USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 180:sc= 0.683 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0231) USER MOD Single : A 1 MET N :NH3+ -172:sc= 2.39 (180deg=2.28) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.18) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00391 USER MOD Single : A 14 THR OG1 : rot -59:sc= 0.0124 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 25 ASN : amide:sc= -0.707 K(o=-0.71,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 1.13 (180deg=1.01) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= -0.0879 (180deg=-0.299) USER MOD Single : A 31 GLN : amide:sc= -0.457 K(o=-0.46,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc=-0.000377 (180deg=-0.000377) USER MOD Single : A 40 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.78) USER MOD Single : A 41 GLN : amide:sc= -0.218 K(o=-0.22,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 55 THR OG1 : rot -64:sc= 1.23 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.382 USER MOD Single : A 60 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.141 K(o=0.14,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 106:sc= 0.81 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0162 K(o=0.016,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.353 -7.433 -5.026 1.00 9.67 N ATOM 2 CA MET A 1 11.215 -7.846 -3.555 1.00 10.38 C ATOM 3 C MET A 1 9.769 -7.829 -3.092 1.00 9.62 C ATOM 4 O MET A 1 8.863 -7.233 -3.699 1.00 9.62 O ATOM 5 CB MET A 1 12.110 -7.040 -2.580 1.00 13.77 C ATOM 6 CG MET A 1 11.861 -5.547 -2.478 1.00 16.29 C ATOM 7 SD MET A 1 10.548 -5.149 -1.253 1.00 17.17 S ATOM 8 CE MET A 1 10.938 -3.397 -1.418 1.00 16.11 C ATOM 0 H1 MET A 1 12.333 -7.587 -5.340 1.00 9.67 H new ATOM 0 H2 MET A 1 10.709 -8.005 -5.609 1.00 9.67 H new ATOM 0 H3 MET A 1 11.111 -6.427 -5.128 1.00 9.67 H new ATOM 0 HA MET A 1 11.580 -8.873 -3.523 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.996 -7.469 -1.585 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.149 -7.189 -2.875 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.786 -5.044 -2.195 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.574 -5.160 -3.456 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.227 -2.810 -0.836 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.948 -3.213 -1.051 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.875 -3.107 -2.467 1.00 16.11 H new ATOM 20 N GLN A 2 9.497 -8.377 -1.933 1.00 9.27 N ATOM 21 CA GLN A 2 8.163 -8.599 -1.465 1.00 9.07 C ATOM 22 C GLN A 2 7.874 -7.968 -0.182 1.00 8.72 C ATOM 23 O GLN A 2 8.654 -8.132 0.743 1.00 8.22 O ATOM 24 CB GLN A 2 7.884 -10.143 -1.313 1.00 14.46 C ATOM 25 CG GLN A 2 7.798 -10.917 -2.626 1.00 17.01 C ATOM 26 CD GLN A 2 7.857 -12.451 -2.483 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.096 -12.967 -1.427 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.816 -13.175 -3.628 1.00 19.49 N ATOM 0 H GLN A 2 10.217 -8.686 -1.279 1.00 9.27 H new ATOM 0 HA GLN A 2 7.518 -8.145 -2.217 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.673 -10.581 -0.702 1.00 14.46 H new ATOM 0 HB3 GLN A 2 6.949 -10.276 -0.769 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.868 -10.649 -3.128 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.614 -10.596 -3.274 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.611 -12.715 -4.515 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.990 -14.180 -3.603 1.00 19.49 H new ATOM 37 N ILE A 3 6.719 -7.314 -0.143 1.00 5.87 N ATOM 38 CA ILE A 3 6.164 -6.599 0.972 1.00 5.07 C ATOM 39 C ILE A 3 4.834 -7.224 1.316 1.00 4.01 C ATOM 40 O ILE A 3 4.177 -7.853 0.519 1.00 4.61 O ATOM 41 CB ILE A 3 6.007 -5.097 0.776 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.127 -4.744 -0.427 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.373 -4.460 0.642 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.611 -3.287 -0.408 1.00 10.83 C ATOM 0 H ILE A 3 6.109 -7.274 -0.959 1.00 5.87 H new ATOM 0 HA ILE A 3 6.883 -6.688 1.786 1.00 5.07 H new ATOM 0 HB ILE A 3 5.498 -4.702 1.655 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.695 -4.908 -1.343 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.274 -5.423 -0.455 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.261 -3.385 0.502 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.953 -4.650 1.545 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.890 -4.886 -0.218 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.995 -3.108 -1.289 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.016 -3.124 0.490 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.458 -2.601 -0.412 1.00 10.83 H new ATOM 56 N PHE A 4 4.391 -7.127 2.574 1.00 4.55 N ATOM 57 CA PHE A 4 3.174 -7.796 3.058 1.00 4.68 C ATOM 58 C PHE A 4 2.181 -6.754 3.405 1.00 5.30 C ATOM 59 O PHE A 4 2.443 -5.898 4.259 1.00 5.58 O ATOM 60 CB PHE A 4 3.466 -8.687 4.336 1.00 4.83 C ATOM 61 CG PHE A 4 4.570 -9.736 4.063 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.598 -10.461 2.861 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.596 -9.967 5.019 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.644 -11.401 2.579 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.590 -11.015 4.763 1.00 10.61 C ATOM 66 CZ PHE A 4 6.585 -11.662 3.564 1.00 8.90 C ATOM 0 H PHE A 4 4.868 -6.580 3.291 1.00 4.55 H new ATOM 0 HA PHE A 4 2.798 -8.453 2.274 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.769 -8.047 5.164 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.551 -9.193 4.643 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.815 -10.308 2.133 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.643 -9.378 5.923 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.698 -11.895 1.620 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.319 -11.271 5.518 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.343 -12.407 3.373 1.00 8.90 H new ATOM 76 N VAL A 5 1.053 -6.731 2.653 1.00 4.44 N ATOM 77 CA VAL A 5 0.087 -5.696 2.858 1.00 3.87 C ATOM 78 C VAL A 5 -1.138 -6.303 3.502 1.00 4.93 C ATOM 79 O VAL A 5 -1.842 -7.198 3.000 1.00 6.84 O ATOM 80 CB VAL A 5 -0.275 -4.885 1.648 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.232 -3.785 2.030 1.00 5.28 C ATOM 82 CG2 VAL A 5 1.063 -4.330 1.130 1.00 9.13 C ATOM 0 H VAL A 5 0.820 -7.409 1.927 1.00 4.44 H new ATOM 0 HA VAL A 5 0.558 -4.964 3.513 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.781 -5.470 0.880 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.488 -3.202 1.145 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.137 -4.221 2.452 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.763 -3.135 2.769 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.886 -3.723 0.242 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.526 -3.716 1.903 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.727 -5.157 0.877 1.00 9.13 H new ATOM 92 N LYS A 6 -1.383 -5.872 4.794 1.00 6.04 N ATOM 93 CA LYS A 6 -2.144 -6.474 5.850 1.00 6.12 C ATOM 94 C LYS A 6 -3.281 -5.591 6.364 1.00 6.57 C ATOM 95 O LYS A 6 -3.144 -4.422 6.708 1.00 5.76 O ATOM 96 CB LYS A 6 -1.184 -6.878 6.934 1.00 7.45 C ATOM 97 CG LYS A 6 -1.839 -7.674 8.079 1.00 11.12 C ATOM 98 CD LYS A 6 -0.789 -8.193 9.092 1.00 14.54 C ATOM 99 CE LYS A 6 -1.454 -9.163 10.116 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.494 -9.630 10.988 1.00 20.55 N ATOM 0 H LYS A 6 -0.985 -4.987 5.109 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.658 -7.354 5.462 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.387 -7.479 6.496 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.718 -5.983 7.346 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.561 -7.041 8.595 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.393 -8.517 7.665 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.013 -8.707 8.563 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.336 -7.353 9.619 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.241 -8.647 10.666 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.924 -9.996 9.593 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.933 -10.278 11.673 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.242 -10.136 10.455 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.066 -8.829 11.494 1.00 20.55 H new ATOM 114 N THR A 7 -4.478 -6.243 6.505 1.00 7.41 N ATOM 115 CA THR A 7 -5.646 -5.540 6.944 1.00 7.48 C ATOM 116 C THR A 7 -5.772 -5.505 8.461 1.00 8.75 C ATOM 117 O THR A 7 -5.059 -6.263 9.161 1.00 8.58 O ATOM 118 CB THR A 7 -6.954 -6.177 6.350 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.310 -7.414 6.924 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.734 -6.457 4.812 1.00 9.17 C ATOM 0 H THR A 7 -4.620 -7.235 6.316 1.00 7.41 H new ATOM 0 HA THR A 7 -5.530 -4.519 6.580 1.00 7.48 H new ATOM 0 HB THR A 7 -7.748 -5.460 6.559 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.132 -7.745 6.505 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.636 -6.899 4.390 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.515 -5.520 4.299 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.898 -7.145 4.683 1.00 9.17 H new ATOM 128 N LEU A 8 -6.690 -4.659 8.925 1.00 9.84 N ATOM 129 CA LEU A 8 -6.969 -4.504 10.364 1.00 14.15 C ATOM 130 C LEU A 8 -7.401 -5.779 11.086 1.00 17.37 C ATOM 131 O LEU A 8 -6.910 -6.100 12.146 1.00 17.01 O ATOM 132 CB LEU A 8 -7.995 -3.411 10.650 1.00 16.63 C ATOM 133 CG LEU A 8 -7.622 -1.970 10.195 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.742 -0.964 10.500 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.310 -1.494 10.782 1.00 18.59 C ATOM 0 H LEU A 8 -7.261 -4.063 8.325 1.00 9.84 H new ATOM 0 HA LEU A 8 -5.996 -4.220 10.766 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.932 -3.689 10.168 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.182 -3.392 11.724 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.496 -2.024 9.114 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.440 0.029 10.166 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.651 -1.262 9.977 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.931 -0.944 11.573 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.100 -0.484 10.431 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.377 -1.494 11.870 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.507 -2.161 10.468 1.00 18.59 H new ATOM 147 N THR A 9 -8.263 -6.533 10.418 1.00 18.33 N ATOM 148 CA THR A 9 -8.778 -7.820 10.879 1.00 19.24 C ATOM 149 C THR A 9 -7.894 -8.956 10.481 1.00 19.48 C ATOM 150 O THR A 9 -8.249 -10.110 10.688 1.00 23.14 O ATOM 151 CB THR A 9 -10.175 -8.042 10.318 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.182 -8.112 8.920 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.133 -6.874 10.762 1.00 19.70 C ATOM 0 H THR A 9 -8.637 -6.259 9.510 1.00 18.33 H new ATOM 0 HA THR A 9 -8.808 -7.791 11.968 1.00 19.24 H new ATOM 0 HB THR A 9 -10.522 -8.996 10.714 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.098 -8.257 8.604 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.129 -7.045 10.354 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.187 -6.842 11.850 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.747 -5.925 10.390 1.00 19.70 H new ATOM 161 N GLY A 10 -6.728 -8.625 9.911 1.00 19.43 N ATOM 162 CA GLY A 10 -5.602 -9.501 9.917 1.00 18.74 C ATOM 163 C GLY A 10 -5.336 -10.221 8.633 1.00 17.62 C ATOM 164 O GLY A 10 -4.573 -11.207 8.671 1.00 19.74 O ATOM 0 H GLY A 10 -6.562 -7.736 9.438 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.716 -8.923 10.179 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.744 -10.241 10.705 1.00 18.74 H new ATOM 168 N LYS A 11 -5.915 -9.901 7.467 1.00 13.56 N ATOM 169 CA LYS A 11 -5.617 -10.671 6.237 1.00 11.91 C ATOM 170 C LYS A 11 -4.436 -10.105 5.456 1.00 10.18 C ATOM 171 O LYS A 11 -4.339 -8.881 5.334 1.00 9.10 O ATOM 172 CB LYS A 11 -6.799 -10.685 5.225 1.00 13.43 C ATOM 173 CG LYS A 11 -6.451 -11.361 3.923 1.00 16.69 C ATOM 174 CD LYS A 11 -7.564 -11.241 2.919 1.00 17.92 C ATOM 175 CE LYS A 11 -7.531 -12.228 1.767 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.736 -12.039 0.965 1.00 21.93 N ATOM 0 H LYS A 11 -6.577 -9.135 7.343 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.406 -11.672 6.614 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.651 -11.194 5.676 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.110 -9.660 5.024 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.543 -10.918 3.514 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.238 -12.414 4.105 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.513 -11.356 3.443 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.548 -10.232 2.507 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.641 -12.070 1.158 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.482 -13.250 2.144 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.748 -12.731 0.188 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.576 -12.175 1.563 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.744 -11.076 0.571 1.00 21.93 H new ATOM 190 N THR A 12 -3.494 -11.018 4.996 1.00 9.63 N ATOM 191 CA THR A 12 -2.165 -10.542 4.575 1.00 9.85 C ATOM 192 C THR A 12 -1.943 -10.937 3.120 1.00 11.66 C ATOM 193 O THR A 12 -2.174 -12.141 2.830 1.00 12.33 O ATOM 194 CB THR A 12 -1.074 -11.020 5.481 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.341 -10.681 6.822 1.00 10.91 O ATOM 196 CG2 THR A 12 0.235 -10.311 5.179 1.00 9.63 C ATOM 0 H THR A 12 -3.643 -12.024 4.920 1.00 9.63 H new ATOM 0 HA THR A 12 -2.132 -9.455 4.652 1.00 9.85 H new ATOM 0 HB THR A 12 -1.014 -12.097 5.326 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.614 -11.006 7.393 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.011 -10.677 5.852 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.526 -10.509 4.147 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.109 -9.238 5.321 1.00 9.63 H new ATOM 204 N ILE A 13 -1.563 -9.979 2.283 1.00 10.42 N ATOM 205 CA ILE A 13 -1.290 -10.191 0.884 1.00 11.84 C ATOM 206 C ILE A 13 0.100 -9.909 0.531 1.00 10.55 C ATOM 207 O ILE A 13 0.702 -9.051 1.179 1.00 11.92 O ATOM 208 CB ILE A 13 -2.404 -9.655 -0.082 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.469 -8.137 -0.145 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.737 -10.248 0.413 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.142 -7.583 -1.406 1.00 16.46 C ATOM 0 H ILE A 13 -1.436 -9.010 2.576 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.371 -11.263 0.705 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.178 -9.965 -1.102 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.008 -7.772 0.730 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.456 -7.739 -0.084 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.549 -9.904 -0.228 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.685 -11.336 0.381 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.922 -9.924 1.437 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.145 -6.494 -1.368 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.592 -7.914 -2.287 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.168 -7.947 -1.461 1.00 16.46 H new ATOM 223 N THR A 14 0.683 -10.644 -0.420 1.00 9.39 N ATOM 224 CA THR A 14 2.098 -10.478 -0.757 1.00 9.63 C ATOM 225 C THR A 14 2.195 -9.749 -2.014 1.00 11.20 C ATOM 226 O THR A 14 1.826 -10.195 -3.099 1.00 11.63 O ATOM 227 CB THR A 14 2.851 -11.843 -0.905 1.00 10.38 C ATOM 228 OG1 THR A 14 2.898 -12.527 0.342 1.00 16.30 O ATOM 229 CG2 THR A 14 4.324 -11.730 -1.455 1.00 11.66 C ATOM 0 H THR A 14 0.199 -11.356 -0.967 1.00 9.39 H new ATOM 0 HA THR A 14 2.569 -9.933 0.061 1.00 9.63 H new ATOM 0 HB THR A 14 2.271 -12.394 -1.646 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.354 -11.968 1.005 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.764 -12.725 -1.523 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.309 -11.271 -2.444 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.919 -11.116 -0.779 1.00 11.66 H new ATOM 237 N LEU A 15 2.792 -8.523 -2.008 1.00 8.29 N ATOM 238 CA LEU A 15 3.042 -7.796 -3.282 1.00 9.03 C ATOM 239 C LEU A 15 4.523 -7.952 -3.749 1.00 8.59 C ATOM 240 O LEU A 15 5.398 -8.390 -3.051 1.00 7.79 O ATOM 241 CB LEU A 15 2.624 -6.299 -3.189 1.00 11.08 C ATOM 242 CG LEU A 15 1.170 -6.097 -2.686 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.944 -4.647 -2.354 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.101 -6.788 -3.664 1.00 15.27 C ATOM 0 H LEU A 15 3.098 -8.034 -1.167 1.00 8.29 H new ATOM 0 HA LEU A 15 2.410 -8.256 -4.042 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.308 -5.779 -2.519 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.728 -5.838 -4.171 1.00 11.08 H new ATOM 0 HG LEU A 15 1.011 -6.628 -1.747 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.078 -4.510 -2.001 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.641 -4.339 -1.575 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.105 -4.040 -3.245 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.905 -6.624 -3.277 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.183 -6.351 -4.659 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.298 -7.859 -3.720 1.00 15.27 H new ATOM 256 N GLU A 16 4.793 -7.707 -5.020 1.00 11.04 N ATOM 257 CA GLU A 16 6.081 -7.897 -5.644 1.00 11.50 C ATOM 258 C GLU A 16 6.458 -6.515 -6.118 1.00 10.13 C ATOM 259 O GLU A 16 5.797 -5.941 -6.968 1.00 9.83 O ATOM 260 CB GLU A 16 6.105 -8.822 -6.876 1.00 17.22 C ATOM 261 CG GLU A 16 7.431 -8.900 -7.649 1.00 23.33 C ATOM 262 CD GLU A 16 8.633 -9.396 -6.879 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.642 -10.604 -6.489 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.515 -8.594 -6.572 1.00 28.86 O ATOM 0 H GLU A 16 4.088 -7.356 -5.668 1.00 11.04 H new ATOM 0 HA GLU A 16 6.745 -8.371 -4.922 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.839 -9.828 -6.552 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.327 -8.493 -7.565 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.286 -9.551 -8.511 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.660 -7.907 -8.035 1.00 23.33 H new ATOM 271 N VAL A 17 7.519 -5.943 -5.510 1.00 8.99 N ATOM 272 CA VAL A 17 7.775 -4.501 -5.694 1.00 8.85 C ATOM 273 C VAL A 17 9.242 -4.235 -5.775 1.00 8.04 C ATOM 274 O VAL A 17 10.026 -5.159 -5.521 1.00 8.99 O ATOM 275 CB VAL A 17 7.162 -3.610 -4.653 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.634 -3.528 -4.737 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.514 -4.038 -3.223 1.00 10.54 C ATOM 0 H VAL A 17 8.185 -6.433 -4.913 1.00 8.99 H new ATOM 0 HA VAL A 17 7.282 -4.249 -6.633 1.00 8.85 H new ATOM 0 HB VAL A 17 7.591 -2.632 -4.873 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.262 -2.867 -3.954 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.344 -3.136 -5.712 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.208 -4.523 -4.605 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.043 -3.358 -2.513 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.154 -5.052 -3.047 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.596 -4.009 -3.090 1.00 10.54 H new ATOM 287 N GLU A 18 9.709 -3.063 -6.172 1.00 7.29 N ATOM 288 CA GLU A 18 11.084 -2.675 -6.214 1.00 7.08 C ATOM 289 C GLU A 18 11.144 -1.394 -5.430 1.00 6.45 C ATOM 290 O GLU A 18 10.095 -0.762 -5.333 1.00 5.28 O ATOM 291 CB GLU A 18 11.636 -2.553 -7.659 1.00 10.28 C ATOM 292 CG GLU A 18 11.886 -1.149 -8.260 1.00 12.65 C ATOM 293 CD GLU A 18 12.552 -1.266 -9.629 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.727 -1.601 -9.665 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.947 -1.009 -10.683 1.00 18.17 O ATOM 0 H GLU A 18 9.088 -2.320 -6.491 1.00 7.29 H new ATOM 0 HA GLU A 18 11.735 -3.433 -5.777 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.580 -3.097 -7.696 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.942 -3.073 -8.319 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.941 -0.613 -8.353 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.518 -0.567 -7.590 1.00 12.65 H new ATOM 302 N PRO A 19 12.319 -0.959 -4.861 1.00 7.24 N ATOM 303 CA PRO A 19 12.312 0.251 -4.082 1.00 7.07 C ATOM 304 C PRO A 19 11.836 1.514 -4.785 1.00 6.65 C ATOM 305 O PRO A 19 11.288 2.421 -4.152 1.00 6.37 O ATOM 306 CB PRO A 19 13.797 0.472 -3.600 1.00 7.61 C ATOM 307 CG PRO A 19 14.202 -1.030 -3.423 1.00 8.16 C ATOM 308 CD PRO A 19 13.570 -1.690 -4.692 1.00 7.49 C ATOM 0 HA PRO A 19 11.586 0.103 -3.283 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.409 0.992 -4.337 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.862 1.041 -2.673 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.284 -1.160 -3.392 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.803 -1.454 -2.501 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.217 -1.588 -5.563 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.397 -2.756 -4.547 1.00 7.49 H new ATOM 316 N SER A 20 12.100 1.613 -6.076 1.00 6.80 N ATOM 317 CA SER A 20 11.817 2.750 -6.819 1.00 6.28 C ATOM 318 C SER A 20 10.384 2.852 -7.360 1.00 8.45 C ATOM 319 O SER A 20 9.947 3.929 -7.834 1.00 7.26 O ATOM 320 CB SER A 20 12.760 3.002 -8.076 1.00 8.57 C ATOM 321 OG SER A 20 14.137 3.140 -7.646 1.00 11.13 O ATOM 0 H SER A 20 12.529 0.864 -6.618 1.00 6.80 H new ATOM 0 HA SER A 20 11.990 3.503 -6.051 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.672 2.173 -8.779 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.444 3.902 -8.603 1.00 8.57 H new ATOM 0 HG SER A 20 14.710 3.293 -8.426 1.00 11.13 H new ATOM 327 N ASP A 21 9.548 1.798 -7.260 1.00 7.50 N ATOM 328 CA ASP A 21 8.162 1.882 -7.532 1.00 7.70 C ATOM 329 C ASP A 21 7.358 2.752 -6.574 1.00 7.08 C ATOM 330 O ASP A 21 7.682 2.797 -5.357 1.00 8.11 O ATOM 331 CB ASP A 21 7.600 0.435 -7.458 1.00 11.00 C ATOM 332 CG ASP A 21 8.093 -0.476 -8.575 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.194 -0.035 -9.747 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.354 -1.671 -8.296 1.00 14.36 O ATOM 0 H ASP A 21 9.855 0.866 -6.981 1.00 7.50 H new ATOM 0 HA ASP A 21 8.061 2.354 -8.509 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.874 -0.002 -6.498 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.511 0.476 -7.490 1.00 11.00 H new ATOM 339 N THR A 22 6.340 3.511 -7.170 1.00 5.37 N ATOM 340 CA THR A 22 5.474 4.381 -6.496 1.00 6.01 C ATOM 341 C THR A 22 4.331 3.719 -5.731 1.00 8.01 C ATOM 342 O THR A 22 3.896 2.573 -5.944 1.00 8.11 O ATOM 343 CB THR A 22 4.796 5.435 -7.459 1.00 8.92 C ATOM 344 OG1 THR A 22 4.041 4.749 -8.461 1.00 10.22 O ATOM 345 CG2 THR A 22 5.770 6.394 -8.177 1.00 9.65 C ATOM 0 H THR A 22 6.158 3.477 -8.173 1.00 5.37 H new ATOM 0 HA THR A 22 6.151 4.851 -5.783 1.00 6.01 H new ATOM 0 HB THR A 22 4.174 6.050 -6.808 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.619 5.402 -9.057 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.206 7.076 -8.813 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.329 6.966 -7.437 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.463 5.817 -8.789 1.00 9.65 H new ATOM 353 N ILE A 23 3.735 4.487 -4.791 1.00 8.32 N ATOM 354 CA ILE A 23 2.665 4.079 -3.937 1.00 9.92 C ATOM 355 C ILE A 23 1.391 3.800 -4.716 1.00 10.01 C ATOM 356 O ILE A 23 0.564 2.879 -4.413 1.00 8.71 O ATOM 357 CB ILE A 23 2.475 5.135 -2.728 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.732 5.313 -1.844 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.165 4.776 -1.957 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.282 4.009 -1.077 1.00 12.30 C ATOM 0 H ILE A 23 4.023 5.451 -4.622 1.00 8.32 H new ATOM 0 HA ILE A 23 2.927 3.125 -3.479 1.00 9.92 H new ATOM 0 HB ILE A 23 2.356 6.136 -3.142 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.535 5.699 -2.472 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.515 6.077 -1.098 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.021 5.479 -1.137 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.315 4.833 -2.637 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.243 3.765 -1.558 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.165 4.274 -0.495 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.509 3.626 -0.410 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.545 3.242 -1.806 1.00 12.30 H new ATOM 372 N GLU A 24 1.196 4.593 -5.811 1.00 9.54 N ATOM 373 CA GLU A 24 0.158 4.356 -6.838 1.00 11.81 C ATOM 374 C GLU A 24 0.261 2.936 -7.397 1.00 11.14 C ATOM 375 O GLU A 24 -0.765 2.276 -7.484 1.00 10.62 O ATOM 376 CB GLU A 24 0.331 5.412 -8.011 1.00 19.24 C ATOM 377 CG GLU A 24 -0.846 5.396 -9.004 1.00 27.76 C ATOM 378 CD GLU A 24 -0.678 6.408 -10.150 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.472 6.488 -10.735 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.665 7.008 -10.612 1.00 34.80 O ATOM 0 H GLU A 24 1.764 5.419 -5.999 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.824 4.471 -6.379 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.427 6.410 -7.584 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.257 5.204 -8.548 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.948 4.395 -9.423 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.770 5.613 -8.468 1.00 27.76 H new ATOM 387 N ASN A 25 1.500 2.477 -7.715 1.00 9.43 N ATOM 388 CA ASN A 25 1.761 1.144 -8.211 1.00 10.96 C ATOM 389 C ASN A 25 1.504 0.071 -7.178 1.00 9.68 C ATOM 390 O ASN A 25 0.997 -1.018 -7.553 1.00 9.33 O ATOM 391 CB ASN A 25 3.264 1.095 -8.683 1.00 16.78 C ATOM 392 CG ASN A 25 3.421 0.086 -9.840 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.217 -0.894 -9.764 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.687 0.301 -10.974 1.00 24.70 N ATOM 0 H ASN A 25 2.341 3.047 -7.625 1.00 9.43 H new ATOM 0 HA ASN A 25 1.077 0.939 -9.035 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.585 2.085 -9.007 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.906 0.809 -7.850 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.779 -0.332 -11.769 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.048 1.094 -11.025 1.00 24.70 H new ATOM 401 N VAL A 26 1.719 0.276 -5.826 1.00 6.52 N ATOM 402 CA VAL A 26 1.469 -0.700 -4.797 1.00 5.53 C ATOM 403 C VAL A 26 -0.036 -0.967 -4.660 1.00 4.42 C ATOM 404 O VAL A 26 -0.438 -2.116 -4.548 1.00 3.40 O ATOM 405 CB VAL A 26 1.968 -0.232 -3.370 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.591 -1.239 -2.264 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.448 0.043 -3.491 1.00 8.12 C ATOM 0 H VAL A 26 2.079 1.157 -5.459 1.00 6.52 H new ATOM 0 HA VAL A 26 2.017 -1.591 -5.105 1.00 5.53 H new ATOM 0 HB VAL A 26 1.466 0.683 -3.054 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.954 -0.876 -1.302 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.507 -1.348 -2.225 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.045 -2.206 -2.482 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.837 0.370 -2.527 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.963 -0.866 -3.801 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.613 0.824 -4.233 1.00 8.12 H new ATOM 417 N LYS A 27 -0.877 0.101 -4.803 1.00 2.64 N ATOM 418 CA LYS A 27 -2.374 0.025 -4.929 1.00 4.14 C ATOM 419 C LYS A 27 -2.864 -0.637 -6.156 1.00 5.58 C ATOM 420 O LYS A 27 -3.909 -1.244 -6.148 1.00 4.11 O ATOM 421 CB LYS A 27 -2.984 1.451 -4.767 1.00 3.97 C ATOM 422 CG LYS A 27 -2.699 2.136 -3.473 1.00 7.45 C ATOM 423 CD LYS A 27 -3.349 3.554 -3.359 1.00 9.02 C ATOM 424 CE LYS A 27 -3.073 4.157 -1.944 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.423 5.569 -1.806 1.00 15.47 N ATOM 0 H LYS A 27 -0.530 1.060 -4.835 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.716 -0.624 -4.123 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.614 2.078 -5.578 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.065 1.379 -4.888 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.060 1.513 -2.655 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.620 2.229 -3.351 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.944 4.211 -4.129 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.423 3.485 -3.531 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.631 3.584 -1.204 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.015 4.034 -1.711 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.027 5.940 -0.919 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.034 6.103 -2.609 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.458 5.670 -1.792 1.00 15.47 H new ATOM 439 N ALA A 28 -2.143 -0.561 -7.286 1.00 6.61 N ATOM 440 CA ALA A 28 -2.533 -1.244 -8.467 1.00 7.74 C ATOM 441 C ALA A 28 -2.429 -2.772 -8.324 1.00 9.17 C ATOM 442 O ALA A 28 -3.296 -3.502 -8.770 1.00 11.45 O ATOM 443 CB ALA A 28 -1.605 -0.839 -9.597 1.00 7.68 C ATOM 0 H ALA A 28 -1.283 -0.020 -7.377 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.571 -0.977 -8.663 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.896 -1.358 -10.510 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.672 0.237 -9.755 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.580 -1.105 -9.339 1.00 7.68 H new ATOM 449 N LYS A 29 -1.336 -3.238 -7.693 1.00 8.96 N ATOM 450 CA LYS A 29 -1.049 -4.636 -7.446 1.00 7.90 C ATOM 451 C LYS A 29 -2.072 -5.263 -6.395 1.00 6.92 C ATOM 452 O LYS A 29 -2.522 -6.403 -6.563 1.00 6.87 O ATOM 453 CB LYS A 29 0.361 -4.791 -6.897 1.00 10.28 C ATOM 454 CG LYS A 29 1.439 -4.261 -7.788 1.00 14.94 C ATOM 455 CD LYS A 29 2.943 -4.325 -7.244 1.00 19.69 C ATOM 456 CE LYS A 29 3.973 -3.875 -8.341 1.00 22.63 C ATOM 457 NZ LYS A 29 3.833 -4.641 -9.617 1.00 24.98 N ATOM 0 H LYS A 29 -0.611 -2.617 -7.334 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.147 -5.162 -8.396 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.420 -4.282 -5.935 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.550 -5.848 -6.710 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.398 -4.809 -8.729 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.207 -3.220 -8.015 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.041 -3.685 -6.367 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.172 -5.341 -6.924 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.839 -2.812 -8.544 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.985 -4.001 -7.956 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.670 -4.479 -10.213 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.750 -5.656 -9.405 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.982 -4.322 -10.122 1.00 24.98 H new ATOM 471 N ILE A 30 -2.497 -4.494 -5.407 1.00 4.57 N ATOM 472 CA ILE A 30 -3.602 -4.801 -4.479 1.00 5.58 C ATOM 473 C ILE A 30 -4.936 -4.908 -5.257 1.00 7.26 C ATOM 474 O ILE A 30 -5.659 -5.865 -5.132 1.00 9.46 O ATOM 475 CB ILE A 30 -3.690 -3.795 -3.328 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.423 -3.610 -2.480 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.879 -4.089 -2.453 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.548 -2.431 -1.495 1.00 2.00 C ATOM 0 H ILE A 30 -2.067 -3.590 -5.210 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.395 -5.767 -4.018 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.811 -2.835 -3.829 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.223 -4.526 -1.924 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.569 -3.443 -3.137 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.922 -3.362 -1.642 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.792 -4.026 -3.046 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.785 -5.092 -2.037 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.628 -2.340 -0.918 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.720 -1.509 -2.051 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.384 -2.609 -0.819 1.00 2.00 H new ATOM 490 N GLN A 31 -5.194 -3.961 -6.190 1.00 7.06 N ATOM 491 CA GLN A 31 -6.373 -3.918 -7.009 1.00 8.67 C ATOM 492 C GLN A 31 -6.435 -5.239 -7.800 1.00 10.90 C ATOM 493 O GLN A 31 -7.474 -5.865 -7.851 1.00 9.63 O ATOM 494 CB GLN A 31 -6.481 -2.668 -7.986 1.00 9.12 C ATOM 495 CG GLN A 31 -7.872 -2.654 -8.661 1.00 10.76 C ATOM 496 CD GLN A 31 -8.042 -1.534 -9.669 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.087 -0.854 -9.603 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.175 -1.513 -10.689 1.00 14.76 N ATOM 0 H GLN A 31 -4.551 -3.193 -6.380 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.226 -3.797 -6.342 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.327 -1.744 -7.429 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.699 -2.717 -8.744 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.035 -3.609 -9.160 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.639 -2.561 -7.893 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.343 -2.102 -10.663 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.347 -0.908 -11.492 1.00 14.76 H new ATOM 507 N ASP A 32 -5.334 -5.675 -8.409 1.00 10.93 N ATOM 508 CA ASP A 32 -5.205 -6.837 -9.233 1.00 14.01 C ATOM 509 C ASP A 32 -5.600 -8.108 -8.535 1.00 14.04 C ATOM 510 O ASP A 32 -6.191 -8.987 -9.134 1.00 13.39 O ATOM 511 CB ASP A 32 -3.708 -6.757 -9.729 1.00 18.01 C ATOM 512 CG ASP A 32 -3.589 -7.702 -10.843 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.438 -7.691 -11.796 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.604 -8.532 -10.842 1.00 25.17 O ATOM 0 H ASP A 32 -4.450 -5.174 -8.321 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.896 -6.857 -10.076 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.459 -5.745 -10.050 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.018 -7.015 -8.925 1.00 18.01 H new ATOM 519 N LYS A 33 -5.235 -8.220 -7.224 1.00 14.22 N ATOM 520 CA LYS A 33 -5.568 -9.340 -6.438 1.00 14.00 C ATOM 521 C LYS A 33 -7.003 -9.181 -5.883 1.00 12.37 C ATOM 522 O LYS A 33 -7.885 -10.030 -6.103 1.00 12.17 O ATOM 523 CB LYS A 33 -4.535 -9.478 -5.326 1.00 18.62 C ATOM 524 CG LYS A 33 -3.152 -10.097 -5.802 1.00 24.00 C ATOM 525 CD LYS A 33 -2.170 -10.127 -4.630 1.00 27.61 C ATOM 526 CE LYS A 33 -0.805 -10.791 -4.873 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.770 -11.867 -5.937 1.00 30.06 N ATOM 0 H LYS A 33 -4.701 -7.508 -6.726 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.553 -10.251 -7.036 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.351 -8.496 -4.891 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.949 -10.104 -4.536 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.307 -11.106 -6.185 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.740 -9.505 -6.619 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.994 -9.100 -4.311 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.652 -10.641 -3.798 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.089 -10.015 -5.145 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.462 -11.225 -3.934 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.196 -12.245 -6.017 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.422 -12.635 -5.676 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.060 -11.462 -6.850 1.00 30.06 H new ATOM 541 N GLU A 34 -7.381 -8.104 -5.163 1.00 10.11 N ATOM 542 CA GLU A 34 -8.542 -8.187 -4.247 1.00 10.07 C ATOM 543 C GLU A 34 -9.689 -7.342 -4.722 1.00 9.32 C ATOM 544 O GLU A 34 -10.706 -7.200 -4.051 1.00 11.61 O ATOM 545 CB GLU A 34 -8.135 -7.800 -2.795 1.00 14.77 C ATOM 546 CG GLU A 34 -7.151 -8.806 -2.015 1.00 18.75 C ATOM 547 CD GLU A 34 -7.894 -10.010 -1.475 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.781 -9.850 -0.612 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.518 -11.177 -1.808 1.00 25.19 O ATOM 0 H GLU A 34 -6.919 -7.195 -5.193 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.878 -9.224 -4.245 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.660 -6.820 -2.827 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.046 -7.693 -2.206 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.361 -9.138 -2.689 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.668 -8.278 -1.193 1.00 18.75 H new ATOM 556 N GLY A 35 -9.508 -6.678 -5.902 1.00 7.22 N ATOM 557 CA GLY A 35 -10.542 -5.939 -6.543 1.00 6.29 C ATOM 558 C GLY A 35 -10.988 -4.682 -5.850 1.00 6.93 C ATOM 559 O GLY A 35 -12.166 -4.360 -5.987 1.00 7.41 O ATOM 0 H GLY A 35 -8.621 -6.665 -6.406 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.204 -5.676 -7.545 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.407 -6.591 -6.659 1.00 6.29 H new ATOM 563 N ILE A 36 -10.079 -4.060 -5.034 1.00 5.86 N ATOM 564 CA ILE A 36 -10.364 -2.869 -4.224 1.00 6.07 C ATOM 565 C ILE A 36 -9.928 -1.720 -5.095 1.00 6.36 C ATOM 566 O ILE A 36 -8.720 -1.735 -5.461 1.00 6.18 O ATOM 567 CB ILE A 36 -9.512 -2.894 -2.994 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.675 -4.178 -2.142 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.744 -1.674 -2.057 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.572 -4.369 -1.089 1.00 9.49 C ATOM 0 H ILE A 36 -9.120 -4.391 -4.932 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.408 -2.804 -3.919 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.501 -2.860 -3.399 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.642 -4.149 -1.640 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.685 -5.043 -2.805 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.095 -1.756 -1.185 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.515 -0.754 -2.595 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.785 -1.656 -1.734 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.755 -5.289 -0.533 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.603 -4.431 -1.584 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.575 -3.523 -0.402 1.00 9.49 H new ATOM 582 N PRO A 37 -10.711 -0.708 -5.431 1.00 8.65 N ATOM 583 CA PRO A 37 -10.243 0.363 -6.230 1.00 9.18 C ATOM 584 C PRO A 37 -9.145 1.188 -5.527 1.00 9.85 C ATOM 585 O PRO A 37 -9.353 1.463 -4.326 1.00 8.51 O ATOM 586 CB PRO A 37 -11.539 1.203 -6.382 1.00 11.42 C ATOM 587 CG PRO A 37 -12.659 0.113 -6.521 1.00 9.27 C ATOM 588 CD PRO A 37 -12.206 -0.911 -5.450 1.00 8.33 C ATOM 0 HA PRO A 37 -9.783 0.039 -7.164 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.707 1.845 -5.517 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.498 1.852 -7.257 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.652 0.513 -6.316 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.691 -0.321 -7.520 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.657 -0.711 -4.478 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.475 -1.932 -5.722 1.00 8.33 H new ATOM 596 N PRO A 38 -8.045 1.610 -6.093 1.00 8.71 N ATOM 597 CA PRO A 38 -7.027 2.407 -5.430 1.00 9.08 C ATOM 598 C PRO A 38 -7.560 3.707 -4.768 1.00 9.28 C ATOM 599 O PRO A 38 -7.093 4.083 -3.694 1.00 6.50 O ATOM 600 CB PRO A 38 -6.010 2.736 -6.546 1.00 10.31 C ATOM 601 CG PRO A 38 -6.047 1.481 -7.440 1.00 10.81 C ATOM 602 CD PRO A 38 -7.539 1.136 -7.445 1.00 12.00 C ATOM 0 HA PRO A 38 -6.599 1.851 -4.596 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.294 3.632 -7.098 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.013 2.913 -6.142 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.672 1.684 -8.443 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.443 0.671 -7.031 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.059 1.637 -8.261 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.698 0.066 -7.575 1.00 12.00 H new ATOM 610 N ASP A 39 -8.564 4.409 -5.339 1.00 11.20 N ATOM 611 CA ASP A 39 -9.168 5.515 -4.670 1.00 14.96 C ATOM 612 C ASP A 39 -9.935 5.182 -3.371 1.00 13.99 C ATOM 613 O ASP A 39 -10.332 6.082 -2.599 1.00 13.75 O ATOM 614 CB ASP A 39 -10.026 6.345 -5.612 1.00 24.16 C ATOM 615 CG ASP A 39 -9.240 6.969 -6.770 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.265 7.740 -6.556 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.631 6.608 -7.907 1.00 34.22 O ATOM 0 H ASP A 39 -8.952 4.207 -6.260 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.316 6.110 -4.339 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.817 5.715 -6.019 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.511 7.139 -5.044 1.00 24.16 H new ATOM 622 N GLN A 40 -10.264 3.886 -3.103 1.00 11.60 N ATOM 623 CA GLN A 40 -10.811 3.348 -1.926 1.00 10.76 C ATOM 624 C GLN A 40 -9.747 2.713 -1.031 1.00 8.01 C ATOM 625 O GLN A 40 -10.090 2.007 -0.101 1.00 8.96 O ATOM 626 CB GLN A 40 -11.814 2.230 -2.238 1.00 11.14 C ATOM 627 CG GLN A 40 -13.124 2.845 -2.768 1.00 14.85 C ATOM 628 CD GLN A 40 -14.039 1.880 -3.486 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.421 2.079 -4.621 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.376 0.803 -2.786 1.00 18.16 N ATOM 0 H GLN A 40 -10.120 3.161 -3.806 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.288 4.189 -1.423 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.395 1.548 -2.978 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.012 1.644 -1.340 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.667 3.282 -1.930 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.876 3.661 -3.447 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.028 0.683 -1.835 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.983 0.095 -3.200 1.00 18.16 H new ATOM 639 N GLN A 41 -8.418 2.962 -1.291 1.00 6.52 N ATOM 640 CA GLN A 41 -7.330 2.499 -0.460 1.00 3.87 C ATOM 641 C GLN A 41 -6.591 3.575 0.320 1.00 4.79 C ATOM 642 O GLN A 41 -6.305 4.692 -0.164 1.00 6.34 O ATOM 643 CB GLN A 41 -6.349 1.648 -1.251 1.00 4.20 C ATOM 644 CG GLN A 41 -7.027 0.478 -1.940 1.00 3.20 C ATOM 645 CD GLN A 41 -5.936 -0.300 -2.754 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.737 -0.406 -2.464 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.400 -0.790 -3.954 1.00 7.13 N ATOM 0 H GLN A 41 -8.106 3.499 -2.100 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.822 1.889 0.298 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.853 2.268 -1.997 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.574 1.274 -0.582 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.495 -0.178 -1.206 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.818 0.831 -2.602 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.388 -0.703 -4.193 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.756 -1.240 -4.604 1.00 7.13 H new ATOM 656 N ARG A 42 -6.252 3.325 1.585 1.00 5.73 N ATOM 657 CA ARG A 42 -5.323 4.103 2.417 1.00 6.97 C ATOM 658 C ARG A 42 -4.225 3.189 2.828 1.00 7.15 C ATOM 659 O ARG A 42 -4.532 2.159 3.474 1.00 7.33 O ATOM 660 CB ARG A 42 -5.882 4.652 3.765 1.00 13.23 C ATOM 661 CG ARG A 42 -6.660 5.944 3.587 1.00 21.27 C ATOM 662 CD ARG A 42 -6.739 6.811 4.837 1.00 26.14 C ATOM 663 NE ARG A 42 -7.390 8.087 4.455 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.669 8.433 4.714 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.616 7.585 5.095 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.017 9.700 4.447 1.00 36.39 N ATOM 0 H ARG A 42 -6.639 2.528 2.090 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.051 4.957 1.797 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.529 3.901 4.219 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.056 4.821 4.456 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.199 6.523 2.787 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.672 5.702 3.263 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.310 6.308 5.617 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.743 6.995 5.240 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.819 8.765 3.950 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.398 6.595 5.210 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.562 7.923 5.273 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.328 10.349 4.067 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.971 10.015 4.624 1.00 36.39 H new ATOM 680 N LEU A 43 -2.972 3.525 2.651 1.00 4.65 N ATOM 681 CA LEU A 43 -1.878 2.735 3.069 1.00 3.51 C ATOM 682 C LEU A 43 -1.162 3.553 4.161 1.00 5.56 C ATOM 683 O LEU A 43 -0.941 4.732 4.038 1.00 4.19 O ATOM 684 CB LEU A 43 -1.019 2.585 1.863 1.00 3.74 C ATOM 685 CG LEU A 43 -1.519 1.540 0.859 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.585 1.262 -0.273 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.919 0.269 1.585 1.00 6.41 C ATOM 0 H LEU A 43 -2.692 4.392 2.193 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.143 1.754 3.463 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.947 3.549 1.360 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.012 2.315 2.180 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.396 1.976 0.380 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.023 0.511 -0.930 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.411 2.180 -0.835 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.362 0.892 0.119 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.273 -0.467 0.863 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.057 -0.132 2.119 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.715 0.491 2.296 1.00 6.41 H new ATOM 699 N ILE A 44 -0.623 2.840 5.195 1.00 4.58 N ATOM 700 CA ILE A 44 -0.026 3.354 6.438 1.00 5.55 C ATOM 701 C ILE A 44 1.206 2.509 6.705 1.00 5.46 C ATOM 702 O ILE A 44 1.113 1.243 6.767 1.00 6.04 O ATOM 703 CB ILE A 44 -0.913 3.460 7.800 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.188 4.370 7.714 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.024 3.986 8.813 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.418 3.742 6.956 1.00 13.90 C ATOM 0 H ILE A 44 -0.599 1.821 5.166 1.00 4.58 H new ATOM 0 HA ILE A 44 0.148 4.409 6.228 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.326 2.478 8.031 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.499 4.626 8.727 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.915 5.302 7.219 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.492 4.090 9.767 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.861 3.297 8.926 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.396 4.960 8.494 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.245 4.452 6.954 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.134 3.513 5.929 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.727 2.826 7.460 1.00 13.90 H new ATOM 718 N PHE A 45 2.376 3.169 6.765 1.00 6.75 N ATOM 719 CA PHE A 45 3.572 2.482 7.216 1.00 4.70 C ATOM 720 C PHE A 45 4.187 3.477 8.222 1.00 6.34 C ATOM 721 O PHE A 45 4.405 4.686 7.890 1.00 5.45 O ATOM 722 CB PHE A 45 4.481 2.174 6.070 1.00 5.51 C ATOM 723 CG PHE A 45 5.766 1.554 6.460 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.856 0.188 6.587 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.947 2.333 6.627 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.134 -0.401 6.786 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.201 1.755 6.851 1.00 6.64 C ATOM 728 CZ PHE A 45 8.293 0.409 6.906 1.00 6.84 C ATOM 0 H PHE A 45 2.506 4.149 6.512 1.00 6.75 H new ATOM 0 HA PHE A 45 3.378 1.510 7.669 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.964 1.507 5.381 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.686 3.096 5.527 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.970 -0.427 6.536 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.871 3.409 6.579 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.224 -1.476 6.846 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.078 2.373 6.977 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.258 -0.056 7.043 1.00 6.84 H new ATOM 738 N ALA A 46 4.662 2.944 9.408 1.00 6.53 N ATOM 739 CA ALA A 46 5.313 3.618 10.555 1.00 7.15 C ATOM 740 C ALA A 46 4.589 4.795 11.120 1.00 9.00 C ATOM 741 O ALA A 46 5.144 5.843 11.454 1.00 11.15 O ATOM 742 CB ALA A 46 6.760 4.053 10.265 1.00 8.99 C ATOM 0 H ALA A 46 4.582 1.942 9.580 1.00 6.53 H new ATOM 0 HA ALA A 46 5.292 2.827 11.305 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.177 4.540 11.147 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.360 3.178 10.016 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.769 4.750 9.427 1.00 8.99 H new ATOM 748 N GLY A 47 3.307 4.689 11.304 1.00 9.35 N ATOM 749 CA GLY A 47 2.394 5.689 11.832 1.00 11.68 C ATOM 750 C GLY A 47 2.077 6.820 10.946 1.00 11.14 C ATOM 751 O GLY A 47 1.399 7.768 11.380 1.00 13.93 O ATOM 0 H GLY A 47 2.818 3.825 11.070 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.461 5.192 12.099 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.819 6.086 12.754 1.00 11.68 H new ATOM 755 N LYS A 48 2.564 6.776 9.692 1.00 10.47 N ATOM 756 CA LYS A 48 2.313 7.778 8.680 1.00 8.82 C ATOM 757 C LYS A 48 1.578 7.246 7.477 1.00 7.68 C ATOM 758 O LYS A 48 1.976 6.231 6.918 1.00 6.47 O ATOM 759 CB LYS A 48 3.740 8.217 8.287 1.00 9.74 C ATOM 760 CG LYS A 48 4.547 8.796 9.456 1.00 14.14 C ATOM 761 CD LYS A 48 5.687 9.746 8.973 1.00 16.32 C ATOM 762 CE LYS A 48 6.909 8.992 8.464 1.00 20.04 C ATOM 763 NZ LYS A 48 7.821 10.050 8.186 1.00 23.92 N ATOM 0 H LYS A 48 3.157 6.015 9.362 1.00 10.47 H new ATOM 0 HA LYS A 48 1.672 8.578 9.051 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.275 7.361 7.876 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.677 8.963 7.495 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.878 9.343 10.121 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.978 7.980 10.037 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.306 10.389 8.179 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.984 10.397 9.795 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.302 8.302 9.211 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.683 8.404 7.574 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.712 9.654 7.824 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.409 10.685 7.472 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.008 10.585 9.058 1.00 23.92 H new ATOM 777 N GLN A 49 0.451 7.943 7.025 1.00 8.89 N ATOM 778 CA GLN A 49 -0.245 7.666 5.816 1.00 7.18 C ATOM 779 C GLN A 49 0.634 7.952 4.528 1.00 8.23 C ATOM 780 O GLN A 49 1.479 8.800 4.547 1.00 9.70 O ATOM 781 CB GLN A 49 -1.653 8.321 5.912 1.00 11.67 C ATOM 782 CG GLN A 49 -1.723 9.841 5.568 1.00 15.82 C ATOM 783 CD GLN A 49 -3.028 10.562 5.964 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.649 10.244 6.960 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.540 11.416 5.103 1.00 20.67 N ATOM 0 H GLN A 49 0.043 8.718 7.549 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.431 6.600 5.683 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.328 7.786 5.244 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.030 8.180 6.925 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -0.890 10.344 6.059 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.578 9.958 4.494 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.013 11.678 4.270 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.464 11.816 5.269 1.00 20.67 H new ATOM 794 N LEU A 50 0.454 7.134 3.494 1.00 6.51 N ATOM 795 CA LEU A 50 1.379 7.148 2.324 1.00 7.41 C ATOM 796 C LEU A 50 0.783 7.724 1.034 1.00 8.27 C ATOM 797 O LEU A 50 -0.292 7.329 0.554 1.00 8.34 O ATOM 798 CB LEU A 50 1.803 5.751 1.954 1.00 7.13 C ATOM 799 CG LEU A 50 2.446 4.891 3.121 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.043 3.607 2.513 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.579 5.606 3.849 1.00 9.11 C ATOM 0 H LEU A 50 -0.306 6.457 3.426 1.00 6.51 H new ATOM 0 HA LEU A 50 2.199 7.781 2.665 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.933 5.217 1.572 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.522 5.814 1.137 1.00 7.13 H new ATOM 0 HG LEU A 50 1.649 4.695 3.839 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.490 3.004 3.303 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.255 3.036 2.022 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.808 3.872 1.783 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.972 4.960 4.634 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.374 5.842 3.142 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.202 6.528 4.292 1.00 9.11 H new ATOM 813 N GLU A 51 1.537 8.726 0.440 1.00 9.43 N ATOM 814 CA GLU A 51 1.028 9.497 -0.637 1.00 11.90 C ATOM 815 C GLU A 51 1.504 8.868 -1.973 1.00 11.49 C ATOM 816 O GLU A 51 2.618 8.421 -2.185 1.00 9.88 O ATOM 817 CB GLU A 51 1.601 10.906 -0.519 1.00 16.56 C ATOM 818 CG GLU A 51 0.992 11.930 0.565 1.00 26.06 C ATOM 819 CD GLU A 51 1.910 13.131 0.801 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.129 13.790 -0.216 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.382 13.413 1.930 1.00 33.44 O ATOM 0 H GLU A 51 2.484 8.973 0.726 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.061 9.523 -0.611 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.666 10.807 -0.310 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.510 11.377 -1.498 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.018 12.280 0.225 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.831 11.406 1.507 1.00 26.06 H new ATOM 828 N ASP A 52 0.588 8.917 -2.969 1.00 12.71 N ATOM 829 CA ASP A 52 0.702 8.166 -4.164 1.00 16.56 C ATOM 830 C ASP A 52 1.900 8.312 -5.076 1.00 15.83 C ATOM 831 O ASP A 52 2.484 7.299 -5.505 1.00 17.21 O ATOM 832 CB ASP A 52 -0.616 8.290 -5.019 1.00 21.05 C ATOM 833 CG ASP A 52 -1.846 8.173 -4.141 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.230 9.175 -3.540 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.371 7.020 -4.019 1.00 25.82 O ATOM 0 H ASP A 52 -0.249 9.498 -2.929 1.00 12.71 H new ATOM 0 HA ASP A 52 0.877 7.177 -3.741 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.627 9.247 -5.540 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.634 7.511 -5.782 1.00 21.05 H new ATOM 840 N GLY A 53 2.352 9.514 -5.361 1.00 15.00 N ATOM 841 CA GLY A 53 3.425 9.800 -6.329 1.00 11.77 C ATOM 842 C GLY A 53 4.799 9.596 -5.717 1.00 11.10 C ATOM 843 O GLY A 53 5.849 9.791 -6.327 1.00 11.25 O ATOM 0 H GLY A 53 1.981 10.355 -4.919 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.314 9.152 -7.198 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.332 10.827 -6.683 1.00 11.77 H new ATOM 847 N ARG A 54 4.810 9.319 -4.406 1.00 8.53 N ATOM 848 CA ARG A 54 6.050 9.088 -3.691 1.00 9.05 C ATOM 849 C ARG A 54 6.390 7.630 -3.946 1.00 8.96 C ATOM 850 O ARG A 54 5.632 6.825 -4.494 1.00 11.60 O ATOM 851 CB ARG A 54 5.827 9.202 -2.170 1.00 7.97 C ATOM 852 CG ARG A 54 5.137 10.464 -1.722 1.00 9.62 C ATOM 853 CD ARG A 54 6.028 11.709 -1.935 1.00 12.20 C ATOM 854 NE ARG A 54 5.143 12.837 -1.441 1.00 18.23 N ATOM 855 CZ ARG A 54 5.517 13.904 -0.685 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.790 14.094 -0.378 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.680 14.805 -0.166 1.00 23.38 N ATOM 0 H ARG A 54 3.971 9.252 -3.830 1.00 8.53 H new ATOM 0 HA ARG A 54 6.811 9.800 -4.010 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.238 8.346 -1.839 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.793 9.137 -1.670 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.205 10.585 -2.274 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.874 10.381 -0.667 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.957 11.645 -1.368 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.302 11.837 -2.982 1.00 12.20 H new ATOM 0 HE ARG A 54 4.159 12.790 -1.705 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.498 13.438 -0.709 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.064 14.896 0.189 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.676 14.721 -0.327 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.044 15.578 0.391 1.00 23.38 H new ATOM 871 N THR A 55 7.632 7.161 -3.631 1.00 9.05 N ATOM 872 CA THR A 55 8.128 5.814 -3.870 1.00 9.03 C ATOM 873 C THR A 55 8.311 5.027 -2.591 1.00 8.15 C ATOM 874 O THR A 55 8.103 5.549 -1.496 1.00 5.91 O ATOM 875 CB THR A 55 9.414 5.854 -4.668 1.00 11.15 C ATOM 876 OG1 THR A 55 10.505 6.309 -3.878 1.00 11.95 O ATOM 877 CG2 THR A 55 9.365 6.801 -5.887 1.00 11.71 C ATOM 0 H THR A 55 8.330 7.756 -3.184 1.00 9.05 H new ATOM 0 HA THR A 55 7.368 5.293 -4.452 1.00 9.03 H new ATOM 0 HB THR A 55 9.543 4.824 -5.001 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.345 7.236 -3.603 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.323 6.775 -6.407 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.575 6.480 -6.565 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.163 7.818 -5.550 1.00 11.71 H new ATOM 885 N LEU A 56 8.751 3.722 -2.559 1.00 6.91 N ATOM 886 CA LEU A 56 8.985 2.925 -1.356 1.00 8.29 C ATOM 887 C LEU A 56 10.230 3.361 -0.608 1.00 8.05 C ATOM 888 O LEU A 56 10.291 3.359 0.649 1.00 10.17 O ATOM 889 CB LEU A 56 9.137 1.383 -1.727 1.00 6.60 C ATOM 890 CG LEU A 56 7.902 0.745 -2.318 1.00 7.73 C ATOM 891 CD1 LEU A 56 8.107 -0.680 -2.700 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.758 0.890 -1.322 1.00 8.64 C ATOM 0 H LEU A 56 8.952 3.203 -3.414 1.00 6.91 H new ATOM 0 HA LEU A 56 8.119 3.080 -0.712 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.958 1.274 -2.435 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.417 0.834 -0.828 1.00 6.60 H new ATOM 0 HG LEU A 56 7.661 1.262 -3.247 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.184 -1.081 -3.118 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.901 -0.747 -3.444 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.386 -1.256 -1.818 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.857 0.434 -1.733 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.023 0.393 -0.389 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.574 1.947 -1.130 1.00 8.64 H new ATOM 904 N SER A 57 11.252 3.678 -1.323 1.00 8.92 N ATOM 905 CA SER A 57 12.579 4.130 -0.797 1.00 9.00 C ATOM 906 C SER A 57 12.459 5.386 0.053 1.00 9.44 C ATOM 907 O SER A 57 13.216 5.552 0.979 1.00 10.91 O ATOM 908 CB SER A 57 13.661 4.279 -1.878 1.00 10.32 C ATOM 909 OG SER A 57 14.936 4.658 -1.367 1.00 13.59 O ATOM 0 H SER A 57 11.228 3.642 -2.342 1.00 8.92 H new ATOM 0 HA SER A 57 12.919 3.321 -0.151 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.760 3.334 -2.412 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.335 5.023 -2.605 1.00 10.32 H new ATOM 0 HG SER A 57 15.575 4.733 -2.106 1.00 13.59 H new ATOM 915 N ASP A 58 11.553 6.324 -0.356 1.00 9.11 N ATOM 916 CA ASP A 58 11.306 7.537 0.329 1.00 7.91 C ATOM 917 C ASP A 58 10.815 7.413 1.746 1.00 9.12 C ATOM 918 O ASP A 58 11.137 8.183 2.603 1.00 8.61 O ATOM 919 CB ASP A 58 10.221 8.481 -0.293 1.00 8.41 C ATOM 920 CG ASP A 58 10.686 8.735 -1.696 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.850 9.214 -1.897 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.865 8.536 -2.634 1.00 11.70 O ATOM 0 H ASP A 58 10.984 6.212 -1.195 1.00 9.11 H new ATOM 0 HA ASP A 58 12.316 7.941 0.257 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.237 8.012 -0.282 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.137 9.411 0.270 1.00 8.41 H new ATOM 927 N TYR A 59 9.927 6.430 2.014 1.00 7.97 N ATOM 928 CA TYR A 59 9.276 6.154 3.231 1.00 8.45 C ATOM 929 C TYR A 59 9.977 4.947 3.946 1.00 10.98 C ATOM 930 O TYR A 59 9.440 4.432 4.934 1.00 12.95 O ATOM 931 CB TYR A 59 7.813 5.664 2.920 1.00 7.94 C ATOM 932 CG TYR A 59 6.999 6.808 2.600 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.651 7.705 3.589 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.455 6.907 1.310 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.669 8.676 3.259 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.338 7.758 1.103 1.00 6.52 C ATOM 937 CZ TYR A 59 5.044 8.723 2.006 1.00 6.76 C ATOM 938 OH TYR A 59 4.134 9.736 1.657 1.00 7.63 O ATOM 0 H TYR A 59 9.649 5.770 1.288 1.00 7.97 H new ATOM 0 HA TYR A 59 9.296 7.053 3.847 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.820 4.961 2.087 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.401 5.136 3.780 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.104 7.670 4.569 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.878 6.346 0.490 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.393 9.408 4.004 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.722 7.636 0.224 1.00 6.52 H new ATOM 0 HH TYR A 59 4.613 10.585 1.554 1.00 7.63 H new ATOM 948 N ASN A 60 11.194 4.519 3.498 1.00 12.38 N ATOM 949 CA ASN A 60 11.922 3.432 4.156 1.00 13.94 C ATOM 950 C ASN A 60 11.220 2.114 4.273 1.00 14.16 C ATOM 951 O ASN A 60 11.174 1.426 5.308 1.00 14.26 O ATOM 952 CB ASN A 60 12.648 3.804 5.481 1.00 19.23 C ATOM 953 CG ASN A 60 13.934 4.596 5.179 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.998 5.748 5.541 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.906 3.989 4.469 1.00 24.09 N ATOM 0 H ASN A 60 11.674 4.917 2.690 1.00 12.38 H new ATOM 0 HA ASN A 60 12.699 3.274 3.408 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.987 4.397 6.112 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.892 2.899 6.037 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.747 4.505 4.212 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.800 3.014 4.189 1.00 24.09 H new ATOM 962 N ILE A 61 10.588 1.653 3.183 1.00 11.08 N ATOM 963 CA ILE A 61 9.849 0.358 3.182 1.00 11.78 C ATOM 964 C ILE A 61 10.742 -0.674 2.446 1.00 13.74 C ATOM 965 O ILE A 61 10.638 -0.673 1.202 1.00 14.60 O ATOM 966 CB ILE A 61 8.446 0.444 2.493 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.545 1.511 3.082 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.774 -0.968 2.567 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.374 1.974 2.150 1.00 11.42 C ATOM 0 H ILE A 61 10.567 2.146 2.290 1.00 11.08 H new ATOM 0 HA ILE A 61 9.651 0.067 4.214 1.00 11.78 H new ATOM 0 HB ILE A 61 8.597 0.743 1.456 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.122 1.135 4.013 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.153 2.379 3.336 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.794 -0.930 2.092 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.400 -1.696 2.051 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.660 -1.263 3.610 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.785 2.738 2.658 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.784 2.385 1.228 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.737 1.121 1.915 1.00 11.42 H new ATOM 981 N GLN A 62 11.514 -1.521 3.187 1.00 13.97 N ATOM 982 CA GLN A 62 12.278 -2.539 2.600 1.00 15.52 C ATOM 983 C GLN A 62 11.514 -3.870 2.532 1.00 13.94 C ATOM 984 O GLN A 62 10.403 -3.925 3.029 1.00 12.15 O ATOM 985 CB GLN A 62 13.664 -2.793 3.339 1.00 19.53 C ATOM 986 CG GLN A 62 13.605 -3.489 4.674 1.00 26.38 C ATOM 987 CD GLN A 62 12.906 -2.710 5.864 1.00 30.61 C ATOM 988 OE1 GLN A 62 12.823 -1.481 5.782 1.00 33.23 O ATOM 989 NE2 GLN A 62 12.606 -3.387 6.964 1.00 32.71 N ATOM 0 H GLN A 62 11.589 -1.475 4.203 1.00 13.97 H new ATOM 0 HA GLN A 62 12.484 -2.179 1.592 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.299 -3.382 2.677 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.156 -1.830 3.479 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.085 -4.437 4.538 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.625 -3.726 4.977 1.00 26.38 H new ATOM 0 HE21 GLN A 62 12.693 -4.403 6.977 1.00 32.71 H new ATOM 0 HE22 GLN A 62 12.289 -2.892 7.797 1.00 32.71 H new ATOM 998 N LYS A 63 12.070 -4.910 1.913 1.00 11.73 N ATOM 999 CA LYS A 63 11.612 -6.262 1.976 1.00 11.97 C ATOM 1000 C LYS A 63 10.915 -6.788 3.296 1.00 10.41 C ATOM 1001 O LYS A 63 11.348 -6.585 4.409 1.00 9.59 O ATOM 1002 CB LYS A 63 12.780 -7.253 1.598 1.00 13.73 C ATOM 1003 CG LYS A 63 14.014 -7.184 2.440 1.00 16.98 C ATOM 1004 CD LYS A 63 15.160 -8.224 2.003 1.00 20.19 C ATOM 1005 CE LYS A 63 15.932 -7.787 0.814 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.248 -8.541 0.648 1.00 25.97 N ATOM 0 H LYS A 63 12.898 -4.806 1.326 1.00 11.73 H new ATOM 0 HA LYS A 63 10.797 -6.243 1.253 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.392 -8.271 1.644 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.063 -7.067 0.562 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.418 -6.173 2.393 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.744 -7.372 3.479 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.845 -8.370 2.838 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.702 -9.191 1.794 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.324 -7.928 -0.079 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.139 -6.720 0.894 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.743 -8.193 -0.198 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.844 -8.387 1.486 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.055 -9.557 0.543 1.00 25.97 H new ATOM 1020 N GLU A 64 9.847 -7.631 3.191 1.00 10.04 N ATOM 1021 CA GLU A 64 9.319 -8.529 4.231 1.00 10.94 C ATOM 1022 C GLU A 64 8.558 -7.755 5.279 1.00 9.74 C ATOM 1023 O GLU A 64 8.254 -8.249 6.369 1.00 9.42 O ATOM 1024 CB GLU A 64 10.462 -9.365 4.950 1.00 18.31 C ATOM 1025 CG GLU A 64 11.342 -10.151 3.952 1.00 24.16 C ATOM 1026 CD GLU A 64 12.125 -11.135 4.810 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.961 -10.718 5.696 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.917 -12.369 4.579 1.00 31.72 O ATOM 0 H GLU A 64 9.310 -7.697 2.326 1.00 10.04 H new ATOM 0 HA GLU A 64 8.652 -9.222 3.719 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.091 -8.689 5.529 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.008 -10.061 5.655 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.733 -10.670 3.212 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.010 -9.485 3.405 1.00 24.16 H new ATOM 1035 N SER A 65 8.346 -6.508 4.993 1.00 6.85 N ATOM 1036 CA SER A 65 7.867 -5.463 5.914 1.00 6.90 C ATOM 1037 C SER A 65 6.328 -5.517 5.832 1.00 4.72 C ATOM 1038 O SER A 65 5.735 -5.826 4.801 1.00 3.91 O ATOM 1039 CB SER A 65 8.236 -4.033 5.537 1.00 7.28 C ATOM 1040 OG SER A 65 9.631 -3.895 5.769 1.00 10.56 O ATOM 0 H SER A 65 8.507 -6.145 4.054 1.00 6.85 H new ATOM 0 HA SER A 65 8.319 -5.666 6.885 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.996 -3.834 4.492 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.672 -3.318 6.135 1.00 7.28 H new ATOM 0 HG SER A 65 10.106 -3.884 4.912 1.00 10.56 H new ATOM 1046 N THR A 66 5.660 -5.193 6.891 1.00 4.48 N ATOM 1047 CA THR A 66 4.182 -5.191 6.940 1.00 3.80 C ATOM 1048 C THR A 66 3.677 -3.793 6.742 1.00 4.60 C ATOM 1049 O THR A 66 4.156 -2.856 7.416 1.00 5.33 O ATOM 1050 CB THR A 66 3.631 -5.622 8.253 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.268 -6.880 8.609 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.120 -5.925 8.026 1.00 3.40 C ATOM 0 H THR A 66 6.101 -4.916 7.768 1.00 4.48 H new ATOM 0 HA THR A 66 3.865 -5.886 6.162 1.00 3.80 H new ATOM 0 HB THR A 66 3.790 -4.866 9.022 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.924 -7.188 9.474 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.668 -6.247 8.964 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.618 -5.025 7.671 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.015 -6.716 7.283 1.00 3.40 H new ATOM 1060 N LEU A 67 2.676 -3.566 5.932 1.00 4.17 N ATOM 1061 CA LEU A 67 2.035 -2.264 5.774 1.00 3.85 C ATOM 1062 C LEU A 67 0.629 -2.457 6.100 1.00 3.80 C ATOM 1063 O LEU A 67 -0.022 -3.488 5.938 1.00 5.54 O ATOM 1064 CB LEU A 67 2.207 -1.789 4.341 1.00 7.18 C ATOM 1065 CG LEU A 67 3.619 -1.582 3.937 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.377 -2.844 3.389 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.664 -0.390 3.008 1.00 11.66 C ATOM 0 H LEU A 67 2.266 -4.292 5.345 1.00 4.17 H new ATOM 0 HA LEU A 67 2.474 -1.507 6.424 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.752 -2.518 3.671 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.662 -0.854 4.212 1.00 7.18 H new ATOM 0 HG LEU A 67 4.194 -1.380 4.841 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.399 -2.569 3.127 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.395 -3.619 4.155 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.864 -3.221 2.504 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.692 -0.213 2.693 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.045 -0.587 2.132 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.287 0.491 3.528 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.019 -1.415 6.693 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.450 -1.438 6.916 1.00 4.17 C ATOM 1081 C HIS A 68 -2.208 -1.033 5.713 1.00 5.32 C ATOM 1082 O HIS A 68 -1.895 -0.033 5.031 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.711 -0.393 8.008 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.954 -0.522 9.296 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.361 -0.280 9.482 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.360 -1.176 10.398 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.724 -0.753 10.647 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.253 -1.329 11.266 1.00 16.30 N ATOM 0 H HIS A 68 0.444 -0.565 7.015 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.767 -2.447 7.182 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.494 0.590 7.589 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.775 -0.412 8.242 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.974 0.196 8.820 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.364 -1.526 10.589 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.725 -0.671 11.045 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.283 -1.857 5.472 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.288 -1.589 4.501 1.00 3.97 C ATOM 1098 C LEU A 69 -5.618 -1.219 5.194 1.00 5.07 C ATOM 1099 O LEU A 69 -6.210 -1.889 6.010 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.623 -2.840 3.619 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.655 -2.692 2.575 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.464 -1.489 1.577 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.758 -4.008 1.797 1.00 9.96 C ATOM 0 H LEU A 69 -3.435 -2.728 5.980 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.890 -0.781 3.887 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.702 -3.164 3.135 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.934 -3.645 4.285 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.577 -2.453 3.106 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.281 -1.481 0.856 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.462 -0.552 2.133 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.516 -1.600 1.050 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.518 -3.913 1.021 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.796 -4.235 1.337 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.033 -4.813 2.478 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.029 0.037 4.913 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.299 0.555 5.511 1.00 6.26 C ATOM 1117 C VAL A 70 -8.266 1.076 4.417 1.00 9.22 C ATOM 1118 O VAL A 70 -7.812 1.845 3.560 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.098 1.623 6.501 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.457 2.106 7.043 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.266 1.106 7.692 1.00 8.54 C ATOM 0 H VAL A 70 -5.534 0.691 4.307 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.732 -0.302 6.028 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.574 2.442 6.008 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.296 2.897 7.776 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.061 2.490 6.221 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.977 1.273 7.517 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.127 1.910 8.415 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.789 0.276 8.168 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.293 0.766 7.336 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.518 0.602 4.358 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.399 1.033 3.262 1.00 16.06 C ATOM 1133 C LEU A 71 -10.925 2.486 3.398 1.00 18.09 C ATOM 1134 O LEU A 71 -11.174 2.973 4.486 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.623 0.000 3.245 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.262 -1.477 3.027 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.531 -2.272 3.252 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.745 -1.672 1.621 1.00 19.57 C ATOM 0 H LEU A 71 -9.931 -0.051 5.024 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.829 1.034 2.333 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.157 0.086 4.191 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.316 0.303 2.460 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.480 -1.806 3.712 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.326 -3.333 3.108 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.889 -2.106 4.268 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.293 -1.950 2.542 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.490 -2.721 1.469 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.514 -1.379 0.907 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.857 -1.057 1.471 1.00 19.57 H new