USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 367 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 40 SER OG : rot 180:sc= -0.598 USER MOD Set 1.2: A 46 ASN : amide:sc= -9.44! C(o=-10!,f=-16!) USER MOD Single : A 1 ARG N :NH3+ 140:sc= 0.0119 (180deg=-0.118) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -1.79! C(o=-1.8!,f=-1.6!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 75:sc= 1.18 USER MOD Single : A 17 HIS : no HD1:sc= -1.68 X(o=-1.7,f=-1.5) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 89:sc= 1.19 USER MOD Single : A 35 GLN : amide:sc= -0.749 K(o=-0.75,f=-3.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.32 K(o=-1.3,f=-7.3!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -19.854 -2.519 2.833 1.00 0.00 N ATOM 2 CA ARG A 1 -19.660 -2.522 1.394 1.00 0.00 C ATOM 3 C ARG A 1 -19.414 -1.100 0.888 1.00 0.00 C ATOM 4 O ARG A 1 -20.061 -0.155 1.338 1.00 0.00 O ATOM 5 CB ARG A 1 -20.877 -3.108 0.674 1.00 0.00 C ATOM 6 CG ARG A 1 -22.075 -2.158 0.762 1.00 0.00 C ATOM 7 CD ARG A 1 -22.345 -1.493 -0.589 1.00 0.00 C ATOM 8 NE ARG A 1 -23.720 -0.945 -0.616 1.00 0.00 N ATOM 9 CZ ARG A 1 -24.102 0.160 0.040 1.00 0.00 C ATOM 10 NH1 ARG A 1 -23.214 0.840 0.778 1.00 0.00 N ATOM 11 NH2 ARG A 1 -25.370 0.583 -0.042 1.00 0.00 N ATOM 0 H1 ARG A 1 -20.612 -3.186 3.083 1.00 0.00 H new ATOM 0 H2 ARG A 1 -18.972 -2.806 3.303 1.00 0.00 H new ATOM 0 H3 ARG A 1 -20.118 -1.563 3.146 1.00 0.00 H new ATOM 0 HA ARG A 1 -18.791 -3.144 1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -20.631 -3.294 -0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -21.137 -4.070 1.116 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -22.959 -2.709 1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -21.884 -1.394 1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -21.623 -0.695 -0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -22.217 -2.218 -1.393 1.00 0.00 H new ATOM 0 HE ARG A 1 -24.421 -1.439 -1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -22.249 0.517 0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -23.503 1.681 1.278 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -26.045 0.064 -0.604 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -25.660 1.424 0.457 1.00 0.00 H new ATOM 22 N ILE A 2 -18.476 -0.989 -0.042 1.00 0.00 N ATOM 23 CA ILE A 2 -18.135 0.302 -0.614 1.00 0.00 C ATOM 24 C ILE A 2 -18.538 0.324 -2.089 1.00 0.00 C ATOM 25 O ILE A 2 -18.302 -0.640 -2.815 1.00 0.00 O ATOM 26 CB ILE A 2 -16.659 0.623 -0.374 1.00 0.00 C ATOM 27 CG1 ILE A 2 -15.804 -0.644 -0.451 1.00 0.00 C ATOM 28 CG2 ILE A 2 -16.467 1.365 0.951 1.00 0.00 C ATOM 29 CD1 ILE A 2 -15.870 -1.266 -1.847 1.00 0.00 C ATOM 0 H ILE A 2 -17.941 -1.774 -0.414 1.00 0.00 H new ATOM 0 HA ILE A 2 -18.693 1.097 -0.119 1.00 0.00 H new ATOM 0 HB ILE A 2 -16.320 1.289 -1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -14.770 -0.405 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -16.149 -1.366 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -15.409 1.581 1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -17.028 2.299 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -16.827 0.744 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.254 -2.165 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.902 -1.527 -2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.501 -0.551 -2.582 1.00 0.00 H new ATOM 40 N TYR A 3 -19.139 1.435 -2.490 1.00 0.00 N ATOM 41 CA TYR A 3 -19.576 1.595 -3.866 1.00 0.00 C ATOM 42 C TYR A 3 -18.509 2.304 -4.702 1.00 0.00 C ATOM 43 O TYR A 3 -18.832 3.041 -5.632 1.00 0.00 O ATOM 44 CB TYR A 3 -20.830 2.471 -3.811 1.00 0.00 C ATOM 45 CG TYR A 3 -22.134 1.683 -3.686 1.00 0.00 C ATOM 46 CD1 TYR A 3 -22.108 0.363 -3.286 1.00 0.00 C ATOM 47 CD2 TYR A 3 -23.339 2.293 -3.973 1.00 0.00 C ATOM 48 CE1 TYR A 3 -23.336 -0.379 -3.169 1.00 0.00 C ATOM 49 CE2 TYR A 3 -24.568 1.551 -3.855 1.00 0.00 C ATOM 50 CZ TYR A 3 -24.506 0.251 -3.459 1.00 0.00 C ATOM 51 OH TYR A 3 -25.667 -0.449 -3.348 1.00 0.00 O ATOM 0 H TYR A 3 -19.333 2.233 -1.885 1.00 0.00 H new ATOM 0 HA TYR A 3 -19.764 0.624 -4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -20.747 3.153 -2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -20.873 3.084 -4.712 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -21.166 -0.114 -3.060 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -23.360 3.326 -4.286 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -23.328 -1.413 -2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -25.517 2.016 -4.076 1.00 0.00 H new ATOM 0 HH TYR A 3 -26.422 0.129 -3.586 1.00 0.00 H new ATOM 60 N LYS A 4 -17.259 2.057 -4.340 1.00 0.00 N ATOM 61 CA LYS A 4 -16.141 2.662 -5.044 1.00 0.00 C ATOM 62 C LYS A 4 -16.472 4.124 -5.355 1.00 0.00 C ATOM 63 O LYS A 4 -16.054 4.654 -6.383 1.00 0.00 O ATOM 64 CB LYS A 4 -15.778 1.839 -6.281 1.00 0.00 C ATOM 65 CG LYS A 4 -16.474 2.386 -7.528 1.00 0.00 C ATOM 66 CD LYS A 4 -16.877 1.252 -8.474 1.00 0.00 C ATOM 67 CE LYS A 4 -16.991 1.753 -9.915 1.00 0.00 C ATOM 68 NZ LYS A 4 -18.412 1.899 -10.302 1.00 0.00 N ATOM 0 H LYS A 4 -16.995 1.445 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.250 2.661 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.698 1.853 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.065 0.799 -6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.358 2.952 -7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.809 3.077 -8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.140 0.451 -8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.830 0.830 -8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.481 2.711 -10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.494 1.055 -10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.471 2.240 -11.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.889 0.978 -10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.876 2.582 -9.669 1.00 0.00 H new ATOM 78 N GLY A 5 -17.218 4.734 -4.446 1.00 0.00 N ATOM 79 CA GLY A 5 -17.609 6.125 -4.609 1.00 0.00 C ATOM 80 C GLY A 5 -18.759 6.257 -5.610 1.00 0.00 C ATOM 81 O GLY A 5 -18.744 7.140 -6.465 1.00 0.00 O ATOM 0 H GLY A 5 -17.562 4.291 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.911 6.537 -3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -16.755 6.709 -4.952 1.00 0.00 H new ATOM 85 N VAL A 6 -19.730 5.364 -5.469 1.00 0.00 N ATOM 86 CA VAL A 6 -20.885 5.370 -6.349 1.00 0.00 C ATOM 87 C VAL A 6 -20.448 5.791 -7.753 1.00 0.00 C ATOM 88 O VAL A 6 -19.313 5.541 -8.157 1.00 0.00 O ATOM 89 CB VAL A 6 -21.981 6.267 -5.770 1.00 0.00 C ATOM 90 CG1 VAL A 6 -21.748 7.731 -6.150 1.00 0.00 C ATOM 91 CG2 VAL A 6 -23.366 5.798 -6.215 1.00 0.00 C ATOM 0 H VAL A 6 -19.739 4.632 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 6 -21.311 4.370 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 6 -21.937 6.192 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -22.541 8.347 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -20.785 8.059 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -21.752 7.830 -7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -24.126 6.453 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -23.428 5.829 -7.303 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -23.533 4.777 -5.871 1.00 0.00 H new ATOM 101 N ILE A 7 -21.373 6.424 -8.461 1.00 0.00 N ATOM 102 CA ILE A 7 -21.098 6.882 -9.812 1.00 0.00 C ATOM 103 C ILE A 7 -21.431 8.371 -9.919 1.00 0.00 C ATOM 104 O ILE A 7 -20.638 9.153 -10.442 1.00 0.00 O ATOM 105 CB ILE A 7 -21.834 6.012 -10.833 1.00 0.00 C ATOM 106 CG1 ILE A 7 -23.106 5.414 -10.229 1.00 0.00 C ATOM 107 CG2 ILE A 7 -20.909 4.936 -11.405 1.00 0.00 C ATOM 108 CD1 ILE A 7 -23.863 4.576 -11.262 1.00 0.00 C ATOM 0 H ILE A 7 -22.313 6.630 -8.124 1.00 0.00 H new ATOM 0 HA ILE A 7 -20.038 6.775 -10.042 1.00 0.00 H new ATOM 0 HB ILE A 7 -22.141 6.647 -11.664 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -22.848 4.794 -9.371 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -23.749 6.214 -9.862 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -21.457 4.332 -12.128 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -20.060 5.410 -11.898 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -20.550 4.298 -10.597 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.763 4.163 -10.806 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.141 5.205 -12.108 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -23.225 3.763 -11.608 1.00 0.00 H new ATOM 119 N GLN A 8 -22.606 8.719 -9.415 1.00 0.00 N ATOM 120 CA GLN A 8 -23.054 10.102 -9.447 1.00 0.00 C ATOM 121 C GLN A 8 -22.026 11.008 -8.768 1.00 0.00 C ATOM 122 O GLN A 8 -21.972 12.207 -9.043 1.00 0.00 O ATOM 123 CB GLN A 8 -24.430 10.247 -8.794 1.00 0.00 C ATOM 124 CG GLN A 8 -24.399 11.294 -7.678 1.00 0.00 C ATOM 125 CD GLN A 8 -25.816 11.658 -7.230 1.00 0.00 C ATOM 126 OE1 GLN A 8 -26.548 12.362 -7.906 1.00 0.00 O ATOM 127 NE2 GLN A 8 -26.161 11.141 -6.054 1.00 0.00 N ATOM 0 H GLN A 8 -23.261 8.068 -8.982 1.00 0.00 H new ATOM 0 HA GLN A 8 -23.148 10.410 -10.488 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -25.165 10.533 -9.546 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -24.747 9.286 -8.388 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -23.833 10.910 -6.830 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -23.883 12.188 -8.027 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -25.500 10.559 -5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -27.087 11.326 -5.667 1.00 0.00 H new ATOM 134 N ALA A 9 -21.236 10.403 -7.894 1.00 0.00 N ATOM 135 CA ALA A 9 -20.212 11.141 -7.173 1.00 0.00 C ATOM 136 C ALA A 9 -19.510 12.102 -8.135 1.00 0.00 C ATOM 137 O ALA A 9 -18.961 13.118 -7.712 1.00 0.00 O ATOM 138 CB ALA A 9 -19.240 10.159 -6.518 1.00 0.00 C ATOM 0 H ALA A 9 -21.284 9.409 -7.668 1.00 0.00 H new ATOM 0 HA ALA A 9 -20.658 11.738 -6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.472 10.713 -5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.783 9.519 -5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.771 9.544 -7.286 1.00 0.00 H new ATOM 144 N ILE A 10 -19.550 11.746 -9.410 1.00 0.00 N ATOM 145 CA ILE A 10 -18.926 12.564 -10.436 1.00 0.00 C ATOM 146 C ILE A 10 -19.325 14.026 -10.230 1.00 0.00 C ATOM 147 O ILE A 10 -18.631 14.934 -10.687 1.00 0.00 O ATOM 148 CB ILE A 10 -19.259 12.025 -11.829 1.00 0.00 C ATOM 149 CG1 ILE A 10 -18.708 10.610 -12.016 1.00 0.00 C ATOM 150 CG2 ILE A 10 -18.766 12.981 -12.918 1.00 0.00 C ATOM 151 CD1 ILE A 10 -19.620 9.783 -12.923 1.00 0.00 C ATOM 0 H ILE A 10 -20.005 10.901 -9.756 1.00 0.00 H new ATOM 0 HA ILE A 10 -17.840 12.515 -10.353 1.00 0.00 H new ATOM 0 HB ILE A 10 -20.343 11.962 -11.921 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -17.708 10.659 -12.447 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.613 10.121 -11.046 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.015 12.575 -13.898 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -19.246 13.952 -12.795 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.685 13.098 -12.837 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.206 8.782 -13.040 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.612 9.716 -12.477 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -19.693 10.262 -13.900 1.00 0.00 H new ATOM 162 N GLN A 11 -20.443 14.210 -9.541 1.00 0.00 N ATOM 163 CA GLN A 11 -20.943 15.547 -9.269 1.00 0.00 C ATOM 164 C GLN A 11 -19.798 16.466 -8.841 1.00 0.00 C ATOM 165 O GLN A 11 -19.851 17.675 -9.061 1.00 0.00 O ATOM 166 CB GLN A 11 -22.046 15.514 -8.210 1.00 0.00 C ATOM 167 CG GLN A 11 -21.453 15.571 -6.800 1.00 0.00 C ATOM 168 CD GLN A 11 -21.310 17.019 -6.325 1.00 0.00 C ATOM 169 OE1 GLN A 11 -22.214 17.830 -6.442 1.00 0.00 O ATOM 170 NE2 GLN A 11 -20.127 17.296 -5.784 1.00 0.00 N ATOM 0 H GLN A 11 -21.016 13.455 -9.163 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.377 15.945 -10.186 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -22.723 16.355 -8.358 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -22.637 14.605 -8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.092 15.019 -6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -20.478 15.083 -6.791 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.414 16.569 -5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.933 18.235 -5.436 1.00 0.00 H new ATOM 177 N LYS A 12 -18.788 15.857 -8.238 1.00 0.00 N ATOM 178 CA LYS A 12 -17.631 16.606 -7.776 1.00 0.00 C ATOM 179 C LYS A 12 -17.175 17.564 -8.879 1.00 0.00 C ATOM 180 O LYS A 12 -16.642 18.635 -8.594 1.00 0.00 O ATOM 181 CB LYS A 12 -16.533 15.654 -7.298 1.00 0.00 C ATOM 182 CG LYS A 12 -16.334 14.503 -8.286 1.00 0.00 C ATOM 183 CD LYS A 12 -15.433 14.929 -9.449 1.00 0.00 C ATOM 184 CE LYS A 12 -13.973 14.571 -9.171 1.00 0.00 C ATOM 185 NZ LYS A 12 -13.123 14.919 -10.331 1.00 0.00 N ATOM 0 H LYS A 12 -18.746 14.854 -8.058 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.893 17.215 -6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.598 16.202 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.794 15.255 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -15.892 13.650 -7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.301 14.177 -8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.762 14.441 -10.366 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.524 16.003 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.625 15.102 -8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.888 13.505 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.135 14.669 -10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.446 14.393 -11.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.190 15.940 -10.517 1.00 0.00 H new ATOM 195 N SER A 13 -17.402 17.143 -10.115 1.00 0.00 N ATOM 196 CA SER A 13 -17.022 17.950 -11.261 1.00 0.00 C ATOM 197 C SER A 13 -17.766 19.286 -11.231 1.00 0.00 C ATOM 198 O SER A 13 -17.216 20.317 -11.614 1.00 0.00 O ATOM 199 CB SER A 13 -17.306 17.213 -12.572 1.00 0.00 C ATOM 200 OG SER A 13 -16.876 15.856 -12.526 1.00 0.00 O ATOM 0 H SER A 13 -17.844 16.254 -10.347 1.00 0.00 H new ATOM 0 HA SER A 13 -15.950 18.138 -11.206 1.00 0.00 H new ATOM 0 HB2 SER A 13 -18.375 17.247 -12.783 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.803 17.725 -13.392 1.00 0.00 H new ATOM 0 HG SER A 13 -17.502 15.333 -11.983 1.00 0.00 H new ATOM 205 N ASP A 14 -19.008 19.225 -10.771 1.00 0.00 N ATOM 206 CA ASP A 14 -19.834 20.417 -10.686 1.00 0.00 C ATOM 207 C ASP A 14 -19.212 21.392 -9.685 1.00 0.00 C ATOM 208 O ASP A 14 -19.361 22.606 -9.821 1.00 0.00 O ATOM 209 CB ASP A 14 -21.244 20.076 -10.201 1.00 0.00 C ATOM 210 CG ASP A 14 -22.065 19.210 -11.156 1.00 0.00 C ATOM 211 OD1 ASP A 14 -21.639 18.057 -11.385 1.00 0.00 O ATOM 212 OD2 ASP A 14 -23.102 19.719 -11.636 1.00 0.00 O ATOM 0 H ASP A 14 -19.462 18.368 -10.453 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.892 20.859 -11.681 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -21.168 19.562 -9.243 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -21.785 21.005 -10.022 1.00 0.00 H new ATOM 216 N GLU A 15 -18.527 20.826 -8.703 1.00 0.00 N ATOM 217 CA GLU A 15 -17.882 21.631 -7.679 1.00 0.00 C ATOM 218 C GLU A 15 -16.741 22.449 -8.288 1.00 0.00 C ATOM 219 O GLU A 15 -16.647 23.654 -8.060 1.00 0.00 O ATOM 220 CB GLU A 15 -17.375 20.755 -6.531 1.00 0.00 C ATOM 221 CG GLU A 15 -18.231 20.946 -5.277 1.00 0.00 C ATOM 222 CD GLU A 15 -18.039 22.345 -4.691 1.00 0.00 C ATOM 223 OE1 GLU A 15 -18.629 23.287 -5.263 1.00 0.00 O ATOM 224 OE2 GLU A 15 -17.306 22.443 -3.683 1.00 0.00 O ATOM 0 H GLU A 15 -18.404 19.819 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 15 -18.620 22.320 -7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.393 19.708 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.337 21.005 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -19.282 20.792 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.964 20.196 -4.532 1.00 0.00 H new ATOM 229 N GLY A 16 -15.904 21.761 -9.051 1.00 0.00 N ATOM 230 CA GLY A 16 -14.773 22.410 -9.694 1.00 0.00 C ATOM 231 C GLY A 16 -13.617 22.598 -8.711 1.00 0.00 C ATOM 232 O GLY A 16 -12.485 22.210 -8.996 1.00 0.00 O ATOM 0 H GLY A 16 -15.986 20.762 -9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -14.440 21.812 -10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.081 23.378 -10.088 1.00 0.00 H new ATOM 236 N HIS A 17 -13.942 23.194 -7.572 1.00 0.00 N ATOM 237 CA HIS A 17 -12.944 23.439 -6.545 1.00 0.00 C ATOM 238 C HIS A 17 -11.826 24.316 -7.114 1.00 0.00 C ATOM 239 O HIS A 17 -11.613 24.348 -8.324 1.00 0.00 O ATOM 240 CB HIS A 17 -12.427 22.122 -5.965 1.00 0.00 C ATOM 241 CG HIS A 17 -12.862 21.864 -4.541 1.00 0.00 C ATOM 242 ND1 HIS A 17 -12.378 20.807 -3.790 1.00 0.00 N ATOM 243 CD2 HIS A 17 -13.738 22.536 -3.742 1.00 0.00 C ATOM 244 CE1 HIS A 17 -12.946 20.851 -2.593 1.00 0.00 C ATOM 245 NE2 HIS A 17 -13.788 21.923 -2.565 1.00 0.00 N ATOM 0 H HIS A 17 -14.882 23.514 -7.339 1.00 0.00 H new ATOM 0 HA HIS A 17 -13.397 23.981 -5.715 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.771 21.300 -6.593 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.338 22.121 -6.007 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.297 23.418 -4.019 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -12.772 20.159 -1.782 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -14.362 22.207 -1.771 1.00 0.00 H new ATOM 253 N PRO A 18 -11.125 25.024 -6.187 1.00 0.00 N ATOM 254 CA PRO A 18 -10.035 25.900 -6.585 1.00 0.00 C ATOM 255 C PRO A 18 -8.791 25.091 -6.959 1.00 0.00 C ATOM 256 O PRO A 18 -8.377 25.083 -8.117 1.00 0.00 O ATOM 257 CB PRO A 18 -9.811 26.815 -5.392 1.00 0.00 C ATOM 258 CG PRO A 18 -10.462 26.121 -4.206 1.00 0.00 C ATOM 259 CD PRO A 18 -11.350 25.011 -4.745 1.00 0.00 C ATOM 0 HA PRO A 18 -10.266 26.481 -7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.747 26.974 -5.216 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.255 27.795 -5.563 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.703 25.713 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.049 26.831 -3.624 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.085 24.047 -4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.398 25.191 -4.506 1.00 0.00 H new ATOM 264 N PHE A 19 -8.231 24.430 -5.957 1.00 0.00 N ATOM 265 CA PHE A 19 -7.042 23.620 -6.167 1.00 0.00 C ATOM 266 C PHE A 19 -6.581 22.975 -4.858 1.00 0.00 C ATOM 267 O PHE A 19 -6.430 21.755 -4.783 1.00 0.00 O ATOM 268 CB PHE A 19 -5.946 24.558 -6.674 1.00 0.00 C ATOM 269 CG PHE A 19 -5.063 23.950 -7.766 1.00 0.00 C ATOM 270 CD1 PHE A 19 -4.318 22.843 -7.501 1.00 0.00 C ATOM 271 CD2 PHE A 19 -5.023 24.516 -9.002 1.00 0.00 C ATOM 272 CE1 PHE A 19 -3.499 22.279 -8.515 1.00 0.00 C ATOM 273 CE2 PHE A 19 -4.205 23.953 -10.016 1.00 0.00 C ATOM 274 CZ PHE A 19 -3.460 22.846 -9.751 1.00 0.00 C ATOM 0 H PHE A 19 -8.578 24.438 -4.998 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.255 22.822 -6.879 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.409 25.466 -7.059 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.317 24.852 -5.834 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.349 22.393 -6.520 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.614 25.395 -9.212 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.907 21.400 -8.305 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.174 24.403 -10.997 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.837 22.417 -10.522 1.00 0.00 H new ATOM 283 N ARG A 20 -6.369 23.820 -3.861 1.00 0.00 N ATOM 284 CA ARG A 20 -5.929 23.348 -2.560 1.00 0.00 C ATOM 285 C ARG A 20 -7.080 22.656 -1.828 1.00 0.00 C ATOM 286 O ARG A 20 -6.854 21.769 -1.005 1.00 0.00 O ATOM 287 CB ARG A 20 -5.409 24.503 -1.701 1.00 0.00 C ATOM 288 CG ARG A 20 -6.330 25.720 -1.805 1.00 0.00 C ATOM 289 CD ARG A 20 -7.664 25.461 -1.102 1.00 0.00 C ATOM 290 NE ARG A 20 -7.955 26.555 -0.149 1.00 0.00 N ATOM 291 CZ ARG A 20 -8.793 26.441 0.890 1.00 0.00 C ATOM 292 NH1 ARG A 20 -9.429 25.284 1.117 1.00 0.00 N ATOM 293 NH2 ARG A 20 -8.998 27.487 1.703 1.00 0.00 N ATOM 0 H ARG A 20 -6.494 24.830 -3.928 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.118 22.638 -2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.337 24.184 -0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.403 24.775 -2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.843 26.588 -1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.508 25.957 -2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.464 25.387 -1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.627 24.508 -0.574 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.489 27.451 -0.292 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.276 24.488 0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.067 25.199 1.909 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.516 28.369 1.530 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.636 27.401 2.494 1.00 0.00 H new ATOM 304 N ALA A 21 -8.290 23.086 -2.154 1.00 0.00 N ATOM 305 CA ALA A 21 -9.477 22.519 -1.538 1.00 0.00 C ATOM 306 C ALA A 21 -9.516 21.013 -1.807 1.00 0.00 C ATOM 307 O ALA A 21 -9.998 20.243 -0.976 1.00 0.00 O ATOM 308 CB ALA A 21 -10.720 23.237 -2.066 1.00 0.00 C ATOM 0 H ALA A 21 -8.474 23.821 -2.837 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.453 22.661 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.610 22.811 -1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.658 24.298 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.779 23.114 -3.147 1.00 0.00 H new ATOM 314 N TYR A 22 -9.001 20.638 -2.968 1.00 0.00 N ATOM 315 CA TYR A 22 -8.972 19.238 -3.357 1.00 0.00 C ATOM 316 C TYR A 22 -7.980 18.452 -2.497 1.00 0.00 C ATOM 317 O TYR A 22 -8.227 17.295 -2.158 1.00 0.00 O ATOM 318 CB TYR A 22 -8.497 19.214 -4.811 1.00 0.00 C ATOM 319 CG TYR A 22 -7.499 18.096 -5.121 1.00 0.00 C ATOM 320 CD1 TYR A 22 -6.164 18.258 -4.813 1.00 0.00 C ATOM 321 CD2 TYR A 22 -7.934 16.927 -5.711 1.00 0.00 C ATOM 322 CE1 TYR A 22 -5.225 17.207 -5.105 1.00 0.00 C ATOM 323 CE2 TYR A 22 -6.995 15.876 -6.003 1.00 0.00 C ATOM 324 CZ TYR A 22 -5.686 16.067 -5.685 1.00 0.00 C ATOM 325 OH TYR A 22 -4.799 15.074 -5.962 1.00 0.00 O ATOM 0 H TYR A 22 -8.600 21.279 -3.653 1.00 0.00 H new ATOM 0 HA TYR A 22 -9.955 18.784 -3.231 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.363 19.105 -5.464 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.037 20.173 -5.048 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.823 19.174 -4.353 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.979 16.801 -5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.177 17.321 -4.869 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.322 14.956 -6.464 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.270 14.320 -6.374 1.00 0.00 H new ATOM 334 N LEU A 23 -6.879 19.112 -2.167 1.00 0.00 N ATOM 335 CA LEU A 23 -5.850 18.489 -1.353 1.00 0.00 C ATOM 336 C LEU A 23 -6.469 17.993 -0.044 1.00 0.00 C ATOM 337 O LEU A 23 -6.236 16.858 0.367 1.00 0.00 O ATOM 338 CB LEU A 23 -4.672 19.446 -1.152 1.00 0.00 C ATOM 339 CG LEU A 23 -3.998 19.401 0.220 1.00 0.00 C ATOM 340 CD1 LEU A 23 -4.914 19.978 1.301 1.00 0.00 C ATOM 341 CD2 LEU A 23 -3.536 17.982 0.558 1.00 0.00 C ATOM 0 H LEU A 23 -6.678 20.071 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.440 17.617 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.920 19.230 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.021 20.463 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.108 20.029 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.410 19.934 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.150 21.015 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.835 19.397 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.060 17.978 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.396 17.312 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.822 17.643 -0.193 1.00 0.00 H new ATOM 352 N GLU A 24 -7.248 18.871 0.573 1.00 0.00 N ATOM 353 CA GLU A 24 -7.904 18.537 1.826 1.00 0.00 C ATOM 354 C GLU A 24 -8.685 17.229 1.685 1.00 0.00 C ATOM 355 O GLU A 24 -8.891 16.516 2.666 1.00 0.00 O ATOM 356 CB GLU A 24 -8.817 19.675 2.287 1.00 0.00 C ATOM 357 CG GLU A 24 -8.717 19.880 3.799 1.00 0.00 C ATOM 358 CD GLU A 24 -10.083 19.708 4.467 1.00 0.00 C ATOM 359 OE1 GLU A 24 -10.848 20.697 4.458 1.00 0.00 O ATOM 360 OE2 GLU A 24 -10.330 18.592 4.974 1.00 0.00 O ATOM 0 H GLU A 24 -7.439 19.812 0.229 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.138 18.398 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.544 20.596 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.848 19.452 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.010 19.166 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.328 20.876 4.010 1.00 0.00 H new ATOM 365 N SER A 25 -9.099 16.953 0.457 1.00 0.00 N ATOM 366 CA SER A 25 -9.853 15.745 0.175 1.00 0.00 C ATOM 367 C SER A 25 -9.078 14.519 0.661 1.00 0.00 C ATOM 368 O SER A 25 -9.655 13.449 0.851 1.00 0.00 O ATOM 369 CB SER A 25 -10.157 15.621 -1.320 1.00 0.00 C ATOM 370 OG SER A 25 -11.169 14.652 -1.581 1.00 0.00 O ATOM 0 H SER A 25 -8.926 17.546 -0.354 1.00 0.00 H new ATOM 0 HA SER A 25 -10.802 15.803 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.474 16.589 -1.707 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.247 15.347 -1.853 1.00 0.00 H new ATOM 0 HG SER A 25 -11.335 14.604 -2.546 1.00 0.00 H new ATOM 375 N GLU A 26 -7.781 14.715 0.851 1.00 0.00 N ATOM 376 CA GLU A 26 -6.920 13.639 1.312 1.00 0.00 C ATOM 377 C GLU A 26 -7.420 13.098 2.653 1.00 0.00 C ATOM 378 O GLU A 26 -7.410 11.888 2.881 1.00 0.00 O ATOM 379 CB GLU A 26 -5.467 14.105 1.416 1.00 0.00 C ATOM 380 CG GLU A 26 -5.355 15.366 2.276 1.00 0.00 C ATOM 381 CD GLU A 26 -4.796 15.037 3.661 1.00 0.00 C ATOM 382 OE1 GLU A 26 -3.971 14.100 3.733 1.00 0.00 O ATOM 383 OE2 GLU A 26 -5.206 15.729 4.618 1.00 0.00 O ATOM 0 H GLU A 26 -7.306 15.604 0.694 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.956 12.832 0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.857 13.311 1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.073 14.304 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.708 16.091 1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.336 15.830 2.377 1.00 0.00 H new ATOM 388 N VAL A 27 -7.845 14.019 3.506 1.00 0.00 N ATOM 389 CA VAL A 27 -8.347 13.649 4.818 1.00 0.00 C ATOM 390 C VAL A 27 -9.735 13.022 4.670 1.00 0.00 C ATOM 391 O VAL A 27 -10.048 12.037 5.337 1.00 0.00 O ATOM 392 CB VAL A 27 -8.337 14.867 5.744 1.00 0.00 C ATOM 393 CG1 VAL A 27 -9.618 15.688 5.583 1.00 0.00 C ATOM 394 CG2 VAL A 27 -8.135 14.447 7.201 1.00 0.00 C ATOM 0 H VAL A 27 -7.852 15.021 3.314 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.700 12.902 5.278 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.496 15.498 5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.586 16.548 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.702 16.033 4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.480 15.069 5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.132 15.332 7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.946 13.784 7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.183 13.925 7.301 1.00 0.00 H new ATOM 404 N ALA A 28 -10.528 13.618 3.793 1.00 0.00 N ATOM 405 CA ALA A 28 -11.874 13.130 3.548 1.00 0.00 C ATOM 406 C ALA A 28 -11.808 11.674 3.082 1.00 0.00 C ATOM 407 O ALA A 28 -12.632 10.852 3.480 1.00 0.00 O ATOM 408 CB ALA A 28 -12.571 14.036 2.531 1.00 0.00 C ATOM 0 H ALA A 28 -10.264 14.435 3.243 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.463 13.157 4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.581 13.668 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.620 15.052 2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.009 14.034 1.597 1.00 0.00 H new ATOM 414 N ILE A 29 -10.818 11.399 2.244 1.00 0.00 N ATOM 415 CA ILE A 29 -10.633 10.057 1.719 1.00 0.00 C ATOM 416 C ILE A 29 -9.954 9.188 2.779 1.00 0.00 C ATOM 417 O ILE A 29 -10.225 7.993 2.874 1.00 0.00 O ATOM 418 CB ILE A 29 -9.882 10.102 0.387 1.00 0.00 C ATOM 419 CG1 ILE A 29 -8.452 10.613 0.580 1.00 0.00 C ATOM 420 CG2 ILE A 29 -10.650 10.927 -0.648 1.00 0.00 C ATOM 421 CD1 ILE A 29 -7.694 10.636 -0.748 1.00 0.00 C ATOM 0 H ILE A 29 -10.136 12.083 1.916 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.597 9.597 1.500 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.811 9.085 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.475 11.616 1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.927 9.975 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.094 10.943 -1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.630 10.480 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.773 11.946 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.681 11.003 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.652 9.628 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.208 11.294 -1.449 1.00 0.00 H new ATOM 432 N SER A 30 -9.083 9.824 3.550 1.00 0.00 N ATOM 433 CA SER A 30 -8.363 9.123 4.600 1.00 0.00 C ATOM 434 C SER A 30 -9.350 8.415 5.529 1.00 0.00 C ATOM 435 O SER A 30 -9.052 7.346 6.060 1.00 0.00 O ATOM 436 CB SER A 30 -7.480 10.086 5.398 1.00 0.00 C ATOM 437 OG SER A 30 -6.337 10.500 4.655 1.00 0.00 O ATOM 0 H SER A 30 -8.860 10.816 3.468 1.00 0.00 H new ATOM 0 HA SER A 30 -7.716 8.380 4.134 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.064 10.961 5.684 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.158 9.603 6.320 1.00 0.00 H new ATOM 0 HG SER A 30 -6.557 11.303 4.137 1.00 0.00 H new ATOM 442 N GLU A 31 -10.507 9.039 5.698 1.00 0.00 N ATOM 443 CA GLU A 31 -11.540 8.483 6.554 1.00 0.00 C ATOM 444 C GLU A 31 -12.141 7.230 5.914 1.00 0.00 C ATOM 445 O GLU A 31 -12.255 6.191 6.562 1.00 0.00 O ATOM 446 CB GLU A 31 -12.623 9.520 6.853 1.00 0.00 C ATOM 447 CG GLU A 31 -13.956 8.844 7.180 1.00 0.00 C ATOM 448 CD GLU A 31 -15.032 9.881 7.511 1.00 0.00 C ATOM 449 OE1 GLU A 31 -14.989 10.962 6.885 1.00 0.00 O ATOM 450 OE2 GLU A 31 -15.872 9.569 8.382 1.00 0.00 O ATOM 0 H GLU A 31 -10.751 9.925 5.256 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.085 8.200 7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.312 10.144 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.747 10.179 5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.278 8.239 6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.827 8.167 8.024 1.00 0.00 H new ATOM 455 N GLU A 32 -12.512 7.371 4.649 1.00 0.00 N ATOM 456 CA GLU A 32 -13.100 6.264 3.914 1.00 0.00 C ATOM 457 C GLU A 32 -12.040 5.200 3.619 1.00 0.00 C ATOM 458 O GLU A 32 -12.329 4.005 3.651 1.00 0.00 O ATOM 459 CB GLU A 32 -13.762 6.752 2.624 1.00 0.00 C ATOM 460 CG GLU A 32 -14.935 7.685 2.929 1.00 0.00 C ATOM 461 CD GLU A 32 -15.998 7.605 1.831 1.00 0.00 C ATOM 462 OE1 GLU A 32 -16.315 6.465 1.430 1.00 0.00 O ATOM 463 OE2 GLU A 32 -16.470 8.686 1.418 1.00 0.00 O ATOM 0 H GLU A 32 -12.417 8.235 4.115 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.876 5.814 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.028 7.273 2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.113 5.898 2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.377 7.418 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.575 8.710 3.018 1.00 0.00 H new ATOM 468 N LEU A 33 -10.835 5.675 3.337 1.00 0.00 N ATOM 469 CA LEU A 33 -9.730 4.781 3.036 1.00 0.00 C ATOM 470 C LEU A 33 -9.631 3.714 4.129 1.00 0.00 C ATOM 471 O LEU A 33 -9.078 2.638 3.902 1.00 0.00 O ATOM 472 CB LEU A 33 -8.438 5.573 2.832 1.00 0.00 C ATOM 473 CG LEU A 33 -7.161 4.922 3.365 1.00 0.00 C ATOM 474 CD1 LEU A 33 -6.657 3.840 2.407 1.00 0.00 C ATOM 475 CD2 LEU A 33 -6.088 5.975 3.654 1.00 0.00 C ATOM 0 H LEU A 33 -10.600 6.667 3.311 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.908 4.260 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.311 5.755 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.553 6.546 3.310 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.396 4.433 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.748 3.393 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.420 3.070 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.443 4.285 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.190 5.486 4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.849 6.513 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.459 6.678 4.400 1.00 0.00 H new ATOM 486 N VAL A 34 -10.175 4.049 5.289 1.00 0.00 N ATOM 487 CA VAL A 34 -10.155 3.133 6.417 1.00 0.00 C ATOM 488 C VAL A 34 -10.802 1.809 6.006 1.00 0.00 C ATOM 489 O VAL A 34 -10.348 0.740 6.409 1.00 0.00 O ATOM 490 CB VAL A 34 -10.831 3.779 7.628 1.00 0.00 C ATOM 491 CG1 VAL A 34 -10.791 2.847 8.841 1.00 0.00 C ATOM 492 CG2 VAL A 34 -10.196 5.132 7.955 1.00 0.00 C ATOM 0 H VAL A 34 -10.632 4.942 5.473 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.129 2.914 6.713 1.00 0.00 H new ATOM 0 HB VAL A 34 -11.877 3.953 7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -11.278 3.331 9.688 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.312 1.919 8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.755 2.626 9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.696 5.569 8.820 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.138 4.993 8.179 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.301 5.799 7.100 1.00 0.00 H new ATOM 502 N GLN A 35 -11.855 1.925 5.208 1.00 0.00 N ATOM 503 CA GLN A 35 -12.570 0.750 4.739 1.00 0.00 C ATOM 504 C GLN A 35 -11.624 -0.174 3.969 1.00 0.00 C ATOM 505 O GLN A 35 -11.855 -1.379 3.893 1.00 0.00 O ATOM 506 CB GLN A 35 -13.769 1.148 3.877 1.00 0.00 C ATOM 507 CG GLN A 35 -15.062 1.132 4.696 1.00 0.00 C ATOM 508 CD GLN A 35 -15.410 -0.291 5.143 1.00 0.00 C ATOM 509 OE1 GLN A 35 -14.666 -1.233 4.932 1.00 0.00 O ATOM 510 NE2 GLN A 35 -16.578 -0.389 5.771 1.00 0.00 N ATOM 0 H GLN A 35 -12.229 2.814 4.875 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.950 0.209 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.609 2.143 3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.859 0.462 3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.952 1.775 5.569 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.879 1.540 4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.152 0.442 5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.900 -1.295 6.110 1.00 0.00 H new ATOM 517 N LYS A 36 -10.579 0.426 3.419 1.00 0.00 N ATOM 518 CA LYS A 36 -9.598 -0.327 2.657 1.00 0.00 C ATOM 519 C LYS A 36 -8.963 -1.387 3.561 1.00 0.00 C ATOM 520 O LYS A 36 -8.557 -2.448 3.089 1.00 0.00 O ATOM 521 CB LYS A 36 -8.583 0.615 2.009 1.00 0.00 C ATOM 522 CG LYS A 36 -9.287 1.709 1.203 1.00 0.00 C ATOM 523 CD LYS A 36 -10.216 1.102 0.149 1.00 0.00 C ATOM 524 CE LYS A 36 -9.481 0.054 -0.691 1.00 0.00 C ATOM 525 NZ LYS A 36 -10.334 -0.403 -1.810 1.00 0.00 N ATOM 0 H LYS A 36 -10.390 1.426 3.486 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.079 -0.854 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.960 1.070 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.920 0.047 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.861 2.348 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.545 2.342 0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.076 0.644 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.600 1.889 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.555 0.476 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.206 -0.795 -0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.821 -1.113 -2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.206 -0.824 -1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.575 0.407 -2.416 1.00 0.00 H new ATOM 535 N TYR A 37 -8.897 -1.062 4.844 1.00 0.00 N ATOM 536 CA TYR A 37 -8.317 -1.972 5.817 1.00 0.00 C ATOM 537 C TYR A 37 -8.757 -3.412 5.550 1.00 0.00 C ATOM 538 O TYR A 37 -8.055 -4.356 5.909 1.00 0.00 O ATOM 539 CB TYR A 37 -8.857 -1.531 7.179 1.00 0.00 C ATOM 540 CG TYR A 37 -8.399 -2.411 8.345 1.00 0.00 C ATOM 541 CD1 TYR A 37 -7.058 -2.493 8.661 1.00 0.00 C ATOM 542 CD2 TYR A 37 -9.326 -3.121 9.080 1.00 0.00 C ATOM 543 CE1 TYR A 37 -6.626 -3.321 9.757 1.00 0.00 C ATOM 544 CE2 TYR A 37 -8.894 -3.948 10.177 1.00 0.00 C ATOM 545 CZ TYR A 37 -7.565 -4.006 10.461 1.00 0.00 C ATOM 546 OH TYR A 37 -7.157 -4.788 11.497 1.00 0.00 O ATOM 0 H TYR A 37 -9.235 -0.182 5.232 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.228 -1.944 5.769 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.544 -0.504 7.367 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -9.946 -1.531 7.144 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.333 -1.936 8.086 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -10.375 -3.057 8.833 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.580 -3.396 10.014 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.609 -4.509 10.761 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.936 -5.217 11.910 1.00 0.00 H new ATOM 555 N SER A 38 -9.917 -3.537 4.921 1.00 0.00 N ATOM 556 CA SER A 38 -10.457 -4.847 4.601 1.00 0.00 C ATOM 557 C SER A 38 -9.433 -5.656 3.803 1.00 0.00 C ATOM 558 O SER A 38 -9.313 -6.867 3.986 1.00 0.00 O ATOM 559 CB SER A 38 -11.766 -4.726 3.817 1.00 0.00 C ATOM 560 OG SER A 38 -12.862 -4.375 4.657 1.00 0.00 O ATOM 0 H SER A 38 -10.497 -2.752 4.625 1.00 0.00 H new ATOM 0 HA SER A 38 -10.671 -5.366 5.535 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.653 -3.974 3.036 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.979 -5.672 3.320 1.00 0.00 H new ATOM 0 HG SER A 38 -13.678 -4.306 4.119 1.00 0.00 H new ATOM 565 N ASN A 39 -8.720 -4.955 2.934 1.00 0.00 N ATOM 566 CA ASN A 39 -7.709 -5.593 2.108 1.00 0.00 C ATOM 567 C ASN A 39 -6.815 -6.468 2.987 1.00 0.00 C ATOM 568 O ASN A 39 -6.298 -7.487 2.534 1.00 0.00 O ATOM 569 CB ASN A 39 -6.823 -4.552 1.421 1.00 0.00 C ATOM 570 CG ASN A 39 -7.635 -3.700 0.443 1.00 0.00 C ATOM 571 OD1 ASN A 39 -7.676 -2.483 0.526 1.00 0.00 O ATOM 572 ND2 ASN A 39 -8.276 -4.404 -0.485 1.00 0.00 N ATOM 0 H ASN A 39 -8.822 -3.951 2.784 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.219 -6.189 1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.361 -3.910 2.171 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.014 -5.052 0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.845 -3.927 -1.184 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.199 -5.421 -0.498 1.00 0.00 H new ATOM 578 N SER A 40 -6.661 -6.039 4.232 1.00 0.00 N ATOM 579 CA SER A 40 -5.838 -6.771 5.179 1.00 0.00 C ATOM 580 C SER A 40 -6.368 -8.197 5.340 1.00 0.00 C ATOM 581 O SER A 40 -5.684 -9.059 5.890 1.00 0.00 O ATOM 582 CB SER A 40 -5.798 -6.064 6.535 1.00 0.00 C ATOM 583 OG SER A 40 -4.528 -6.195 7.169 1.00 0.00 O ATOM 0 H SER A 40 -7.092 -5.194 4.606 1.00 0.00 H new ATOM 0 HA SER A 40 -4.821 -6.810 4.789 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.028 -5.007 6.400 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.571 -6.478 7.183 1.00 0.00 H new ATOM 0 HG SER A 40 -4.543 -5.729 8.031 1.00 0.00 H new ATOM 588 N ALA A 41 -7.582 -8.401 4.849 1.00 0.00 N ATOM 589 CA ALA A 41 -8.211 -9.709 4.931 1.00 0.00 C ATOM 590 C ALA A 41 -7.335 -10.738 4.213 1.00 0.00 C ATOM 591 O ALA A 41 -7.230 -11.882 4.652 1.00 0.00 O ATOM 592 CB ALA A 41 -9.622 -9.634 4.344 1.00 0.00 C ATOM 0 H ALA A 41 -8.146 -7.684 4.394 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.306 -10.025 5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.094 -10.615 4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.212 -8.911 4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.566 -9.323 3.301 1.00 0.00 H new ATOM 598 N LEU A 42 -6.728 -10.294 3.123 1.00 0.00 N ATOM 599 CA LEU A 42 -5.865 -11.162 2.341 1.00 0.00 C ATOM 600 C LEU A 42 -4.406 -10.901 2.721 1.00 0.00 C ATOM 601 O LEU A 42 -3.533 -11.723 2.451 1.00 0.00 O ATOM 602 CB LEU A 42 -6.150 -10.996 0.847 1.00 0.00 C ATOM 603 CG LEU A 42 -7.516 -10.411 0.485 1.00 0.00 C ATOM 604 CD1 LEU A 42 -8.620 -11.019 1.354 1.00 0.00 C ATOM 605 CD2 LEU A 42 -7.498 -8.883 0.569 1.00 0.00 C ATOM 0 H LEU A 42 -6.817 -9.344 2.763 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.072 -12.208 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.378 -10.356 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.057 -11.971 0.369 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.737 -10.674 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.581 -10.586 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.650 -12.098 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.416 -10.806 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.481 -8.493 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.245 -8.577 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.755 -8.489 -0.124 1.00 0.00 H new ATOM 616 N GLY A 43 -4.187 -9.751 3.343 1.00 0.00 N ATOM 617 CA GLY A 43 -2.849 -9.370 3.763 1.00 0.00 C ATOM 618 C GLY A 43 -1.943 -9.129 2.554 1.00 0.00 C ATOM 619 O GLY A 43 -0.873 -9.725 2.447 1.00 0.00 O ATOM 0 H GLY A 43 -4.914 -9.071 3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.898 -8.467 4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.424 -10.154 4.390 1.00 0.00 H new ATOM 623 N HIS A 44 -2.404 -8.251 1.675 1.00 0.00 N ATOM 624 CA HIS A 44 -1.648 -7.923 0.478 1.00 0.00 C ATOM 625 C HIS A 44 -1.729 -6.418 0.216 1.00 0.00 C ATOM 626 O HIS A 44 -1.039 -5.635 0.867 1.00 0.00 O ATOM 627 CB HIS A 44 -2.127 -8.758 -0.713 1.00 0.00 C ATOM 628 CG HIS A 44 -1.511 -10.134 -0.784 1.00 0.00 C ATOM 629 ND1 HIS A 44 -0.239 -10.362 -1.281 1.00 0.00 N ATOM 630 CD2 HIS A 44 -2.004 -11.351 -0.418 1.00 0.00 C ATOM 631 CE1 HIS A 44 0.012 -11.661 -1.212 1.00 0.00 C ATOM 632 NE2 HIS A 44 -1.084 -12.273 -0.678 1.00 0.00 N ATOM 0 H HIS A 44 -3.291 -7.757 1.768 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.598 -8.175 0.627 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.211 -8.859 -0.661 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.901 -8.222 -1.634 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.978 -11.534 0.011 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.924 -12.149 -1.524 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.181 -13.274 -0.507 1.00 0.00 H new ATOM 640 N VAL A 45 -2.575 -6.059 -0.737 1.00 0.00 N ATOM 641 CA VAL A 45 -2.754 -4.662 -1.092 1.00 0.00 C ATOM 642 C VAL A 45 -2.787 -3.817 0.184 1.00 0.00 C ATOM 643 O VAL A 45 -2.310 -2.683 0.193 1.00 0.00 O ATOM 644 CB VAL A 45 -4.010 -4.497 -1.950 1.00 0.00 C ATOM 645 CG1 VAL A 45 -3.734 -4.880 -3.406 1.00 0.00 C ATOM 646 CG2 VAL A 45 -5.175 -5.310 -1.382 1.00 0.00 C ATOM 0 H VAL A 45 -3.145 -6.712 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.916 -4.310 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.294 -3.445 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.643 -4.754 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.950 -4.239 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.413 -5.920 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.054 -5.174 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.905 -6.366 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.397 -4.970 -0.370 1.00 0.00 H new ATOM 656 N ASN A 46 -3.354 -4.401 1.228 1.00 0.00 N ATOM 657 CA ASN A 46 -3.454 -3.716 2.506 1.00 0.00 C ATOM 658 C ASN A 46 -2.115 -3.048 2.828 1.00 0.00 C ATOM 659 O ASN A 46 -2.082 -1.980 3.438 1.00 0.00 O ATOM 660 CB ASN A 46 -3.777 -4.697 3.634 1.00 0.00 C ATOM 661 CG ASN A 46 -4.676 -4.046 4.687 1.00 0.00 C ATOM 662 OD1 ASN A 46 -5.819 -3.700 4.438 1.00 0.00 O ATOM 663 ND2 ASN A 46 -4.096 -3.898 5.875 1.00 0.00 N ATOM 0 H ASN A 46 -3.749 -5.341 1.216 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.253 -2.978 2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.271 -5.578 3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.853 -5.037 4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.612 -3.473 6.645 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.135 -4.210 6.016 1.00 0.00 H new ATOM 669 N CYS A 47 -1.046 -3.706 2.405 1.00 0.00 N ATOM 670 CA CYS A 47 0.292 -3.190 2.641 1.00 0.00 C ATOM 671 C CYS A 47 0.375 -1.781 2.048 1.00 0.00 C ATOM 672 O CYS A 47 0.915 -0.872 2.674 1.00 0.00 O ATOM 673 CB CYS A 47 1.365 -4.115 2.065 1.00 0.00 C ATOM 674 SG CYS A 47 2.204 -5.018 3.418 1.00 0.00 S ATOM 0 H CYS A 47 -1.079 -4.592 1.900 1.00 0.00 H new ATOM 0 HA CYS A 47 0.483 -3.144 3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.912 -4.823 1.370 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.093 -3.533 1.499 1.00 0.00 H new ATOM 0 HG CYS A 47 3.112 -5.803 2.918 1.00 0.00 H new ATOM 679 N THR A 48 -0.169 -1.646 0.847 1.00 0.00 N ATOM 680 CA THR A 48 -0.162 -0.365 0.163 1.00 0.00 C ATOM 681 C THR A 48 -1.132 0.606 0.841 1.00 0.00 C ATOM 682 O THR A 48 -0.869 1.806 0.906 1.00 0.00 O ATOM 683 CB THR A 48 -0.484 -0.615 -1.312 1.00 0.00 C ATOM 684 OG1 THR A 48 0.274 0.373 -2.005 1.00 0.00 O ATOM 685 CG2 THR A 48 -1.937 -0.280 -1.659 1.00 0.00 C ATOM 0 H THR A 48 -0.617 -2.403 0.331 1.00 0.00 H new ATOM 0 HA THR A 48 0.818 0.110 0.221 1.00 0.00 H new ATOM 0 HB THR A 48 -0.283 -1.658 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.126 0.282 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.113 -0.475 -2.717 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.606 -0.898 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.128 0.772 -1.447 1.00 0.00 H new ATOM 693 N ILE A 49 -2.232 0.051 1.328 1.00 0.00 N ATOM 694 CA ILE A 49 -3.241 0.852 1.997 1.00 0.00 C ATOM 695 C ILE A 49 -2.610 1.559 3.198 1.00 0.00 C ATOM 696 O ILE A 49 -2.974 2.691 3.519 1.00 0.00 O ATOM 697 CB ILE A 49 -4.455 -0.006 2.358 1.00 0.00 C ATOM 698 CG1 ILE A 49 -5.422 -0.112 1.177 1.00 0.00 C ATOM 699 CG2 ILE A 49 -5.145 0.520 3.618 1.00 0.00 C ATOM 700 CD1 ILE A 49 -4.668 -0.385 -0.127 1.00 0.00 C ATOM 0 H ILE A 49 -2.446 -0.945 1.272 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.615 1.628 1.329 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.106 -1.014 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.139 -0.912 1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.992 0.813 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.004 -0.109 3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.444 0.500 4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.479 1.544 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.379 -0.456 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.969 0.429 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.119 -1.323 -0.040 1.00 0.00 H new ATOM 711 N LYS A 50 -1.676 0.864 3.830 1.00 0.00 N ATOM 712 CA LYS A 50 -0.991 1.412 4.989 1.00 0.00 C ATOM 713 C LYS A 50 -0.361 2.755 4.617 1.00 0.00 C ATOM 714 O LYS A 50 -0.330 3.677 5.431 1.00 0.00 O ATOM 715 CB LYS A 50 0.009 0.398 5.549 1.00 0.00 C ATOM 716 CG LYS A 50 -0.567 -1.019 5.512 1.00 0.00 C ATOM 717 CD LYS A 50 -0.073 -1.843 6.703 1.00 0.00 C ATOM 718 CE LYS A 50 -0.508 -1.210 8.026 1.00 0.00 C ATOM 719 NZ LYS A 50 0.674 -0.855 8.844 1.00 0.00 N ATOM 0 H LYS A 50 -1.377 -0.074 3.562 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.700 1.605 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.932 0.434 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.265 0.663 6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.656 -0.973 5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.278 -1.509 4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.465 -2.858 6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.014 -1.918 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.104 -0.318 7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.144 -1.904 8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.361 -0.427 9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.227 -1.712 9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.265 -0.176 8.323 1.00 0.00 H new ATOM 729 N GLU A 51 0.124 2.824 3.386 1.00 0.00 N ATOM 730 CA GLU A 51 0.752 4.040 2.896 1.00 0.00 C ATOM 731 C GLU A 51 -0.301 5.127 2.673 1.00 0.00 C ATOM 732 O GLU A 51 -0.029 6.309 2.872 1.00 0.00 O ATOM 733 CB GLU A 51 1.542 3.770 1.613 1.00 0.00 C ATOM 734 CG GLU A 51 1.190 4.789 0.528 1.00 0.00 C ATOM 735 CD GLU A 51 2.160 4.691 -0.651 1.00 0.00 C ATOM 736 OE1 GLU A 51 2.472 3.542 -1.035 1.00 0.00 O ATOM 737 OE2 GLU A 51 2.567 5.766 -1.143 1.00 0.00 O ATOM 0 H GLU A 51 0.095 2.058 2.713 1.00 0.00 H new ATOM 0 HA GLU A 51 1.456 4.392 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.611 3.812 1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.328 2.763 1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.171 4.618 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.220 5.795 0.946 1.00 0.00 H new ATOM 742 N LEU A 52 -1.482 4.688 2.261 1.00 0.00 N ATOM 743 CA LEU A 52 -2.577 5.609 2.008 1.00 0.00 C ATOM 744 C LEU A 52 -2.938 6.334 3.306 1.00 0.00 C ATOM 745 O LEU A 52 -2.918 7.563 3.360 1.00 0.00 O ATOM 746 CB LEU A 52 -3.756 4.876 1.366 1.00 0.00 C ATOM 747 CG LEU A 52 -3.415 3.955 0.192 1.00 0.00 C ATOM 748 CD1 LEU A 52 -4.652 3.189 -0.281 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.758 4.740 -0.945 1.00 0.00 C ATOM 0 H LEU A 52 -1.704 3.706 2.096 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.275 6.371 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.252 4.283 2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.476 5.619 1.022 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.691 3.216 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.382 2.542 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.039 2.583 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.417 3.896 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.525 4.063 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.441 5.514 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.839 5.202 -0.584 1.00 0.00 H new ATOM 760 N ARG A 53 -3.257 5.543 4.321 1.00 0.00 N ATOM 761 CA ARG A 53 -3.620 6.095 5.614 1.00 0.00 C ATOM 762 C ARG A 53 -2.368 6.548 6.369 1.00 0.00 C ATOM 763 O ARG A 53 -2.409 7.524 7.117 1.00 0.00 O ATOM 764 CB ARG A 53 -4.373 5.066 6.459 1.00 0.00 C ATOM 765 CG ARG A 53 -4.729 3.831 5.631 1.00 0.00 C ATOM 766 CD ARG A 53 -5.897 3.067 6.260 1.00 0.00 C ATOM 767 NE ARG A 53 -6.309 3.721 7.522 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.600 3.676 8.658 1.00 0.00 C ATOM 769 NH1 ARG A 53 -4.440 3.006 8.697 1.00 0.00 N ATOM 770 NH2 ARG A 53 -6.051 4.299 9.755 1.00 0.00 N ATOM 0 H ARG A 53 -3.271 4.524 4.273 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.271 6.951 5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.761 4.772 7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.282 5.514 6.859 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.991 4.132 4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.860 3.177 5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.737 3.035 5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.605 2.035 6.454 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.188 4.239 7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.097 2.531 7.862 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.900 2.971 9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.935 4.808 9.726 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.511 4.264 10.620 1.00 0.00 H new ATOM 781 N ARG A 54 -1.286 5.818 6.147 1.00 0.00 N ATOM 782 CA ARG A 54 -0.024 6.131 6.796 1.00 0.00 C ATOM 783 C ARG A 54 -0.258 6.479 8.268 1.00 0.00 C ATOM 784 O ARG A 54 0.375 5.906 9.153 1.00 0.00 O ATOM 785 CB ARG A 54 0.673 7.306 6.106 1.00 0.00 C ATOM 786 CG ARG A 54 2.069 7.532 6.688 1.00 0.00 C ATOM 787 CD ARG A 54 3.144 7.387 5.609 1.00 0.00 C ATOM 788 NE ARG A 54 4.444 7.878 6.118 1.00 0.00 N ATOM 789 CZ ARG A 54 4.726 9.169 6.335 1.00 0.00 C ATOM 790 NH1 ARG A 54 3.802 10.108 6.088 1.00 0.00 N ATOM 791 NH2 ARG A 54 5.932 9.523 6.800 1.00 0.00 N ATOM 0 H ARG A 54 -1.257 5.009 5.526 1.00 0.00 H new ATOM 0 HA ARG A 54 0.615 5.251 6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.748 7.112 5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.075 8.209 6.225 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.125 8.526 7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.253 6.815 7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.232 6.342 5.311 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.857 7.949 4.720 1.00 0.00 H new ATOM 0 HE ARG A 54 5.171 7.190 6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.884 9.839 5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.017 11.091 6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.636 8.809 6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.146 10.506 6.965 1.00 0.00 H new TER 802 ARG A 54