052 2.861 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.077 -9.214 5.136 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.378 -13.061 2.491 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.558 -11.181 4.747 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.738 -13.004 3.231 1.00 8.90 H new ATOM 76 N VAL A 5 1.166 -6.777 2.909 1.00 4.44 N ATOM 77 CA VAL A 5 0.165 -5.874 3.306 1.00 3.87 C ATOM 78 C VAL A 5 -0.784 -6.503 4.303 1.00 4.93 C ATOM 79 O VAL A 5 -1.385 -7.558 4.101 1.00 6.84 O ATOM 80 CB VAL A 5 -0.590 -5.234 2.115 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.969 -4.687 2.576 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.344 -4.123 1.600 1.00 9.13 C ATOM 0 H VAL A 5 0.832 -7.498 2.270 1.00 4.44 H new ATOM 0 HA VAL A 5 0.678 -5.052 3.806 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.813 -5.949 1.323 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.486 -4.241 1.726 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.569 -5.504 2.977 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.821 -3.932 3.348 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.122 -3.620 0.752 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.524 -3.401 2.396 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.292 -4.561 1.286 1.00 9.13 H new ATOM 92 N LYS A 6 -0.939 -5.833 5.500 1.00 6.04 N ATOM 93 CA LYS A 6 -1.741 -6.271 6.624 1.00 6.12 C ATOM 94 C LYS A 6 -3.096 -5.573 6.455 1.00 6.57 C ATOM 95 O LYS A 6 -3.133 -4.328 6.498 1.00 5.76 O ATOM 96 CB LYS A 6 -1.126 -5.827 7.993 1.00 7.45 C ATOM 97 CG LYS A 6 -0.166 -6.909 8.548 1.00 11.12 C ATOM 98 CD LYS A 6 -0.908 -7.998 9.320 1.00 14.54 C ATOM 99 CE LYS A 6 0.032 -8.964 10.026 1.00 18.84 C ATOM 100 NZ LYS A 6 0.568 -9.968 9.111 1.00 20.55 N ATOM 0 H LYS A 6 -0.476 -4.942 5.679 1.00 6.04 H new ATOM 0 HA LYS A 6 -1.807 -7.359 6.636 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.587 -4.888 7.866 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.925 -5.641 8.711 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.384 -7.362 7.723 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.569 -6.439 9.202 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.564 -7.533 10.056 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.545 -8.555 8.633 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.854 -8.407 10.476 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.500 -9.460 10.838 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.852 -10.812 9.649 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.161 -10.229 8.416 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.395 -9.579 8.615 1.00 20.55 H new ATOM 114 N THR A 7 -4.202 -6.331 6.305 1.00 7.41 N ATOM 115 CA THR A 7 -5.473 -5.671 6.029 1.00 7.48 C ATOM 116 C THR A 7 -6.260 -5.647 7.324 1.00 8.75 C ATOM 117 O THR A 7 -5.989 -6.278 8.355 1.00 8.58 O ATOM 118 CB THR A 7 -6.320 -6.303 4.893 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.862 -7.552 5.306 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.429 -6.505 3.718 1.00 9.17 C ATOM 0 H THR A 7 -4.235 -7.349 6.368 1.00 7.41 H new ATOM 0 HA THR A 7 -5.244 -4.671 5.660 1.00 7.48 H new ATOM 0 HB THR A 7 -7.150 -5.644 4.640 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.518 -7.858 4.646 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.998 -6.949 2.902 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.025 -5.544 3.398 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.610 -7.170 3.993 1.00 9.17 H new ATOM 128 N LEU A 8 -7.323 -4.853 7.395 1.00 9.84 N ATOM 129 CA LEU A 8 -8.153 -4.745 8.563 1.00 14.15 C ATOM 130 C LEU A 8 -8.824 -5.970 9.014 1.00 17.37 C ATOM 131 O LEU A 8 -8.974 -6.233 10.223 1.00 17.01 O ATOM 132 CB LEU A 8 -9.221 -3.636 8.370 1.00 16.63 C ATOM 133 CG LEU A 8 -8.666 -2.235 8.027 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.770 -1.347 7.471 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.092 -1.586 9.326 1.00 18.59 C ATOM 0 H LEU A 8 -7.627 -4.261 6.622 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.442 -4.501 9.352 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.901 -3.944 7.575 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.812 -3.561 9.283 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.883 -2.336 7.275 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.362 -0.364 7.235 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.178 -1.797 6.566 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.561 -1.242 8.213 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.698 -0.597 9.095 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.885 -1.496 10.069 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.292 -2.212 9.723 1.00 18.59 H new ATOM 147 N THR A 9 -9.192 -6.854 8.065 1.00 18.33 N ATOM 148 CA THR A 9 -10.076 -8.020 8.317 1.00 19.24 C ATOM 149 C THR A 9 -9.213 -9.265 8.487 1.00 19.48 C ATOM 150 O THR A 9 -9.639 -10.380 8.451 1.00 23.14 O ATOM 151 CB THR A 9 -11.115 -8.156 7.245 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.463 -8.109 5.983 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.054 -6.948 7.329 1.00 19.70 C ATOM 0 H THR A 9 -8.885 -6.782 7.095 1.00 18.33 H new ATOM 0 HA THR A 9 -10.636 -7.874 9.241 1.00 19.24 H new ATOM 0 HB THR A 9 -11.666 -9.089 7.366 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.127 -8.198 5.268 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.819 -7.027 6.556 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.530 -6.924 8.309 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.482 -6.032 7.181 1.00 19.70 H new ATOM 161 N GLY A 10 -7.881 -9.040 8.776 1.00 19.43 N ATOM 162 CA GLY A 10 -6.924 -10.102 9.102 1.00 18.74 C ATOM 163 C GLY A 10 -6.118 -10.693 7.999 1.00 17.62 C ATOM 164 O GLY A 10 -5.199 -11.471 8.296 1.00 19.74 O ATOM 0 H GLY A 10 -7.467 -8.108 8.782 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.231 -9.707 9.845 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.476 -10.911 9.580 1.00 18.74 H new ATOM 168 N LYS A 11 -6.357 -10.391 6.689 1.00 13.56 N ATOM 169 CA LYS A 11 -5.610 -10.934 5.632 1.00 11.91 C ATOM 170 C LYS A 11 -4.133 -10.368 5.572 1.00 10.18 C ATOM 171 O LYS A 11 -3.877 -9.220 5.925 1.00 9.10 O ATOM 172 CB LYS A 11 -6.322 -10.669 4.319 1.00 13.43 C ATOM 173 CG LYS A 11 -5.822 -11.563 3.156 1.00 16.69 C ATOM 174 CD LYS A 11 -6.792 -11.514 2.002 1.00 17.92 C ATOM 175 CE LYS A 11 -6.584 -12.412 0.757 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.738 -12.418 -0.266 1.00 21.93 N ATOM 0 H LYS A 11 -7.092 -9.752 6.387 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.530 -12.007 5.808 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.392 -10.828 4.456 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.188 -9.622 4.046 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.838 -11.227 2.827 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.709 -12.591 3.501 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.779 -11.744 2.403 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.823 -10.482 1.652 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.675 -12.091 0.249 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.417 -13.435 1.094 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.393 -12.786 -1.176 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.508 -13.024 0.083 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.092 -11.449 -0.396 1.00 21.93 H new ATOM 190 N THR A 12 -3.207 -11.193 5.129 1.00 9.63 N ATOM 191 CA THR A 12 -1.861 -10.683 4.789 1.00 9.85 C ATOM 192 C THR A 12 -1.698 -10.787 3.312 1.00 11.66 C ATOM 193 O THR A 12 -1.799 -11.873 2.734 1.00 12.33 O ATOM 194 CB THR A 12 -0.742 -11.472 5.421 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.913 -11.308 6.802 1.00 10.91 O ATOM 196 CG2 THR A 12 0.615 -10.796 5.115 1.00 9.63 C ATOM 0 H THR A 12 -3.338 -12.195 4.993 1.00 9.63 H new ATOM 0 HA THR A 12 -1.797 -9.661 5.162 1.00 9.85 H new ATOM 0 HB THR A 12 -0.755 -12.503 5.068 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.319 -11.923 7.281 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.419 -11.371 5.574 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.767 -10.757 4.036 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.616 -9.783 5.519 1.00 9.63 H new ATOM 204 N ILE A 13 -1.527 -9.687 2.504 1.00 10.42 N ATOM 205 CA ILE A 13 -1.492 -9.795 1.048 1.00 11.84 C ATOM 206 C ILE A 13 0.036 -9.732 0.788 1.00 10.55 C ATOM 207 O ILE A 13 0.773 -8.752 0.953 1.00 11.92 O ATOM 208 CB ILE A 13 -2.142 -8.631 0.331 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.682 -8.459 0.700 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.030 -8.874 -1.178 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.343 -7.186 0.084 1.00 16.46 C ATOM 0 H ILE A 13 -1.415 -8.736 2.856 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.023 -10.678 0.693 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.627 -7.722 0.641 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.227 -9.340 0.360 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.783 -8.420 1.785 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.493 -8.046 -1.715 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.979 -8.946 -1.458 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.539 -9.803 -1.436 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.391 -7.140 0.381 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.825 -6.297 0.443 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.276 -7.231 -1.003 1.00 16.46 H new ATOM 223 N THR A 14 0.622 -10.851 0.265 1.00 9.39 N ATOM 224 CA THR A 14 1.977 -10.914 -0.240 1.00 9.63 C ATOM 225 C THR A 14 2.023 -10.130 -1.548 1.00 11.20 C ATOM 226 O THR A 14 1.165 -10.417 -2.363 1.00 11.63 O ATOM 227 CB THR A 14 2.528 -12.261 -0.482 1.00 10.38 C ATOM 228 OG1 THR A 14 2.251 -13.057 0.642 1.00 16.30 O ATOM 229 CG2 THR A 14 4.047 -12.184 -0.686 1.00 11.66 C ATOM 0 H THR A 14 0.130 -11.742 0.194 1.00 9.39 H new ATOM 0 HA THR A 14 2.602 -10.497 0.549 1.00 9.63 H new ATOM 0 HB THR A 14 2.076 -12.688 -1.377 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.769 -12.733 1.408 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.441 -13.184 -0.864 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.267 -11.549 -1.544 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.513 -11.763 0.205 1.00 11.66 H new ATOM 237 N LEU A 15 2.923 -9.143 -1.682 1.00 8.29 N ATOM 238 CA LEU A 15 2.911 -8.265 -2.908 1.00 9.03 C ATOM 239 C LEU A 15 4.336 -8.242 -3.324 1.00 8.59 C ATOM 240 O LEU A 15 5.261 -8.123 -2.531 1.00 7.79 O ATOM 241 CB LEU A 15 2.550 -6.805 -2.594 1.00 11.08 C ATOM 242 CG LEU A 15 1.090 -6.588 -2.122 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.023 -5.126 -1.643 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.143 -6.792 -3.258 1.00 15.27 C ATOM 0 H LEU A 15 3.648 -8.922 -0.999 1.00 8.29 H new ATOM 0 HA LEU A 15 2.190 -8.642 -3.633 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.226 -6.435 -1.823 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.723 -6.202 -3.485 1.00 11.08 H new ATOM 0 HG LEU A 15 0.814 -7.290 -1.335 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.015 -4.903 -1.294 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.730 -4.978 -0.827 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.277 -4.461 -2.468 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.879 -6.636 -2.912 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.369 -6.081 -4.053 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.246 -7.808 -3.640 1.00 15.27 H new ATOM 256 N GLU A 16 4.526 -8.273 -4.650 1.00 11.04 N ATOM 257 CA GLU A 16 5.813 -8.299 -5.298 1.00 11.50 C ATOM 258 C GLU A 16 6.112 -6.942 -5.965 1.00 10.13 C ATOM 259 O GLU A 16 5.391 -6.433 -6.815 1.00 9.83 O ATOM 260 CB GLU A 16 5.902 -9.417 -6.336 1.00 17.22 C ATOM 261 CG GLU A 16 7.285 -9.650 -7.071 1.00 23.33 C ATOM 262 CD GLU A 16 7.148 -10.785 -8.033 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.166 -11.974 -7.631 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.002 -10.458 -9.269 1.00 28.90 O ATOM 0 H GLU A 16 3.749 -8.281 -5.311 1.00 11.04 H new ATOM 0 HA GLU A 16 6.559 -8.493 -4.527 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.625 -10.350 -5.845 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.148 -9.223 -7.099 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.586 -8.745 -7.599 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.065 -9.868 -6.342 1.00 23.33 H new ATOM 271 N VAL A 17 7.186 -6.280 -5.531 1.00 8.99 N ATOM 272 CA VAL A 17 7.311 -4.818 -5.713 1.00 8.85 C ATOM 273 C VAL A 17 8.774 -4.623 -5.936 1.00 8.04 C ATOM 274 O VAL A 17 9.633 -5.471 -5.745 1.00 8.99 O ATOM 275 CB VAL A 17 6.810 -4.014 -4.606 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.249 -4.091 -4.401 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.677 -4.254 -3.294 1.00 10.54 C ATOM 0 H VAL A 17 7.976 -6.718 -5.057 1.00 8.99 H new ATOM 0 HA VAL A 17 6.689 -4.473 -6.539 1.00 8.85 H new ATOM 0 HB VAL A 17 6.951 -2.968 -4.877 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.961 -3.464 -3.557 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.746 -3.740 -5.302 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.959 -5.123 -4.202 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.284 -3.643 -2.481 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.629 -5.306 -3.013 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.713 -3.977 -3.487 1.00 10.54 H new ATOM 287 N GLU A 18 9.052 -3.453 -6.427 1.00 7.29 N ATOM 288 CA GLU A 18 10.359 -2.829 -6.572 1.00 7.08 C ATOM 289 C GLU A 18 10.406 -1.612 -5.682 1.00 6.45 C ATOM 290 O GLU A 18 9.413 -0.940 -5.524 1.00 5.28 O ATOM 291 CB GLU A 18 10.913 -2.557 -7.971 1.00 10.28 C ATOM 292 CG GLU A 18 10.707 -3.664 -8.962 1.00 12.65 C ATOM 293 CD GLU A 18 11.241 -3.230 -10.322 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.420 -2.868 -10.491 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.402 -3.142 -11.264 1.00 18.17 O ATOM 0 H GLU A 18 8.310 -2.844 -6.772 1.00 7.29 H new ATOM 0 HA GLU A 18 11.061 -3.602 -6.259 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.448 -1.651 -8.359 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.981 -2.357 -7.890 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.220 -4.566 -8.628 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.647 -3.909 -9.036 1.00 12.65 H new ATOM 302 N PRO A 19 11.597 -1.183 -5.146 1.00 7.24 N ATOM 303 CA PRO A 19 11.781 0.031 -4.358 1.00 7.07 C ATOM 304 C PRO A 19 11.294 1.261 -5.086 1.00 6.65 C ATOM 305 O PRO A 19 10.894 2.181 -4.460 1.00 6.37 O ATOM 306 CB PRO A 19 13.268 -0.045 -3.920 1.00 7.61 C ATOM 307 CG PRO A 19 13.643 -1.585 -3.898 1.00 8.16 C ATOM 308 CD PRO A 19 12.824 -2.020 -5.110 1.00 7.49 C ATOM 0 HA PRO A 19 11.165 0.111 -3.463 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.907 0.502 -4.614 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.408 0.404 -2.937 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.711 -1.764 -4.020 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.339 -2.084 -2.978 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.400 -1.895 -6.027 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.565 -3.076 -5.038 1.00 7.49 H new ATOM 316 N SER A 20 11.391 1.372 -6.440 1.00 6.80 N ATOM 317 CA SER A 20 10.985 2.679 -7.041 1.00 6.28 C ATOM 318 C SER A 20 9.581 2.599 -7.555 1.00 8.45 C ATOM 319 O SER A 20 9.136 3.528 -8.258 1.00 7.26 O ATOM 320 CB SER A 20 11.845 3.181 -8.280 1.00 8.57 C ATOM 321 OG SER A 20 13.211 3.379 -7.844 1.00 11.13 O ATOM 0 H SER A 20 11.714 0.651 -7.085 1.00 6.80 H new ATOM 0 HA SER A 20 11.128 3.378 -6.217 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.808 2.450 -9.087 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.435 4.111 -8.673 1.00 8.57 H new ATOM 0 HG SER A 20 13.754 3.687 -8.599 1.00 11.13 H new ATOM 327 N ASP A 21 8.870 1.547 -7.203 1.00 7.50 N ATOM 328 CA ASP A 21 7.450 1.548 -7.423 1.00 7.70 C ATOM 329 C ASP A 21 6.723 2.477 -6.455 1.00 7.08 C ATOM 330 O ASP A 21 7.017 2.572 -5.268 1.00 8.11 O ATOM 331 CB ASP A 21 6.699 0.189 -7.250 1.00 11.00 C ATOM 332 CG ASP A 21 6.969 -0.778 -8.374 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.335 -0.412 -9.521 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.844 -2.007 -8.127 1.00 18.03 O ATOM 0 H ASP A 21 9.247 0.702 -6.774 1.00 7.50 H new ATOM 0 HA ASP A 21 7.414 1.853 -8.469 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.997 -0.267 -6.306 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.627 0.377 -7.189 1.00 11.00 H new ATOM 339 N THR A 22 5.759 3.230 -6.994 1.00 5.37 N ATOM 340 CA THR A 22 4.869 4.170 -6.195 1.00 6.01 C ATOM 341 C THR A 22 3.736 3.413 -5.461 1.00 8.01 C ATOM 342 O THR A 22 3.242 2.340 -5.816 1.00 8.11 O ATOM 343 CB THR A 22 4.176 5.228 -7.074 1.00 8.92 C ATOM 344 OG1 THR A 22 3.372 4.679 -8.140 1.00 10.22 O ATOM 345 CG2 THR A 22 5.273 6.173 -7.745 1.00 9.65 C ATOM 0 H THR A 22 5.550 3.227 -7.992 1.00 5.37 H new ATOM 0 HA THR A 22 5.548 4.648 -5.488 1.00 6.01 H new ATOM 0 HB THR A 22 3.512 5.771 -6.401 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.964 5.409 -8.652 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.779 6.920 -8.366 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.849 6.672 -6.966 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.942 5.573 -8.362 1.00 9.65 H new ATOM 353 N ILE A 23 3.282 4.082 -4.377 1.00 8.32 N ATOM 354 CA ILE A 23 2.151 3.829 -3.500 1.00 9.92 C ATOM 355 C ILE A 23 0.907 3.756 -4.369 1.00 10.01 C ATOM 356 O ILE A 23 0.152 2.738 -4.250 1.00 8.71 O ATOM 357 CB ILE A 23 2.009 4.807 -2.338 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.373 4.946 -1.570 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.946 4.486 -1.315 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.783 3.708 -0.820 1.00 12.30 C ATOM 0 H ILE A 23 3.777 4.920 -4.070 1.00 8.32 H new ATOM 0 HA ILE A 23 2.316 2.881 -2.989 1.00 9.92 H new ATOM 0 HB ILE A 23 1.699 5.731 -2.826 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.156 5.201 -2.284 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.299 5.776 -0.867 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.943 5.253 -0.541 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.029 4.457 -1.801 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.156 3.516 -0.864 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.734 3.885 -0.317 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.022 3.462 -0.080 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.891 2.878 -1.519 1.00 12.30 H new ATOM 372 N GLU A 24 0.731 4.580 -5.433 1.00 9.54 N ATOM 373 CA GLU A 24 -0.301 4.262 -6.409 1.00 11.81 C ATOM 374 C GLU A 24 -0.171 2.856 -7.074 1.00 11.14 C ATOM 375 O GLU A 24 -1.067 2.046 -7.068 1.00 10.62 O ATOM 376 CB GLU A 24 -0.426 5.414 -7.494 1.00 19.24 C ATOM 377 CG GLU A 24 -1.856 5.423 -8.213 1.00 27.76 C ATOM 378 CD GLU A 24 -2.076 6.702 -9.061 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.379 7.746 -8.428 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.042 6.599 -10.306 1.00 34.80 O ATOM 0 H GLU A 24 1.269 5.426 -5.619 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.228 4.206 -5.839 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.257 6.379 -7.016 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.354 5.288 -8.245 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.945 4.545 -8.853 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.640 5.349 -7.460 1.00 27.76 H new ATOM 387 N ASN A 25 1.000 2.482 -7.574 1.00 9.43 N ATOM 388 CA ASN A 25 1.313 1.227 -8.157 1.00 10.96 C ATOM 389 C ASN A 25 1.066 0.089 -7.175 1.00 9.68 C ATOM 390 O ASN A 25 0.613 -0.994 -7.571 1.00 9.33 O ATOM 391 CB ASN A 25 2.751 1.141 -8.778 1.00 16.78 C ATOM 392 CG ASN A 25 2.746 1.564 -10.244 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.754 0.728 -11.191 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.705 2.902 -10.424 1.00 24.70 N ATOM 0 H ASN A 25 1.802 3.112 -7.572 1.00 9.43 H new ATOM 0 HA ASN A 25 0.631 1.121 -9.000 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.432 1.780 -8.215 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.126 0.121 -8.692 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.678 3.289 -11.367 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.701 3.525 -9.617 1.00 24.70 H new ATOM 401 N VAL A 26 1.379 0.274 -5.871 1.00 6.52 N ATOM 402 CA VAL A 26 1.123 -0.679 -4.830 1.00 5.53 C ATOM 403 C VAL A 26 -0.342 -0.885 -4.607 1.00 4.42 C ATOM 404 O VAL A 26 -0.872 -1.961 -4.550 1.00 3.40 O ATOM 405 CB VAL A 26 1.793 -0.275 -3.504 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.407 -1.333 -2.418 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.287 -0.192 -3.693 1.00 8.12 C ATOM 0 H VAL A 26 1.829 1.124 -5.532 1.00 6.52 H new ATOM 0 HA VAL A 26 1.558 -1.619 -5.169 1.00 5.53 H new ATOM 0 HB VAL A 26 1.450 0.707 -3.179 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.872 -1.066 -1.469 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.324 -1.353 -2.299 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.756 -2.318 -2.729 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.757 0.094 -2.752 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.668 -1.163 -4.009 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.517 0.553 -4.455 1.00 8.12 H new ATOM 417 N LYS A 27 -1.159 0.207 -4.549 1.00 2.64 N ATOM 418 CA LYS A 27 -2.589 0.106 -4.549 1.00 4.14 C ATOM 419 C LYS A 27 -3.165 -0.538 -5.824 1.00 5.58 C ATOM 420 O LYS A 27 -4.191 -1.208 -5.771 1.00 4.11 O ATOM 421 CB LYS A 27 -3.235 1.495 -4.408 1.00 3.97 C ATOM 422 CG LYS A 27 -2.942 2.119 -3.053 1.00 7.45 C ATOM 423 CD LYS A 27 -3.653 3.415 -2.689 1.00 9.02 C ATOM 424 CE LYS A 27 -3.345 4.624 -3.576 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.251 5.702 -3.238 1.00 15.47 N ATOM 0 H LYS A 27 -0.813 1.165 -4.502 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.824 -0.535 -3.699 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.865 2.150 -5.197 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.313 1.410 -4.543 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.182 1.381 -2.288 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.869 2.300 -2.995 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.728 3.236 -2.715 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.397 3.670 -1.661 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.312 4.942 -3.433 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.454 4.357 -4.627 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.735 6.605 -3.249 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.024 5.736 -3.933 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.645 5.540 -2.289 1.00 15.47 H new ATOM 439 N ALA A 28 -2.551 -0.312 -7.036 1.00 6.61 N ATOM 440 CA ALA A 28 -2.935 -0.929 -8.256 1.00 7.74 C ATOM 441 C ALA A 28 -2.606 -2.416 -8.239 1.00 9.17 C ATOM 442 O ALA A 28 -3.427 -3.172 -8.728 1.00 11.45 O ATOM 443 CB ALA A 28 -2.397 -0.110 -9.449 1.00 7.68 C ATOM 0 H ALA A 28 -1.763 0.327 -7.141 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.018 -0.914 -8.382 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.695 -0.588 -10.382 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.807 0.899 -9.412 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.309 -0.062 -9.397 1.00 7.68 H new ATOM 449 N LYS A 29 -1.463 -2.911 -7.643 1.00 8.96 N ATOM 450 CA LYS A 29 -1.316 -4.317 -7.468 1.00 7.90 C ATOM 451 C LYS A 29 -2.380 -4.957 -6.510 1.00 6.92 C ATOM 452 O LYS A 29 -2.957 -6.049 -6.729 1.00 6.87 O ATOM 453 CB LYS A 29 0.094 -4.434 -6.768 1.00 10.28 C ATOM 454 CG LYS A 29 1.222 -4.146 -7.802 1.00 14.94 C ATOM 455 CD LYS A 29 2.594 -4.364 -7.218 1.00 19.69 C ATOM 456 CE LYS A 29 3.688 -4.073 -8.209 1.00 22.63 C ATOM 457 NZ LYS A 29 3.793 -5.135 -9.235 1.00 24.98 N ATOM 0 H LYS A 29 -0.686 -2.344 -7.304 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.430 -4.834 -8.421 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.159 -3.728 -5.940 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.220 -5.432 -6.347 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.091 -4.792 -8.670 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.137 -3.118 -8.154 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.720 -3.726 -6.343 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.681 -5.395 -6.876 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.495 -3.116 -8.694 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.639 -3.978 -7.684 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.590 -4.926 -9.870 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.951 -6.052 -8.771 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.912 -5.174 -9.786 1.00 24.98 H new ATOM 471 N ILE A 30 -2.788 -4.213 -5.416 1.00 4.57 N ATOM 472 CA ILE A 30 -3.950 -4.633 -4.608 1.00 5.58 C ATOM 473 C ILE A 30 -5.221 -4.697 -5.379 1.00 7.26 C ATOM 474 O ILE A 30 -5.941 -5.648 -5.166 1.00 9.46 O ATOM 475 CB ILE A 30 -4.052 -3.998 -3.202 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.794 -4.273 -2.368 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.365 -4.416 -2.467 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.826 -3.384 -1.136 1.00 2.00 C ATOM 0 H ILE A 30 -2.335 -3.355 -5.101 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.738 -5.673 -4.359 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.109 -2.918 -3.334 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.755 -5.323 -2.076 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.899 -4.072 -2.956 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.396 -3.948 -1.483 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.227 -4.093 -3.050 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.389 -5.500 -2.354 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.938 -3.567 -0.532 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.847 -2.338 -1.442 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.717 -3.608 -0.549 1.00 2.00 H new ATOM 490 N GLN A 31 -5.542 -3.790 -6.335 1.00 7.06 N ATOM 491 CA GLN A 31 -6.640 -4.008 -7.269 1.00 8.67 C ATOM 492 C GLN A 31 -6.506 -5.288 -8.107 1.00 10.90 C ATOM 493 O GLN A 31 -7.451 -6.069 -8.140 1.00 9.63 O ATOM 494 CB GLN A 31 -6.619 -2.696 -8.179 1.00 9.12 C ATOM 495 CG GLN A 31 -7.771 -2.736 -9.209 1.00 10.76 C ATOM 496 CD GLN A 31 -7.774 -1.375 -9.999 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.703 -0.576 -9.952 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.654 -1.132 -10.706 1.00 14.76 N ATOM 0 H GLN A 31 -5.049 -2.907 -6.467 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.583 -4.160 -6.744 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.714 -1.809 -7.552 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.663 -2.620 -8.696 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.639 -3.573 -9.895 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.726 -2.885 -8.705 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.901 -1.820 -10.722 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.558 -0.260 -11.226 1.00 14.76 H new ATOM 507 N ASP A 32 -5.298 -5.615 -8.635 1.00 10.93 N ATOM 508 CA ASP A 32 -5.032 -6.855 -9.329 1.00 14.01 C ATOM 509 C ASP A 32 -5.321 -8.062 -8.518 1.00 14.04 C ATOM 510 O ASP A 32 -5.913 -9.005 -9.008 1.00 13.39 O ATOM 511 CB ASP A 32 -3.566 -6.957 -9.908 1.00 18.01 C ATOM 512 CG ASP A 32 -3.243 -5.954 -11.050 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.069 -5.359 -11.775 1.00 25.17 O ATOM 514 OD2 ASP A 32 -1.987 -5.776 -11.274 1.00 26.29 O ATOM 0 H ASP A 32 -4.485 -5.001 -8.578 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.729 -6.828 -10.167 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.858 -6.799 -9.095 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.407 -7.970 -10.278 1.00 18.01 H new ATOM 519 N LYS A 33 -5.054 -7.998 -7.208 1.00 14.22 N ATOM 520 CA LYS A 33 -5.259 -9.084 -6.282 1.00 14.00 C ATOM 521 C LYS A 33 -6.723 -9.138 -5.801 1.00 12.37 C ATOM 522 O LYS A 33 -7.336 -10.200 -5.837 1.00 12.17 O ATOM 523 CB LYS A 33 -4.303 -8.936 -5.051 1.00 18.62 C ATOM 524 CG LYS A 33 -2.837 -9.137 -5.417 1.00 24.00 C ATOM 525 CD LYS A 33 -2.429 -10.579 -5.492 1.00 27.61 C ATOM 526 CE LYS A 33 -0.951 -10.746 -5.331 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.514 -12.139 -5.787 1.00 30.06 N ATOM 0 H LYS A 33 -4.679 -7.159 -6.765 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.034 -10.014 -6.804 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.432 -7.946 -4.613 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.585 -9.661 -4.288 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.643 -8.663 -6.379 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.214 -8.630 -4.680 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.946 -11.144 -4.716 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.740 -10.996 -6.450 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.428 -9.986 -5.912 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.674 -10.595 -4.288 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.515 -12.236 -5.668 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.999 -12.860 -5.215 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.760 -12.269 -6.789 1.00 30.06 H new ATOM 541 N GLU A 34 -7.331 -8.004 -5.465 1.00 10.11 N ATOM 542 CA GLU A 34 -8.497 -8.001 -4.579 1.00 10.07 C ATOM 543 C GLU A 34 -9.712 -7.210 -5.135 1.00 9.32 C ATOM 544 O GLU A 34 -10.854 -7.378 -4.643 1.00 11.61 O ATOM 545 CB GLU A 34 -8.220 -7.449 -3.121 1.00 14.77 C ATOM 546 CG GLU A 34 -7.112 -8.084 -2.212 1.00 18.75 C ATOM 547 CD GLU A 34 -7.356 -9.475 -1.715 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.250 -9.721 -0.882 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.645 -10.397 -2.181 1.00 21.95 O ATOM 0 H GLU A 34 -7.041 -7.081 -5.788 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.731 -9.064 -4.526 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.982 -6.390 -3.221 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.159 -7.514 -2.572 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.175 -8.083 -2.769 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.970 -7.435 -1.348 1.00 18.75 H new ATOM 556 N GLY A 35 -9.491 -6.340 -6.126 1.00 7.22 N ATOM 557 CA GLY A 35 -10.606 -5.738 -6.852 1.00 6.29 C ATOM 558 C GLY A 35 -11.044 -4.415 -6.300 1.00 6.93 C ATOM 559 O GLY A 35 -12.127 -3.944 -6.597 1.00 7.41 O ATOM 0 H GLY A 35 -8.566 -6.043 -6.437 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.320 -5.609 -7.896 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.451 -6.426 -6.836 1.00 6.29 H new ATOM 563 N ILE A 36 -10.291 -3.769 -5.395 1.00 5.86 N ATOM 564 CA ILE A 36 -10.588 -2.560 -4.679 1.00 6.07 C ATOM 565 C ILE A 36 -9.901 -1.453 -5.470 1.00 6.36 C ATOM 566 O ILE A 36 -8.704 -1.590 -5.597 1.00 6.18 O ATOM 567 CB ILE A 36 -10.140 -2.596 -3.203 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.700 -3.811 -2.481 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.596 -1.320 -2.541 1.00 7.36 C ATOM 570 CD1 ILE A 36 -10.271 -4.025 -0.982 1.00 9.49 C ATOM 0 H ILE A 36 -9.374 -4.132 -5.136 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.664 -2.402 -4.610 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.054 -2.675 -3.155 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.788 -3.751 -2.515 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.412 -4.699 -3.044 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.290 -1.323 -1.495 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.146 -0.466 -3.048 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.682 -1.247 -2.601 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.744 -4.927 -0.594 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -9.188 -4.130 -0.925 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.584 -3.167 -0.388 1.00 9.49 H new ATOM 582 N PRO A 37 -10.529 -0.401 -5.988 1.00 8.65 N ATOM 583 CA PRO A 37 -9.911 0.741 -6.684 1.00 9.18 C ATOM 584 C PRO A 37 -8.851 1.465 -5.823 1.00 9.85 C ATOM 585 O PRO A 37 -9.165 1.669 -4.680 1.00 8.51 O ATOM 586 CB PRO A 37 -11.090 1.680 -6.890 1.00 11.42 C ATOM 587 CG PRO A 37 -12.283 0.729 -7.085 1.00 9.27 C ATOM 588 CD PRO A 37 -11.965 -0.326 -6.021 1.00 8.33 C ATOM 0 HA PRO A 37 -9.395 0.426 -7.591 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.236 2.334 -6.031 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.944 2.322 -7.758 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.240 1.221 -6.910 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.320 0.308 -8.090 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.368 -0.040 -5.049 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.405 -1.290 -6.277 1.00 8.33 H new ATOM 596 N PRO A 38 -7.710 1.905 -6.354 1.00 8.71 N ATOM 597 CA PRO A 38 -6.766 2.761 -5.694 1.00 9.08 C ATOM 598 C PRO A 38 -7.332 3.959 -4.875 1.00 9.28 C ATOM 599 O PRO A 38 -6.727 4.257 -3.827 1.00 6.50 O ATOM 600 CB PRO A 38 -5.748 3.125 -6.763 1.00 10.31 C ATOM 601 CG PRO A 38 -5.749 1.942 -7.709 1.00 10.81 C ATOM 602 CD PRO A 38 -7.206 1.499 -7.712 1.00 12.00 C ATOM 0 HA PRO A 38 -6.308 2.224 -4.863 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.025 4.045 -7.278 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.760 3.287 -6.331 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.412 2.224 -8.706 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.088 1.148 -7.362 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.770 1.984 -8.509 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.296 0.424 -7.867 1.00 12.00 H new ATOM 610 N ASP A 39 -8.439 4.606 -5.308 1.00 11.20 N ATOM 611 CA ASP A 39 -8.943 5.797 -4.680 1.00 14.96 C ATOM 612 C ASP A 39 -10.030 5.431 -3.655 1.00 13.99 C ATOM 613 O ASP A 39 -10.607 6.192 -2.877 1.00 13.75 O ATOM 614 CB ASP A 39 -9.375 6.927 -5.636 1.00 24.16 C ATOM 615 CG ASP A 39 -8.255 7.543 -6.411 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.565 8.517 -5.977 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.016 7.010 -7.522 1.00 34.22 O ATOM 0 H ASP A 39 -8.992 4.296 -6.107 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.095 6.242 -4.159 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.111 6.532 -6.336 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.871 7.706 -5.057 1.00 24.16 H new ATOM 622 N GLN A 40 -10.235 4.125 -3.537 1.00 11.60 N ATOM 623 CA GLN A 40 -11.034 3.584 -2.453 1.00 10.76 C ATOM 624 C GLN A 40 -10.119 2.884 -1.456 1.00 8.01 C ATOM 625 O GLN A 40 -10.527 2.327 -0.432 1.00 8.96 O ATOM 626 CB GLN A 40 -12.085 2.606 -3.014 1.00 11.14 C ATOM 627 CG GLN A 40 -13.149 3.248 -3.967 1.00 14.85 C ATOM 628 CD GLN A 40 -14.278 2.275 -4.435 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.412 1.061 -4.167 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.206 2.819 -5.308 1.00 18.16 N ATOM 0 H GLN A 40 -9.859 3.426 -4.178 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.559 4.391 -1.942 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.568 1.813 -3.554 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.605 2.137 -2.178 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.607 4.096 -3.459 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.639 3.641 -4.847 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.148 3.805 -5.564 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.947 2.234 -5.694 1.00 18.16 H new ATOM 639 N GLN A 41 -8.781 2.889 -1.636 1.00 6.52 N ATOM 640 CA GLN A 41 -7.759 2.178 -0.848 1.00 3.87 C ATOM 641 C GLN A 41 -6.815 3.295 -0.310 1.00 4.79 C ATOM 642 O GLN A 41 -6.548 4.307 -0.966 1.00 6.34 O ATOM 643 CB GLN A 41 -6.781 1.323 -1.669 1.00 4.20 C ATOM 644 CG GLN A 41 -7.377 -0.055 -2.094 1.00 3.20 C ATOM 645 CD GLN A 41 -6.275 -0.787 -2.807 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.218 -1.020 -2.234 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.497 -1.134 -4.079 1.00 7.13 N ATOM 0 H GLN A 41 -8.359 3.430 -2.391 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.296 1.548 -0.139 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.487 1.875 -2.562 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.876 1.156 -1.085 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.718 -0.616 -1.224 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.241 0.079 -2.746 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.393 -0.920 -4.517 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.770 -1.613 -4.611 1.00 7.13 H new ATOM 656 N ARG A 42 -6.218 3.098 0.922 1.00 5.73 N ATOM 657 CA ARG A 42 -5.263 4.063 1.518 1.00 6.97 C ATOM 658 C ARG A 42 -4.247 3.303 2.340 1.00 7.15 C ATOM 659 O ARG A 42 -4.593 2.208 2.848 1.00 7.33 O ATOM 660 CB ARG A 42 -5.862 5.177 2.359 1.00 13.23 C ATOM 661 CG ARG A 42 -6.545 6.294 1.593 1.00 21.27 C ATOM 662 CD ARG A 42 -7.201 7.336 2.576 1.00 26.14 C ATOM 663 NE ARG A 42 -7.676 8.426 1.764 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.897 9.669 2.214 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.063 9.971 3.491 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.771 10.712 1.387 1.00 36.39 N ATOM 0 H ARG A 42 -6.392 2.279 1.504 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.815 4.577 0.668 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.586 4.738 3.045 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.069 5.612 2.968 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.819 6.798 0.955 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.309 5.876 0.938 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.021 6.881 3.132 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.475 7.687 3.309 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.857 8.239 0.778 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.026 9.236 4.198 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.228 10.938 3.769 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.507 10.562 0.413 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.939 11.658 1.730 1.00 36.39 H new ATOM 680 N LEU A 43 -2.979 3.719 2.348 1.00 4.65 N ATOM 681 CA LEU A 43 -1.862 2.880 2.743 1.00 3.51 C ATOM 682 C LEU A 43 -1.005 3.548 3.854 1.00 5.56 C ATOM 683 O LEU A 43 -0.669 4.751 3.867 1.00 4.19 O ATOM 684 CB LEU A 43 -0.924 2.597 1.438 1.00 3.74 C ATOM 685 CG LEU A 43 -1.420 1.443 0.543 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.424 1.187 -0.612 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.695 0.098 1.256 1.00 6.41 C ATOM 0 H LEU A 43 -2.703 4.662 2.075 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.261 1.947 3.142 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.867 3.507 0.841 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.088 2.373 1.774 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.386 1.795 0.182 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.790 0.370 -1.233 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.329 2.089 -1.217 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.550 0.922 -0.201 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.038 -0.637 0.527 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.779 -0.258 1.727 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.462 0.240 2.017 1.00 6.41 H new ATOM 699 N ILE A 44 -0.721 2.730 4.915 1.00 4.58 N ATOM 700 CA ILE A 44 -0.214 3.223 6.217 1.00 5.55 C ATOM 701 C ILE A 44 1.023 2.419 6.598 1.00 5.46 C ATOM 702 O ILE A 44 1.083 1.158 6.525 1.00 6.04 O ATOM 703 CB ILE A 44 -1.291 2.994 7.310 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.677 3.502 6.845 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.844 3.691 8.543 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.821 5.002 6.615 1.00 13.90 C ATOM 0 H ILE A 44 -0.840 1.717 4.882 1.00 4.58 H new ATOM 0 HA ILE A 44 0.022 4.284 6.137 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.403 1.928 7.507 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.932 2.991 5.917 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.415 3.200 7.588 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.584 3.547 9.331 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.114 3.282 8.865 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.734 4.756 8.339 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.838 5.225 6.293 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.610 5.534 7.542 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.118 5.321 5.845 1.00 13.90 H new ATOM 718 N PHE A 45 2.149 3.096 6.980 1.00 6.75 N ATOM 719 CA PHE A 45 3.238 2.350 7.709 1.00 4.70 C ATOM 720 C PHE A 45 3.615 3.082 8.953 1.00 6.34 C ATOM 721 O PHE A 45 3.939 4.242 8.899 1.00 5.45 O ATOM 722 CB PHE A 45 4.469 2.226 6.808 1.00 5.51 C ATOM 723 CG PHE A 45 5.585 1.352 7.295 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.486 1.850 8.239 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.750 0.077 6.741 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.708 1.163 8.527 1.00 6.64 C ATOM 727 CE2 PHE A 45 7.028 -0.552 6.964 1.00 6.68 C ATOM 728 CZ PHE A 45 7.938 -0.006 7.877 1.00 6.84 C ATOM 0 H PHE A 45 2.327 4.086 6.813 1.00 6.75 H new ATOM 0 HA PHE A 45 2.871 1.358 7.970 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.142 1.849 5.839 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.870 3.226 6.643 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.257 2.768 8.760 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.965 -0.407 6.179 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.420 1.560 9.235 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.285 -1.451 6.423 1.00 6.68 H new ATOM 0 HZ PHE A 45 8.859 -0.536 8.072 1.00 6.84 H new ATOM 738 N ALA A 46 3.467 2.390 10.134 1.00 6.53 N ATOM 739 CA ALA A 46 3.853 2.856 11.479 1.00 7.15 C ATOM 740 C ALA A 46 3.264 4.202 11.873 1.00 9.00 C ATOM 741 O ALA A 46 3.949 5.163 12.244 1.00 11.15 O ATOM 742 CB ALA A 46 5.355 2.758 11.621 1.00 8.99 C ATOM 0 H ALA A 46 3.057 1.456 10.155 1.00 6.53 H new ATOM 0 HA ALA A 46 3.399 2.192 12.215 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.650 3.101 12.613 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.666 1.722 11.488 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.833 3.381 10.865 1.00 8.99 H new ATOM 748 N GLY A 47 1.910 4.296 11.848 1.00 9.35 N ATOM 749 CA GLY A 47 1.182 5.480 12.132 1.00 11.68 C ATOM 750 C GLY A 47 1.091 6.595 11.069 1.00 11.14 C ATOM 751 O GLY A 47 0.441 7.614 11.264 1.00 13.93 O ATOM 0 H GLY A 47 1.310 3.504 11.618 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.163 5.184 12.381 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.615 5.921 13.030 1.00 11.68 H new ATOM 755 N LYS A 48 1.747 6.467 9.963 1.00 10.47 N ATOM 756 CA LYS A 48 1.850 7.426 8.917 1.00 8.82 C ATOM 757 C LYS A 48 1.180 7.027 7.618 1.00 7.68 C ATOM 758 O LYS A 48 1.510 6.094 6.955 1.00 6.47 O ATOM 759 CB LYS A 48 3.346 7.544 8.607 1.00 9.74 C ATOM 760 CG LYS A 48 3.773 8.599 7.504 1.00 14.14 C ATOM 761 CD LYS A 48 5.229 8.432 7.125 1.00 16.32 C ATOM 762 CE LYS A 48 6.219 8.808 8.290 1.00 20.04 C ATOM 763 NZ LYS A 48 7.514 8.502 7.880 1.00 23.92 N ATOM 0 H LYS A 48 2.268 5.616 9.752 1.00 10.47 H new ATOM 0 HA LYS A 48 1.361 8.337 9.261 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.865 7.793 9.533 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.705 6.563 8.295 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.148 8.478 6.619 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.605 9.609 7.878 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.404 7.398 6.827 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.446 9.055 6.257 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.137 9.868 8.530 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.967 8.256 9.195 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.184 8.744 8.638 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.581 7.486 7.670 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.746 9.048 7.026 1.00 23.92 H new ATOM 777 N GLN A 49 0.248 7.942 7.216 1.00 8.89 N ATOM 778 CA GLN A 49 -0.389 7.956 5.908 1.00 7.18 C ATOM 779 C GLN A 49 0.563 8.112 4.702 1.00 8.23 C ATOM 780 O GLN A 49 1.129 9.173 4.457 1.00 9.70 O ATOM 781 CB GLN A 49 -1.472 8.980 5.769 1.00 11.67 C ATOM 782 CG GLN A 49 -2.632 8.740 6.762 1.00 15.82 C ATOM 783 CD GLN A 49 -3.566 9.972 6.763 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.969 10.367 7.845 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.025 10.532 5.633 1.00 20.67 N ATOM 0 H GLN A 49 -0.072 8.697 7.822 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.816 6.954 5.875 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.054 9.973 5.934 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.858 8.962 4.750 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.189 7.847 6.479 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.239 8.566 7.764 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.689 10.203 4.728 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.710 11.287 5.679 1.00 20.67 H new ATOM 794 N LEU A 50 0.808 7.050 3.857 1.00 6.51 N ATOM 795 CA LEU A 50 1.739 7.167 2.792 1.00 7.41 C ATOM 796 C LEU A 50 1.112 7.772 1.551 1.00 8.27 C ATOM 797 O LEU A 50 -0.089 7.534 1.339 1.00 8.34 O ATOM 798 CB LEU A 50 2.353 5.828 2.412 1.00 7.13 C ATOM 799 CG LEU A 50 3.074 5.069 3.633 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.562 3.674 3.132 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.152 5.899 4.244 1.00 9.11 C ATOM 0 H LEU A 50 0.356 6.139 3.932 1.00 6.51 H new ATOM 0 HA LEU A 50 2.521 7.829 3.165 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.572 5.184 2.007 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.080 5.986 1.616 1.00 7.13 H new ATOM 0 HG LEU A 50 2.364 4.906 4.444 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.054 3.146 3.949 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.708 3.092 2.786 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.266 3.808 2.311 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.613 5.350 5.065 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.906 6.127 3.491 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.725 6.827 4.624 1.00 9.11 H new ATOM 813 N GLU A 51 1.847 8.538 0.738 1.00 9.43 N ATOM 814 CA GLU A 51 1.258 9.245 -0.359 1.00 11.90 C ATOM 815 C GLU A 51 1.408 8.564 -1.716 1.00 11.49 C ATOM 816 O GLU A 51 2.418 7.960 -1.952 1.00 9.88 O ATOM 817 CB GLU A 51 1.725 10.798 -0.563 1.00 16.56 C ATOM 818 CG GLU A 51 1.415 11.681 0.669 1.00 26.06 C ATOM 819 CD GLU A 51 1.950 13.092 0.514 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.540 13.702 -0.473 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.737 13.623 1.333 1.00 33.44 O ATOM 0 H GLU A 51 2.853 8.672 0.836 1.00 9.43 H new ATOM 0 HA GLU A 51 0.218 9.232 -0.034 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.796 10.828 -0.766 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.223 11.212 -1.437 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.337 11.718 0.825 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.850 11.225 1.559 1.00 26.06 H new ATOM 828 N ASP A 52 0.372 8.771 -2.545 1.00 12.71 N ATOM 829 CA ASP A 52 0.052 8.111 -3.824 1.00 16.56 C ATOM 830 C ASP A 52 1.266 8.105 -4.795 1.00 15.83 C ATOM 831 O ASP A 52 1.786 7.065 -5.275 1.00 17.21 O ATOM 832 CB ASP A 52 -1.131 8.833 -4.444 1.00 21.05 C ATOM 833 CG ASP A 52 -2.294 9.079 -3.522 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.669 8.108 -2.827 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.865 10.189 -3.474 1.00 25.82 O ATOM 0 H ASP A 52 -0.332 9.473 -2.315 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.197 7.067 -3.636 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.787 9.792 -4.831 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.482 8.253 -5.297 1.00 21.05 H new ATOM 840 N GLY A 53 1.736 9.349 -5.159 1.00 15.00 N ATOM 841 CA GLY A 53 2.864 9.629 -6.054 1.00 11.77 C ATOM 842 C GLY A 53 4.200 9.380 -5.467 1.00 11.10 C ATOM 843 O GLY A 53 5.260 9.641 -6.039 1.00 11.25 O ATOM 0 H GLY A 53 1.304 10.204 -4.808 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.758 9.019 -6.951 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.810 10.671 -6.369 1.00 11.77 H new ATOM 847 N ARG A 54 4.274 8.866 -4.167 1.00 8.53 N ATOM 848 CA ARG A 54 5.509 8.621 -3.472 1.00 9.05 C ATOM 849 C ARG A 54 5.875 7.187 -3.642 1.00 8.96 C ATOM 850 O ARG A 54 5.114 6.329 -4.010 1.00 11.60 O ATOM 851 CB ARG A 54 5.497 8.902 -1.933 1.00 7.97 C ATOM 852 CG ARG A 54 5.418 10.379 -1.429 1.00 9.62 C ATOM 853 CD ARG A 54 6.704 11.039 -1.725 1.00 12.20 C ATOM 854 NE ARG A 54 6.554 12.476 -1.202 1.00 18.23 N ATOM 855 CZ ARG A 54 7.025 12.874 -0.031 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.776 12.212 0.806 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.824 14.122 0.314 1.00 23.38 N ATOM 0 H ARG A 54 3.447 8.628 -3.619 1.00 8.53 H new ATOM 0 HA ARG A 54 6.218 9.321 -3.913 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.650 8.364 -1.508 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.399 8.459 -1.511 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.599 10.905 -1.921 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.216 10.405 -0.358 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.531 10.526 -1.234 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.913 11.030 -2.795 1.00 12.20 H new ATOM 0 HE ARG A 54 6.068 13.156 -1.786 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.070 11.261 0.585 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.069 12.646 1.682 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.320 14.749 -0.312 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.172 14.466 1.209 1.00 23.38 H new ATOM 871 N THR A 55 7.146 6.818 -3.400 1.00 9.05 N ATOM 872 CA THR A 55 7.753 5.503 -3.698 1.00 9.03 C ATOM 873 C THR A 55 8.085 4.801 -2.419 1.00 8.15 C ATOM 874 O THR A 55 8.252 5.423 -1.419 1.00 5.91 O ATOM 875 CB THR A 55 8.958 5.517 -4.666 1.00 11.15 C ATOM 876 OG1 THR A 55 9.934 6.438 -4.240 1.00 11.95 O ATOM 877 CG2 THR A 55 8.523 5.905 -6.076 1.00 11.71 C ATOM 0 H THR A 55 7.813 7.459 -2.970 1.00 9.05 H new ATOM 0 HA THR A 55 6.993 4.951 -4.251 1.00 9.03 H new ATOM 0 HB THR A 55 9.374 4.510 -4.671 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.771 5.964 -4.051 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.390 5.907 -6.737 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.790 5.186 -6.441 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.078 6.900 -6.059 1.00 11.71 H new ATOM 885 N LEU A 56 8.173 3.454 -2.477 1.00 6.91 N ATOM 886 CA LEU A 56 8.798 2.634 -1.413 1.00 8.29 C ATOM 887 C LEU A 56 10.180 3.096 -0.941 1.00 8.05 C ATOM 888 O LEU A 56 10.380 3.137 0.294 1.00 10.17 O ATOM 889 CB LEU A 56 8.781 1.080 -1.821 1.00 6.60 C ATOM 890 CG LEU A 56 7.287 0.652 -2.011 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.134 -0.526 -3.037 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.600 0.385 -0.691 1.00 8.64 C ATOM 0 H LEU A 56 7.815 2.905 -3.259 1.00 6.91 H new ATOM 0 HA LEU A 56 8.174 2.783 -0.532 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.344 0.920 -2.740 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.256 0.477 -1.047 1.00 6.60 H new ATOM 0 HG LEU A 56 6.765 1.500 -2.453 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.081 -0.788 -3.136 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.523 -0.217 -4.007 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.692 -1.393 -2.682 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.566 0.091 -0.872 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.119 -0.417 -0.167 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.619 1.288 -0.082 1.00 8.64 H new ATOM 904 N SER A 57 11.105 3.484 -1.874 1.00 8.92 N ATOM 905 CA SER A 57 12.437 3.980 -1.541 1.00 9.00 C ATOM 906 C SER A 57 12.381 5.262 -0.733 1.00 9.44 C ATOM 907 O SER A 57 13.253 5.518 0.157 1.00 10.91 O ATOM 908 CB SER A 57 13.240 4.214 -2.799 1.00 10.32 C ATOM 909 OG SER A 57 12.445 5.018 -3.627 1.00 13.59 O ATOM 0 H SER A 57 10.924 3.453 -2.877 1.00 8.92 H new ATOM 0 HA SER A 57 12.920 3.217 -0.931 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.186 4.706 -2.571 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.481 3.270 -3.288 1.00 10.32 H new ATOM 0 HG SER A 57 12.924 5.202 -4.462 1.00 13.59 H new ATOM 915 N ASP A 58 11.307 6.078 -0.911 1.00 9.11 N ATOM 916 CA ASP A 58 11.069 7.283 -0.117 1.00 7.91 C ATOM 917 C ASP A 58 10.889 7.088 1.347 1.00 9.12 C ATOM 918 O ASP A 58 11.434 7.819 2.189 1.00 8.61 O ATOM 919 CB ASP A 58 9.924 8.071 -0.716 1.00 8.41 C ATOM 920 CG ASP A 58 9.970 9.542 -0.387 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.677 10.319 -1.100 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.305 10.016 0.580 1.00 10.05 O ATOM 0 H ASP A 58 10.589 5.905 -1.614 1.00 9.11 H new ATOM 0 HA ASP A 58 11.999 7.848 -0.176 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.936 7.948 -1.799 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.982 7.656 -0.359 1.00 8.41 H new ATOM 927 N TYR A 59 10.065 6.094 1.703 1.00 7.97 N ATOM 928 CA TYR A 59 9.762 5.675 3.017 1.00 8.45 C ATOM 929 C TYR A 59 10.705 4.567 3.405 1.00 10.98 C ATOM 930 O TYR A 59 10.548 3.930 4.449 1.00 12.95 O ATOM 931 CB TYR A 59 8.299 5.203 3.034 1.00 7.94 C ATOM 932 CG TYR A 59 7.400 6.382 2.628 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.376 7.558 3.401 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.450 6.185 1.601 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.453 8.564 3.067 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.552 7.166 1.304 1.00 6.52 C ATOM 937 CZ TYR A 59 5.477 8.344 2.070 1.00 6.76 C ATOM 938 OH TYR A 59 4.444 9.301 1.828 1.00 7.63 O ATOM 0 H TYR A 59 9.571 5.540 1.003 1.00 7.97 H new ATOM 0 HA TYR A 59 9.882 6.485 3.736 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.162 4.368 2.346 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.028 4.845 4.027 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.053 7.685 4.233 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.435 5.256 1.051 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.490 9.515 3.578 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.885 7.037 0.464 1.00 6.52 H new ATOM 0 HH TYR A 59 4.774 10.199 2.041 1.00 7.63 H new ATOM 948 N ASN A 60 11.693 4.214 2.586 1.00 12.38 N ATOM 949 CA ASN A 60 12.821 3.296 2.964 1.00 13.94 C ATOM 950 C ASN A 60 12.366 1.866 3.328 1.00 14.16 C ATOM 951 O ASN A 60 12.823 1.319 4.370 1.00 14.26 O ATOM 952 CB ASN A 60 13.731 3.802 4.060 1.00 19.23 C ATOM 953 CG ASN A 60 14.224 5.207 3.790 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.818 6.166 4.432 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.050 5.305 2.694 1.00 24.09 N ATOM 0 H ASN A 60 11.755 4.549 1.625 1.00 12.38 H new ATOM 0 HA ASN A 60 13.399 3.271 2.040 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.198 3.782 5.011 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.585 3.132 4.159 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.362 6.221 2.371 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.351 4.462 2.205 1.00 24.09 H new ATOM 962 N ILE A 61 11.482 1.242 2.518 1.00 11.08 N ATOM 963 CA ILE A 61 10.857 -0.013 2.910 1.00 11.78 C ATOM 964 C ILE A 61 11.825 -1.200 2.690 1.00 13.74 C ATOM 965 O ILE A 61 12.205 -1.565 1.557 1.00 14.60 O ATOM 966 CB ILE A 61 9.500 -0.283 2.230 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.534 0.968 2.381 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.815 -1.591 2.752 1.00 13.29 C ATOM 969 CD1 ILE A 61 8.121 1.323 3.846 1.00 11.42 C ATOM 0 H ILE A 61 11.197 1.592 1.603 1.00 11.08 H new ATOM 0 HA ILE A 61 10.639 0.087 3.973 1.00 11.78 H new ATOM 0 HB ILE A 61 9.702 -0.439 1.170 1.00 11.80 H new ATOM 0 HG12 ILE A 61 9.021 1.837 1.938 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.630 0.779 1.802 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.863 -1.733 2.240 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.463 -2.445 2.555 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.641 -1.507 3.825 1.00 13.29 H new ATOM 0 HD11 ILE A 61 7.462 2.191 3.838 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.600 0.476 4.293 1.00 11.42 H new ATOM 0 HD13 ILE A 61 9.013 1.550 4.431 1.00 11.42 H new ATOM 981 N GLN A 62 12.360 -1.948 3.699 1.00 13.97 N ATOM 982 CA GLN A 62 13.214 -3.134 3.679 1.00 15.52 C ATOM 983 C GLN A 62 12.423 -4.383 3.336 1.00 13.94 C ATOM 984 O GLN A 62 11.194 -4.427 3.594 1.00 12.15 O ATOM 985 CB GLN A 62 13.968 -3.441 4.959 1.00 19.53 C ATOM 986 CG GLN A 62 14.646 -2.237 5.541 1.00 26.38 C ATOM 987 CD GLN A 62 15.495 -2.650 6.753 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.732 -2.596 6.646 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.866 -2.959 7.892 1.00 32.71 N ATOM 0 H GLN A 62 12.165 -1.682 4.664 1.00 13.97 H new ATOM 0 HA GLN A 62 13.949 -2.876 2.916 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.275 -3.852 5.693 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.714 -4.211 4.760 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.277 -1.765 4.788 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.902 -1.500 5.842 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.847 -2.988 7.920 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.405 -3.166 8.733 1.00 32.71 H new ATOM 998 N LYS A 63 13.001 -5.444 2.699 1.00 11.73 N ATOM 999 CA LYS A 63 12.293 -6.591 2.216 1.00 11.97 C ATOM 1000 C LYS A 63 11.591 -7.404 3.307 1.00 10.41 C ATOM 1001 O LYS A 63 12.066 -7.482 4.445 1.00 9.59 O ATOM 1002 CB LYS A 63 13.243 -7.547 1.406 1.00 13.73 C ATOM 1003 CG LYS A 63 14.190 -8.352 2.266 1.00 16.98 C ATOM 1004 CD LYS A 63 15.265 -9.050 1.403 1.00 20.19 C ATOM 1005 CE LYS A 63 15.954 -10.329 2.022 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.028 -10.839 1.124 1.00 25.97 N ATOM 0 H LYS A 63 14.004 -5.492 2.520 1.00 11.73 H new ATOM 0 HA LYS A 63 11.518 -6.182 1.568 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.634 -8.232 0.816 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.825 -6.952 0.703 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.671 -7.698 2.994 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.630 -9.098 2.829 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.808 -9.335 0.456 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.043 -8.322 1.175 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.375 -10.085 2.997 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.208 -11.107 2.183 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.467 -11.680 1.551 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.619 -11.092 0.202 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.749 -10.101 0.992 1.00 25.97 H new ATOM 1020 N GLU A 64 10.456 -7.995 2.962 1.00 10.04 N ATOM 1021 CA GLU A 64 9.584 -8.763 3.832 1.00 10.94 C ATOM 1022 C GLU A 64 8.951 -7.962 4.970 1.00 9.74 C ATOM 1023 O GLU A 64 8.479 -8.528 5.976 1.00 9.42 O ATOM 1024 CB GLU A 64 10.343 -10.049 4.507 1.00 18.31 C ATOM 1025 CG GLU A 64 10.985 -10.918 3.454 1.00 24.16 C ATOM 1026 CD GLU A 64 11.856 -11.961 4.080 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.692 -11.684 4.971 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.705 -13.178 3.669 1.00 31.72 O ATOM 0 H GLU A 64 10.100 -7.947 2.008 1.00 10.04 H new ATOM 0 HA GLU A 64 8.794 -9.089 3.155 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.102 -9.700 5.207 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.627 -10.637 5.081 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.213 -11.397 2.852 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.578 -10.301 2.779 1.00 24.16 H new ATOM 1035 N SER A 65 8.915 -6.657 4.812 1.00 6.85 N ATOM 1036 CA SER A 65 8.380 -5.741 5.721 1.00 6.90 C ATOM 1037 C SER A 65 6.928 -5.675 5.619 1.00 4.72 C ATOM 1038 O SER A 65 6.369 -5.980 4.566 1.00 3.91 O ATOM 1039 CB SER A 65 9.067 -4.368 5.584 1.00 7.28 C ATOM 1040 OG SER A 65 8.627 -3.513 6.613 1.00 10.56 O ATOM 0 H SER A 65 9.292 -6.205 3.979 1.00 6.85 H new ATOM 0 HA SER A 65 8.590 -6.091 6.732 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.150 -4.486 5.634 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.838 -3.931 4.612 1.00 7.28 H new ATOM 0 HG SER A 65 9.066 -2.641 6.524 1.00 10.56 H new ATOM 1046 N THR A 66 6.246 -5.125 6.627 1.00 4.48 N ATOM 1047 CA THR A 66 4.807 -5.137 6.700 1.00 3.80 C ATOM 1048 C THR A 66 4.292 -3.697 6.555 1.00 4.60 C ATOM 1049 O THR A 66 4.752 -2.770 7.220 1.00 5.33 O ATOM 1050 CB THR A 66 4.359 -5.715 8.045 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.570 -7.107 7.926 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.908 -5.469 8.291 1.00 3.40 C ATOM 0 H THR A 66 6.694 -4.658 7.416 1.00 4.48 H new ATOM 0 HA THR A 66 4.402 -5.757 5.900 1.00 3.80 H new ATOM 0 HB THR A 66 4.907 -5.258 8.869 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.305 -7.550 8.759 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.625 -5.893 9.255 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.717 -4.396 8.297 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.321 -5.938 7.502 1.00 3.40 H new ATOM 1060 N LEU A 67 3.357 -3.418 5.651 1.00 4.17 N ATOM 1061 CA LEU A 67 2.719 -2.253 5.431 1.00 3.85 C ATOM 1062 C LEU A 67 1.255 -2.525 5.725 1.00 3.80 C ATOM 1063 O LEU A 67 0.688 -3.624 5.567 1.00 5.54 O ATOM 1064 CB LEU A 67 2.777 -1.885 3.966 1.00 7.18 C ATOM 1065 CG LEU A 67 3.972 -1.121 3.368 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.255 -1.928 3.687 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.849 -0.771 1.877 1.00 11.66 C ATOM 0 H LEU A 67 3.034 -4.139 5.006 1.00 4.17 H new ATOM 0 HA LEU A 67 3.165 -1.463 6.035 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.684 -2.814 3.404 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.887 -1.293 3.754 1.00 7.18 H new ATOM 0 HG LEU A 67 4.007 -0.137 3.836 1.00 9.67 H new ATOM 0 HD11 LEU A 67 6.122 -1.411 3.275 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.367 -2.021 4.767 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.180 -2.921 3.243 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.741 -0.235 1.554 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.746 -1.687 1.295 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.972 -0.142 1.722 1.00 11.66 H new ATOM 1079 N HIS A 68 0.522 -1.469 6.140 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.870 -1.588 6.574 1.00 4.17 C ATOM 1081 C HIS A 68 -1.789 -0.981 5.509 1.00 5.32 C ATOM 1082 O HIS A 68 -1.402 0.059 4.922 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.151 -0.921 8.039 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.978 -1.961 9.107 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.232 -2.568 9.341 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.758 -2.313 10.157 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.107 -3.289 10.475 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.081 -3.162 10.981 1.00 16.30 N ATOM 0 H HIS A 68 0.885 -0.517 6.180 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.086 -2.650 6.688 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.464 -0.092 8.210 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.161 -0.512 8.076 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.770 -1.971 10.318 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.893 -3.893 10.905 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.437 -3.608 11.826 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.013 -1.571 5.297 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.996 -1.058 4.297 1.00 3.97 C ATOM 1098 C LEU A 69 -5.207 -0.596 5.059 1.00 5.07 C ATOM 1099 O LEU A 69 -5.749 -1.337 5.877 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.509 -2.185 3.342 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.624 -1.853 2.284 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.151 -0.853 1.264 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.989 -3.164 1.571 1.00 9.96 C ATOM 0 H LEU A 69 -3.333 -2.395 5.805 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.506 -0.278 3.714 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.647 -2.570 2.798 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.882 -2.998 3.966 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.482 -1.417 2.796 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.952 -0.652 0.553 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.871 0.073 1.765 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.287 -1.255 0.734 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.762 -2.971 0.828 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.105 -3.568 1.078 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.359 -3.884 2.301 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.607 0.653 4.903 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.918 1.063 5.376 1.00 6.26 C ATOM 1117 C VAL A 70 -7.722 1.403 4.172 1.00 9.22 C ATOM 1118 O VAL A 70 -7.286 1.686 3.086 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.870 2.289 6.329 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.016 1.937 7.550 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.462 3.644 5.654 1.00 8.54 C ATOM 0 H VAL A 70 -5.056 1.389 4.461 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.353 0.248 5.954 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.892 2.490 6.649 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.976 2.792 8.225 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.456 1.085 8.069 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.006 1.683 7.227 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.458 4.437 6.402 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.466 3.549 5.221 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.177 3.889 4.869 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.044 1.379 4.414 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.993 1.506 3.319 1.00 16.06 C ATOM 1133 C LEU A 71 -10.892 2.742 3.358 1.00 18.09 C ATOM 1134 O LEU A 71 -11.018 3.364 4.388 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.986 0.270 3.161 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.211 -1.006 2.800 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.213 -2.189 2.753 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.561 -1.032 1.402 1.00 19.57 C ATOM 0 H LEU A 71 -9.462 1.275 5.338 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.302 1.574 2.479 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.535 0.117 4.090 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.723 0.485 2.387 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.427 -1.061 3.555 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.682 -3.106 2.498 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.687 -2.303 3.728 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.976 -1.990 2.000 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.042 -1.980 1.259 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.333 -0.922 0.640 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.848 -0.212 1.317 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.443 3.103 2.167 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.036 4.410 2.024 1.00 25.83 C ATOM 1152 C ARG A 72 -13.180 4.368 1.107 1.00 27.74 C ATOM 1153 O ARG A 72 -13.445 5.235 0.299 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.913 5.417 1.569 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.016 6.887 2.078 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.182 7.759 1.476 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.108 9.164 1.916 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.404 10.104 1.220 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.738 9.898 0.117 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.452 11.338 1.676 1.00 35.02 N ATOM 0 H ARG A 72 -11.477 2.514 1.335 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.438 4.756 2.976 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.952 5.016 1.890 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.902 5.438 0.479 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.130 6.866 3.162 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.071 7.388 1.867 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -12.140 7.718 0.388 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -13.141 7.336 1.774 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.598 9.442 2.766 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.714 8.966 -0.298 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.241 10.668 -0.330 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.997 11.552 2.511 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.944 12.080 1.194 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.971 3.286 1.102 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.229 3.078 0.336 1.00 30.76 C ATOM 1176 C LEU A 73 -16.281 4.011 0.855 1.00 32.18 C ATOM 1177 O LEU A 73 -16.549 4.079 2.061 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.696 1.577 0.497 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.885 0.664 -0.493 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -13.498 0.229 -0.010 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.723 -0.604 -0.669 1.00 29.11 C ATOM 0 H LEU A 73 -13.741 2.470 1.670 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.062 3.284 -0.721 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.541 1.245 1.524 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.763 1.494 0.293 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.712 1.245 -1.399 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -13.028 -0.396 -0.769 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -12.881 1.110 0.167 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -13.596 -0.337 0.916 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.213 -1.286 -1.350 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.856 -1.089 0.298 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.698 -0.342 -1.081 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.975 4.815 0.004 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.827 5.820 0.549 1.00 35.33 C ATOM 1195 C ARG A 74 -19.076 5.278 1.215 1.00 36.22 C ATOM 1196 O ARG A 74 -19.411 5.637 2.335 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.230 6.927 -0.439 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.992 7.738 -0.965 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.077 8.437 0.031 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.180 9.257 -0.809 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.627 10.395 -0.359 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.784 10.774 0.923 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.094 11.242 -1.232 1.00 41.93 N ATOM 0 H ARG A 74 -16.943 4.766 -1.014 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.190 6.267 1.312 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.756 6.483 -1.284 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.928 7.609 0.048 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.377 7.053 -1.549 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.366 8.496 -1.653 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.645 9.055 0.727 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.516 7.718 0.628 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.974 8.949 -1.760 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.327 10.195 1.563 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.360 11.640 1.254 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.109 11.024 -2.228 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.670 12.111 -0.906 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.671 4.364 0.497 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.835 3.638 0.865 1.00 36.07 C ATOM 1219 C GLY A 75 -20.626 2.507 1.864 1.00 36.16 C ATOM 1220 O GLY A 75 -21.612 1.874 2.297 1.00 36.26 O ATOM 0 H GLY A 75 -19.323 4.096 -0.423 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.559 4.337 1.284 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.280 3.221 -0.038 1.00 36.07 H new ATOM 1224 N GLY A 76 -19.390 2.236 2.286 1.00 36.05 N ATOM 1225 CA GLY A 76 -19.161 1.258 3.427 1.00 36.19 C ATOM 1226 C GLY A 76 -17.795 0.565 3.387 1.00 36.20 C ATOM 1227 O GLY A 76 -17.803 -0.534 2.728 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.847 1.062 4.013 1.00 0.00 O ATOM 0 H GLY A 76 -18.542 2.645 1.894 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -19.260 1.790 4.373 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -19.943 0.499 3.404 1.00 36.19 H new TER 1232 GLY A 76