USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 7 THR OG1 : rot 128:sc= 0.82 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.206 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.461 (180deg=-0.738) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.17 (180deg=0.924) USER MOD Single : A 2 GLN : amide:sc= -0.0502 X(o=-0.05,f=0.072) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -147:sc= 0.763 (180deg=0.286) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00155 USER MOD Single : A 22 THR OG1 : rot -170:sc=0.000446 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0.121 (180deg=0.116) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.681 K(o=0.68,f=-0.2) USER MOD Single : A 41 GLN : amide:sc= -0.629 K(o=-0.63,f=-5.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.543 K(o=0.54,f=-2.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.252 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 62 GLN : amide:sc= -0.0176 X(o=-0.018,f=-0.00016) USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= 1.15 (180deg=0.866) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.510 4.935 -3.462 1.00 9.67 N ATOM 2 CA MET A 1 -12.382 5.490 -2.095 1.00 10.38 C ATOM 3 C MET A 1 -10.993 6.017 -1.981 1.00 9.62 C ATOM 4 O MET A 1 -10.145 5.809 -2.847 1.00 9.62 O ATOM 5 CB MET A 1 -12.632 4.372 -1.069 1.00 13.77 C ATOM 6 CG MET A 1 -11.450 3.431 -0.830 1.00 16.29 C ATOM 7 SD MET A 1 -11.738 2.041 0.306 1.00 17.17 S ATOM 8 CE MET A 1 -10.228 1.184 -0.228 1.00 16.11 C ATOM 0 H1 MET A 1 -13.191 4.149 -3.455 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.844 5.678 -4.108 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.584 4.587 -3.784 1.00 9.67 H new ATOM 0 HA MET A 1 -13.106 6.282 -1.905 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.910 4.828 -0.119 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.485 3.781 -1.401 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.136 3.026 -1.792 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.617 4.020 -0.445 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.972 0.412 0.497 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.395 0.725 -1.203 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.409 1.900 -0.300 1.00 16.11 H new ATOM 20 N GLN A 2 -10.646 6.731 -0.895 1.00 9.27 N ATOM 21 CA GLN A 2 -9.318 7.208 -0.663 1.00 9.07 C ATOM 22 C GLN A 2 -8.669 6.559 0.510 1.00 8.72 C ATOM 23 O GLN A 2 -9.230 6.515 1.604 1.00 8.22 O ATOM 24 CB GLN A 2 -9.066 8.719 -0.532 1.00 14.46 C ATOM 25 CG GLN A 2 -9.658 9.335 0.737 1.00 17.01 C ATOM 26 CD GLN A 2 -9.411 10.837 0.740 1.00 20.10 C ATOM 27 OE1 GLN A 2 -8.814 11.363 1.678 1.00 21.89 O ATOM 28 NE2 GLN A 2 -9.830 11.579 -0.320 1.00 19.49 N ATOM 0 H GLN A 2 -11.306 6.983 -0.159 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.876 6.921 -1.617 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -7.991 8.901 -0.546 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.487 9.225 -1.401 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.728 9.132 0.787 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -9.206 8.880 1.619 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.324 11.132 -1.092 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -9.650 12.583 -0.343 1.00 19.49 H new ATOM 37 N ILE A 3 -7.455 5.998 0.362 1.00 5.87 N ATOM 38 CA ILE A 3 -6.721 5.518 1.491 1.00 5.07 C ATOM 39 C ILE A 3 -5.428 6.257 1.551 1.00 4.01 C ATOM 40 O ILE A 3 -4.992 6.999 0.672 1.00 4.61 O ATOM 41 CB ILE A 3 -6.320 4.073 1.464 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.417 3.629 0.301 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.536 3.138 1.580 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.715 2.298 0.565 1.00 10.83 C ATOM 0 H ILE A 3 -6.984 5.877 -0.535 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.401 5.662 2.331 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.691 3.984 2.350 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.017 3.544 -0.605 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.667 4.398 0.116 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.201 2.101 1.556 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.055 3.331 2.519 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.215 3.319 0.747 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.093 2.039 -0.292 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.090 2.386 1.454 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.460 1.518 0.721 1.00 10.83 H new ATOM 56 N PHE A 4 -4.711 5.962 2.650 1.00 4.55 N ATOM 57 CA PHE A 4 -3.471 6.614 2.932 1.00 4.68 C ATOM 58 C PHE A 4 -2.379 5.604 3.024 1.00 5.30 C ATOM 59 O PHE A 4 -2.610 4.540 3.595 1.00 5.58 O ATOM 60 CB PHE A 4 -3.552 7.325 4.294 1.00 4.83 C ATOM 61 CG PHE A 4 -4.472 8.494 4.221 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.219 9.409 3.226 1.00 8.34 C ATOM 63 CD2 PHE A 4 -5.650 8.615 4.920 1.00 6.69 C ATOM 64 CE1 PHE A 4 -5.040 10.498 3.053 1.00 10.61 C ATOM 65 CE2 PHE A 4 -6.520 9.642 4.636 1.00 9.10 C ATOM 66 CZ PHE A 4 -6.226 10.637 3.735 1.00 8.90 C ATOM 0 H PHE A 4 -4.991 5.270 3.345 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.271 7.329 2.134 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.902 6.627 5.055 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.559 7.655 4.597 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -3.368 9.271 2.575 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -5.893 7.902 5.694 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -4.744 11.270 2.358 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -7.474 9.667 5.142 1.00 9.10 H new ATOM 0 HZ PHE A 4 -6.886 11.476 3.572 1.00 8.90 H new ATOM 76 N VAL A 5 -1.139 5.915 2.606 1.00 4.44 N ATOM 77 CA VAL A 5 -0.072 4.991 2.834 1.00 3.87 C ATOM 78 C VAL A 5 1.075 5.763 3.389 1.00 4.93 C ATOM 79 O VAL A 5 1.480 6.795 2.855 1.00 6.84 O ATOM 80 CB VAL A 5 0.336 4.176 1.643 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.564 3.335 2.032 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.826 3.241 1.267 1.00 9.13 C ATOM 0 H VAL A 5 -0.880 6.777 2.126 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.430 4.239 3.537 1.00 3.87 H new ATOM 0 HB VAL A 5 0.578 4.820 0.797 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.878 2.733 1.179 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.378 3.996 2.329 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.307 2.679 2.864 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.545 2.641 0.402 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.050 2.584 2.107 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.707 3.835 1.026 1.00 9.13 H new ATOM 92 N LYS A 6 1.621 5.451 4.578 1.00 6.04 N ATOM 93 CA LYS A 6 2.492 6.284 5.349 1.00 6.12 C ATOM 94 C LYS A 6 3.677 5.597 5.936 1.00 6.57 C ATOM 95 O LYS A 6 3.633 4.421 6.294 1.00 5.76 O ATOM 96 CB LYS A 6 1.649 6.835 6.512 1.00 7.45 C ATOM 97 CG LYS A 6 2.241 7.958 7.365 1.00 11.12 C ATOM 98 CD LYS A 6 1.316 8.512 8.451 1.00 14.54 C ATOM 99 CE LYS A 6 1.793 9.875 8.958 1.00 18.84 C ATOM 100 NZ LYS A 6 0.844 10.406 9.962 1.00 20.55 N ATOM 0 H LYS A 6 1.441 4.555 5.031 1.00 6.04 H new ATOM 0 HA LYS A 6 2.891 7.041 4.674 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.706 7.192 6.099 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.412 6.003 7.175 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.151 7.591 7.839 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.532 8.777 6.707 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.304 8.604 8.055 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.270 7.810 9.283 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.785 9.781 9.399 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.880 10.572 8.124 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.177 11.331 10.299 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.095 10.513 9.529 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.782 9.747 10.764 1.00 20.55 H new ATOM 114 N THR A 7 4.858 6.239 5.986 1.00 7.41 N ATOM 115 CA THR A 7 6.124 5.676 6.337 1.00 7.48 C ATOM 116 C THR A 7 6.252 5.592 7.820 1.00 8.75 C ATOM 117 O THR A 7 5.380 5.855 8.646 1.00 8.58 O ATOM 118 CB THR A 7 7.379 6.237 5.736 1.00 9.61 C ATOM 119 OG1 THR A 7 7.578 7.608 6.048 1.00 11.78 O ATOM 120 CG2 THR A 7 7.185 6.230 4.210 1.00 9.17 C ATOM 0 H THR A 7 4.931 7.232 5.763 1.00 7.41 H new ATOM 0 HA THR A 7 6.074 4.698 5.858 1.00 7.48 H new ATOM 0 HB THR A 7 8.212 5.643 6.112 1.00 9.61 H new ATOM 0 HG1 THR A 7 8.474 7.731 6.425 1.00 11.78 H new ATOM 0 HG21 THR A 7 8.077 6.631 3.728 1.00 9.17 H new ATOM 0 HG22 THR A 7 7.017 5.208 3.869 1.00 9.17 H new ATOM 0 HG23 THR A 7 6.324 6.845 3.950 1.00 9.17 H new ATOM 128 N LEU A 8 7.457 5.247 8.306 1.00 9.84 N ATOM 129 CA LEU A 8 7.999 5.306 9.628 1.00 14.15 C ATOM 130 C LEU A 8 8.368 6.678 10.078 1.00 17.37 C ATOM 131 O LEU A 8 8.238 7.090 11.229 1.00 17.01 O ATOM 132 CB LEU A 8 9.195 4.341 9.677 1.00 16.63 C ATOM 133 CG LEU A 8 9.615 3.981 11.113 1.00 18.88 C ATOM 134 CD1 LEU A 8 8.687 3.067 11.931 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.007 3.328 11.159 1.00 19.31 C ATOM 0 H LEU A 8 8.155 4.868 7.666 1.00 9.84 H new ATOM 0 HA LEU A 8 7.226 5.005 10.335 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.941 3.428 9.138 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.041 4.792 9.159 1.00 16.63 H new ATOM 0 HG LEU A 8 9.579 4.966 11.579 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.116 2.904 12.920 1.00 18.59 H new ATOM 0 HD12 LEU A 8 7.709 3.538 12.033 1.00 18.59 H new ATOM 0 HD13 LEU A 8 8.577 2.110 11.421 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.263 3.090 12.191 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.999 2.413 10.567 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.746 4.018 10.751 1.00 19.31 H new ATOM 147 N THR A 9 8.959 7.495 9.188 1.00 18.33 N ATOM 148 CA THR A 9 9.215 8.864 9.511 1.00 19.24 C ATOM 149 C THR A 9 7.951 9.653 9.536 1.00 19.48 C ATOM 150 O THR A 9 7.743 10.437 10.461 1.00 23.14 O ATOM 151 CB THR A 9 10.172 9.533 8.569 1.00 18.97 C ATOM 152 OG1 THR A 9 10.027 9.014 7.256 1.00 20.24 O ATOM 153 CG2 THR A 9 11.549 9.122 9.117 1.00 19.70 C ATOM 0 H THR A 9 9.257 7.212 8.254 1.00 18.33 H new ATOM 0 HA THR A 9 9.675 8.843 10.499 1.00 19.24 H new ATOM 0 HB THR A 9 10.017 10.610 8.510 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.658 9.463 6.655 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.332 9.560 8.498 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.654 9.479 10.142 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.638 8.036 9.100 1.00 19.70 H new ATOM 161 N GLY A 10 7.105 9.505 8.502 1.00 19.43 N ATOM 162 CA GLY A 10 5.786 10.046 8.388 1.00 18.74 C ATOM 163 C GLY A 10 5.459 10.674 7.077 1.00 17.62 C ATOM 164 O GLY A 10 4.727 11.659 7.149 1.00 19.74 O ATOM 0 H GLY A 10 7.366 8.962 7.679 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.068 9.248 8.578 1.00 18.74 H new ATOM 0 HA3 GLY A 10 5.649 10.791 9.172 1.00 18.74 H new ATOM 168 N LYS A 11 5.941 10.165 5.929 1.00 13.56 N ATOM 169 CA LYS A 11 5.613 10.744 4.663 1.00 11.91 C ATOM 170 C LYS A 11 4.356 10.154 4.124 1.00 10.18 C ATOM 171 O LYS A 11 4.362 8.924 4.087 1.00 9.10 O ATOM 172 CB LYS A 11 6.798 10.549 3.703 1.00 13.43 C ATOM 173 CG LYS A 11 6.750 11.181 2.310 1.00 16.69 C ATOM 174 CD LYS A 11 7.999 11.098 1.430 1.00 17.92 C ATOM 175 CE LYS A 11 7.858 11.915 0.144 1.00 20.81 C ATOM 176 NZ LYS A 11 6.920 11.414 -0.886 1.00 21.93 N ATOM 0 H LYS A 11 6.557 9.354 5.877 1.00 13.56 H new ATOM 0 HA LYS A 11 5.433 11.813 4.779 1.00 11.91 H new ATOM 0 HB2 LYS A 11 7.689 10.928 4.203 1.00 13.43 H new ATOM 0 HB3 LYS A 11 6.938 9.476 3.571 1.00 13.43 H new ATOM 0 HG2 LYS A 11 5.928 10.719 1.764 1.00 16.69 H new ATOM 0 HG3 LYS A 11 6.499 12.235 2.432 1.00 16.69 H new ATOM 0 HD2 LYS A 11 8.862 11.456 1.992 1.00 17.92 H new ATOM 0 HD3 LYS A 11 8.194 10.056 1.176 1.00 17.92 H new ATOM 0 HE2 LYS A 11 7.548 12.923 0.419 1.00 20.81 H new ATOM 0 HE3 LYS A 11 8.845 11.998 -0.312 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 7.281 11.655 -1.831 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.831 10.381 -0.802 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.987 11.854 -0.750 1.00 21.93 H new ATOM 190 N THR A 12 3.286 10.915 3.834 1.00 9.63 N ATOM 191 CA THR A 12 2.021 10.359 3.469 1.00 9.85 C ATOM 192 C THR A 12 1.674 10.533 2.031 1.00 11.66 C ATOM 193 O THR A 12 1.806 11.609 1.449 1.00 12.33 O ATOM 194 CB THR A 12 0.964 10.999 4.320 1.00 10.85 C ATOM 195 OG1 THR A 12 1.355 11.010 5.685 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.388 10.289 4.133 1.00 9.63 C ATOM 0 H THR A 12 3.300 11.935 3.853 1.00 9.63 H new ATOM 0 HA THR A 12 2.081 9.283 3.634 1.00 9.85 H new ATOM 0 HB THR A 12 0.845 12.034 4.000 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.653 11.433 6.223 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.140 10.769 4.759 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.691 10.353 3.088 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.292 9.242 4.420 1.00 9.63 H new ATOM 204 N ILE A 13 1.129 9.447 1.454 1.00 10.42 N ATOM 205 CA ILE A 13 0.619 9.564 0.123 1.00 11.84 C ATOM 206 C ILE A 13 -0.804 9.123 0.140 1.00 10.55 C ATOM 207 O ILE A 13 -1.132 8.053 0.650 1.00 11.92 O ATOM 208 CB ILE A 13 1.467 8.892 -0.916 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.604 7.372 -0.723 1.00 14.87 C ATOM 210 CG2 ILE A 13 2.800 9.659 -0.940 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.522 6.748 -1.774 1.00 16.46 C ATOM 0 H ILE A 13 1.043 8.527 1.885 1.00 10.42 H new ATOM 0 HA ILE A 13 0.661 10.607 -0.192 1.00 11.84 H new ATOM 0 HB ILE A 13 0.991 8.943 -1.895 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.998 7.166 0.272 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.619 6.908 -0.779 1.00 14.87 H new ATOM 0 HG21 ILE A 13 3.463 9.213 -1.682 1.00 17.08 H new ATOM 0 HG22 ILE A 13 2.615 10.702 -1.198 1.00 17.08 H new ATOM 0 HG23 ILE A 13 3.268 9.606 0.043 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.593 5.674 -1.603 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.114 6.932 -2.768 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.514 7.193 -1.701 1.00 16.46 H new ATOM 223 N THR A 14 -1.691 9.864 -0.549 1.00 9.39 N ATOM 224 CA THR A 14 -3.051 9.590 -0.894 1.00 9.63 C ATOM 225 C THR A 14 -3.068 8.741 -2.119 1.00 11.20 C ATOM 226 O THR A 14 -2.633 9.068 -3.222 1.00 11.63 O ATOM 227 CB THR A 14 -3.742 10.903 -1.115 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.689 11.724 0.042 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.211 10.494 -1.314 1.00 11.66 C ATOM 0 H THR A 14 -1.411 10.776 -0.910 1.00 9.39 H new ATOM 0 HA THR A 14 -3.572 9.050 -0.103 1.00 9.63 H new ATOM 0 HB THR A 14 -3.291 11.459 -1.937 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.147 12.572 -0.137 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.816 11.384 -1.486 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.290 9.830 -2.175 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.569 9.978 -0.423 1.00 11.66 H new ATOM 237 N LEU A 15 -3.676 7.549 -1.986 1.00 8.29 N ATOM 238 CA LEU A 15 -3.896 6.642 -3.070 1.00 9.03 C ATOM 239 C LEU A 15 -5.370 6.530 -3.256 1.00 8.59 C ATOM 240 O LEU A 15 -6.123 6.434 -2.288 1.00 7.79 O ATOM 241 CB LEU A 15 -3.200 5.280 -2.907 1.00 11.08 C ATOM 242 CG LEU A 15 -1.664 5.250 -2.832 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.159 3.798 -2.796 1.00 15.27 C ATOM 244 CD2 LEU A 15 -0.993 5.978 -4.008 1.00 15.88 C ATOM 0 H LEU A 15 -4.027 7.204 -1.093 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.429 7.040 -3.971 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.586 4.816 -2.000 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.504 4.649 -3.742 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.393 5.773 -1.915 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.070 3.793 -2.743 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.567 3.292 -1.921 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.481 3.278 -3.698 1.00 15.27 H new ATOM 0 HD21 LEU A 15 0.090 5.923 -3.900 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.289 5.505 -4.945 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.304 7.023 -4.015 1.00 15.88 H new ATOM 256 N GLU A 16 -5.918 6.625 -4.480 1.00 11.04 N ATOM 257 CA GLU A 16 -7.329 6.551 -4.702 1.00 11.50 C ATOM 258 C GLU A 16 -7.645 5.245 -5.345 1.00 10.13 C ATOM 259 O GLU A 16 -7.021 4.981 -6.371 1.00 9.83 O ATOM 260 CB GLU A 16 -7.813 7.642 -5.672 1.00 17.22 C ATOM 261 CG GLU A 16 -9.331 7.775 -5.534 1.00 23.33 C ATOM 262 CD GLU A 16 -9.944 9.009 -6.179 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.485 10.148 -5.895 1.00 28.90 O ATOM 264 OE2 GLU A 16 -10.976 8.873 -6.890 1.00 28.86 O ATOM 0 H GLU A 16 -5.372 6.756 -5.331 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.819 6.674 -3.736 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.327 8.592 -5.447 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.547 7.383 -6.697 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.796 6.891 -5.969 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.583 7.778 -4.473 1.00 23.33 H new ATOM 271 N VAL A 17 -8.396 4.364 -4.661 1.00 8.99 N ATOM 272 CA VAL A 17 -8.530 2.997 -5.058 1.00 8.85 C ATOM 273 C VAL A 17 -9.954 2.578 -4.924 1.00 8.04 C ATOM 274 O VAL A 17 -10.721 3.206 -4.196 1.00 8.99 O ATOM 275 CB VAL A 17 -7.682 2.180 -4.128 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.198 2.088 -4.519 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.745 2.670 -2.672 1.00 10.54 C ATOM 0 H VAL A 17 -8.919 4.604 -3.819 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.219 2.860 -6.094 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.125 1.188 -4.218 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.666 1.478 -3.789 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.109 1.633 -5.505 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.765 3.088 -4.541 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.111 2.040 -2.048 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.395 3.701 -2.620 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.773 2.617 -2.315 1.00 10.54 H new ATOM 287 N GLU A 18 -10.378 1.477 -5.570 1.00 7.29 N ATOM 288 CA GLU A 18 -11.553 0.752 -5.200 1.00 7.08 C ATOM 289 C GLU A 18 -11.142 -0.297 -4.224 1.00 6.45 C ATOM 290 O GLU A 18 -10.098 -0.912 -4.433 1.00 5.28 O ATOM 291 CB GLU A 18 -12.369 0.247 -6.402 1.00 10.28 C ATOM 292 CG GLU A 18 -12.742 1.360 -7.383 1.00 12.65 C ATOM 293 CD GLU A 18 -13.417 0.751 -8.604 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.542 0.223 -8.399 1.00 14.33 O ATOM 295 OE2 GLU A 18 -12.872 0.806 -9.739 1.00 18.17 O ATOM 0 H GLU A 18 -9.889 1.080 -6.373 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.269 1.414 -4.713 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.796 -0.516 -6.928 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.279 -0.231 -6.041 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.410 2.075 -6.903 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.850 1.910 -7.683 1.00 12.65 H new ATOM 302 N PRO A 19 -11.992 -0.780 -3.367 1.00 7.24 N ATOM 303 CA PRO A 19 -11.719 -1.945 -2.577 1.00 7.07 C ATOM 304 C PRO A 19 -11.482 -3.159 -3.407 1.00 6.65 C ATOM 305 O PRO A 19 -10.920 -4.113 -2.871 1.00 6.37 O ATOM 306 CB PRO A 19 -12.836 -2.133 -1.553 1.00 7.61 C ATOM 307 CG PRO A 19 -13.339 -0.688 -1.411 1.00 8.16 C ATOM 308 CD PRO A 19 -13.084 -0.023 -2.774 1.00 7.49 C ATOM 0 HA PRO A 19 -10.783 -1.791 -2.040 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.614 -2.809 -1.909 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.469 -2.538 -0.610 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.399 -0.665 -1.156 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -12.809 -0.165 -0.615 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.974 -0.057 -3.402 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.817 1.027 -2.656 1.00 7.49 H new ATOM 316 N SER A 20 -11.948 -3.291 -4.662 1.00 6.80 N ATOM 317 CA SER A 20 -11.678 -4.343 -5.592 1.00 6.28 C ATOM 318 C SER A 20 -10.276 -4.345 -6.096 1.00 8.45 C ATOM 319 O SER A 20 -9.855 -5.364 -6.642 1.00 7.26 O ATOM 320 CB SER A 20 -12.543 -4.230 -6.859 1.00 8.57 C ATOM 321 OG SER A 20 -13.884 -3.998 -6.456 1.00 11.13 O ATOM 0 H SER A 20 -12.574 -2.592 -5.062 1.00 6.80 H new ATOM 0 HA SER A 20 -11.890 -5.246 -5.020 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.189 -3.415 -7.491 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.475 -5.144 -7.449 1.00 8.57 H new ATOM 0 HG SER A 20 -14.455 -3.921 -7.249 1.00 11.13 H new ATOM 327 N ASP A 21 -9.456 -3.282 -6.015 1.00 7.50 N ATOM 328 CA ASP A 21 -8.098 -3.209 -6.458 1.00 7.70 C ATOM 329 C ASP A 21 -7.278 -4.136 -5.629 1.00 7.08 C ATOM 330 O ASP A 21 -7.520 -4.306 -4.435 1.00 8.11 O ATOM 331 CB ASP A 21 -7.556 -1.772 -6.393 1.00 11.00 C ATOM 332 CG ASP A 21 -8.044 -0.929 -7.563 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.088 -1.380 -8.739 1.00 18.03 O ATOM 334 OD2 ASP A 21 -8.443 0.236 -7.298 1.00 14.36 O ATOM 0 H ASP A 21 -9.770 -2.402 -5.606 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.045 -3.510 -7.504 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.867 -1.309 -5.457 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.466 -1.795 -6.391 1.00 11.00 H new ATOM 339 N THR A 22 -6.249 -4.697 -6.289 1.00 5.37 N ATOM 340 CA THR A 22 -5.322 -5.602 -5.683 1.00 6.01 C ATOM 341 C THR A 22 -4.176 -4.977 -4.965 1.00 8.01 C ATOM 342 O THR A 22 -3.977 -3.766 -5.051 1.00 8.11 O ATOM 343 CB THR A 22 -4.780 -6.636 -6.625 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.187 -6.031 -7.764 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.962 -7.508 -7.081 1.00 9.65 C ATOM 0 H THR A 22 -6.056 -4.516 -7.274 1.00 5.37 H new ATOM 0 HA THR A 22 -5.955 -6.079 -4.935 1.00 6.01 H new ATOM 0 HB THR A 22 -4.015 -7.225 -6.119 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.985 -6.719 -8.432 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.605 -8.274 -7.770 1.00 9.65 H new ATOM 0 HG22 THR A 22 -6.419 -7.984 -6.213 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.701 -6.885 -7.584 1.00 9.65 H new ATOM 353 N ILE A 23 -3.391 -5.822 -4.273 1.00 8.32 N ATOM 354 CA ILE A 23 -2.239 -5.351 -3.568 1.00 9.92 C ATOM 355 C ILE A 23 -1.128 -5.123 -4.535 1.00 10.01 C ATOM 356 O ILE A 23 -0.273 -4.258 -4.350 1.00 8.71 O ATOM 357 CB ILE A 23 -1.871 -6.223 -2.405 1.00 10.78 C ATOM 358 CG1 ILE A 23 -3.094 -6.669 -1.587 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.783 -5.536 -1.563 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.845 -5.492 -0.965 1.00 12.30 C ATOM 0 H ILE A 23 -3.552 -6.827 -4.202 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.474 -4.392 -3.105 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.451 -7.153 -2.788 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.772 -7.229 -2.231 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.771 -7.347 -0.797 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.519 -6.174 -0.719 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.100 -5.365 -2.179 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.158 -4.582 -1.193 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.699 -5.864 -0.399 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.178 -4.946 -0.298 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -4.195 -4.826 -1.754 1.00 12.30 H new ATOM 372 N GLU A 24 -1.228 -5.906 -5.624 1.00 9.54 N ATOM 373 CA GLU A 24 -0.441 -5.697 -6.800 1.00 11.81 C ATOM 374 C GLU A 24 -0.474 -4.299 -7.315 1.00 11.14 C ATOM 375 O GLU A 24 0.512 -3.564 -7.299 1.00 10.62 O ATOM 376 CB GLU A 24 -0.855 -6.558 -8.005 1.00 19.24 C ATOM 377 CG GLU A 24 0.201 -6.655 -9.108 1.00 27.76 C ATOM 378 CD GLU A 24 -0.213 -7.402 -10.368 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.320 -7.121 -10.902 1.00 34.80 O ATOM 380 OE2 GLU A 24 0.596 -8.251 -10.826 1.00 36.51 O ATOM 0 H GLU A 24 -1.867 -6.699 -5.689 1.00 9.54 H new ATOM 0 HA GLU A 24 0.550 -5.970 -6.438 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.089 -7.563 -7.654 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.771 -6.148 -8.431 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.496 -5.644 -9.390 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.084 -7.142 -8.695 1.00 27.76 H new ATOM 387 N ASN A 25 -1.697 -3.847 -7.648 1.00 9.43 N ATOM 388 CA ASN A 25 -2.131 -2.561 -8.098 1.00 10.96 C ATOM 389 C ASN A 25 -1.711 -1.513 -7.126 1.00 9.68 C ATOM 390 O ASN A 25 -1.191 -0.465 -7.506 1.00 9.33 O ATOM 391 CB ASN A 25 -3.652 -2.529 -8.324 1.00 16.78 C ATOM 392 CG ASN A 25 -4.064 -1.341 -9.182 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.543 -0.324 -8.684 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.933 -1.526 -10.523 1.00 24.70 N ATOM 0 H ASN A 25 -2.493 -4.482 -7.591 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.658 -2.356 -9.059 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.969 -3.454 -8.806 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.163 -2.479 -7.362 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.240 -0.800 -11.170 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.528 -2.391 -10.881 1.00 24.70 H new ATOM 401 N VAL A 26 -1.898 -1.717 -5.810 1.00 6.52 N ATOM 402 CA VAL A 26 -1.585 -0.723 -4.831 1.00 5.53 C ATOM 403 C VAL A 26 -0.147 -0.333 -4.831 1.00 4.42 C ATOM 404 O VAL A 26 0.188 0.844 -4.951 1.00 3.40 O ATOM 405 CB VAL A 26 -2.018 -1.133 -3.454 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.523 -0.250 -2.296 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.544 -0.989 -3.577 1.00 8.12 C ATOM 0 H VAL A 26 -2.271 -2.583 -5.420 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.156 0.159 -5.122 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.619 -2.115 -3.199 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.899 -0.644 -1.352 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.433 -0.248 -2.280 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.886 0.769 -2.434 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.012 -1.259 -2.631 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.793 0.043 -3.824 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.909 -1.649 -4.364 1.00 8.12 H new ATOM 417 N LYS A 27 0.693 -1.382 -4.784 1.00 2.64 N ATOM 418 CA LYS A 27 2.119 -1.292 -4.843 1.00 4.14 C ATOM 419 C LYS A 27 2.549 -0.729 -6.154 1.00 5.58 C ATOM 420 O LYS A 27 3.506 0.031 -6.296 1.00 4.11 O ATOM 421 CB LYS A 27 2.704 -2.702 -4.658 1.00 3.97 C ATOM 422 CG LYS A 27 2.793 -3.183 -3.208 1.00 7.45 C ATOM 423 CD LYS A 27 3.148 -4.669 -3.118 1.00 9.02 C ATOM 424 CE LYS A 27 3.338 -5.178 -1.688 1.00 12.90 C ATOM 425 NZ LYS A 27 3.851 -6.565 -1.752 1.00 15.47 N ATOM 0 H LYS A 27 0.360 -2.343 -4.701 1.00 2.64 H new ATOM 0 HA LYS A 27 2.479 -0.631 -4.055 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.095 -3.408 -5.222 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.703 -2.724 -5.094 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.544 -2.598 -2.677 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.840 -3.007 -2.708 1.00 7.45 H new ATOM 0 HD2 LYS A 27 2.360 -5.250 -3.598 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.064 -4.848 -3.681 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.037 -4.539 -1.147 1.00 12.90 H new ATOM 0 HE3 LYS A 27 2.393 -5.147 -1.145 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 3.733 -7.022 -0.825 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 3.321 -7.098 -2.471 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.860 -6.551 -2.005 1.00 15.47 H new ATOM 439 N ALA A 28 1.895 -1.048 -7.285 1.00 6.61 N ATOM 440 CA ALA A 28 2.240 -0.419 -8.522 1.00 7.74 C ATOM 441 C ALA A 28 2.007 1.052 -8.545 1.00 9.17 C ATOM 442 O ALA A 28 2.642 1.783 -9.304 1.00 11.45 O ATOM 443 CB ALA A 28 1.635 -1.148 -9.734 1.00 7.68 C ATOM 0 H ALA A 28 1.139 -1.730 -7.344 1.00 6.61 H new ATOM 0 HA ALA A 28 3.322 -0.520 -8.606 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.925 -0.633 -10.650 1.00 7.68 H new ATOM 0 HB2 ALA A 28 2.003 -2.174 -9.762 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.548 -1.154 -9.650 1.00 7.68 H new ATOM 449 N LYS A 29 1.276 1.633 -7.576 1.00 8.96 N ATOM 450 CA LYS A 29 1.203 3.052 -7.413 1.00 7.90 C ATOM 451 C LYS A 29 2.335 3.723 -6.715 1.00 6.92 C ATOM 452 O LYS A 29 2.850 4.681 -7.291 1.00 6.87 O ATOM 453 CB LYS A 29 -0.139 3.462 -6.783 1.00 10.28 C ATOM 454 CG LYS A 29 -1.284 2.615 -7.343 1.00 14.94 C ATOM 455 CD LYS A 29 -2.725 2.938 -6.944 1.00 19.69 C ATOM 456 CE LYS A 29 -3.304 3.757 -8.100 1.00 22.63 C ATOM 457 NZ LYS A 29 -4.780 3.841 -8.024 1.00 24.98 N ATOM 0 H LYS A 29 0.727 1.109 -6.895 1.00 8.96 H new ATOM 0 HA LYS A 29 1.285 3.420 -8.436 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.089 3.344 -5.701 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.331 4.517 -6.980 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.227 2.667 -8.430 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -1.092 1.579 -7.062 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.300 2.026 -6.784 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -2.756 3.502 -6.012 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -2.881 4.761 -8.083 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.013 3.305 -9.048 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.145 4.315 -8.875 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.180 2.883 -7.963 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.054 4.385 -7.181 1.00 24.98 H new ATOM 471 N ILE A 30 2.727 3.190 -5.544 1.00 4.57 N ATOM 472 CA ILE A 30 3.881 3.561 -4.785 1.00 5.58 C ATOM 473 C ILE A 30 5.149 3.363 -5.541 1.00 7.26 C ATOM 474 O ILE A 30 6.117 4.123 -5.545 1.00 9.46 O ATOM 475 CB ILE A 30 3.940 2.780 -3.506 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.610 2.835 -2.736 1.00 2.94 C ATOM 477 CG2 ILE A 30 5.036 3.275 -2.547 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.365 1.632 -1.826 1.00 2.00 C ATOM 0 H ILE A 30 2.196 2.444 -5.095 1.00 4.57 H new ATOM 0 HA ILE A 30 3.783 4.625 -4.569 1.00 5.58 H new ATOM 0 HB ILE A 30 4.162 1.761 -3.821 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.589 3.743 -2.133 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.791 2.908 -3.452 1.00 2.94 H new ATOM 0 HG21 ILE A 30 5.027 2.670 -1.641 1.00 2.78 H new ATOM 0 HG22 ILE A 30 6.009 3.189 -3.031 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.850 4.317 -2.289 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.407 1.748 -1.320 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.352 0.721 -2.424 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.162 1.568 -1.085 1.00 2.00 H new ATOM 490 N GLN A 31 5.166 2.370 -6.448 1.00 7.06 N ATOM 491 CA GLN A 31 6.242 2.132 -7.359 1.00 8.67 C ATOM 492 C GLN A 31 6.429 3.116 -8.462 1.00 10.90 C ATOM 493 O GLN A 31 7.477 3.725 -8.670 1.00 9.63 O ATOM 494 CB GLN A 31 5.990 0.799 -8.084 1.00 9.12 C ATOM 495 CG GLN A 31 6.972 0.379 -9.180 1.00 10.76 C ATOM 496 CD GLN A 31 6.584 -0.995 -9.707 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.873 -1.737 -9.030 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.123 -1.297 -10.919 1.00 14.76 N ATOM 0 H GLN A 31 4.399 1.706 -6.551 1.00 7.06 H new ATOM 0 HA GLN A 31 7.123 2.176 -6.719 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.970 0.009 -7.333 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.995 0.843 -8.527 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.963 1.108 -9.991 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.987 0.355 -8.784 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.702 -0.612 -11.405 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.948 -2.209 -11.342 1.00 14.76 H new ATOM 507 N ASP A 32 5.302 3.515 -9.078 1.00 10.93 N ATOM 508 CA ASP A 32 5.213 4.726 -9.833 1.00 14.01 C ATOM 509 C ASP A 32 5.568 6.000 -9.147 1.00 14.04 C ATOM 510 O ASP A 32 6.336 6.823 -9.643 1.00 13.39 O ATOM 511 CB ASP A 32 3.838 4.747 -10.521 1.00 18.01 C ATOM 512 CG ASP A 32 3.715 5.942 -11.455 1.00 24.33 C ATOM 513 OD1 ASP A 32 4.675 6.155 -12.243 1.00 25.17 O ATOM 514 OD2 ASP A 32 2.653 6.615 -11.538 1.00 26.29 O ATOM 0 H ASP A 32 4.432 2.983 -9.051 1.00 10.93 H new ATOM 0 HA ASP A 32 6.018 4.696 -10.567 1.00 14.01 H new ATOM 0 HB2 ASP A 32 3.695 3.825 -11.084 1.00 18.01 H new ATOM 0 HB3 ASP A 32 3.051 4.787 -9.768 1.00 18.01 H new ATOM 519 N LYS A 33 5.050 6.317 -7.947 1.00 14.22 N ATOM 520 CA LYS A 33 5.354 7.580 -7.348 1.00 14.00 C ATOM 521 C LYS A 33 6.694 7.561 -6.697 1.00 12.37 C ATOM 522 O LYS A 33 7.634 8.133 -7.247 1.00 12.17 O ATOM 523 CB LYS A 33 4.271 7.960 -6.325 1.00 18.62 C ATOM 524 CG LYS A 33 2.917 8.166 -7.007 1.00 24.00 C ATOM 525 CD LYS A 33 1.883 8.382 -5.901 1.00 27.61 C ATOM 526 CE LYS A 33 0.473 8.312 -6.492 1.00 27.64 C ATOM 527 NZ LYS A 33 0.048 9.369 -7.437 1.00 30.06 N ATOM 0 H LYS A 33 4.434 5.714 -7.401 1.00 14.22 H new ATOM 0 HA LYS A 33 5.374 8.330 -8.139 1.00 14.00 H new ATOM 0 HB2 LYS A 33 4.187 7.177 -5.572 1.00 18.62 H new ATOM 0 HB3 LYS A 33 4.562 8.872 -5.805 1.00 18.62 H new ATOM 0 HG2 LYS A 33 2.950 9.026 -7.676 1.00 24.00 H new ATOM 0 HG3 LYS A 33 2.656 7.299 -7.614 1.00 24.00 H new ATOM 0 HD2 LYS A 33 2.001 7.624 -5.126 1.00 27.61 H new ATOM 0 HD3 LYS A 33 2.041 9.350 -5.426 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.375 7.353 -7.001 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.234 8.306 -5.662 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.927 9.184 -7.749 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.091 10.295 -6.965 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.681 9.372 -8.262 1.00 30.06 H new ATOM 541 N GLU A 34 6.872 6.920 -5.528 1.00 10.11 N ATOM 542 CA GLU A 34 8.080 6.957 -4.763 1.00 10.07 C ATOM 543 C GLU A 34 9.244 6.324 -5.445 1.00 9.32 C ATOM 544 O GLU A 34 10.358 6.839 -5.366 1.00 11.61 O ATOM 545 CB GLU A 34 7.811 6.273 -3.412 1.00 14.77 C ATOM 546 CG GLU A 34 6.647 6.956 -2.691 1.00 18.75 C ATOM 547 CD GLU A 34 6.799 8.403 -2.243 1.00 22.28 C ATOM 548 OE1 GLU A 34 7.207 8.588 -1.066 1.00 21.95 O ATOM 549 OE2 GLU A 34 6.416 9.370 -2.953 1.00 25.19 O ATOM 0 H GLU A 34 6.143 6.352 -5.097 1.00 10.11 H new ATOM 0 HA GLU A 34 8.358 8.002 -4.630 1.00 10.07 H new ATOM 0 HB2 GLU A 34 7.581 5.219 -3.570 1.00 14.77 H new ATOM 0 HB3 GLU A 34 8.706 6.315 -2.791 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.779 6.905 -3.348 1.00 18.75 H new ATOM 0 HG3 GLU A 34 6.414 6.362 -1.808 1.00 18.75 H new ATOM 556 N GLY A 35 9.047 5.153 -6.077 1.00 7.22 N ATOM 557 CA GLY A 35 10.020 4.390 -6.795 1.00 6.29 C ATOM 558 C GLY A 35 10.638 3.444 -5.823 1.00 6.93 C ATOM 559 O GLY A 35 11.797 3.572 -5.430 1.00 7.41 O ATOM 0 H GLY A 35 8.131 4.705 -6.085 1.00 7.22 H new ATOM 0 HA2 GLY A 35 9.554 3.848 -7.618 1.00 6.29 H new ATOM 0 HA3 GLY A 35 10.776 5.043 -7.231 1.00 6.29 H new ATOM 563 N ILE A 36 9.796 2.482 -5.405 1.00 5.86 N ATOM 564 CA ILE A 36 10.210 1.433 -4.526 1.00 6.07 C ATOM 565 C ILE A 36 9.828 0.126 -5.131 1.00 6.36 C ATOM 566 O ILE A 36 8.716 0.002 -5.642 1.00 6.18 O ATOM 567 CB ILE A 36 9.621 1.487 -3.148 1.00 7.47 C ATOM 568 CG1 ILE A 36 10.005 2.813 -2.471 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.141 0.324 -2.286 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.925 3.237 -1.477 1.00 9.49 C ATOM 0 H ILE A 36 8.815 2.431 -5.681 1.00 5.86 H new ATOM 0 HA ILE A 36 11.287 1.556 -4.409 1.00 6.07 H new ATOM 0 HB ILE A 36 8.538 1.409 -3.238 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.959 2.702 -1.956 1.00 8.52 H new ATOM 0 HG13 ILE A 36 10.138 3.588 -3.225 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.700 0.383 -1.291 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.865 -0.624 -2.749 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.226 0.387 -2.207 1.00 7.36 H new ATOM 0 HD11 ILE A 36 9.212 4.177 -1.007 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.979 3.368 -2.002 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.812 2.468 -0.712 1.00 9.49 H new ATOM 582 N PRO A 37 10.719 -0.813 -5.254 1.00 8.65 N ATOM 583 CA PRO A 37 10.349 -2.013 -5.946 1.00 9.18 C ATOM 584 C PRO A 37 9.318 -2.842 -5.262 1.00 9.85 C ATOM 585 O PRO A 37 9.430 -2.882 -4.038 1.00 8.51 O ATOM 586 CB PRO A 37 11.672 -2.765 -6.077 1.00 11.42 C ATOM 587 CG PRO A 37 12.764 -1.693 -5.928 1.00 9.27 C ATOM 588 CD PRO A 37 12.115 -0.815 -4.846 1.00 8.33 C ATOM 0 HA PRO A 37 9.870 -1.778 -6.896 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.766 -3.532 -5.308 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.744 -3.269 -7.041 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.720 -2.110 -5.611 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.946 -1.149 -6.855 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.248 -1.233 -3.848 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.536 0.190 -4.829 1.00 8.33 H new ATOM 596 N PRO A 38 8.398 -3.491 -5.913 1.00 8.71 N ATOM 597 CA PRO A 38 7.216 -4.005 -5.284 1.00 9.08 C ATOM 598 C PRO A 38 7.498 -5.118 -4.335 1.00 9.28 C ATOM 599 O PRO A 38 6.605 -5.407 -3.539 1.00 6.50 O ATOM 600 CB PRO A 38 6.356 -4.344 -6.500 1.00 10.31 C ATOM 601 CG PRO A 38 7.318 -4.641 -7.662 1.00 10.81 C ATOM 602 CD PRO A 38 8.410 -3.602 -7.364 1.00 12.00 C ATOM 0 HA PRO A 38 6.708 -3.316 -4.610 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.721 -5.206 -6.295 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.695 -3.513 -6.749 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.696 -5.663 -7.641 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.854 -4.493 -8.637 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.383 -3.928 -7.732 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.193 -2.646 -7.840 1.00 12.00 H new ATOM 610 N ASP A 39 8.670 -5.776 -4.305 1.00 11.20 N ATOM 611 CA ASP A 39 8.969 -6.852 -3.412 1.00 14.96 C ATOM 612 C ASP A 39 9.696 -6.344 -2.215 1.00 13.99 C ATOM 613 O ASP A 39 9.762 -6.973 -1.161 1.00 13.75 O ATOM 614 CB ASP A 39 9.711 -8.006 -4.108 1.00 24.16 C ATOM 615 CG ASP A 39 11.087 -7.603 -4.618 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.362 -6.412 -4.924 1.00 35.55 O ATOM 617 OD2 ASP A 39 11.949 -8.518 -4.714 1.00 34.22 O ATOM 0 H ASP A 39 9.443 -5.548 -4.930 1.00 11.20 H new ATOM 0 HA ASP A 39 8.025 -7.278 -3.073 1.00 14.96 H new ATOM 0 HB2 ASP A 39 9.817 -8.837 -3.410 1.00 24.16 H new ATOM 0 HB3 ASP A 39 9.110 -8.366 -4.943 1.00 24.16 H new ATOM 622 N GLN A 40 10.338 -5.171 -2.364 1.00 11.60 N ATOM 623 CA GLN A 40 10.814 -4.365 -1.283 1.00 10.76 C ATOM 624 C GLN A 40 9.714 -3.703 -0.526 1.00 8.01 C ATOM 625 O GLN A 40 9.869 -3.544 0.684 1.00 8.96 O ATOM 626 CB GLN A 40 12.034 -3.476 -1.575 1.00 11.14 C ATOM 627 CG GLN A 40 13.310 -4.221 -1.972 1.00 14.85 C ATOM 628 CD GLN A 40 14.501 -3.287 -2.134 1.00 16.11 C ATOM 629 OE1 GLN A 40 15.201 -3.233 -3.144 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.757 -2.529 -1.034 1.00 18.16 N ATOM 0 H GLN A 40 10.534 -4.767 -3.280 1.00 11.60 H new ATOM 0 HA GLN A 40 11.251 -5.087 -0.593 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.774 -2.783 -2.376 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.245 -2.876 -0.690 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.540 -4.971 -1.215 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.140 -4.754 -2.907 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.154 -2.600 -0.214 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.551 -1.889 -1.029 1.00 18.16 H new ATOM 639 N GLN A 41 8.529 -3.520 -1.134 1.00 6.52 N ATOM 640 CA GLN A 41 7.383 -2.980 -0.471 1.00 3.87 C ATOM 641 C GLN A 41 6.839 -4.132 0.302 1.00 4.79 C ATOM 642 O GLN A 41 6.467 -5.193 -0.198 1.00 6.34 O ATOM 643 CB GLN A 41 6.300 -2.427 -1.412 1.00 4.20 C ATOM 644 CG GLN A 41 6.778 -1.186 -2.168 1.00 3.20 C ATOM 645 CD GLN A 41 5.694 -0.682 -3.110 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.517 -0.418 -2.867 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.082 -0.626 -4.412 1.00 7.13 N ATOM 0 H GLN A 41 8.363 -3.754 -2.113 1.00 6.52 H new ATOM 0 HA GLN A 41 7.674 -2.121 0.134 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.012 -3.198 -2.126 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.410 -2.179 -0.834 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.045 -0.402 -1.459 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.678 -1.423 -2.735 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.047 -0.836 -4.666 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.408 -0.374 -5.135 1.00 7.13 H new ATOM 656 N ARG A 42 6.730 -3.827 1.607 1.00 5.73 N ATOM 657 CA ARG A 42 5.884 -4.388 2.614 1.00 6.97 C ATOM 658 C ARG A 42 4.857 -3.387 3.022 1.00 7.15 C ATOM 659 O ARG A 42 5.221 -2.344 3.562 1.00 7.33 O ATOM 660 CB ARG A 42 6.768 -4.732 3.825 1.00 13.23 C ATOM 661 CG ARG A 42 7.832 -5.803 3.580 1.00 21.27 C ATOM 662 CD ARG A 42 8.593 -6.259 4.827 1.00 26.14 C ATOM 663 NE ARG A 42 7.623 -6.845 5.795 1.00 32.26 N ATOM 664 CZ ARG A 42 7.574 -6.574 7.132 1.00 34.32 C ATOM 665 NH1 ARG A 42 8.541 -5.782 7.682 1.00 35.30 N ATOM 666 NH2 ARG A 42 6.721 -7.202 7.993 1.00 36.39 N ATOM 0 H ARG A 42 7.314 -3.090 2.003 1.00 5.73 H new ATOM 0 HA ARG A 42 5.379 -5.277 2.237 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.264 -3.822 4.161 1.00 13.23 H new ATOM 0 HB3 ARG A 42 6.125 -5.063 4.640 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.354 -6.672 3.127 1.00 21.27 H new ATOM 0 HG3 ARG A 42 8.550 -5.421 2.855 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.350 -6.996 4.559 1.00 26.14 H new ATOM 0 HD3 ARG A 42 9.115 -5.416 5.280 1.00 26.14 H new ATOM 0 HE ARG A 42 6.937 -7.505 5.427 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.285 -5.403 7.095 1.00 35.30 H new ATOM 0 HH12 ARG A 42 8.520 -5.569 8.679 1.00 35.30 H new ATOM 0 HH21 ARG A 42 6.078 -7.913 7.646 1.00 36.39 H new ATOM 0 HH22 ARG A 42 6.727 -6.960 8.984 1.00 36.39 H new ATOM 680 N LEU A 43 3.557 -3.707 2.899 1.00 4.65 N ATOM 681 CA LEU A 43 2.438 -2.898 3.271 1.00 3.51 C ATOM 682 C LEU A 43 1.784 -3.620 4.398 1.00 5.56 C ATOM 683 O LEU A 43 1.669 -4.841 4.490 1.00 4.19 O ATOM 684 CB LEU A 43 1.451 -2.732 2.103 1.00 3.74 C ATOM 685 CG LEU A 43 2.076 -1.997 0.905 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.156 -2.146 -0.319 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.387 -0.577 1.407 1.00 9.55 C ATOM 0 H LEU A 43 3.267 -4.603 2.508 1.00 4.65 H new ATOM 0 HA LEU A 43 2.756 -1.894 3.551 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.104 -3.714 1.782 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.575 -2.181 2.447 1.00 3.74 H new ATOM 0 HG LEU A 43 3.018 -2.407 0.541 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.596 -1.626 -1.170 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.039 -3.203 -0.560 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.180 -1.715 -0.095 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.836 0.004 0.601 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.464 -0.095 1.731 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.081 -0.631 2.245 1.00 9.55 H new ATOM 699 N ILE A 44 1.504 -2.781 5.411 1.00 4.58 N ATOM 700 CA ILE A 44 1.211 -3.291 6.715 1.00 5.55 C ATOM 701 C ILE A 44 -0.046 -2.587 7.096 1.00 5.46 C ATOM 702 O ILE A 44 -0.095 -1.362 7.191 1.00 6.04 O ATOM 703 CB ILE A 44 2.376 -3.130 7.645 1.00 6.80 C ATOM 704 CG1 ILE A 44 3.642 -3.750 7.030 1.00 10.31 C ATOM 705 CG2 ILE A 44 1.968 -3.656 9.031 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.631 -5.276 6.955 1.00 13.90 C ATOM 0 H ILE A 44 1.480 -1.764 5.331 1.00 4.58 H new ATOM 0 HA ILE A 44 1.052 -4.369 6.756 1.00 5.55 H new ATOM 0 HB ILE A 44 2.645 -2.084 7.791 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.774 -3.351 6.024 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.506 -3.434 7.615 1.00 10.31 H new ATOM 0 HG21 ILE A 44 2.804 -3.547 9.722 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.115 -3.086 9.400 1.00 7.39 H new ATOM 0 HG23 ILE A 44 1.695 -4.709 8.955 1.00 7.39 H new ATOM 0 HD11 ILE A 44 4.562 -5.625 6.508 1.00 13.90 H new ATOM 0 HD12 ILE A 44 3.533 -5.689 7.959 1.00 13.90 H new ATOM 0 HD13 ILE A 44 2.790 -5.604 6.344 1.00 13.90 H new ATOM 718 N PHE A 45 -1.124 -3.353 7.340 1.00 6.75 N ATOM 719 CA PHE A 45 -2.259 -2.964 8.118 1.00 4.70 C ATOM 720 C PHE A 45 -2.106 -3.405 9.533 1.00 6.34 C ATOM 721 O PHE A 45 -2.172 -4.594 9.838 1.00 5.45 O ATOM 722 CB PHE A 45 -3.596 -3.406 7.498 1.00 5.51 C ATOM 723 CG PHE A 45 -4.819 -3.025 8.259 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.144 -1.694 8.377 1.00 6.86 C ATOM 725 CD2 PHE A 45 -5.550 -3.941 8.979 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.096 -1.316 9.294 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.435 -3.568 9.963 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.737 -2.233 10.093 1.00 6.84 C ATOM 0 H PHE A 45 -1.208 -4.301 6.972 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.294 -1.875 8.115 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.668 -2.983 6.496 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.583 -4.490 7.387 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.658 -0.955 7.757 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -5.424 -4.992 8.764 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.347 -0.270 9.389 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.881 -4.304 10.616 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.471 -1.908 10.816 1.00 6.84 H new ATOM 738 N ALA A 46 -1.877 -2.505 10.506 1.00 6.53 N ATOM 739 CA ALA A 46 -1.713 -2.776 11.900 1.00 7.15 C ATOM 740 C ALA A 46 -0.536 -3.651 12.167 1.00 9.00 C ATOM 741 O ALA A 46 0.535 -3.159 12.516 1.00 11.15 O ATOM 742 CB ALA A 46 -3.085 -3.237 12.420 1.00 8.99 C ATOM 0 H ALA A 46 -1.801 -1.509 10.299 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.438 -1.894 12.479 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -3.015 -3.458 13.485 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.819 -2.447 12.261 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -3.395 -4.133 11.883 1.00 8.99 H new ATOM 748 N GLY A 47 -0.677 -4.986 12.082 1.00 9.35 N ATOM 749 CA GLY A 47 0.382 -5.945 12.027 1.00 11.68 C ATOM 750 C GLY A 47 -0.007 -7.114 11.188 1.00 11.14 C ATOM 751 O GLY A 47 0.390 -8.254 11.422 1.00 13.93 O ATOM 0 H GLY A 47 -1.597 -5.425 12.049 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.279 -5.480 11.618 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.628 -6.280 13.035 1.00 11.68 H new ATOM 755 N LYS A 48 -0.756 -6.885 10.095 1.00 10.47 N ATOM 756 CA LYS A 48 -0.946 -7.771 8.989 1.00 8.82 C ATOM 757 C LYS A 48 -0.254 -7.332 7.745 1.00 7.68 C ATOM 758 O LYS A 48 -0.591 -6.266 7.231 1.00 6.47 O ATOM 759 CB LYS A 48 -2.456 -7.748 8.696 1.00 9.74 C ATOM 760 CG LYS A 48 -3.374 -8.203 9.833 1.00 14.14 C ATOM 761 CD LYS A 48 -4.773 -8.517 9.299 1.00 16.32 C ATOM 762 CE LYS A 48 -5.724 -8.751 10.475 1.00 20.04 C ATOM 763 NZ LYS A 48 -7.068 -9.078 9.951 1.00 23.92 N ATOM 0 H LYS A 48 -1.268 -6.011 9.977 1.00 10.47 H new ATOM 0 HA LYS A 48 -0.542 -8.748 9.254 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -2.735 -6.732 8.417 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -2.646 -8.380 7.829 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -2.955 -9.087 10.315 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -3.435 -7.424 10.593 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -5.133 -7.692 8.684 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -4.741 -9.400 8.661 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -5.356 -9.564 11.101 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -5.771 -7.862 11.103 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -7.720 -9.239 10.745 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -7.416 -8.288 9.371 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -7.014 -9.938 9.368 1.00 23.92 H new ATOM 777 N GLN A 49 0.634 -8.085 7.072 1.00 8.89 N ATOM 778 CA GLN A 49 1.066 -7.770 5.745 1.00 7.18 C ATOM 779 C GLN A 49 0.054 -8.257 4.767 1.00 8.23 C ATOM 780 O GLN A 49 -0.436 -9.375 4.917 1.00 9.70 O ATOM 781 CB GLN A 49 2.392 -8.475 5.411 1.00 11.67 C ATOM 782 CG GLN A 49 2.998 -8.259 4.023 1.00 15.82 C ATOM 783 CD GLN A 49 4.406 -8.835 4.067 1.00 20.21 C ATOM 784 OE1 GLN A 49 5.300 -8.110 4.502 1.00 23.23 O ATOM 785 NE2 GLN A 49 4.604 -10.120 3.669 1.00 20.67 N ATOM 0 H GLN A 49 1.060 -8.928 7.456 1.00 8.89 H new ATOM 0 HA GLN A 49 1.195 -6.689 5.687 1.00 7.18 H new ATOM 0 HB2 GLN A 49 3.130 -8.161 6.149 1.00 11.67 H new ATOM 0 HB3 GLN A 49 2.242 -9.546 5.545 1.00 11.67 H new ATOM 0 HG2 GLN A 49 2.400 -8.755 3.258 1.00 15.82 H new ATOM 0 HG3 GLN A 49 3.021 -7.199 3.771 1.00 15.82 H new ATOM 0 HE21 GLN A 49 3.821 -10.671 3.317 1.00 20.67 H new ATOM 0 HE22 GLN A 49 5.535 -10.533 3.723 1.00 20.67 H new ATOM 794 N LEU A 50 -0.267 -7.419 3.765 1.00 6.51 N ATOM 795 CA LEU A 50 -1.208 -7.710 2.728 1.00 7.41 C ATOM 796 C LEU A 50 -0.549 -8.405 1.586 1.00 8.27 C ATOM 797 O LEU A 50 0.497 -7.983 1.096 1.00 8.34 O ATOM 798 CB LEU A 50 -1.835 -6.367 2.316 1.00 7.13 C ATOM 799 CG LEU A 50 -2.468 -5.550 3.455 1.00 7.53 C ATOM 800 CD1 LEU A 50 -3.204 -6.413 4.493 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.474 -4.557 4.080 1.00 8.14 C ATOM 0 H LEU A 50 0.150 -6.493 3.674 1.00 6.51 H new ATOM 0 HA LEU A 50 -1.984 -8.393 3.074 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -1.066 -5.758 1.841 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -2.599 -6.559 1.563 1.00 7.13 H new ATOM 0 HG LEU A 50 -3.250 -4.947 2.994 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -3.625 -5.771 5.267 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -4.006 -6.966 4.004 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.503 -7.115 4.946 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.967 -4.003 4.879 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -0.623 -5.102 4.488 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.127 -3.861 3.317 1.00 8.14 H new ATOM 813 N GLU A 51 -1.153 -9.546 1.209 1.00 9.43 N ATOM 814 CA GLU A 51 -0.665 -10.387 0.160 1.00 11.90 C ATOM 815 C GLU A 51 -0.932 -9.975 -1.247 1.00 11.49 C ATOM 816 O GLU A 51 -2.054 -9.584 -1.565 1.00 9.88 O ATOM 817 CB GLU A 51 -1.152 -11.801 0.518 1.00 16.56 C ATOM 818 CG GLU A 51 -0.704 -12.932 -0.410 1.00 26.06 C ATOM 819 CD GLU A 51 0.805 -13.106 -0.314 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.337 -13.663 0.683 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.484 -12.729 -1.306 1.00 32.13 O ATOM 0 H GLU A 51 -2.006 -9.894 1.647 1.00 9.43 H new ATOM 0 HA GLU A 51 0.422 -10.315 0.131 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.813 -12.033 1.528 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -2.242 -11.791 0.542 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -1.205 -13.860 -0.136 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.989 -12.707 -1.438 1.00 26.06 H new ATOM 828 N ASP A 52 0.016 -9.977 -2.202 1.00 12.71 N ATOM 829 CA ASP A 52 -0.031 -9.401 -3.510 1.00 16.56 C ATOM 830 C ASP A 52 -1.237 -9.716 -4.327 1.00 15.83 C ATOM 831 O ASP A 52 -1.762 -8.799 -4.956 1.00 17.21 O ATOM 832 CB ASP A 52 1.173 -9.991 -4.263 1.00 21.05 C ATOM 833 CG ASP A 52 2.448 -9.368 -3.712 1.00 25.12 C ATOM 834 OD1 ASP A 52 2.595 -8.117 -3.690 1.00 28.37 O ATOM 835 OD2 ASP A 52 3.309 -10.108 -3.166 1.00 25.82 O ATOM 0 H ASP A 52 0.913 -10.434 -2.035 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.038 -8.319 -3.376 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.200 -11.074 -4.143 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.086 -9.791 -5.331 1.00 21.05 H new ATOM 840 N GLY A 53 -1.695 -10.979 -4.390 1.00 15.00 N ATOM 841 CA GLY A 53 -2.697 -11.381 -5.326 1.00 11.77 C ATOM 842 C GLY A 53 -4.074 -11.294 -4.763 1.00 11.10 C ATOM 843 O GLY A 53 -5.045 -11.611 -5.447 1.00 11.25 O ATOM 0 H GLY A 53 -1.366 -11.730 -3.784 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.631 -10.754 -6.215 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.502 -12.405 -5.644 1.00 11.77 H new ATOM 847 N ARG A 54 -4.324 -10.796 -3.539 1.00 8.53 N ATOM 848 CA ARG A 54 -5.555 -10.658 -2.823 1.00 9.05 C ATOM 849 C ARG A 54 -6.095 -9.286 -3.034 1.00 8.96 C ATOM 850 O ARG A 54 -5.428 -8.417 -3.595 1.00 11.60 O ATOM 851 CB ARG A 54 -5.585 -11.128 -1.358 1.00 7.97 C ATOM 852 CG ARG A 54 -4.716 -12.372 -1.169 1.00 9.62 C ATOM 853 CD ARG A 54 -5.063 -13.015 0.176 1.00 12.20 C ATOM 854 NE ARG A 54 -4.085 -14.137 0.230 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.994 -14.874 1.375 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.763 -14.569 2.461 1.00 23.38 N ATOM 857 NH2 ARG A 54 -3.211 -15.992 1.413 1.00 25.50 N ATOM 0 H ARG A 54 -3.550 -10.442 -2.977 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.231 -11.392 -3.261 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -5.230 -10.329 -0.708 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -6.611 -11.347 -1.063 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -4.887 -13.079 -1.981 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.660 -12.103 -1.198 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.937 -12.321 1.007 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -6.094 -13.368 0.208 1.00 12.20 H new ATOM 0 HE ARG A 54 -3.494 -14.351 -0.574 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -5.413 -13.784 2.421 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.687 -15.126 3.312 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -2.691 -16.279 0.584 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -3.146 -16.540 2.271 1.00 25.50 H new ATOM 871 N THR A 55 -7.368 -9.017 -2.693 1.00 9.05 N ATOM 872 CA THR A 55 -7.992 -7.744 -2.882 1.00 9.03 C ATOM 873 C THR A 55 -7.799 -6.986 -1.613 1.00 8.15 C ATOM 874 O THR A 55 -7.526 -7.501 -0.531 1.00 5.91 O ATOM 875 CB THR A 55 -9.457 -7.819 -3.194 1.00 11.15 C ATOM 876 OG1 THR A 55 -10.184 -8.561 -2.226 1.00 11.95 O ATOM 877 CG2 THR A 55 -9.558 -8.406 -4.612 1.00 11.71 C ATOM 0 H THR A 55 -7.985 -9.711 -2.271 1.00 9.05 H new ATOM 0 HA THR A 55 -7.534 -7.263 -3.746 1.00 9.03 H new ATOM 0 HB THR A 55 -9.918 -6.832 -3.157 1.00 11.15 H new ATOM 0 HG1 THR A 55 -11.132 -8.579 -2.473 1.00 11.95 H new ATOM 0 HG21 THR A 55 -10.607 -8.486 -4.899 1.00 11.71 H new ATOM 0 HG22 THR A 55 -9.039 -7.753 -5.314 1.00 11.71 H new ATOM 0 HG23 THR A 55 -9.100 -9.395 -4.630 1.00 11.71 H new ATOM 885 N LEU A 56 -7.840 -5.642 -1.656 1.00 6.91 N ATOM 886 CA LEU A 56 -7.986 -4.823 -0.493 1.00 8.29 C ATOM 887 C LEU A 56 -9.129 -5.216 0.377 1.00 8.05 C ATOM 888 O LEU A 56 -9.018 -5.248 1.602 1.00 10.17 O ATOM 889 CB LEU A 56 -8.243 -3.365 -0.909 1.00 6.60 C ATOM 890 CG LEU A 56 -7.013 -2.648 -1.491 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.463 -1.324 -2.130 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.841 -2.398 -0.527 1.00 9.85 C ATOM 0 H LEU A 56 -7.770 -5.110 -2.524 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.057 -4.947 0.064 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.044 -3.346 -1.648 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.597 -2.809 -0.041 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.602 -3.342 -2.225 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.598 -0.808 -2.546 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.180 -1.529 -2.925 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.931 -0.695 -1.373 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.037 -1.887 -1.057 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.179 -1.779 0.304 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.475 -3.351 -0.144 1.00 9.85 H new ATOM 904 N SER A 57 -10.288 -5.473 -0.255 1.00 8.92 N ATOM 905 CA SER A 57 -11.537 -5.816 0.351 1.00 9.00 C ATOM 906 C SER A 57 -11.334 -7.034 1.185 1.00 9.44 C ATOM 907 O SER A 57 -11.969 -7.186 2.227 1.00 10.91 O ATOM 908 CB SER A 57 -12.662 -6.012 -0.679 1.00 10.32 C ATOM 909 OG SER A 57 -13.965 -6.174 -0.138 1.00 13.59 O ATOM 0 H SER A 57 -10.355 -5.438 -1.272 1.00 8.92 H new ATOM 0 HA SER A 57 -11.864 -4.987 0.979 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.670 -5.153 -1.350 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.428 -6.887 -1.285 1.00 10.32 H new ATOM 0 HG SER A 57 -14.610 -6.290 -0.867 1.00 13.59 H new ATOM 915 N ASP A 58 -10.496 -8.005 0.777 1.00 9.11 N ATOM 916 CA ASP A 58 -10.521 -9.268 1.446 1.00 7.91 C ATOM 917 C ASP A 58 -10.100 -9.193 2.874 1.00 9.12 C ATOM 918 O ASP A 58 -10.673 -9.775 3.794 1.00 8.61 O ATOM 919 CB ASP A 58 -9.527 -10.225 0.766 1.00 8.41 C ATOM 920 CG ASP A 58 -9.786 -11.689 1.090 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.981 -12.042 1.277 1.00 11.70 O ATOM 922 OD2 ASP A 58 -8.830 -12.494 1.252 1.00 10.05 O ATOM 0 H ASP A 58 -9.825 -7.923 0.013 1.00 9.11 H new ATOM 0 HA ASP A 58 -11.555 -9.609 1.394 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -9.578 -10.084 -0.314 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.514 -9.965 1.074 1.00 8.41 H new ATOM 927 N TYR A 59 -9.197 -8.230 3.132 1.00 7.97 N ATOM 928 CA TYR A 59 -8.660 -7.933 4.424 1.00 8.45 C ATOM 929 C TYR A 59 -9.492 -6.966 5.193 1.00 10.98 C ATOM 930 O TYR A 59 -9.118 -6.609 6.310 1.00 12.95 O ATOM 931 CB TYR A 59 -7.261 -7.298 4.360 1.00 7.94 C ATOM 932 CG TYR A 59 -6.362 -8.370 3.847 1.00 6.91 C ATOM 933 CD1 TYR A 59 -5.854 -9.249 4.774 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.846 -8.398 2.573 1.00 4.59 C ATOM 935 CE1 TYR A 59 -4.866 -10.150 4.454 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.900 -9.337 2.235 1.00 5.39 C ATOM 937 CZ TYR A 59 -4.383 -10.205 3.168 1.00 6.76 C ATOM 938 OH TYR A 59 -3.322 -11.067 2.819 1.00 7.63 O ATOM 0 H TYR A 59 -8.822 -7.627 2.400 1.00 7.97 H new ATOM 0 HA TYR A 59 -8.632 -8.907 4.913 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -7.253 -6.430 3.701 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.941 -6.954 5.343 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -6.242 -9.231 5.782 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -6.184 -7.683 1.838 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -4.471 -10.812 5.210 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -4.555 -9.394 1.213 1.00 5.39 H new ATOM 0 HH TYR A 59 -3.632 -11.996 2.850 1.00 7.63 H new ATOM 948 N ASN A 60 -10.620 -6.499 4.629 1.00 12.38 N ATOM 949 CA ASN A 60 -11.518 -5.551 5.213 1.00 13.94 C ATOM 950 C ASN A 60 -10.875 -4.230 5.460 1.00 14.16 C ATOM 951 O ASN A 60 -10.884 -3.676 6.558 1.00 14.26 O ATOM 952 CB ASN A 60 -12.236 -6.153 6.432 1.00 19.23 C ATOM 953 CG ASN A 60 -13.224 -7.256 6.079 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.307 -7.756 4.958 1.00 25.45 O ATOM 955 ND2 ASN A 60 -13.977 -7.707 7.117 1.00 24.09 N ATOM 0 H ASN A 60 -10.924 -6.804 3.704 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.300 -5.330 4.487 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.491 -6.552 7.121 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.765 -5.359 6.959 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -14.630 -8.478 6.976 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.889 -7.275 8.037 1.00 24.09 H new ATOM 962 N ILE A 61 -10.183 -3.675 4.449 1.00 11.08 N ATOM 963 CA ILE A 61 -9.617 -2.363 4.388 1.00 11.78 C ATOM 964 C ILE A 61 -10.593 -1.419 3.775 1.00 13.74 C ATOM 965 O ILE A 61 -10.946 -1.577 2.608 1.00 14.60 O ATOM 966 CB ILE A 61 -8.390 -2.475 3.534 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.392 -3.563 3.966 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.717 -1.094 3.468 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.674 -3.267 5.282 1.00 11.42 C ATOM 0 H ILE A 61 -10.004 -4.198 3.592 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.371 -1.984 5.380 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.718 -2.800 2.546 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.923 -4.511 4.060 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.648 -3.691 3.180 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.821 -1.155 2.850 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.409 -0.372 3.034 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.443 -0.774 4.473 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.989 -4.083 5.514 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.113 -2.337 5.189 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -7.407 -3.170 6.083 1.00 11.42 H new ATOM 981 N GLN A 62 -11.082 -0.490 4.616 1.00 13.97 N ATOM 982 CA GLN A 62 -11.999 0.553 4.275 1.00 15.52 C ATOM 983 C GLN A 62 -11.309 1.750 3.718 1.00 13.94 C ATOM 984 O GLN A 62 -10.129 1.773 3.372 1.00 12.15 O ATOM 985 CB GLN A 62 -12.858 0.892 5.505 1.00 19.53 C ATOM 986 CG GLN A 62 -13.499 -0.326 6.171 1.00 26.38 C ATOM 987 CD GLN A 62 -14.356 -1.204 5.270 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.224 -2.425 5.323 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.231 -0.562 4.450 1.00 32.71 N ATOM 0 H GLN A 62 -10.818 -0.467 5.601 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.654 0.200 3.478 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.238 1.409 6.237 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.644 1.586 5.206 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.707 -0.941 6.598 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -14.115 0.020 7.001 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -15.286 0.456 4.460 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.832 -1.099 3.825 1.00 32.71 H new ATOM 998 N LYS A 63 -11.973 2.919 3.685 1.00 11.73 N ATOM 999 CA LYS A 63 -11.419 4.186 3.322 1.00 11.97 C ATOM 1000 C LYS A 63 -10.828 4.873 4.505 1.00 10.41 C ATOM 1001 O LYS A 63 -11.071 4.538 5.663 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.454 5.113 2.662 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.664 5.463 3.531 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.633 6.531 3.021 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.874 6.820 3.868 1.00 23.42 C ATOM 1006 NZ LYS A 63 -15.641 7.430 5.196 1.00 25.97 N ATOM 0 H LYS A 63 -12.962 2.982 3.928 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.636 3.977 2.593 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -11.956 6.038 2.371 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.809 4.641 1.746 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.233 4.548 3.695 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.293 5.786 4.504 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.078 7.462 2.908 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -14.966 6.236 2.026 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.529 7.481 3.299 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.414 5.884 4.013 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.440 8.051 5.438 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.556 6.681 5.912 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -14.764 7.988 5.173 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.010 5.908 4.242 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.437 6.786 5.214 1.00 10.94 C ATOM 1022 C GLU A 64 -8.343 6.138 5.991 1.00 9.74 C ATOM 1023 O GLU A 64 -7.752 6.695 6.914 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.389 7.638 6.071 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.257 8.584 5.239 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.398 9.238 6.004 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.160 10.063 6.927 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -13.581 8.956 5.674 1.00 31.72 O ATOM 0 H GLU A 64 -9.732 6.146 3.290 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.990 7.561 4.590 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.034 6.979 6.652 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.805 8.221 6.783 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.622 9.366 4.822 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.673 8.029 4.398 1.00 24.16 H new ATOM 1035 N SER A 65 -8.012 4.868 5.694 1.00 6.85 N ATOM 1036 CA SER A 65 -7.153 4.085 6.527 1.00 6.90 C ATOM 1037 C SER A 65 -5.715 4.262 6.180 1.00 4.72 C ATOM 1038 O SER A 65 -5.387 4.458 5.011 1.00 3.91 O ATOM 1039 CB SER A 65 -7.482 2.647 6.093 1.00 7.28 C ATOM 1040 OG SER A 65 -7.015 1.600 6.931 1.00 10.56 O ATOM 0 H SER A 65 -8.345 4.378 4.864 1.00 6.85 H new ATOM 0 HA SER A 65 -7.297 4.342 7.576 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.565 2.557 6.010 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.072 2.492 5.095 1.00 7.28 H new ATOM 0 HG SER A 65 -7.285 0.736 6.556 1.00 10.56 H new ATOM 1046 N THR A 66 -4.904 4.320 7.251 1.00 4.48 N ATOM 1047 CA THR A 66 -3.499 4.520 7.076 1.00 3.80 C ATOM 1048 C THR A 66 -2.806 3.207 7.209 1.00 4.60 C ATOM 1049 O THR A 66 -2.606 2.597 8.258 1.00 5.33 O ATOM 1050 CB THR A 66 -2.954 5.470 8.101 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.765 6.633 8.034 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.497 5.879 7.827 1.00 3.40 C ATOM 0 H THR A 66 -5.212 4.231 8.219 1.00 4.48 H new ATOM 0 HA THR A 66 -3.329 4.948 6.088 1.00 3.80 H new ATOM 0 HB THR A 66 -2.968 4.985 9.077 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.450 7.290 8.690 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.160 6.567 8.603 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.864 4.992 7.828 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.433 6.369 6.855 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.220 2.760 6.084 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.269 1.692 6.097 1.00 3.85 C ATOM 1062 C LEU A 67 0.167 2.021 6.319 1.00 3.80 C ATOM 1063 O LEU A 67 0.684 3.089 5.992 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.447 0.850 4.823 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.890 0.509 4.414 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.756 -0.315 3.122 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.752 -0.279 5.414 1.00 8.12 C ATOM 0 H LEU A 67 -2.407 3.142 5.157 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.510 1.139 7.005 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.976 1.381 3.996 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.901 -0.084 4.954 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.422 1.456 4.326 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.747 -0.597 2.766 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.253 0.281 2.361 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.173 -1.214 3.322 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.742 -0.445 4.989 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -3.281 -1.239 5.623 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.845 0.288 6.340 1.00 8.12 H new ATOM 1079 N HIS A 68 0.944 1.170 7.012 1.00 2.94 N ATOM 1080 CA HIS A 68 2.330 1.436 7.243 1.00 4.17 C ATOM 1081 C HIS A 68 3.214 0.757 6.253 1.00 5.32 C ATOM 1082 O HIS A 68 3.198 -0.446 5.997 1.00 7.70 O ATOM 1083 CB HIS A 68 2.717 0.912 8.636 1.00 5.57 C ATOM 1084 CG HIS A 68 4.061 1.395 9.095 1.00 9.95 C ATOM 1085 ND1 HIS A 68 4.715 2.574 8.802 1.00 13.74 N ATOM 1086 CD2 HIS A 68 4.960 0.700 9.843 1.00 12.79 C ATOM 1087 CE1 HIS A 68 5.931 2.529 9.410 1.00 14.75 C ATOM 1088 NE2 HIS A 68 6.117 1.411 10.088 1.00 16.30 N ATOM 0 H HIS A 68 0.611 0.294 7.414 1.00 2.94 H new ATOM 0 HA HIS A 68 2.467 2.514 7.155 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.961 1.222 9.357 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.715 -0.178 8.621 1.00 5.57 H new ATOM 0 HD1 HIS A 68 4.353 3.339 8.233 1.00 13.74 H new ATOM 0 HD2 HIS A 68 4.787 -0.302 10.207 1.00 12.79 H new ATOM 0 HE1 HIS A 68 6.663 3.320 9.345 1.00 14.75 H new ATOM 1096 N LEU A 69 3.966 1.631 5.561 1.00 5.29 N ATOM 1097 CA LEU A 69 4.851 1.219 4.516 1.00 3.97 C ATOM 1098 C LEU A 69 6.227 1.015 5.050 1.00 5.07 C ATOM 1099 O LEU A 69 6.811 1.913 5.654 1.00 4.34 O ATOM 1100 CB LEU A 69 4.718 2.217 3.354 1.00 6.08 C ATOM 1101 CG LEU A 69 5.949 2.146 2.434 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.986 0.831 1.637 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.942 3.221 1.334 1.00 6.87 C ATOM 0 H LEU A 69 3.960 2.637 5.729 1.00 5.29 H new ATOM 0 HA LEU A 69 4.585 0.243 4.110 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.817 1.998 2.781 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.609 3.228 3.747 1.00 6.08 H new ATOM 0 HG LEU A 69 6.789 2.264 3.118 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.869 0.817 0.999 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.024 -0.012 2.327 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.091 0.754 1.020 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.836 3.118 0.719 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.056 3.098 0.711 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.929 4.210 1.792 1.00 6.87 H new ATOM 1115 N VAL A 70 6.743 -0.217 4.893 1.00 4.29 N ATOM 1116 CA VAL A 70 7.965 -0.767 5.393 1.00 6.26 C ATOM 1117 C VAL A 70 8.868 -1.176 4.281 1.00 9.22 C ATOM 1118 O VAL A 70 8.335 -1.730 3.321 1.00 9.36 O ATOM 1119 CB VAL A 70 7.649 -1.926 6.292 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.912 -2.512 6.947 1.00 9.76 C ATOM 1121 CG2 VAL A 70 6.732 -1.430 7.423 1.00 8.54 C ATOM 0 H VAL A 70 6.236 -0.912 4.345 1.00 4.29 H new ATOM 0 HA VAL A 70 8.493 -0.004 5.965 1.00 6.26 H new ATOM 0 HB VAL A 70 7.178 -2.699 5.684 1.00 8.69 H new ATOM 0 HG11 VAL A 70 8.634 -3.348 7.589 1.00 9.76 H new ATOM 0 HG12 VAL A 70 9.595 -2.860 6.172 1.00 9.76 H new ATOM 0 HG13 VAL A 70 9.402 -1.743 7.544 1.00 9.76 H new ATOM 0 HG21 VAL A 70 6.492 -2.260 8.087 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.241 -0.649 7.988 1.00 8.54 H new ATOM 0 HG23 VAL A 70 5.813 -1.029 6.996 1.00 8.54 H new ATOM 1131 N LEU A 71 10.174 -0.887 4.423 1.00 12.71 N ATOM 1132 CA LEU A 71 11.077 -1.332 3.407 1.00 16.06 C ATOM 1133 C LEU A 71 11.658 -2.616 3.889 1.00 18.09 C ATOM 1134 O LEU A 71 11.851 -2.775 5.094 1.00 19.26 O ATOM 1135 CB LEU A 71 12.215 -0.303 3.288 1.00 17.10 C ATOM 1136 CG LEU A 71 12.880 -0.257 1.902 1.00 19.37 C ATOM 1137 CD1 LEU A 71 11.924 -0.077 0.711 1.00 19.57 C ATOM 1138 CD2 LEU A 71 14.070 0.714 1.811 1.00 17.51 C ATOM 0 H LEU A 71 10.590 -0.372 5.199 1.00 12.71 H new ATOM 0 HA LEU A 71 10.576 -1.450 2.446 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.822 0.686 3.523 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.975 -0.530 4.036 1.00 17.10 H new ATOM 0 HG LEU A 71 13.275 -1.268 1.807 1.00 19.37 H new ATOM 0 HD11 LEU A 71 12.497 -0.058 -0.216 1.00 19.57 H new ATOM 0 HD12 LEU A 71 11.217 -0.906 0.684 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.379 0.861 0.820 1.00 19.57 H new ATOM 0 HD21 LEU A 71 14.484 0.689 0.803 1.00 17.51 H new ATOM 0 HD22 LEU A 71 13.733 1.725 2.040 1.00 17.51 H new ATOM 0 HD23 LEU A 71 14.837 0.417 2.526 1.00 17.51 H new ATOM 1150 N ARG A 72 12.053 -3.535 2.989 1.00 21.47 N ATOM 1151 CA ARG A 72 13.147 -4.417 3.253 1.00 25.83 C ATOM 1152 C ARG A 72 14.212 -4.162 2.242 1.00 27.74 C ATOM 1153 O ARG A 72 13.859 -3.815 1.116 1.00 30.65 O ATOM 1154 CB ARG A 72 12.691 -5.885 3.257 1.00 28.49 C ATOM 1155 CG ARG A 72 11.855 -6.501 2.134 1.00 31.79 C ATOM 1156 CD ARG A 72 11.599 -8.005 2.252 1.00 34.05 C ATOM 1157 NE ARG A 72 10.972 -8.419 0.965 1.00 35.08 N ATOM 1158 CZ ARG A 72 10.469 -9.632 0.593 1.00 34.67 C ATOM 1159 NH1 ARG A 72 10.579 -10.755 1.361 1.00 35.02 N ATOM 1160 NH2 ARG A 72 9.813 -9.792 -0.593 1.00 34.97 N ATOM 0 H ARG A 72 11.614 -3.667 2.078 1.00 21.47 H new ATOM 0 HA ARG A 72 13.548 -4.224 4.248 1.00 25.83 H new ATOM 0 HB2 ARG A 72 13.595 -6.489 3.337 1.00 28.49 H new ATOM 0 HB3 ARG A 72 12.127 -6.031 4.178 1.00 28.49 H new ATOM 0 HG2 ARG A 72 10.894 -5.988 2.097 1.00 31.79 H new ATOM 0 HG3 ARG A 72 12.355 -6.309 1.185 1.00 31.79 H new ATOM 0 HD2 ARG A 72 12.529 -8.546 2.424 1.00 34.05 H new ATOM 0 HD3 ARG A 72 10.942 -8.224 3.094 1.00 34.05 H new ATOM 0 HE ARG A 72 10.909 -7.687 0.257 1.00 35.08 H new ATOM 0 HH11 ARG A 72 11.056 -10.712 2.262 1.00 35.02 H new ATOM 0 HH12 ARG A 72 10.184 -11.637 1.034 1.00 35.02 H new ATOM 0 HH21 ARG A 72 9.691 -8.997 -1.220 1.00 34.97 H new ATOM 0 HH22 ARG A 72 9.445 -10.707 -0.853 1.00 34.97 H new ATOM 1174 N LEU A 73 15.464 -4.189 2.734 1.00 28.93 N ATOM 1175 CA LEU A 73 16.666 -4.116 1.963 1.00 30.76 C ATOM 1176 C LEU A 73 17.008 -5.345 1.193 1.00 32.18 C ATOM 1177 O LEU A 73 16.419 -6.383 1.491 1.00 32.31 O ATOM 1178 CB LEU A 73 17.848 -3.533 2.755 1.00 30.53 C ATOM 1179 CG LEU A 73 17.591 -2.119 3.303 1.00 30.16 C ATOM 1180 CD1 LEU A 73 18.816 -1.547 4.036 1.00 29.11 C ATOM 1181 CD2 LEU A 73 17.141 -1.072 2.270 1.00 29.57 C ATOM 0 H LEU A 73 15.647 -4.267 3.734 1.00 28.93 H new ATOM 0 HA LEU A 73 16.437 -3.393 1.180 1.00 30.76 H new ATOM 0 HB2 LEU A 73 18.079 -4.198 3.587 1.00 30.53 H new ATOM 0 HB3 LEU A 73 18.728 -3.509 2.112 1.00 30.53 H new ATOM 0 HG LEU A 73 16.758 -2.284 3.987 1.00 30.16 H new ATOM 0 HD11 LEU A 73 18.586 -0.547 4.405 1.00 29.11 H new ATOM 0 HD12 LEU A 73 19.072 -2.193 4.876 1.00 29.11 H new ATOM 0 HD13 LEU A 73 19.660 -1.494 3.348 1.00 29.11 H new ATOM 0 HD21 LEU A 73 16.989 -0.113 2.766 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.907 -0.966 1.502 1.00 29.57 H new ATOM 0 HD23 LEU A 73 16.207 -1.394 1.809 1.00 29.57 H new ATOM 1193 N ARG A 74 17.973 -5.270 0.260 1.00 33.82 N ATOM 1194 CA ARG A 74 18.448 -6.452 -0.389 1.00 35.33 C ATOM 1195 C ARG A 74 19.392 -7.186 0.500 1.00 36.22 C ATOM 1196 O ARG A 74 20.187 -6.633 1.258 1.00 36.70 O ATOM 1197 CB ARG A 74 19.146 -6.132 -1.722 1.00 36.91 C ATOM 1198 CG ARG A 74 18.142 -5.762 -2.816 1.00 38.62 C ATOM 1199 CD ARG A 74 16.944 -6.703 -2.967 1.00 39.75 C ATOM 1200 NE ARG A 74 15.996 -6.123 -3.959 1.00 41.13 N ATOM 1201 CZ ARG A 74 14.756 -6.609 -4.259 1.00 41.91 C ATOM 1202 NH1 ARG A 74 14.171 -7.719 -3.723 1.00 42.75 N ATOM 1203 NH2 ARG A 74 14.000 -5.895 -5.144 1.00 41.93 N ATOM 0 H ARG A 74 18.419 -4.404 -0.042 1.00 33.82 H new ATOM 0 HA ARG A 74 17.579 -7.076 -0.601 1.00 35.33 H new ATOM 0 HB2 ARG A 74 19.845 -5.309 -1.577 1.00 36.91 H new ATOM 0 HB3 ARG A 74 19.731 -6.994 -2.042 1.00 36.91 H new ATOM 0 HG2 ARG A 74 17.768 -4.758 -2.615 1.00 38.62 H new ATOM 0 HG3 ARG A 74 18.670 -5.721 -3.769 1.00 38.62 H new ATOM 0 HD2 ARG A 74 17.277 -7.688 -3.295 1.00 39.75 H new ATOM 0 HD3 ARG A 74 16.448 -6.838 -2.006 1.00 39.75 H new ATOM 0 HE ARG A 74 16.301 -5.288 -4.459 1.00 41.13 H new ATOM 0 HH11 ARG A 74 14.670 -8.272 -3.026 1.00 42.75 H new ATOM 0 HH12 ARG A 74 13.235 -7.995 -4.019 1.00 42.75 H new ATOM 0 HH21 ARG A 74 14.368 -5.036 -5.552 1.00 41.93 H new ATOM 0 HH22 ARG A 74 13.067 -6.221 -5.397 1.00 41.93 H new ATOM 1217 N GLY A 75 19.342 -8.529 0.449 1.00 36.31 N ATOM 1218 CA GLY A 75 20.176 -9.349 1.272 1.00 36.07 C ATOM 1219 C GLY A 75 19.321 -9.849 2.385 1.00 36.16 C ATOM 1220 O GLY A 75 19.293 -9.313 3.491 1.00 36.26 O ATOM 0 H GLY A 75 18.719 -9.050 -0.167 1.00 36.31 H new ATOM 0 HA2 GLY A 75 20.589 -10.179 0.699 1.00 36.07 H new ATOM 0 HA3 GLY A 75 21.020 -8.777 1.659 1.00 36.07 H new ATOM 1224 N GLY A 76 18.629 -10.956 2.062 1.00 36.05 N ATOM 1225 CA GLY A 76 17.780 -11.652 2.978 1.00 36.19 C ATOM 1226 C GLY A 76 16.416 -11.923 2.358 1.00 36.20 C ATOM 1227 O GLY A 76 15.720 -10.975 1.907 1.00 36.13 O ATOM 1228 OXT GLY A 76 15.931 -13.063 2.588 1.00 36.27 O ATOM 0 H GLY A 76 18.661 -11.380 1.135 1.00 36.05 H new ATOM 0 HA2 GLY A 76 18.246 -12.594 3.267 1.00 36.19 H new ATOM 0 HA3 GLY A 76 17.660 -11.063 3.887 1.00 36.19 H new TER 1232 GLY A 76