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 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.316 K(o=-0.32,f=-2.2!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0228) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 155:sc= 1.22 (180deg=-0.236) USER MOD Set 3.2: A 12 THR OG1 : rot 151:sc= 1.14 USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 1 MET CE :methyl 175:sc= -0.0772 (180deg=-0.149) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.27 (180deg=1.26) USER MOD Single : A 2 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.57) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.13) USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.174 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 1.31 (180deg=1.16) USER MOD Single : A 31 GLN : amide:sc= -0.319 K(o=-0.32,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.9!) USER MOD Single : A 41 GLN : amide:sc= 1.26 K(o=1.3,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.639 K(o=0.64,f=-4.6!) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.481 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00459 X(o=-0.0046,f=-0.081) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 87:sc= 0.618 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 11.698 -7.425 -4.838 1.00 9.67 N ATOM 2 CA MET A 1 11.536 -7.891 -3.402 1.00 10.38 C ATOM 3 C MET A 1 10.086 -8.281 -3.203 1.00 9.62 C ATOM 4 O MET A 1 9.145 -7.929 -3.972 1.00 9.62 O ATOM 5 CB MET A 1 12.069 -6.891 -2.374 1.00 13.77 C ATOM 6 CG MET A 1 11.285 -5.616 -2.196 1.00 16.29 C ATOM 7 SD MET A 1 12.284 -4.286 -1.337 1.00 17.17 S ATOM 8 CE MET A 1 10.999 -3.038 -1.572 1.00 16.11 C ATOM 0 H1 MET A 1 12.679 -7.118 -4.995 1.00 9.67 H new ATOM 0 H2 MET A 1 11.473 -8.208 -5.485 1.00 9.67 H new ATOM 0 H3 MET A 1 11.053 -6.630 -5.020 1.00 9.67 H new ATOM 0 HA MET A 1 12.161 -8.766 -3.225 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.124 -7.393 -1.408 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.089 -6.626 -2.654 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.961 -5.252 -3.171 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.385 -5.823 -1.617 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.288 -2.118 -1.064 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.874 -2.841 -2.637 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.059 -3.401 -1.157 1.00 16.11 H new ATOM 20 N GLN A 2 9.798 -9.016 -2.153 1.00 9.27 N ATOM 21 CA GLN A 2 8.477 -9.211 -1.707 1.00 9.07 C ATOM 22 C GLN A 2 8.255 -8.370 -0.425 1.00 8.72 C ATOM 23 O GLN A 2 9.169 -8.092 0.300 1.00 8.22 O ATOM 24 CB GLN A 2 8.243 -10.693 -1.297 1.00 14.46 C ATOM 25 CG GLN A 2 8.512 -11.823 -2.295 1.00 17.01 C ATOM 26 CD GLN A 2 7.934 -11.563 -3.641 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.746 -11.521 -3.872 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.880 -11.547 -4.648 1.00 19.49 N ATOM 0 H GLN A 2 10.501 -9.494 -1.590 1.00 9.27 H new ATOM 0 HA GLN A 2 7.804 -8.927 -2.516 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.858 -10.886 -0.418 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.203 -10.781 -0.983 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.588 -11.967 -2.390 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.099 -12.752 -1.902 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.873 -11.584 -4.416 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.586 -11.498 -5.623 1.00 19.49 H new ATOM 37 N ILE A 3 6.982 -7.836 -0.252 1.00 5.87 N ATOM 38 CA ILE A 3 6.564 -7.190 0.999 1.00 5.07 C ATOM 39 C ILE A 3 5.142 -7.616 1.448 1.00 4.01 C ATOM 40 O ILE A 3 4.472 -8.159 0.652 1.00 4.61 O ATOM 41 CB ILE A 3 6.567 -5.688 0.873 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.655 -5.233 -0.274 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.021 -5.089 0.651 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.428 -3.699 -0.260 1.00 10.83 C ATOM 0 H ILE A 3 6.260 -7.855 -0.972 1.00 5.87 H new ATOM 0 HA ILE A 3 7.291 -7.515 1.744 1.00 5.07 H new ATOM 0 HB ILE A 3 6.190 -5.307 1.822 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.097 -5.526 -1.227 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.694 -5.743 -0.198 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.959 -4.004 0.568 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.656 -5.352 1.497 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.448 -5.499 -0.264 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.777 -3.420 -1.088 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.962 -3.409 0.682 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.386 -3.189 -0.363 1.00 10.83 H new ATOM 56 N PHE A 4 4.728 -7.304 2.699 1.00 4.55 N ATOM 57 CA PHE A 4 3.518 -7.867 3.209 1.00 4.68 C ATOM 58 C PHE A 4 2.529 -6.737 3.568 1.00 5.30 C ATOM 59 O PHE A 4 2.911 -5.813 4.258 1.00 5.58 O ATOM 60 CB PHE A 4 3.661 -8.685 4.516 1.00 4.83 C ATOM 61 CG PHE A 4 4.673 -9.767 4.357 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.400 -10.663 3.272 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.950 -9.725 4.965 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.364 -11.624 3.001 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.846 -10.754 4.697 1.00 10.61 C ATOM 66 CZ PHE A 4 6.585 -11.698 3.669 1.00 8.90 C ATOM 0 H PHE A 4 5.220 -6.679 3.337 1.00 4.55 H new ATOM 0 HA PHE A 4 3.186 -8.530 2.410 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.953 -8.025 5.333 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.698 -9.119 4.786 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.490 -10.594 2.694 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.223 -8.912 5.622 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.157 -12.353 2.232 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.752 -10.836 5.278 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.313 -12.453 3.412 1.00 8.90 H new ATOM 76 N VAL A 5 1.321 -6.747 2.978 1.00 4.44 N ATOM 77 CA VAL A 5 0.401 -5.773 3.390 1.00 3.87 C ATOM 78 C VAL A 5 -0.725 -6.472 4.222 1.00 4.93 C ATOM 79 O VAL A 5 -1.046 -7.635 3.963 1.00 6.84 O ATOM 80 CB VAL A 5 -0.158 -5.032 2.300 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.096 -3.868 2.793 1.00 5.28 C ATOM 82 CG2 VAL A 5 1.047 -4.553 1.418 1.00 9.13 C ATOM 0 H VAL A 5 1.006 -7.396 2.257 1.00 4.44 H new ATOM 0 HA VAL A 5 0.931 -5.044 4.002 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.821 -5.653 1.697 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.497 -3.334 1.931 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -1.917 -4.285 3.376 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.524 -3.178 3.414 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.672 -3.981 0.570 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.708 -3.925 2.015 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.599 -5.420 1.055 1.00 9.13 H new ATOM 92 N LYS A 6 -1.338 -5.852 5.239 1.00 6.04 N ATOM 93 CA LYS A 6 -2.257 -6.493 6.201 1.00 6.12 C ATOM 94 C LYS A 6 -3.531 -5.708 6.315 1.00 6.57 C ATOM 95 O LYS A 6 -3.554 -4.468 6.210 1.00 5.76 O ATOM 96 CB LYS A 6 -1.597 -6.658 7.533 1.00 7.45 C ATOM 97 CG LYS A 6 -1.219 -8.109 7.899 1.00 11.12 C ATOM 98 CD LYS A 6 -0.352 -8.086 9.145 1.00 14.54 C ATOM 99 CE LYS A 6 0.070 -9.454 9.525 1.00 18.84 C ATOM 100 NZ LYS A 6 0.906 -10.113 8.510 1.00 20.55 N ATOM 0 H LYS A 6 -1.206 -4.858 5.425 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.509 -7.487 5.831 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.694 -6.048 7.552 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.263 -6.267 8.302 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.117 -8.701 8.075 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.683 -8.580 7.074 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.527 -7.466 8.969 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.903 -7.630 9.967 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.621 -9.408 10.464 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.816 -10.062 9.705 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.500 -10.836 8.965 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.297 -10.564 7.798 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.514 -9.406 8.048 1.00 20.55 H new ATOM 114 N THR A 7 -4.622 -6.394 6.564 1.00 7.41 N ATOM 115 CA THR A 7 -5.897 -5.685 6.593 1.00 7.48 C ATOM 116 C THR A 7 -6.594 -5.812 7.947 1.00 8.75 C ATOM 117 O THR A 7 -6.133 -6.575 8.848 1.00 8.58 O ATOM 118 CB THR A 7 -6.877 -6.256 5.522 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.629 -7.334 5.960 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.192 -6.687 4.200 1.00 9.17 C ATOM 0 H THR A 7 -4.665 -7.397 6.743 1.00 7.41 H new ATOM 0 HA THR A 7 -5.662 -4.640 6.392 1.00 7.48 H new ATOM 0 HB THR A 7 -7.529 -5.403 5.337 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.219 -7.636 5.238 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.943 -7.072 3.510 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.694 -5.828 3.751 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.457 -7.465 4.408 1.00 9.17 H new ATOM 128 N LEU A 8 -7.725 -5.066 8.115 1.00 9.84 N ATOM 129 CA LEU A 8 -8.420 -4.922 9.367 1.00 14.15 C ATOM 130 C LEU A 8 -8.993 -6.240 10.018 1.00 17.37 C ATOM 131 O LEU A 8 -9.087 -6.396 11.212 1.00 17.01 O ATOM 132 CB LEU A 8 -9.494 -3.793 9.272 1.00 16.63 C ATOM 133 CG LEU A 8 -9.973 -3.164 10.572 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.085 -1.919 10.904 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.519 -2.803 10.442 1.00 18.59 C ATOM 0 H LEU A 8 -8.162 -4.551 7.351 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.644 -4.632 10.075 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.092 -2.999 8.643 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.363 -4.199 8.755 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.872 -3.863 11.403 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.426 -1.467 11.835 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.046 -2.231 11.012 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.163 -1.191 10.097 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.867 -2.352 11.371 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.661 -2.099 9.622 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.089 -3.711 10.244 1.00 18.59 H new ATOM 147 N THR A 9 -9.233 -7.242 9.224 1.00 18.33 N ATOM 148 CA THR A 9 -9.704 -8.513 9.641 1.00 19.24 C ATOM 149 C THR A 9 -8.613 -9.577 9.817 1.00 19.48 C ATOM 150 O THR A 9 -8.826 -10.735 10.156 1.00 23.14 O ATOM 151 CB THR A 9 -10.739 -8.889 8.536 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.053 -9.032 7.250 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.763 -7.780 8.309 1.00 19.70 C ATOM 0 H THR A 9 -9.095 -7.182 8.215 1.00 18.33 H new ATOM 0 HA THR A 9 -10.132 -8.470 10.642 1.00 19.24 H new ATOM 0 HB THR A 9 -11.225 -9.805 8.871 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.704 -9.270 6.557 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.463 -8.085 7.532 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.307 -7.592 9.235 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.250 -6.869 7.999 1.00 19.70 H new ATOM 161 N GLY A 10 -7.321 -9.131 9.696 1.00 19.43 N ATOM 162 CA GLY A 10 -6.122 -9.897 10.012 1.00 18.74 C ATOM 163 C GLY A 10 -5.527 -10.475 8.777 1.00 17.62 C ATOM 164 O GLY A 10 -4.469 -11.074 8.953 1.00 19.74 O ATOM 0 H GLY A 10 -7.106 -8.192 9.362 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.394 -9.254 10.506 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.369 -10.696 10.711 1.00 18.74 H new ATOM 168 N LYS A 11 -6.121 -10.383 7.584 1.00 13.56 N ATOM 169 CA LYS A 11 -5.694 -10.940 6.314 1.00 11.91 C ATOM 170 C LYS A 11 -4.334 -10.411 5.972 1.00 10.18 C ATOM 171 O LYS A 11 -3.977 -9.282 6.129 1.00 9.10 O ATOM 172 CB LYS A 11 -6.779 -10.705 5.214 1.00 13.43 C ATOM 173 CG LYS A 11 -6.544 -11.525 3.916 1.00 16.69 C ATOM 174 CD LYS A 11 -7.581 -11.153 2.891 1.00 17.92 C ATOM 175 CE LYS A 11 -7.355 -11.982 1.650 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.401 -11.785 0.699 1.00 21.93 N ATOM 0 H LYS A 11 -6.995 -9.866 7.482 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.595 -12.023 6.383 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.757 -10.960 5.622 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.805 -9.645 4.963 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.545 -11.329 3.526 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.598 -12.592 4.133 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.582 -11.328 3.285 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.514 -10.091 2.654 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.398 -11.716 1.202 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.299 -13.037 1.919 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.201 -12.341 -0.157 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.306 -12.093 1.109 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.459 -10.777 0.451 1.00 21.93 H new ATOM 190 N THR A 12 -3.460 -11.221 5.373 1.00 9.63 N ATOM 191 CA THR A 12 -2.121 -10.837 4.868 1.00 9.85 C ATOM 192 C THR A 12 -2.080 -11.090 3.394 1.00 11.66 C ATOM 193 O THR A 12 -2.515 -12.147 3.038 1.00 12.33 O ATOM 194 CB THR A 12 -0.910 -11.584 5.567 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.953 -11.379 6.963 1.00 10.91 O ATOM 196 CG2 THR A 12 0.469 -11.051 5.118 1.00 9.63 C ATOM 0 H THR A 12 -3.665 -12.208 5.215 1.00 9.63 H new ATOM 0 HA THR A 12 -1.989 -9.782 5.107 1.00 9.85 H new ATOM 0 HB THR A 12 -1.017 -12.632 5.286 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.551 -12.148 7.419 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.257 -11.602 5.631 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.577 -11.182 4.041 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.547 -9.992 5.364 1.00 9.63 H new ATOM 204 N ILE A 13 -1.641 -10.135 2.537 1.00 10.42 N ATOM 205 CA ILE A 13 -1.448 -10.296 1.117 1.00 11.84 C ATOM 206 C ILE A 13 0.043 -9.963 0.913 1.00 10.55 C ATOM 207 O ILE A 13 0.467 -8.890 1.356 1.00 11.92 O ATOM 208 CB ILE A 13 -2.399 -9.443 0.240 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.313 -7.923 0.600 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.832 -9.986 0.373 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.140 -7.072 -0.287 1.00 16.46 C ATOM 0 H ILE A 13 -1.407 -9.195 2.856 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.700 -11.304 0.788 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.089 -9.523 -0.802 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.632 -7.781 1.632 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.274 -7.599 0.540 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.506 -9.389 -0.242 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.860 -11.024 0.041 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.147 -9.930 1.415 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.039 -6.029 0.012 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.805 -7.188 -1.318 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.185 -7.372 -0.209 1.00 16.46 H new ATOM 223 N THR A 14 0.818 -10.777 0.160 1.00 9.39 N ATOM 224 CA THR A 14 2.167 -10.534 -0.244 1.00 9.63 C ATOM 225 C THR A 14 2.252 -9.859 -1.521 1.00 11.20 C ATOM 226 O THR A 14 1.583 -10.228 -2.473 1.00 11.63 O ATOM 227 CB THR A 14 3.030 -11.809 -0.451 1.00 10.38 C ATOM 228 OG1 THR A 14 2.958 -12.635 0.685 1.00 16.30 O ATOM 229 CG2 THR A 14 4.547 -11.489 -0.535 1.00 11.66 C ATOM 0 H THR A 14 0.469 -11.670 -0.189 1.00 9.39 H new ATOM 0 HA THR A 14 2.541 -9.939 0.589 1.00 9.63 H new ATOM 0 HB THR A 14 2.648 -12.262 -1.366 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.383 -12.184 1.445 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.106 -12.413 -0.680 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.731 -10.818 -1.374 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.870 -11.011 0.390 1.00 11.66 H new ATOM 237 N LEU A 15 3.051 -8.803 -1.668 1.00 8.29 N ATOM 238 CA LEU A 15 3.211 -8.075 -2.886 1.00 9.03 C ATOM 239 C LEU A 15 4.608 -8.253 -3.386 1.00 8.59 C ATOM 240 O LEU A 15 5.577 -8.267 -2.598 1.00 7.79 O ATOM 241 CB LEU A 15 2.919 -6.566 -2.801 1.00 11.08 C ATOM 242 CG LEU A 15 1.482 -6.200 -2.321 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.349 -4.670 -2.204 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.354 -6.786 -3.189 1.00 15.27 C ATOM 0 H LEU A 15 3.616 -8.433 -0.904 1.00 8.29 H new ATOM 0 HA LEU A 15 2.464 -8.490 -3.563 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.640 -6.109 -2.123 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.081 -6.124 -3.784 1.00 11.08 H new ATOM 0 HG LEU A 15 1.356 -6.664 -1.343 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.343 -4.417 -1.868 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.077 -4.295 -1.484 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.532 -4.213 -3.177 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.612 -6.482 -2.784 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.452 -6.417 -4.210 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.422 -7.874 -3.188 1.00 15.27 H new ATOM 256 N GLU A 16 4.789 -8.399 -4.703 1.00 11.04 N ATOM 257 CA GLU A 16 6.081 -8.328 -5.405 1.00 11.50 C ATOM 258 C GLU A 16 6.353 -6.936 -5.867 1.00 10.13 C ATOM 259 O GLU A 16 5.681 -6.408 -6.733 1.00 9.83 O ATOM 260 CB GLU A 16 6.126 -9.312 -6.524 1.00 17.22 C ATOM 261 CG GLU A 16 7.545 -9.464 -7.123 1.00 23.33 C ATOM 262 CD GLU A 16 7.772 -10.536 -8.168 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.562 -11.769 -7.928 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.104 -10.183 -9.324 1.00 28.90 O ATOM 0 H GLU A 16 4.010 -8.577 -5.337 1.00 11.04 H new ATOM 0 HA GLU A 16 6.875 -8.597 -4.708 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.781 -10.282 -6.165 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.436 -8.998 -7.307 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.825 -8.507 -7.563 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.235 -9.650 -6.300 1.00 23.33 H new ATOM 271 N VAL A 17 7.313 -6.190 -5.265 1.00 8.99 N ATOM 272 CA VAL A 17 7.559 -4.841 -5.554 1.00 8.85 C ATOM 273 C VAL A 17 9.074 -4.577 -5.799 1.00 8.04 C ATOM 274 O VAL A 17 9.908 -5.370 -5.433 1.00 8.99 O ATOM 275 CB VAL A 17 7.144 -3.876 -4.342 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.739 -4.031 -3.974 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.983 -4.207 -3.082 1.00 10.54 C ATOM 0 H VAL A 17 7.933 -6.567 -4.548 1.00 8.99 H new ATOM 0 HA VAL A 17 6.964 -4.630 -6.443 1.00 8.85 H new ATOM 0 HB VAL A 17 7.323 -2.857 -4.684 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.503 -3.358 -3.149 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.110 -3.790 -4.831 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.555 -5.060 -3.667 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.692 -3.545 -2.267 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.807 -5.242 -2.789 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.041 -4.067 -3.302 1.00 10.54 H new ATOM 287 N GLU A 18 9.367 -3.405 -6.368 1.00 7.29 N ATOM 288 CA GLU A 18 10.670 -2.809 -6.304 1.00 7.08 C ATOM 289 C GLU A 18 10.686 -1.629 -5.351 1.00 6.45 C ATOM 290 O GLU A 18 9.623 -1.063 -5.190 1.00 5.28 O ATOM 291 CB GLU A 18 11.215 -2.317 -7.665 1.00 10.28 C ATOM 292 CG GLU A 18 11.447 -3.536 -8.642 1.00 12.65 C ATOM 293 CD GLU A 18 12.730 -4.294 -8.333 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.783 -3.797 -8.895 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.834 -5.318 -7.628 1.00 18.17 O ATOM 0 H GLU A 18 8.687 -2.851 -6.888 1.00 7.29 H new ATOM 0 HA GLU A 18 11.315 -3.614 -5.953 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.512 -1.614 -8.112 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.152 -1.780 -7.516 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.600 -4.219 -8.574 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.482 -3.173 -9.669 1.00 12.65 H new ATOM 302 N PRO A 19 11.855 -1.192 -4.732 1.00 7.24 N ATOM 303 CA PRO A 19 11.950 0.008 -3.947 1.00 7.07 C ATOM 304 C PRO A 19 11.544 1.295 -4.740 1.00 6.65 C ATOM 305 O PRO A 19 11.287 2.327 -4.113 1.00 6.37 O ATOM 306 CB PRO A 19 13.372 0.058 -3.549 1.00 7.61 C ATOM 307 CG PRO A 19 13.866 -1.402 -3.632 1.00 8.16 C ATOM 308 CD PRO A 19 12.997 -2.108 -4.617 1.00 7.49 C ATOM 0 HA PRO A 19 11.263 -0.015 -3.101 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.944 0.706 -4.213 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.485 0.455 -2.540 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.909 -1.438 -3.945 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.810 -1.883 -2.656 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.500 -2.254 -5.573 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.695 -3.093 -4.262 1.00 7.49 H new ATOM 316 N SER A 20 11.473 1.225 -6.109 1.00 6.80 N ATOM 317 CA SER A 20 11.234 2.387 -6.980 1.00 6.28 C ATOM 318 C SER A 20 9.744 2.362 -7.498 1.00 8.45 C ATOM 319 O SER A 20 9.361 3.162 -8.366 1.00 7.26 O ATOM 320 CB SER A 20 12.195 2.404 -8.217 1.00 8.57 C ATOM 321 OG SER A 20 12.263 1.129 -8.925 1.00 11.13 O ATOM 0 H SER A 20 11.583 0.351 -6.623 1.00 6.80 H new ATOM 0 HA SER A 20 11.424 3.282 -6.387 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.866 3.178 -8.911 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.196 2.679 -7.884 1.00 8.57 H new ATOM 0 HG SER A 20 12.877 1.209 -9.685 1.00 11.13 H new ATOM 327 N ASP A 21 8.869 1.445 -7.051 1.00 7.50 N ATOM 328 CA ASP A 21 7.426 1.495 -7.430 1.00 7.70 C ATOM 329 C ASP A 21 6.662 2.559 -6.582 1.00 7.08 C ATOM 330 O ASP A 21 6.875 2.577 -5.344 1.00 8.11 O ATOM 331 CB ASP A 21 6.724 0.165 -7.214 1.00 11.00 C ATOM 332 CG ASP A 21 7.187 -0.924 -8.132 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.592 -0.684 -9.312 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.070 -2.076 -7.661 1.00 14.36 O ATOM 0 H ASP A 21 9.118 0.669 -6.437 1.00 7.50 H new ATOM 0 HA ASP A 21 7.409 1.751 -8.489 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.879 -0.153 -6.183 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.651 0.306 -7.346 1.00 11.00 H new ATOM 339 N THR A 22 5.811 3.394 -7.203 1.00 5.37 N ATOM 340 CA THR A 22 4.985 4.414 -6.543 1.00 6.01 C ATOM 341 C THR A 22 3.909 3.725 -5.707 1.00 8.01 C ATOM 342 O THR A 22 3.459 2.624 -5.922 1.00 8.11 O ATOM 343 CB THR A 22 4.522 5.544 -7.441 1.00 8.92 C ATOM 344 OG1 THR A 22 3.768 4.912 -8.549 1.00 10.22 O ATOM 345 CG2 THR A 22 5.677 6.337 -7.925 1.00 9.65 C ATOM 0 H THR A 22 5.676 3.375 -8.214 1.00 5.37 H new ATOM 0 HA THR A 22 5.613 4.975 -5.850 1.00 6.01 H new ATOM 0 HB THR A 22 3.885 6.249 -6.908 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.443 5.605 -9.161 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.322 7.142 -8.568 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.210 6.760 -7.074 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.350 5.692 -8.490 1.00 9.65 H new ATOM 353 N ILE A 23 3.452 4.487 -4.667 1.00 8.32 N ATOM 354 CA ILE A 23 2.276 4.088 -3.874 1.00 9.92 C ATOM 355 C ILE A 23 0.996 3.961 -4.824 1.00 10.01 C ATOM 356 O ILE A 23 0.289 2.962 -4.613 1.00 8.71 O ATOM 357 CB ILE A 23 2.034 5.050 -2.736 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.320 5.231 -1.830 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.855 4.513 -1.873 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.950 4.010 -1.226 1.00 12.30 C ATOM 0 H ILE A 23 3.881 5.364 -4.372 1.00 8.32 H new ATOM 0 HA ILE A 23 2.468 3.112 -3.428 1.00 9.92 H new ATOM 0 HB ILE A 23 1.792 6.027 -3.155 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.079 5.733 -2.429 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.059 5.906 -1.015 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.668 5.198 -1.046 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.041 4.435 -2.489 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.111 3.530 -1.479 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.818 4.303 -0.635 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.227 3.507 -0.584 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.263 3.332 -2.020 1.00 12.30 H new ATOM 372 N GLU A 24 0.774 4.844 -5.837 1.00 9.54 N ATOM 373 CA GLU A 24 -0.233 4.548 -6.864 1.00 11.81 C ATOM 374 C GLU A 24 -0.054 3.200 -7.586 1.00 11.14 C ATOM 375 O GLU A 24 -0.990 2.455 -7.979 1.00 10.62 O ATOM 376 CB GLU A 24 -0.011 5.698 -7.916 1.00 19.24 C ATOM 377 CG GLU A 24 -1.198 5.800 -8.877 1.00 27.76 C ATOM 378 CD GLU A 24 -0.977 6.988 -9.757 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.123 6.950 -10.667 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.739 8.011 -9.724 1.00 34.80 O ATOM 0 H GLU A 24 1.264 5.731 -5.953 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.220 4.489 -6.406 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.125 6.648 -7.399 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.902 5.509 -8.480 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.283 4.893 -9.475 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.130 5.905 -8.322 1.00 27.76 H new ATOM 387 N ASN A 25 1.209 2.698 -7.783 1.00 9.43 N ATOM 388 CA ASN A 25 1.602 1.368 -8.304 1.00 10.96 C ATOM 389 C ASN A 25 1.269 0.200 -7.345 1.00 9.68 C ATOM 390 O ASN A 25 0.620 -0.739 -7.742 1.00 9.33 O ATOM 391 CB ASN A 25 3.060 1.315 -8.781 1.00 16.78 C ATOM 392 CG ASN A 25 3.171 0.140 -9.811 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.167 -1.037 -9.418 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.331 0.386 -11.166 1.00 24.70 N ATOM 0 H ASN A 25 2.029 3.263 -7.562 1.00 9.43 H new ATOM 0 HA ASN A 25 0.976 1.223 -9.185 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.348 2.259 -9.243 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.734 1.153 -7.940 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.442 -0.392 -11.816 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.338 1.345 -11.513 1.00 24.70 H new ATOM 401 N VAL A 26 1.635 0.351 -6.024 1.00 6.52 N ATOM 402 CA VAL A 26 1.232 -0.534 -4.907 1.00 5.53 C ATOM 403 C VAL A 26 -0.266 -0.744 -4.743 1.00 4.42 C ATOM 404 O VAL A 26 -0.726 -1.917 -4.764 1.00 3.40 O ATOM 405 CB VAL A 26 1.873 -0.157 -3.612 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.713 -1.361 -2.624 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.409 0.088 -3.803 1.00 8.12 C ATOM 0 H VAL A 26 2.234 1.117 -5.717 1.00 6.52 H new ATOM 0 HA VAL A 26 1.619 -1.507 -5.209 1.00 5.53 H new ATOM 0 HB VAL A 26 1.402 0.751 -3.236 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.174 -1.111 -1.668 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.654 -1.569 -2.473 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.200 -2.242 -3.042 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.855 0.361 -2.847 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.879 -0.822 -4.176 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.562 0.895 -4.519 1.00 8.12 H new ATOM 417 N LYS A 27 -0.994 0.429 -4.820 1.00 2.64 N ATOM 418 CA LYS A 27 -2.426 0.435 -5.020 1.00 4.14 C ATOM 419 C LYS A 27 -2.976 -0.306 -6.244 1.00 5.58 C ATOM 420 O LYS A 27 -3.955 -1.053 -6.175 1.00 4.11 O ATOM 421 CB LYS A 27 -3.035 1.840 -5.118 1.00 3.97 C ATOM 422 CG LYS A 27 -3.240 2.549 -3.704 1.00 7.45 C ATOM 423 CD LYS A 27 -3.402 4.056 -3.966 1.00 9.02 C ATOM 424 CE LYS A 27 -4.022 4.769 -2.714 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.401 6.138 -3.145 1.00 15.47 N ATOM 0 H LYS A 27 -0.580 1.358 -4.742 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.719 -0.099 -4.116 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.390 2.464 -5.737 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.998 1.775 -5.625 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -4.119 2.150 -3.198 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.386 2.362 -3.053 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.433 4.497 -4.200 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.041 4.213 -4.835 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.892 4.223 -2.350 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.304 4.806 -1.895 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.968 6.592 -2.401 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.542 6.699 -3.316 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.959 6.084 -4.021 1.00 15.47 H new ATOM 439 N ALA A 28 -2.358 -0.145 -7.421 1.00 6.61 N ATOM 440 CA ALA A 28 -2.686 -0.930 -8.574 1.00 7.74 C ATOM 441 C ALA A 28 -2.459 -2.434 -8.353 1.00 9.17 C ATOM 442 O ALA A 28 -3.312 -3.286 -8.725 1.00 11.45 O ATOM 443 CB ALA A 28 -1.846 -0.395 -9.749 1.00 7.68 C ATOM 0 H ALA A 28 -1.618 0.539 -7.581 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.750 -0.834 -8.788 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.069 -0.970 -10.648 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.087 0.654 -9.920 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.786 -0.490 -9.512 1.00 7.68 H new ATOM 449 N LYS A 29 -1.405 -2.898 -7.649 1.00 8.96 N ATOM 450 CA LYS A 29 -1.133 -4.263 -7.340 1.00 7.90 C ATOM 451 C LYS A 29 -2.141 -4.898 -6.432 1.00 6.92 C ATOM 452 O LYS A 29 -2.662 -6.007 -6.659 1.00 6.87 O ATOM 453 CB LYS A 29 0.281 -4.444 -6.726 1.00 10.28 C ATOM 454 CG LYS A 29 1.434 -4.216 -7.774 1.00 14.94 C ATOM 455 CD LYS A 29 2.784 -4.331 -7.034 1.00 19.69 C ATOM 456 CE LYS A 29 3.966 -3.714 -7.832 1.00 22.63 C ATOM 457 NZ LYS A 29 4.047 -4.132 -9.229 1.00 24.98 N ATOM 0 H LYS A 29 -0.696 -2.269 -7.272 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.191 -4.773 -8.301 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.405 -3.746 -5.898 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.366 -5.448 -6.311 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.374 -4.955 -8.573 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.337 -3.235 -8.239 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.706 -3.834 -6.067 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.995 -5.382 -6.836 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.882 -2.628 -7.797 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.899 -3.978 -7.334 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.918 -3.755 -9.654 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.058 -5.171 -9.280 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.223 -3.769 -9.748 1.00 24.98 H new ATOM 471 N ILE A 30 -2.517 -4.130 -5.411 1.00 4.57 N ATOM 472 CA ILE A 30 -3.588 -4.429 -4.461 1.00 5.58 C ATOM 473 C ILE A 30 -4.901 -4.529 -5.254 1.00 7.26 C ATOM 474 O ILE A 30 -5.559 -5.559 -5.159 1.00 9.46 O ATOM 475 CB ILE A 30 -3.619 -3.448 -3.315 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.390 -3.669 -2.383 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.886 -3.692 -2.403 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.265 -2.731 -1.186 1.00 2.00 C ATOM 0 H ILE A 30 -2.061 -3.239 -5.214 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.415 -5.386 -3.969 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.627 -2.450 -3.753 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.423 -4.693 -2.012 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.485 -3.577 -2.984 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.888 -2.974 -1.583 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.791 -3.567 -2.997 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.854 -4.704 -1.999 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.371 -2.986 -0.616 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.191 -1.702 -1.537 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.143 -2.835 -0.549 1.00 2.00 H new ATOM 490 N GLN A 31 -5.257 -3.595 -6.113 1.00 7.06 N ATOM 491 CA GLN A 31 -6.455 -3.754 -6.911 1.00 8.67 C ATOM 492 C GLN A 31 -6.535 -5.005 -7.830 1.00 10.90 C ATOM 493 O GLN A 31 -7.555 -5.663 -7.966 1.00 9.63 O ATOM 494 CB GLN A 31 -6.598 -2.635 -7.950 1.00 9.12 C ATOM 495 CG GLN A 31 -8.021 -2.535 -8.511 1.00 10.76 C ATOM 496 CD GLN A 31 -8.057 -1.615 -9.684 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.058 -1.220 -10.269 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.264 -1.194 -10.041 1.00 14.76 N ATOM 0 H GLN A 31 -4.742 -2.730 -6.275 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.206 -3.792 -6.122 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.322 -1.684 -7.495 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.900 -2.811 -8.768 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.372 -3.524 -8.806 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.699 -2.174 -7.737 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.089 -1.531 -9.545 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.367 -0.533 -10.811 1.00 14.76 H new ATOM 507 N ASP A 32 -5.364 -5.371 -8.391 1.00 10.93 N ATOM 508 CA ASP A 32 -5.253 -6.573 -9.170 1.00 14.01 C ATOM 509 C ASP A 32 -5.443 -7.856 -8.351 1.00 14.04 C ATOM 510 O ASP A 32 -6.063 -8.854 -8.759 1.00 13.39 O ATOM 511 CB ASP A 32 -3.763 -6.521 -9.754 1.00 18.01 C ATOM 512 CG ASP A 32 -3.770 -7.434 -10.958 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.188 -6.934 -12.076 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.416 -8.670 -10.787 1.00 25.17 O ATOM 0 H ASP A 32 -4.498 -4.839 -8.307 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.033 -6.608 -9.931 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.486 -5.505 -10.034 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.038 -6.856 -9.012 1.00 18.01 H new ATOM 519 N LYS A 33 -4.918 -7.891 -7.099 1.00 14.22 N ATOM 520 CA LYS A 33 -5.156 -9.069 -6.223 1.00 14.00 C ATOM 521 C LYS A 33 -6.517 -9.119 -5.600 1.00 12.37 C ATOM 522 O LYS A 33 -7.286 -10.057 -5.757 1.00 12.17 O ATOM 523 CB LYS A 33 -4.031 -9.234 -5.150 1.00 18.62 C ATOM 524 CG LYS A 33 -4.110 -10.454 -4.184 1.00 24.00 C ATOM 525 CD LYS A 33 -2.819 -10.709 -3.441 1.00 27.61 C ATOM 526 CE LYS A 33 -1.608 -11.079 -4.298 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.772 -12.444 -4.812 1.00 30.06 N ATOM 0 H LYS A 33 -4.350 -7.151 -6.686 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.118 -9.926 -6.896 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.076 -9.285 -5.673 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.014 -8.329 -4.543 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.910 -10.287 -3.463 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.376 -11.344 -4.754 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.572 -9.816 -2.867 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.989 -11.512 -2.724 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.506 -10.377 -5.126 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.695 -11.009 -3.707 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.949 -12.697 -5.395 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.849 -13.108 -4.015 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.635 -12.496 -5.390 1.00 30.06 H new ATOM 541 N GLU A 34 -6.905 -8.015 -4.930 1.00 10.11 N ATOM 542 CA GLU A 34 -8.050 -8.005 -3.991 1.00 10.07 C ATOM 543 C GLU A 34 -9.263 -7.280 -4.471 1.00 9.32 C ATOM 544 O GLU A 34 -10.306 -7.215 -3.791 1.00 11.61 O ATOM 545 CB GLU A 34 -7.602 -7.441 -2.612 1.00 14.77 C ATOM 546 CG GLU A 34 -6.571 -8.333 -1.880 1.00 18.75 C ATOM 547 CD GLU A 34 -7.214 -9.613 -1.431 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.197 -9.485 -0.676 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.781 -10.737 -1.750 1.00 25.19 O ATOM 0 H GLU A 34 -6.440 -7.112 -5.022 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.358 -9.047 -3.905 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.173 -6.449 -2.757 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.479 -7.319 -1.977 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.734 -8.552 -2.543 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.166 -7.801 -1.020 1.00 18.75 H new ATOM 556 N GLY A 35 -9.251 -6.702 -5.671 1.00 7.22 N ATOM 557 CA GLY A 35 -10.439 -6.047 -6.294 1.00 6.29 C ATOM 558 C GLY A 35 -10.775 -4.674 -5.763 1.00 6.93 C ATOM 559 O GLY A 35 -11.730 -4.068 -6.266 1.00 7.41 O ATOM 0 H GLY A 35 -8.417 -6.666 -6.257 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.269 -5.971 -7.368 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.305 -6.694 -6.153 1.00 6.29 H new ATOM 563 N ILE A 36 -10.000 -4.049 -4.813 1.00 5.86 N ATOM 564 CA ILE A 36 -10.239 -2.826 -4.104 1.00 6.07 C ATOM 565 C ILE A 36 -9.826 -1.642 -4.952 1.00 6.36 C ATOM 566 O ILE A 36 -8.609 -1.506 -5.212 1.00 6.18 O ATOM 567 CB ILE A 36 -9.573 -2.684 -2.733 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.824 -3.852 -1.747 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.102 -1.420 -2.087 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.754 -3.841 -0.617 1.00 9.49 C ATOM 0 H ILE A 36 -9.114 -4.464 -4.526 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.311 -2.853 -3.909 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.500 -2.670 -2.923 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.821 -3.765 -1.315 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.790 -4.802 -2.281 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.643 -1.293 -1.106 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.860 -0.562 -2.714 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.184 -1.494 -1.975 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.941 -4.667 0.070 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.762 -3.951 -1.054 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.809 -2.898 -0.073 1.00 9.49 H new ATOM 582 N PRO A 37 -10.667 -0.731 -5.395 1.00 8.65 N ATOM 583 CA PRO A 37 -10.193 0.476 -6.151 1.00 9.18 C ATOM 584 C PRO A 37 -9.060 1.340 -5.578 1.00 9.85 C ATOM 585 O PRO A 37 -9.162 1.565 -4.365 1.00 8.51 O ATOM 586 CB PRO A 37 -11.449 1.391 -6.100 1.00 11.42 C ATOM 587 CG PRO A 37 -12.582 0.417 -6.187 1.00 9.27 C ATOM 588 CD PRO A 37 -12.117 -0.677 -5.235 1.00 8.33 C ATOM 0 HA PRO A 37 -9.791 0.115 -7.098 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.487 1.972 -5.179 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.464 2.102 -6.926 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.528 0.859 -5.873 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.725 0.044 -7.201 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.391 -0.446 -4.206 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.576 -1.634 -5.481 1.00 8.33 H new ATOM 596 N PRO A 38 -7.983 1.779 -6.298 1.00 8.71 N ATOM 597 CA PRO A 38 -6.944 2.657 -5.729 1.00 9.08 C ATOM 598 C PRO A 38 -7.409 3.913 -5.031 1.00 9.28 C ATOM 599 O PRO A 38 -6.851 4.227 -3.981 1.00 6.50 O ATOM 600 CB PRO A 38 -6.080 3.080 -6.884 1.00 10.31 C ATOM 601 CG PRO A 38 -6.338 1.941 -7.877 1.00 10.81 C ATOM 602 CD PRO A 38 -7.780 1.360 -7.662 1.00 12.00 C ATOM 0 HA PRO A 38 -6.451 2.075 -4.950 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.374 4.050 -7.285 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.029 3.155 -6.607 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.233 2.307 -8.898 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.596 1.154 -7.742 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.513 1.785 -8.348 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.821 0.277 -7.782 1.00 12.00 H new ATOM 610 N ASP A 39 -8.439 4.620 -5.527 1.00 11.20 N ATOM 611 CA ASP A 39 -9.064 5.748 -4.863 1.00 14.96 C ATOM 612 C ASP A 39 -9.717 5.436 -3.496 1.00 13.99 C ATOM 613 O ASP A 39 -9.789 6.227 -2.602 1.00 13.75 O ATOM 614 CB ASP A 39 -10.365 6.151 -5.715 1.00 24.16 C ATOM 615 CG ASP A 39 -10.111 6.378 -7.201 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.574 5.479 -7.919 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.399 7.540 -7.678 1.00 35.55 O ATOM 0 H ASP A 39 -8.863 4.406 -6.429 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.261 6.478 -4.758 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.112 5.365 -5.604 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.793 7.059 -5.291 1.00 24.16 H new ATOM 622 N GLN A 40 -10.323 4.226 -3.316 1.00 11.60 N ATOM 623 CA GLN A 40 -10.839 3.697 -2.035 1.00 10.76 C ATOM 624 C GLN A 40 -9.778 3.112 -1.118 1.00 8.01 C ATOM 625 O GLN A 40 -10.016 2.961 0.106 1.00 8.96 O ATOM 626 CB GLN A 40 -11.937 2.559 -2.315 1.00 11.14 C ATOM 627 CG GLN A 40 -13.148 3.073 -3.069 1.00 14.85 C ATOM 628 CD GLN A 40 -14.295 2.016 -2.987 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.117 0.804 -3.081 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.584 2.535 -2.757 1.00 18.16 N ATOM 0 H GLN A 40 -10.466 3.577 -4.090 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.265 4.560 -1.523 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.477 1.752 -2.885 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.261 2.134 -1.365 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.480 4.020 -2.644 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.888 3.264 -4.110 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.722 3.543 -2.680 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.380 1.903 -2.667 1.00 18.16 H new ATOM 639 N GLN A 41 -8.556 2.712 -1.557 1.00 6.52 N ATOM 640 CA GLN A 41 -7.554 2.225 -0.603 1.00 3.87 C ATOM 641 C GLN A 41 -7.000 3.345 0.169 1.00 4.79 C ATOM 642 O GLN A 41 -6.927 4.458 -0.323 1.00 6.34 O ATOM 643 CB GLN A 41 -6.445 1.538 -1.288 1.00 4.20 C ATOM 644 CG GLN A 41 -6.932 0.363 -2.188 1.00 3.20 C ATOM 645 CD GLN A 41 -5.804 -0.262 -2.944 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.677 -0.334 -2.441 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.143 -0.775 -4.159 1.00 7.13 N ATOM 0 H GLN A 41 -8.258 2.719 -2.532 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.056 1.519 0.059 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.900 2.257 -1.899 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.745 1.156 -0.545 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.417 -0.392 -1.569 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.681 0.729 -2.890 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.097 -0.675 -4.507 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.443 -1.259 -4.721 1.00 7.13 H new ATOM 656 N ARG A 42 -6.571 3.141 1.428 1.00 5.73 N ATOM 657 CA ARG A 42 -5.635 3.945 2.132 1.00 6.97 C ATOM 658 C ARG A 42 -4.494 3.111 2.634 1.00 7.15 C ATOM 659 O ARG A 42 -4.635 2.066 3.270 1.00 7.33 O ATOM 660 CB ARG A 42 -6.248 4.566 3.429 1.00 13.23 C ATOM 661 CG ARG A 42 -7.135 5.802 3.231 1.00 21.27 C ATOM 662 CD ARG A 42 -7.827 6.293 4.511 1.00 26.14 C ATOM 663 NE ARG A 42 -6.736 7.083 5.281 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.480 7.045 6.579 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.274 6.464 7.490 1.00 35.30 N ATOM 666 NH2 ARG A 42 -5.433 7.720 7.069 1.00 36.39 N ATOM 0 H ARG A 42 -6.906 2.357 1.988 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.327 4.713 1.423 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.836 3.799 3.932 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.432 4.833 4.100 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.526 6.611 2.827 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.896 5.573 2.485 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.683 6.927 4.278 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -8.201 5.457 5.103 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.149 7.703 4.723 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.140 6.012 7.197 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.012 6.474 8.476 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -4.836 8.261 6.443 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -5.232 7.694 8.069 1.00 36.39 H new ATOM 680 N LEU A 43 -3.282 3.587 2.254 1.00 4.65 N ATOM 681 CA LEU A 43 -2.114 2.880 2.522 1.00 3.51 C ATOM 682 C LEU A 43 -1.313 3.531 3.661 1.00 5.56 C ATOM 683 O LEU A 43 -0.981 4.741 3.642 1.00 4.19 O ATOM 684 CB LEU A 43 -1.186 2.648 1.287 1.00 3.74 C ATOM 685 CG LEU A 43 -1.815 1.707 0.274 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.884 1.476 -0.945 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.164 0.330 0.868 1.00 6.41 C ATOM 0 H LEU A 43 -3.142 4.468 1.760 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.461 1.893 2.827 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.971 3.604 0.810 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.233 2.237 1.621 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.735 2.202 -0.038 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.367 0.798 -1.648 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.686 2.428 -1.437 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.056 1.039 -0.607 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.610 -0.297 0.096 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.257 -0.145 1.242 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.872 0.456 1.687 1.00 6.41 H new ATOM 699 N ILE A 44 -1.063 2.714 4.715 1.00 4.58 N ATOM 700 CA ILE A 44 -0.340 3.222 5.914 1.00 5.55 C ATOM 701 C ILE A 44 0.843 2.393 6.252 1.00 5.46 C ATOM 702 O ILE A 44 0.856 1.160 6.144 1.00 6.04 O ATOM 703 CB ILE A 44 -1.344 3.311 7.076 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.465 4.274 6.740 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.667 3.738 8.370 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.471 4.520 7.893 1.00 13.90 C ATOM 0 H ILE A 44 -1.339 1.733 4.764 1.00 4.58 H new ATOM 0 HA ILE A 44 0.061 4.214 5.704 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.760 2.314 7.223 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.030 5.229 6.445 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.009 3.891 5.876 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.408 3.790 9.168 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.102 3.012 8.635 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.210 4.718 8.235 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.238 5.221 7.563 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.939 3.577 8.175 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.945 4.935 8.753 1.00 13.90 H new ATOM 718 N PHE A 45 2.000 3.036 6.712 1.00 6.75 N ATOM 719 CA PHE A 45 3.214 2.345 7.114 1.00 4.70 C ATOM 720 C PHE A 45 3.745 2.988 8.436 1.00 6.34 C ATOM 721 O PHE A 45 3.995 4.178 8.575 1.00 5.45 O ATOM 722 CB PHE A 45 4.286 2.373 5.920 1.00 5.51 C ATOM 723 CG PHE A 45 5.581 1.721 6.312 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.676 0.375 6.524 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.758 2.521 6.458 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.911 -0.178 6.908 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.959 1.997 6.897 1.00 6.64 C ATOM 728 CZ PHE A 45 8.022 0.641 7.221 1.00 6.84 C ATOM 0 H PHE A 45 2.068 4.050 6.797 1.00 6.75 H new ATOM 0 HA PHE A 45 3.013 1.293 7.317 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.873 1.864 5.049 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.474 3.406 5.626 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.811 -0.259 6.398 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.706 3.572 6.216 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.014 -1.252 6.965 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.833 2.625 6.988 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.897 0.227 7.699 1.00 6.84 H new ATOM 738 N ALA A 46 3.874 2.225 9.534 1.00 6.53 N ATOM 739 CA ALA A 46 4.292 2.650 10.871 1.00 7.15 C ATOM 740 C ALA A 46 3.513 3.808 11.498 1.00 9.00 C ATOM 741 O ALA A 46 4.001 4.655 12.213 1.00 11.15 O ATOM 742 CB ALA A 46 5.855 2.915 10.986 1.00 8.99 C ATOM 0 H ALA A 46 3.674 1.225 9.504 1.00 6.53 H new ATOM 0 HA ALA A 46 4.031 1.775 11.467 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.097 3.227 12.002 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.398 2.000 10.748 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.143 3.700 10.287 1.00 8.99 H new ATOM 748 N GLY A 47 2.153 3.900 11.233 1.00 9.35 N ATOM 749 CA GLY A 47 1.313 5.041 11.632 1.00 11.68 C ATOM 750 C GLY A 47 1.359 6.225 10.689 1.00 11.14 C ATOM 751 O GLY A 47 0.842 7.279 11.061 1.00 13.93 O ATOM 0 H GLY A 47 1.637 3.173 10.737 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.281 4.702 11.716 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.622 5.372 12.624 1.00 11.68 H new ATOM 755 N LYS A 48 2.093 6.032 9.535 1.00 10.47 N ATOM 756 CA LYS A 48 2.335 7.201 8.710 1.00 8.82 C ATOM 757 C LYS A 48 1.684 7.105 7.343 1.00 7.68 C ATOM 758 O LYS A 48 1.685 6.061 6.680 1.00 6.47 O ATOM 759 CB LYS A 48 3.878 7.393 8.435 1.00 9.74 C ATOM 760 CG LYS A 48 4.604 7.681 9.712 1.00 14.14 C ATOM 761 CD LYS A 48 4.269 9.093 10.175 1.00 16.32 C ATOM 762 CE LYS A 48 5.567 9.714 10.739 1.00 20.04 C ATOM 763 NZ LYS A 48 5.366 11.125 11.034 1.00 23.92 N ATOM 0 H LYS A 48 2.482 5.149 9.205 1.00 10.47 H new ATOM 0 HA LYS A 48 1.911 8.032 9.274 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.286 6.494 7.972 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.029 8.211 7.731 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.319 6.958 10.477 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.679 7.580 9.563 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.887 9.689 9.346 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.490 9.072 10.938 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.868 9.186 11.644 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.377 9.598 10.018 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.246 11.529 11.412 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.100 11.627 10.163 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.607 11.228 11.738 1.00 23.92 H new ATOM 777 N GLN A 49 1.105 8.186 6.907 1.00 8.89 N ATOM 778 CA GLN A 49 0.378 8.191 5.655 1.00 7.18 C ATOM 779 C GLN A 49 1.294 8.260 4.467 1.00 8.23 C ATOM 780 O GLN A 49 2.419 8.723 4.580 1.00 9.70 O ATOM 781 CB GLN A 49 -0.569 9.368 5.629 1.00 11.67 C ATOM 782 CG GLN A 49 -1.735 9.313 6.613 1.00 15.82 C ATOM 783 CD GLN A 49 -2.873 10.268 6.158 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.954 9.836 5.750 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.445 11.578 6.055 1.00 20.67 N ATOM 0 H GLN A 49 1.118 9.081 7.396 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.175 7.254 5.591 1.00 7.18 H new ATOM 0 HB2 GLN A 49 0.004 10.274 5.826 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.974 9.460 4.621 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.113 8.293 6.682 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.392 9.594 7.609 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.532 11.847 6.422 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.042 12.276 5.612 1.00 20.67 H new ATOM 794 N LEU A 50 0.834 7.897 3.256 1.00 6.51 N ATOM 795 CA LEU A 50 1.790 7.681 2.162 1.00 7.41 C ATOM 796 C LEU A 50 1.258 8.471 0.958 1.00 8.27 C ATOM 797 O LEU A 50 0.162 8.252 0.462 1.00 8.34 O ATOM 798 CB LEU A 50 2.078 6.199 1.793 1.00 7.13 C ATOM 799 CG LEU A 50 2.301 5.171 2.970 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.466 3.781 2.409 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.635 5.595 3.655 1.00 9.11 C ATOM 0 H LEU A 50 -0.147 7.753 3.018 1.00 6.51 H new ATOM 0 HA LEU A 50 2.767 8.032 2.495 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.246 5.838 1.188 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.965 6.179 1.160 1.00 7.13 H new ATOM 0 HG LEU A 50 1.459 5.169 3.663 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.620 3.075 3.225 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.570 3.504 1.854 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.328 3.758 1.742 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.849 4.920 4.484 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.447 5.548 2.930 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.543 6.614 4.032 1.00 9.11 H new ATOM 813 N GLU A 51 1.955 9.497 0.324 1.00 9.43 N ATOM 814 CA GLU A 51 1.548 10.116 -0.941 1.00 11.90 C ATOM 815 C GLU A 51 1.606 9.078 -2.046 1.00 11.49 C ATOM 816 O GLU A 51 2.389 8.150 -2.118 1.00 9.88 O ATOM 817 CB GLU A 51 2.408 11.419 -1.236 1.00 16.56 C ATOM 818 CG GLU A 51 2.007 12.568 -0.324 1.00 26.06 C ATOM 819 CD GLU A 51 2.610 13.858 -0.859 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.325 14.290 -2.000 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.358 14.526 -0.058 1.00 33.44 O ATOM 0 H GLU A 51 2.813 9.894 0.706 1.00 9.43 H new ATOM 0 HA GLU A 51 0.516 10.461 -0.879 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.466 11.197 -1.099 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.276 11.716 -2.277 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.921 12.651 -0.278 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.356 12.382 0.692 1.00 26.06 H new ATOM 828 N ASP A 52 0.636 9.237 -3.007 1.00 12.71 N ATOM 829 CA ASP A 52 0.353 8.391 -4.189 1.00 16.56 C ATOM 830 C ASP A 52 1.617 8.353 -5.095 1.00 15.83 C ATOM 831 O ASP A 52 2.151 7.372 -5.590 1.00 17.21 O ATOM 832 CB ASP A 52 -0.933 8.832 -4.886 1.00 21.05 C ATOM 833 CG ASP A 52 -2.072 9.022 -3.970 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.539 8.089 -3.251 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.622 10.172 -3.949 1.00 25.82 O ATOM 0 H ASP A 52 -0.010 10.025 -2.959 1.00 12.71 H new ATOM 0 HA ASP A 52 0.153 7.361 -3.893 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.746 9.766 -5.416 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.202 8.088 -5.636 1.00 21.05 H new ATOM 840 N GLY A 53 2.099 9.501 -5.480 1.00 15.00 N ATOM 841 CA GLY A 53 3.284 9.748 -6.331 1.00 11.77 C ATOM 842 C GLY A 53 4.592 9.613 -5.696 1.00 11.10 C ATOM 843 O GLY A 53 5.618 9.863 -6.319 1.00 11.25 O ATOM 0 H GLY A 53 1.655 10.374 -5.197 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.244 9.061 -7.176 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.206 10.757 -6.737 1.00 11.77 H new ATOM 847 N ARG A 54 4.656 9.281 -4.411 1.00 8.53 N ATOM 848 CA ARG A 54 5.871 8.926 -3.771 1.00 9.05 C ATOM 849 C ARG A 54 6.125 7.503 -3.949 1.00 8.96 C ATOM 850 O ARG A 54 5.323 6.751 -4.432 1.00 11.60 O ATOM 851 CB ARG A 54 5.842 9.449 -2.283 1.00 7.97 C ATOM 852 CG ARG A 54 6.045 10.947 -2.045 1.00 9.62 C ATOM 853 CD ARG A 54 7.498 11.451 -2.181 1.00 12.20 C ATOM 854 NE ARG A 54 7.623 12.932 -1.904 1.00 18.23 N ATOM 855 CZ ARG A 54 8.725 13.649 -1.634 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.915 13.040 -1.607 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.609 14.963 -1.460 1.00 23.38 N ATOM 0 H ARG A 54 3.843 9.257 -3.796 1.00 8.53 H new ATOM 0 HA ARG A 54 6.734 9.413 -4.226 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.882 9.169 -1.849 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.612 8.915 -1.726 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.421 11.497 -2.749 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.687 11.190 -1.045 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.137 10.900 -1.491 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.860 11.241 -3.187 1.00 12.20 H new ATOM 0 HE ARG A 54 6.750 13.459 -1.925 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.980 12.039 -1.791 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.758 13.577 -1.403 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.694 15.408 -1.533 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.435 15.525 -1.254 1.00 23.38 H new ATOM 871 N THR A 55 7.392 7.050 -3.571 1.00 9.05 N ATOM 872 CA THR A 55 7.928 5.689 -3.773 1.00 9.03 C ATOM 873 C THR A 55 8.188 5.046 -2.458 1.00 8.15 C ATOM 874 O THR A 55 8.406 5.766 -1.457 1.00 5.91 O ATOM 875 CB THR A 55 9.250 5.619 -4.609 1.00 11.15 C ATOM 876 OG1 THR A 55 10.342 6.528 -4.239 1.00 11.95 O ATOM 877 CG2 THR A 55 8.913 5.956 -6.076 1.00 11.71 C ATOM 0 H THR A 55 8.062 7.663 -3.107 1.00 9.05 H new ATOM 0 HA THR A 55 7.159 5.168 -4.344 1.00 9.03 H new ATOM 0 HB THR A 55 9.615 4.609 -4.420 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.106 6.382 -4.835 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.821 5.913 -6.677 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.190 5.235 -6.458 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.489 6.959 -6.131 1.00 11.71 H new ATOM 885 N LEU A 56 8.243 3.680 -2.426 1.00 6.91 N ATOM 886 CA LEU A 56 8.541 2.829 -1.283 1.00 8.29 C ATOM 887 C LEU A 56 9.947 3.099 -0.633 1.00 8.05 C ATOM 888 O LEU A 56 10.095 3.154 0.572 1.00 10.17 O ATOM 889 CB LEU A 56 8.509 1.330 -1.704 1.00 6.60 C ATOM 890 CG LEU A 56 7.091 0.786 -2.128 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.123 -0.268 -3.234 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.329 0.232 -0.913 1.00 8.64 C ATOM 0 H LEU A 56 8.065 3.130 -3.266 1.00 6.91 H new ATOM 0 HA LEU A 56 7.773 3.066 -0.546 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.200 1.187 -2.535 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.879 0.727 -0.875 1.00 6.60 H new ATOM 0 HG LEU A 56 6.570 1.651 -2.539 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.106 -0.586 -3.463 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.580 0.156 -4.128 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.706 -1.127 -2.901 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.354 -0.137 -1.232 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.898 -0.584 -0.468 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.194 1.024 -0.176 1.00 8.64 H new ATOM 904 N SER A 57 11.019 3.409 -1.466 1.00 8.92 N ATOM 905 CA SER A 57 12.384 3.835 -0.963 1.00 9.00 C ATOM 906 C SER A 57 12.304 5.147 -0.362 1.00 9.44 C ATOM 907 O SER A 57 13.063 5.428 0.563 1.00 10.91 O ATOM 908 CB SER A 57 13.466 3.926 -2.128 1.00 10.32 C ATOM 909 OG SER A 57 13.360 5.056 -2.961 1.00 13.59 O ATOM 0 H SER A 57 10.957 3.370 -2.483 1.00 8.92 H new ATOM 0 HA SER A 57 12.691 3.076 -0.244 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.460 3.917 -1.680 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.387 3.031 -2.745 1.00 10.32 H new ATOM 0 HG SER A 57 14.064 5.027 -3.643 1.00 13.59 H new ATOM 915 N ASP A 58 11.423 6.110 -0.778 1.00 9.11 N ATOM 916 CA ASP A 58 11.231 7.432 -0.152 1.00 7.91 C ATOM 917 C ASP A 58 10.734 7.297 1.295 1.00 9.12 C ATOM 918 O ASP A 58 11.193 8.087 2.158 1.00 8.61 O ATOM 919 CB ASP A 58 10.298 8.339 -1.023 1.00 8.41 C ATOM 920 CG ASP A 58 10.486 9.806 -0.905 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.351 10.322 0.270 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.579 10.444 -1.993 1.00 11.70 O ATOM 0 H ASP A 58 10.815 5.969 -1.584 1.00 9.11 H new ATOM 0 HA ASP A 58 12.200 7.929 -0.105 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.436 8.062 -2.068 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.264 8.108 -0.766 1.00 8.41 H new ATOM 927 N TYR A 59 9.857 6.285 1.540 1.00 7.97 N ATOM 928 CA TYR A 59 9.361 5.943 2.914 1.00 8.45 C ATOM 929 C TYR A 59 10.233 4.803 3.530 1.00 10.98 C ATOM 930 O TYR A 59 9.921 4.468 4.669 1.00 12.95 O ATOM 931 CB TYR A 59 7.842 5.462 2.856 1.00 7.94 C ATOM 932 CG TYR A 59 6.911 6.535 2.490 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.712 7.555 3.435 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.276 6.610 1.223 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.888 8.616 3.119 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.545 7.724 0.861 1.00 6.52 C ATOM 937 CZ TYR A 59 5.336 8.755 1.838 1.00 6.76 C ATOM 938 OH TYR A 59 4.679 9.936 1.423 1.00 7.63 O ATOM 0 H TYR A 59 9.475 5.688 0.806 1.00 7.97 H new ATOM 0 HA TYR A 59 9.432 6.837 3.534 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.752 4.650 2.135 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.558 5.059 3.828 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.198 7.509 4.398 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.366 5.784 0.533 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.664 9.355 3.874 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.139 7.818 -0.135 1.00 6.52 H new ATOM 0 HH TYR A 59 5.330 10.547 1.019 1.00 7.63 H new ATOM 948 N ASN A 60 11.421 4.454 2.871 1.00 12.38 N ATOM 949 CA ASN A 60 12.469 3.538 3.266 1.00 13.94 C ATOM 950 C ASN A 60 11.865 2.134 3.684 1.00 14.16 C ATOM 951 O ASN A 60 12.133 1.610 4.763 1.00 14.26 O ATOM 952 CB ASN A 60 13.455 4.083 4.371 1.00 19.23 C ATOM 953 CG ASN A 60 13.919 5.481 4.035 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.434 6.435 4.691 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.894 5.603 3.115 1.00 24.09 N ATOM 0 H ASN A 60 11.639 4.876 1.969 1.00 12.38 H new ATOM 0 HA ASN A 60 13.088 3.419 2.377 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.957 4.084 5.341 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.316 3.420 4.455 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.290 6.520 2.911 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.236 4.778 2.622 1.00 24.09 H new ATOM 962 N ILE A 61 11.076 1.570 2.751 1.00 11.08 N ATOM 963 CA ILE A 61 10.346 0.342 3.016 1.00 11.78 C ATOM 964 C ILE A 61 11.207 -0.653 2.325 1.00 13.74 C ATOM 965 O ILE A 61 11.283 -0.790 1.080 1.00 14.60 O ATOM 966 CB ILE A 61 8.894 0.247 2.527 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.184 1.622 2.843 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.340 -0.952 3.290 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.712 1.727 2.410 1.00 11.42 C ATOM 0 H ILE A 61 10.936 1.952 1.816 1.00 11.08 H new ATOM 0 HA ILE A 61 10.195 0.216 4.088 1.00 11.78 H new ATOM 0 HB ILE A 61 8.754 0.093 1.457 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.242 1.801 3.917 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.745 2.420 2.356 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.298 -1.110 3.012 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.920 -1.841 3.042 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.405 -0.763 4.362 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.324 2.711 2.675 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.639 1.586 1.332 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.128 0.958 2.916 1.00 11.42 H new ATOM 981 N GLN A 62 11.884 -1.473 3.141 1.00 13.97 N ATOM 982 CA GLN A 62 12.691 -2.594 2.752 1.00 15.52 C ATOM 983 C GLN A 62 11.912 -3.976 2.482 1.00 13.94 C ATOM 984 O GLN A 62 10.739 -4.081 2.758 1.00 12.15 O ATOM 985 CB GLN A 62 13.859 -2.785 3.745 1.00 19.53 C ATOM 986 CG GLN A 62 14.952 -1.705 3.839 1.00 26.38 C ATOM 987 CD GLN A 62 16.138 -2.291 4.655 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.737 -3.278 4.247 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.345 -1.842 5.897 1.00 32.71 N ATOM 0 H GLN A 62 11.869 -1.346 4.153 1.00 13.97 H new ATOM 0 HA GLN A 62 13.074 -2.328 1.767 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.428 -2.902 4.739 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.349 -3.726 3.497 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.283 -1.411 2.843 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.562 -0.810 4.323 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.844 -1.019 6.232 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.004 -2.322 6.510 1.00 32.71 H new ATOM 998 N LYS A 63 12.615 -5.020 1.918 1.00 11.73 N ATOM 999 CA LYS A 63 12.092 -6.434 1.855 1.00 11.97 C ATOM 1000 C LYS A 63 11.444 -6.994 3.084 1.00 10.41 C ATOM 1001 O LYS A 63 11.977 -6.993 4.211 1.00 9.59 O ATOM 1002 CB LYS A 63 13.166 -7.393 1.299 1.00 13.73 C ATOM 1003 CG LYS A 63 14.432 -7.463 2.197 1.00 16.98 C ATOM 1004 CD LYS A 63 15.604 -8.244 1.560 1.00 20.19 C ATOM 1005 CE LYS A 63 15.353 -9.762 1.310 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.064 -10.274 0.128 1.00 25.97 N ATOM 0 H LYS A 63 13.540 -4.908 1.503 1.00 11.73 H new ATOM 0 HA LYS A 63 11.253 -6.354 1.164 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.740 -8.391 1.201 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.453 -7.069 0.298 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.763 -6.449 2.423 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.168 -7.931 3.145 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.853 -7.775 0.608 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.477 -8.141 2.204 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.666 -10.326 2.188 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.284 -9.933 1.186 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.860 -11.287 0.012 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.748 -9.758 -0.718 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.088 -10.139 0.253 1.00 25.97 H new ATOM 1020 N GLU A 64 10.249 -7.503 2.938 1.00 10.04 N ATOM 1021 CA GLU A 64 9.495 -8.268 3.926 1.00 10.94 C ATOM 1022 C GLU A 64 9.081 -7.419 5.143 1.00 9.74 C ATOM 1023 O GLU A 64 8.764 -7.930 6.208 1.00 9.42 O ATOM 1024 CB GLU A 64 10.260 -9.557 4.429 1.00 18.31 C ATOM 1025 CG GLU A 64 10.620 -10.410 3.187 1.00 24.16 C ATOM 1026 CD GLU A 64 11.137 -11.795 3.653 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.243 -11.965 4.292 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.410 -12.782 3.456 1.00 31.72 O ATOM 0 H GLU A 64 9.730 -7.392 2.067 1.00 10.04 H new ATOM 0 HA GLU A 64 8.597 -8.587 3.397 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.161 -9.278 4.975 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.636 -10.128 5.116 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.745 -10.531 2.548 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.382 -9.905 2.593 1.00 24.16 H new ATOM 1035 N SER A 65 8.995 -6.084 4.980 1.00 6.85 N ATOM 1036 CA SER A 65 8.340 -5.126 5.906 1.00 6.90 C ATOM 1037 C SER A 65 6.873 -5.401 5.975 1.00 4.72 C ATOM 1038 O SER A 65 6.267 -6.066 5.123 1.00 3.91 O ATOM 1039 CB SER A 65 8.556 -3.619 5.480 1.00 7.28 C ATOM 1040 OG SER A 65 9.951 -3.266 5.465 1.00 10.56 O ATOM 0 H SER A 65 9.396 -5.619 4.165 1.00 6.85 H new ATOM 0 HA SER A 65 8.805 -5.269 6.881 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.128 -3.455 4.491 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.022 -2.965 6.170 1.00 7.28 H new ATOM 0 HG SER A 65 10.337 -3.496 4.594 1.00 10.56 H new ATOM 1046 N THR A 66 6.167 -4.969 7.077 1.00 4.48 N ATOM 1047 CA THR A 66 4.723 -5.007 7.241 1.00 3.80 C ATOM 1048 C THR A 66 4.078 -3.674 7.002 1.00 4.60 C ATOM 1049 O THR A 66 4.530 -2.626 7.461 1.00 5.33 O ATOM 1050 CB THR A 66 4.210 -5.511 8.552 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.798 -6.786 8.776 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.665 -5.764 8.536 1.00 3.40 C ATOM 0 H THR A 66 6.637 -4.574 7.891 1.00 4.48 H new ATOM 0 HA THR A 66 4.445 -5.735 6.479 1.00 3.80 H new ATOM 0 HB THR A 66 4.449 -4.763 9.308 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.483 -7.146 9.631 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.346 -6.129 9.512 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.146 -4.833 8.309 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.426 -6.507 7.775 1.00 3.40 H new ATOM 1060 N LEU A 67 3.063 -3.656 6.098 1.00 4.17 N ATOM 1061 CA LEU A 67 2.380 -2.438 5.664 1.00 3.85 C ATOM 1062 C LEU A 67 0.917 -2.589 5.985 1.00 3.80 C ATOM 1063 O LEU A 67 0.425 -3.650 6.236 1.00 5.54 O ATOM 1064 CB LEU A 67 2.472 -2.339 4.062 1.00 7.18 C ATOM 1065 CG LEU A 67 3.686 -1.597 3.548 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.996 -2.461 3.732 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.509 -1.221 2.039 1.00 11.66 C ATOM 0 H LEU A 67 2.703 -4.501 5.654 1.00 4.17 H new ATOM 0 HA LEU A 67 2.826 -1.569 6.149 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.476 -3.347 3.648 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.575 -1.845 3.689 1.00 7.18 H new ATOM 0 HG LEU A 67 3.785 -0.682 4.131 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.854 -1.905 3.355 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.142 -2.680 4.790 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.897 -3.395 3.179 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.394 -0.688 1.691 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.377 -2.129 1.451 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.633 -0.583 1.923 1.00 11.66 H new ATOM 1079 N HIS A 68 0.145 -1.493 5.914 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.248 -1.575 6.301 1.00 4.17 C ATOM 1081 C HIS A 68 -2.175 -1.057 5.245 1.00 5.32 C ATOM 1082 O HIS A 68 -1.854 -0.190 4.423 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.700 -0.862 7.555 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.996 -1.478 8.801 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.139 -0.922 9.310 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.049 -2.711 9.412 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.731 -1.789 10.190 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.017 -2.928 10.271 1.00 16.30 N ATOM 0 H HIS A 68 0.459 -0.574 5.602 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.302 -2.649 6.477 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.467 0.200 7.483 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.782 -0.944 7.660 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.836 -3.431 9.241 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.639 -1.588 10.739 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.214 -3.756 10.833 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.328 -1.672 5.116 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.303 -1.364 4.134 1.00 3.97 C ATOM 1098 C LEU A 69 -5.599 -1.069 4.819 1.00 5.07 C ATOM 1099 O LEU A 69 -6.094 -1.903 5.558 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.523 -2.603 3.167 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.818 -2.609 2.343 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.924 -1.454 1.351 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.794 -3.903 1.492 1.00 9.96 C ATOM 0 H LEU A 69 -3.611 -2.436 5.730 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.963 -0.506 3.554 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.680 -2.651 2.478 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.497 -3.513 3.767 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.651 -2.530 3.042 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.866 -1.527 0.807 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.889 -0.507 1.890 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.093 -1.502 0.647 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.698 -3.956 0.885 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.919 -3.895 0.842 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.748 -4.771 2.150 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.080 0.225 4.596 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.239 0.752 5.359 1.00 6.26 C ATOM 1117 C VAL A 70 -8.234 1.181 4.250 1.00 9.22 C ATOM 1118 O VAL A 70 -7.815 1.445 3.097 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.781 1.868 6.310 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.910 2.851 6.734 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.186 1.143 7.549 1.00 8.54 C ATOM 0 H VAL A 70 -5.684 0.876 3.918 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.720 0.040 6.030 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.056 2.503 5.800 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.501 3.607 7.405 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.322 3.336 5.849 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.699 2.300 7.246 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.838 1.882 8.271 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.953 0.519 8.009 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.349 0.518 7.238 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.533 1.108 4.533 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.563 1.413 3.571 1.00 16.06 C ATOM 1133 C LEU A 71 -11.112 2.831 3.757 1.00 18.09 C ATOM 1134 O LEU A 71 -11.328 3.238 4.910 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.665 0.400 3.707 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.686 0.327 2.544 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.025 -0.161 1.250 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.800 -0.640 2.796 1.00 19.57 C ATOM 0 H LEU A 71 -9.892 0.832 5.447 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.133 1.367 2.570 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.211 -0.584 3.824 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.210 0.611 4.627 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.069 1.344 2.461 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.769 -0.201 0.454 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.227 0.526 0.967 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.608 -1.156 1.407 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.479 -0.643 1.944 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.389 -1.640 2.936 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.344 -0.343 3.693 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.384 3.528 2.661 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.155 4.705 2.703 1.00 25.83 C ATOM 1152 C ARG A 72 -13.465 4.489 1.902 1.00 27.74 C ATOM 1153 O ARG A 72 -13.450 4.122 0.708 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.440 5.896 1.967 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.082 7.292 2.298 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.065 8.329 1.831 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.818 9.666 2.019 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.492 10.840 1.431 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.456 10.953 0.608 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.220 11.898 1.656 1.00 35.02 N ATOM 0 H ARG A 72 -11.062 3.269 1.728 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.319 4.931 3.757 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.387 5.910 2.247 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.481 5.729 0.891 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.035 7.418 1.784 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.280 7.390 3.365 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.151 8.294 2.425 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.776 8.171 0.792 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.629 9.663 2.638 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.877 10.139 0.402 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.239 11.854 0.182 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.030 11.838 2.273 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.979 12.786 1.216 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.621 4.806 2.504 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.879 4.753 1.856 1.00 30.76 C ATOM 1176 C LEU A 73 -16.274 6.206 1.515 1.00 32.18 C ATOM 1177 O LEU A 73 -15.746 7.169 2.124 1.00 32.31 O ATOM 1178 CB LEU A 73 -17.017 3.992 2.652 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.727 2.587 3.074 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.843 1.915 3.911 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.492 1.667 1.811 1.00 29.11 C ATOM 0 H LEU A 73 -14.676 5.109 3.476 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.774 4.147 0.956 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -17.252 4.572 3.544 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.914 3.981 2.033 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.840 2.676 3.701 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.542 0.900 4.170 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -18.009 2.488 4.823 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.765 1.883 3.330 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.282 0.648 2.137 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.385 1.672 1.186 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.646 2.046 1.237 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.187 6.511 0.565 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.713 7.851 0.304 1.00 35.33 C ATOM 1195 C ARG A 74 -18.272 8.567 1.530 1.00 36.22 C ATOM 1196 O ARG A 74 -18.710 7.966 2.508 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.780 7.776 -0.882 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.164 7.570 -2.292 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.120 7.925 -3.455 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.336 7.507 -4.687 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.878 8.310 -5.671 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.856 9.633 -5.468 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.352 7.812 -6.767 1.00 41.93 N ATOM 0 H ARG A 74 -17.583 5.804 -0.054 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.867 8.470 0.004 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.472 6.959 -0.679 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.365 8.696 -0.886 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.264 8.179 -2.376 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.855 6.530 -2.394 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.065 7.388 -3.378 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.358 8.989 -3.471 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.134 6.512 -4.781 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.182 10.018 -4.582 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.513 10.256 -6.200 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.284 6.801 -6.886 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.012 8.436 -7.499 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.278 9.932 1.623 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.801 10.679 2.753 1.00 36.07 C ATOM 1219 C GLY A 75 -17.852 10.765 3.921 1.00 36.16 C ATOM 1220 O GLY A 75 -18.184 11.328 4.969 1.00 36.26 O ATOM 0 H GLY A 75 -17.906 10.532 0.887 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.050 11.688 2.425 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.729 10.214 3.085 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.676 10.179 3.784 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.606 10.258 4.778 1.00 36.19 C ATOM 1226 C GLY A 76 -14.285 10.697 4.111 1.00 36.20 C ATOM 1227 O GLY A 76 -14.301 11.732 3.437 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.280 9.941 4.257 1.00 0.00 O ATOM 0 H GLY A 76 -16.427 9.623 2.966 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.879 10.966 5.560 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.474 9.288 5.258 1.00 36.19 H new TER 1232 GLY A 76