USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 603 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 46 LYS NZ :NH3+ 166:sc= 0.404 (180deg=-0.632) USER MOD Set 1.2: A 66 THR OG1 : rot 155:sc= 0.598 USER MOD Set 2.1: A 7 ASN : amide:sc=-0.00846 K(o=0.092,f=-0.45) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.101 K(o=0.092,f=-0.45) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 0.0778 (180deg=0.064) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -157:sc= 0.967 USER MOD Single : A 23 SER OG : rot -116:sc= 0.376 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -140:sc= -0.254 USER MOD Single : A 34 GLN : amide:sc= 0.0697 X(o=0.07,f=0.29) USER MOD Single : A 37 THR OG1 : rot -154:sc= -1.38 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 56 SER OG : rot -120:sc= 0.0128 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.686 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 15:sc= -0.471 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.846 6.394 6.761 1.00 0.76 N ATOM 2 CA MET A 1 9.908 5.239 6.630 1.00 0.54 C ATOM 3 C MET A 1 8.479 5.692 6.956 1.00 0.50 C ATOM 4 O MET A 1 8.250 6.430 7.899 1.00 0.67 O ATOM 5 CB MET A 1 10.324 4.127 7.600 1.00 0.82 C ATOM 6 CG MET A 1 10.137 2.763 6.930 1.00 1.03 C ATOM 7 SD MET A 1 11.716 1.877 6.914 1.00 1.33 S ATOM 8 CE MET A 1 11.450 0.969 5.373 1.00 1.46 C ATOM 0 H1 MET A 1 11.813 6.083 6.539 1.00 0.76 H new ATOM 0 H2 MET A 1 10.565 7.146 6.101 1.00 0.76 H new ATOM 0 H3 MET A 1 10.814 6.758 7.735 1.00 0.76 H new ATOM 0 HA MET A 1 9.943 4.863 5.608 1.00 0.54 H new ATOM 0 HB2 MET A 1 11.365 4.259 7.895 1.00 0.82 H new ATOM 0 HB3 MET A 1 9.726 4.182 8.510 1.00 0.82 H new ATOM 0 HG2 MET A 1 9.387 2.182 7.467 1.00 1.03 H new ATOM 0 HG3 MET A 1 9.770 2.893 5.912 1.00 1.03 H new ATOM 0 HE1 MET A 1 12.319 0.345 5.164 1.00 1.46 H new ATOM 0 HE2 MET A 1 10.565 0.340 5.470 1.00 1.46 H new ATOM 0 HE3 MET A 1 11.305 1.675 4.555 1.00 1.46 H new ATOM 18 N ILE A 2 7.518 5.250 6.179 1.00 0.36 N ATOM 19 CA ILE A 2 6.095 5.642 6.428 1.00 0.35 C ATOM 20 C ILE A 2 5.219 4.388 6.536 1.00 0.33 C ATOM 21 O ILE A 2 5.594 3.316 6.096 1.00 0.35 O ATOM 22 CB ILE A 2 5.586 6.524 5.279 1.00 0.37 C ATOM 23 CG1 ILE A 2 5.776 5.802 3.938 1.00 0.35 C ATOM 24 CG2 ILE A 2 6.365 7.842 5.259 1.00 0.44 C ATOM 25 CD1 ILE A 2 4.779 6.350 2.915 1.00 0.45 C ATOM 0 H ILE A 2 7.660 4.632 5.380 1.00 0.36 H new ATOM 0 HA ILE A 2 6.042 6.201 7.362 1.00 0.35 H new ATOM 0 HB ILE A 2 4.526 6.726 5.431 1.00 0.37 H new ATOM 0 HG12 ILE A 2 6.795 5.943 3.579 1.00 0.35 H new ATOM 0 HG13 ILE A 2 5.628 4.730 4.067 1.00 0.35 H new ATOM 0 HG21 ILE A 2 6.002 8.467 4.443 1.00 0.44 H new ATOM 0 HG22 ILE A 2 6.223 8.363 6.206 1.00 0.44 H new ATOM 0 HG23 ILE A 2 7.425 7.636 5.114 1.00 0.44 H new ATOM 0 HD11 ILE A 2 4.915 5.836 1.963 1.00 0.45 H new ATOM 0 HD12 ILE A 2 3.763 6.186 3.274 1.00 0.45 H new ATOM 0 HD13 ILE A 2 4.948 7.418 2.778 1.00 0.45 H new ATOM 37 N GLU A 3 4.049 4.523 7.114 1.00 0.35 N ATOM 38 CA GLU A 3 3.129 3.355 7.256 1.00 0.35 C ATOM 39 C GLU A 3 1.829 3.645 6.500 1.00 0.34 C ATOM 40 O GLU A 3 1.083 4.540 6.856 1.00 0.43 O ATOM 41 CB GLU A 3 2.820 3.120 8.741 1.00 0.42 C ATOM 42 CG GLU A 3 2.817 1.616 9.039 1.00 0.52 C ATOM 43 CD GLU A 3 1.565 0.966 8.436 1.00 0.54 C ATOM 44 OE1 GLU A 3 0.502 1.115 9.019 1.00 0.84 O ATOM 45 OE2 GLU A 3 1.691 0.327 7.403 1.00 0.54 O ATOM 0 H GLU A 3 3.692 5.399 7.495 1.00 0.35 H new ATOM 0 HA GLU A 3 3.602 2.464 6.843 1.00 0.35 H new ATOM 0 HB2 GLU A 3 3.564 3.621 9.360 1.00 0.42 H new ATOM 0 HB3 GLU A 3 1.852 3.552 8.993 1.00 0.42 H new ATOM 0 HG2 GLU A 3 3.713 1.153 8.625 1.00 0.52 H new ATOM 0 HG3 GLU A 3 2.841 1.450 10.116 1.00 0.52 H new ATOM 52 N VAL A 4 1.560 2.901 5.455 1.00 0.30 N ATOM 53 CA VAL A 4 0.310 3.135 4.665 1.00 0.31 C ATOM 54 C VAL A 4 -0.620 1.922 4.801 1.00 0.31 C ATOM 55 O VAL A 4 -0.176 0.803 4.997 1.00 0.40 O ATOM 56 CB VAL A 4 0.661 3.369 3.182 1.00 0.35 C ATOM 57 CG1 VAL A 4 1.844 4.339 3.069 1.00 0.42 C ATOM 58 CG2 VAL A 4 1.030 2.042 2.513 1.00 0.46 C ATOM 0 H VAL A 4 2.151 2.142 5.115 1.00 0.30 H new ATOM 0 HA VAL A 4 -0.198 4.019 5.049 1.00 0.31 H new ATOM 0 HB VAL A 4 -0.208 3.797 2.682 1.00 0.35 H new ATOM 0 HG11 VAL A 4 2.085 4.498 2.018 1.00 0.42 H new ATOM 0 HG12 VAL A 4 1.579 5.291 3.529 1.00 0.42 H new ATOM 0 HG13 VAL A 4 2.710 3.918 3.580 1.00 0.42 H new ATOM 0 HG21 VAL A 4 1.276 2.218 1.466 1.00 0.46 H new ATOM 0 HG22 VAL A 4 1.891 1.606 3.020 1.00 0.46 H new ATOM 0 HG23 VAL A 4 0.186 1.355 2.576 1.00 0.46 H new ATOM 68 N VAL A 5 -1.909 2.140 4.691 1.00 0.30 N ATOM 69 CA VAL A 5 -2.883 1.009 4.807 1.00 0.33 C ATOM 70 C VAL A 5 -3.482 0.709 3.429 1.00 0.30 C ATOM 71 O VAL A 5 -3.765 1.607 2.655 1.00 0.44 O ATOM 72 CB VAL A 5 -4.004 1.378 5.792 1.00 0.41 C ATOM 73 CG1 VAL A 5 -3.427 1.495 7.205 1.00 0.55 C ATOM 74 CG2 VAL A 5 -4.641 2.715 5.390 1.00 0.49 C ATOM 0 H VAL A 5 -2.329 3.055 4.526 1.00 0.30 H new ATOM 0 HA VAL A 5 -2.364 0.125 5.178 1.00 0.33 H new ATOM 0 HB VAL A 5 -4.765 0.598 5.770 1.00 0.41 H new ATOM 0 HG11 VAL A 5 -4.223 1.757 7.902 1.00 0.55 H new ATOM 0 HG12 VAL A 5 -2.986 0.542 7.498 1.00 0.55 H new ATOM 0 HG13 VAL A 5 -2.660 2.270 7.222 1.00 0.55 H new ATOM 0 HG21 VAL A 5 -5.434 2.967 6.094 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -3.883 3.498 5.402 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -5.060 2.632 4.387 1.00 0.49 H new ATOM 84 N VAL A 6 -3.672 -0.550 3.117 1.00 0.26 N ATOM 85 CA VAL A 6 -4.250 -0.923 1.790 1.00 0.30 C ATOM 86 C VAL A 6 -5.537 -1.727 2.010 1.00 0.29 C ATOM 87 O VAL A 6 -5.545 -2.720 2.717 1.00 0.45 O ATOM 88 CB VAL A 6 -3.242 -1.764 0.992 1.00 0.41 C ATOM 89 CG1 VAL A 6 -3.583 -1.684 -0.498 1.00 0.60 C ATOM 90 CG2 VAL A 6 -1.822 -1.225 1.210 1.00 0.43 C ATOM 0 H VAL A 6 -3.451 -1.337 3.727 1.00 0.26 H new ATOM 0 HA VAL A 6 -4.474 -0.017 1.226 1.00 0.30 H new ATOM 0 HB VAL A 6 -3.293 -2.799 1.331 1.00 0.41 H new ATOM 0 HG11 VAL A 6 -2.869 -2.280 -1.067 1.00 0.60 H new ATOM 0 HG12 VAL A 6 -4.589 -2.069 -0.662 1.00 0.60 H new ATOM 0 HG13 VAL A 6 -3.533 -0.646 -0.827 1.00 0.60 H new ATOM 0 HG21 VAL A 6 -1.113 -1.827 0.641 1.00 0.43 H new ATOM 0 HG22 VAL A 6 -1.770 -0.189 0.874 1.00 0.43 H new ATOM 0 HG23 VAL A 6 -1.572 -1.276 2.270 1.00 0.43 H new ATOM 100 N ASN A 7 -6.623 -1.299 1.411 1.00 0.28 N ATOM 101 CA ASN A 7 -7.923 -2.023 1.581 1.00 0.30 C ATOM 102 C ASN A 7 -8.420 -2.510 0.216 1.00 0.29 C ATOM 103 O ASN A 7 -8.688 -1.725 -0.675 1.00 0.35 O ATOM 104 CB ASN A 7 -8.978 -1.097 2.215 1.00 0.35 C ATOM 105 CG ASN A 7 -8.617 0.375 1.983 1.00 0.75 C ATOM 106 OD1 ASN A 7 -9.043 0.972 1.014 1.00 1.27 O ATOM 107 ND2 ASN A 7 -7.844 0.990 2.839 1.00 1.05 N ATOM 0 H ASN A 7 -6.665 -0.476 0.809 1.00 0.28 H new ATOM 0 HA ASN A 7 -7.766 -2.876 2.241 1.00 0.30 H new ATOM 0 HB2 ASN A 7 -9.958 -1.308 1.787 1.00 0.35 H new ATOM 0 HB3 ASN A 7 -9.047 -1.295 3.285 1.00 0.35 H new ATOM 0 HD21 ASN A 7 -7.599 1.969 2.693 1.00 1.05 H new ATOM 0 HD22 ASN A 7 -7.486 0.491 3.653 1.00 1.05 H new ATOM 114 N ASP A 8 -8.542 -3.807 0.054 1.00 0.30 N ATOM 115 CA ASP A 8 -9.019 -4.374 -1.245 1.00 0.31 C ATOM 116 C ASP A 8 -10.546 -4.275 -1.322 1.00 0.35 C ATOM 117 O ASP A 8 -11.241 -4.481 -0.340 1.00 0.43 O ATOM 118 CB ASP A 8 -8.593 -5.848 -1.347 1.00 0.35 C ATOM 119 CG ASP A 8 -8.524 -6.276 -2.818 1.00 0.39 C ATOM 120 OD1 ASP A 8 -9.570 -6.522 -3.397 1.00 0.58 O ATOM 121 OD2 ASP A 8 -7.425 -6.362 -3.340 1.00 0.38 O ATOM 0 H ASP A 8 -8.330 -4.500 0.772 1.00 0.30 H new ATOM 0 HA ASP A 8 -8.580 -3.810 -2.068 1.00 0.31 H new ATOM 0 HB2 ASP A 8 -7.621 -5.987 -0.874 1.00 0.35 H new ATOM 0 HB3 ASP A 8 -9.302 -6.478 -0.810 1.00 0.35 H new ATOM 126 N ARG A 9 -11.070 -3.966 -2.486 1.00 0.41 N ATOM 127 CA ARG A 9 -12.554 -3.854 -2.648 1.00 0.48 C ATOM 128 C ARG A 9 -13.206 -5.222 -2.417 1.00 0.48 C ATOM 129 O ARG A 9 -14.303 -5.307 -1.895 1.00 0.59 O ATOM 130 CB ARG A 9 -12.885 -3.358 -4.059 1.00 0.56 C ATOM 131 CG ARG A 9 -14.079 -2.399 -4.001 1.00 0.68 C ATOM 132 CD ARG A 9 -13.584 -0.982 -3.707 1.00 0.77 C ATOM 133 NE ARG A 9 -13.661 -0.719 -2.240 1.00 0.84 N ATOM 134 CZ ARG A 9 -12.710 -0.048 -1.643 1.00 1.03 C ATOM 135 NH1 ARG A 9 -12.627 1.248 -1.802 1.00 1.23 N ATOM 136 NH2 ARG A 9 -11.846 -0.674 -0.885 1.00 1.42 N ATOM 0 H ARG A 9 -10.531 -3.786 -3.333 1.00 0.41 H new ATOM 0 HA ARG A 9 -12.940 -3.144 -1.917 1.00 0.48 H new ATOM 0 HB2 ARG A 9 -12.021 -2.853 -4.490 1.00 0.56 H new ATOM 0 HB3 ARG A 9 -13.116 -4.203 -4.707 1.00 0.56 H new ATOM 0 HG2 ARG A 9 -14.620 -2.417 -4.947 1.00 0.68 H new ATOM 0 HG3 ARG A 9 -14.778 -2.719 -3.228 1.00 0.68 H new ATOM 0 HD2 ARG A 9 -12.557 -0.865 -4.054 1.00 0.77 H new ATOM 0 HD3 ARG A 9 -14.189 -0.255 -4.249 1.00 0.77 H new ATOM 0 HE ARG A 9 -14.456 -1.063 -1.702 1.00 0.84 H new ATOM 0 HH11 ARG A 9 -13.303 1.734 -2.391 1.00 1.23 H new ATOM 0 HH12 ARG A 9 -11.886 1.772 -1.337 1.00 1.23 H new ATOM 0 HH21 ARG A 9 -11.915 -1.684 -0.760 1.00 1.42 H new ATOM 0 HH22 ARG A 9 -11.104 -0.152 -0.419 1.00 1.42 H new ATOM 150 N LEU A 10 -12.536 -6.291 -2.792 1.00 0.46 N ATOM 151 CA LEU A 10 -13.109 -7.656 -2.584 1.00 0.53 C ATOM 152 C LEU A 10 -13.254 -7.920 -1.078 1.00 0.56 C ATOM 153 O LEU A 10 -14.283 -8.385 -0.623 1.00 0.69 O ATOM 154 CB LEU A 10 -12.176 -8.707 -3.196 1.00 0.56 C ATOM 155 CG LEU A 10 -12.484 -8.864 -4.686 1.00 0.97 C ATOM 156 CD1 LEU A 10 -11.173 -8.973 -5.468 1.00 1.20 C ATOM 157 CD2 LEU A 10 -13.314 -10.132 -4.901 1.00 1.56 C ATOM 0 H LEU A 10 -11.617 -6.272 -3.233 1.00 0.46 H new ATOM 0 HA LEU A 10 -14.085 -7.716 -3.065 1.00 0.53 H new ATOM 0 HB2 LEU A 10 -11.137 -8.409 -3.059 1.00 0.56 H new ATOM 0 HB3 LEU A 10 -12.303 -9.662 -2.686 1.00 0.56 H new ATOM 0 HG LEU A 10 -13.045 -7.998 -5.037 1.00 0.97 H new ATOM 0 HD11 LEU A 10 -11.391 -9.085 -6.530 1.00 1.20 H new ATOM 0 HD12 LEU A 10 -10.580 -8.071 -5.312 1.00 1.20 H new ATOM 0 HD13 LEU A 10 -10.612 -9.840 -5.119 1.00 1.20 H new ATOM 0 HD21 LEU A 10 -13.535 -10.247 -5.962 1.00 1.56 H new ATOM 0 HD22 LEU A 10 -12.752 -10.998 -4.552 1.00 1.56 H new ATOM 0 HD23 LEU A 10 -14.247 -10.055 -4.342 1.00 1.56 H new ATOM 169 N GLY A 11 -12.231 -7.617 -0.306 1.00 0.54 N ATOM 170 CA GLY A 11 -12.303 -7.839 1.172 1.00 0.61 C ATOM 171 C GLY A 11 -10.920 -8.224 1.713 1.00 0.58 C ATOM 172 O GLY A 11 -10.725 -9.322 2.202 1.00 0.73 O ATOM 0 H GLY A 11 -11.350 -7.225 -0.640 1.00 0.54 H new ATOM 0 HA2 GLY A 11 -12.657 -6.935 1.667 1.00 0.61 H new ATOM 0 HA3 GLY A 11 -13.022 -8.627 1.395 1.00 0.61 H new ATOM 176 N LYS A 12 -9.964 -7.325 1.633 1.00 0.44 N ATOM 177 CA LYS A 12 -8.591 -7.632 2.146 1.00 0.42 C ATOM 178 C LYS A 12 -7.942 -6.350 2.681 1.00 0.36 C ATOM 179 O LYS A 12 -7.449 -5.528 1.928 1.00 0.41 O ATOM 180 CB LYS A 12 -7.734 -8.213 1.014 1.00 0.45 C ATOM 181 CG LYS A 12 -6.833 -9.322 1.569 1.00 0.84 C ATOM 182 CD LYS A 12 -7.683 -10.548 1.923 1.00 1.14 C ATOM 183 CE LYS A 12 -7.106 -11.797 1.244 1.00 1.90 C ATOM 184 NZ LYS A 12 -8.212 -12.607 0.649 1.00 2.78 N ATOM 0 H LYS A 12 -10.077 -6.393 1.234 1.00 0.44 H new ATOM 0 HA LYS A 12 -8.663 -8.362 2.952 1.00 0.42 H new ATOM 0 HB2 LYS A 12 -8.374 -8.611 0.227 1.00 0.45 H new ATOM 0 HB3 LYS A 12 -7.126 -7.428 0.564 1.00 0.45 H new ATOM 0 HG2 LYS A 12 -6.076 -9.592 0.832 1.00 0.84 H new ATOM 0 HG3 LYS A 12 -6.304 -8.966 2.453 1.00 0.84 H new ATOM 0 HD2 LYS A 12 -7.703 -10.688 3.004 1.00 1.14 H new ATOM 0 HD3 LYS A 12 -8.713 -10.392 1.602 1.00 1.14 H new ATOM 0 HE2 LYS A 12 -6.398 -11.506 0.468 1.00 1.90 H new ATOM 0 HE3 LYS A 12 -6.555 -12.395 1.970 1.00 1.90 H new ATOM 0 HZ1 LYS A 12 -7.815 -13.452 0.190 1.00 2.78 H new ATOM 0 HZ2 LYS A 12 -8.872 -12.897 1.399 1.00 2.78 H new ATOM 0 HZ3 LYS A 12 -8.720 -12.036 -0.057 1.00 2.78 H new ATOM 198 N LYS A 13 -7.940 -6.179 3.981 1.00 0.34 N ATOM 199 CA LYS A 13 -7.328 -4.960 4.587 1.00 0.33 C ATOM 200 C LYS A 13 -5.939 -5.313 5.139 1.00 0.30 C ATOM 201 O LYS A 13 -5.809 -5.882 6.209 1.00 0.37 O ATOM 202 CB LYS A 13 -8.234 -4.446 5.714 1.00 0.43 C ATOM 203 CG LYS A 13 -9.150 -3.344 5.172 1.00 0.48 C ATOM 204 CD LYS A 13 -10.523 -3.933 4.830 1.00 0.54 C ATOM 205 CE LYS A 13 -10.569 -4.295 3.341 1.00 0.86 C ATOM 206 NZ LYS A 13 -11.942 -4.064 2.805 1.00 0.91 N ATOM 0 H LYS A 13 -8.339 -6.837 4.650 1.00 0.34 H new ATOM 0 HA LYS A 13 -7.223 -4.180 3.833 1.00 0.33 H new ATOM 0 HB2 LYS A 13 -8.831 -5.264 6.117 1.00 0.43 H new ATOM 0 HB3 LYS A 13 -7.629 -4.060 6.534 1.00 0.43 H new ATOM 0 HG2 LYS A 13 -9.258 -2.551 5.912 1.00 0.48 H new ATOM 0 HG3 LYS A 13 -8.706 -2.893 4.285 1.00 0.48 H new ATOM 0 HD2 LYS A 13 -10.711 -4.819 5.436 1.00 0.54 H new ATOM 0 HD3 LYS A 13 -11.308 -3.214 5.064 1.00 0.54 H new ATOM 0 HE2 LYS A 13 -9.847 -3.693 2.789 1.00 0.86 H new ATOM 0 HE3 LYS A 13 -10.286 -5.338 3.202 1.00 0.86 H new ATOM 0 HZ1 LYS A 13 -11.928 -4.147 1.768 1.00 0.91 H new ATOM 0 HZ2 LYS A 13 -12.593 -4.772 3.200 1.00 0.91 H new ATOM 0 HZ3 LYS A 13 -12.263 -3.112 3.072 1.00 0.91 H new ATOM 220 N VAL A 14 -4.901 -4.982 4.405 1.00 0.28 N ATOM 221 CA VAL A 14 -3.511 -5.295 4.864 1.00 0.29 C ATOM 222 C VAL A 14 -2.696 -3.997 4.964 1.00 0.28 C ATOM 223 O VAL A 14 -2.803 -3.119 4.126 1.00 0.38 O ATOM 224 CB VAL A 14 -2.844 -6.256 3.868 1.00 0.35 C ATOM 225 CG1 VAL A 14 -1.489 -6.711 4.420 1.00 0.55 C ATOM 226 CG2 VAL A 14 -3.740 -7.482 3.662 1.00 0.45 C ATOM 0 H VAL A 14 -4.959 -4.507 3.504 1.00 0.28 H new ATOM 0 HA VAL A 14 -3.551 -5.768 5.845 1.00 0.29 H new ATOM 0 HB VAL A 14 -2.698 -5.743 2.917 1.00 0.35 H new ATOM 0 HG11 VAL A 14 -1.018 -7.393 3.712 1.00 0.55 H new ATOM 0 HG12 VAL A 14 -0.847 -5.843 4.570 1.00 0.55 H new ATOM 0 HG13 VAL A 14 -1.637 -7.222 5.372 1.00 0.55 H new ATOM 0 HG21 VAL A 14 -3.267 -8.164 2.955 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -3.886 -7.991 4.615 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -4.706 -7.165 3.269 1.00 0.45 H new ATOM 236 N ARG A 15 -1.878 -3.877 5.985 1.00 0.27 N ATOM 237 CA ARG A 15 -1.046 -2.647 6.158 1.00 0.30 C ATOM 238 C ARG A 15 0.394 -2.938 5.716 1.00 0.27 C ATOM 239 O ARG A 15 0.878 -4.051 5.839 1.00 0.40 O ATOM 240 CB ARG A 15 -1.069 -2.207 7.630 1.00 0.40 C ATOM 241 CG ARG A 15 -0.482 -3.304 8.529 1.00 0.46 C ATOM 242 CD ARG A 15 0.659 -2.723 9.370 1.00 0.69 C ATOM 243 NE ARG A 15 1.857 -3.604 9.267 1.00 0.81 N ATOM 244 CZ ARG A 15 3.004 -3.108 8.890 1.00 0.81 C ATOM 245 NH1 ARG A 15 3.722 -2.413 9.732 1.00 1.36 N ATOM 246 NH2 ARG A 15 3.434 -3.317 7.674 1.00 1.25 N ATOM 0 H ARG A 15 -1.752 -4.584 6.709 1.00 0.27 H new ATOM 0 HA ARG A 15 -1.453 -1.843 5.544 1.00 0.30 H new ATOM 0 HB2 ARG A 15 -0.498 -1.287 7.749 1.00 0.40 H new ATOM 0 HB3 ARG A 15 -2.093 -1.988 7.934 1.00 0.40 H new ATOM 0 HG2 ARG A 15 -1.257 -3.709 9.180 1.00 0.46 H new ATOM 0 HG3 ARG A 15 -0.114 -4.130 7.920 1.00 0.46 H new ATOM 0 HD2 ARG A 15 0.903 -1.718 9.025 1.00 0.69 H new ATOM 0 HD3 ARG A 15 0.348 -2.635 10.411 1.00 0.69 H new ATOM 0 HE ARG A 15 1.780 -4.596 9.491 1.00 0.81 H new ATOM 0 HH11 ARG A 15 3.386 -2.259 10.683 1.00 1.36 H new ATOM 0 HH12 ARG A 15 4.618 -2.025 9.439 1.00 1.36 H new ATOM 0 HH21 ARG A 15 2.874 -3.866 7.022 1.00 1.25 H new ATOM 0 HH22 ARG A 15 4.330 -2.931 7.376 1.00 1.25 H new ATOM 260 N VAL A 16 1.077 -1.948 5.194 1.00 0.26 N ATOM 261 CA VAL A 16 2.481 -2.161 4.728 1.00 0.26 C ATOM 262 C VAL A 16 3.265 -0.842 4.819 1.00 0.26 C ATOM 263 O VAL A 16 2.739 0.222 4.545 1.00 0.30 O ATOM 264 CB VAL A 16 2.451 -2.675 3.279 1.00 0.30 C ATOM 265 CG1 VAL A 16 1.943 -1.579 2.335 1.00 0.40 C ATOM 266 CG2 VAL A 16 3.860 -3.098 2.851 1.00 0.41 C ATOM 0 H VAL A 16 0.721 -1.000 5.071 1.00 0.26 H new ATOM 0 HA VAL A 16 2.977 -2.898 5.360 1.00 0.26 H new ATOM 0 HB VAL A 16 1.778 -3.531 3.227 1.00 0.30 H new ATOM 0 HG11 VAL A 16 1.927 -1.958 1.313 1.00 0.40 H new ATOM 0 HG12 VAL A 16 0.935 -1.284 2.628 1.00 0.40 H new ATOM 0 HG13 VAL A 16 2.605 -0.715 2.392 1.00 0.40 H new ATOM 0 HG21 VAL A 16 3.834 -3.462 1.824 1.00 0.41 H new ATOM 0 HG22 VAL A 16 4.532 -2.243 2.917 1.00 0.41 H new ATOM 0 HG23 VAL A 16 4.217 -3.891 3.508 1.00 0.41 H new ATOM 276 N LYS A 17 4.515 -0.908 5.213 1.00 0.31 N ATOM 277 CA LYS A 17 5.337 0.336 5.333 1.00 0.34 C ATOM 278 C LYS A 17 6.248 0.491 4.105 1.00 0.33 C ATOM 279 O LYS A 17 6.625 -0.477 3.468 1.00 0.47 O ATOM 280 CB LYS A 17 6.181 0.278 6.617 1.00 0.46 C ATOM 281 CG LYS A 17 7.249 -0.819 6.514 1.00 0.56 C ATOM 282 CD LYS A 17 8.222 -0.700 7.691 1.00 1.16 C ATOM 283 CE LYS A 17 9.009 -2.004 7.842 1.00 2.00 C ATOM 284 NZ LYS A 17 8.659 -2.653 9.138 1.00 2.90 N ATOM 0 H LYS A 17 5.001 -1.771 5.457 1.00 0.31 H new ATOM 0 HA LYS A 17 4.672 1.199 5.383 1.00 0.34 H new ATOM 0 HB2 LYS A 17 6.659 1.243 6.788 1.00 0.46 H new ATOM 0 HB3 LYS A 17 5.536 0.085 7.474 1.00 0.46 H new ATOM 0 HG2 LYS A 17 6.777 -1.802 6.517 1.00 0.56 H new ATOM 0 HG3 LYS A 17 7.789 -0.728 5.572 1.00 0.56 H new ATOM 0 HD2 LYS A 17 8.906 0.132 7.527 1.00 1.16 H new ATOM 0 HD3 LYS A 17 7.674 -0.486 8.609 1.00 1.16 H new ATOM 0 HE2 LYS A 17 8.781 -2.676 7.014 1.00 2.00 H new ATOM 0 HE3 LYS A 17 10.079 -1.801 7.803 1.00 2.00 H new ATOM 0 HZ1 LYS A 17 9.195 -3.539 9.239 1.00 2.90 H new ATOM 0 HZ2 LYS A 17 8.898 -2.013 9.922 1.00 2.90 H new ATOM 0 HZ3 LYS A 17 7.640 -2.861 9.158 1.00 2.90 H new ATOM 298 N CYS A 18 6.598 1.715 3.778 1.00 0.29 N ATOM 299 CA CYS A 18 7.484 1.979 2.597 1.00 0.35 C ATOM 300 C CYS A 18 8.059 3.405 2.707 1.00 0.30 C ATOM 301 O CYS A 18 8.193 3.940 3.793 1.00 0.34 O ATOM 302 CB CYS A 18 6.662 1.841 1.306 1.00 0.43 C ATOM 303 SG CYS A 18 5.265 2.992 1.349 1.00 0.48 S ATOM 0 H CYS A 18 6.304 2.550 4.285 1.00 0.29 H new ATOM 0 HA CYS A 18 8.304 1.261 2.577 1.00 0.35 H new ATOM 0 HB2 CYS A 18 7.290 2.048 0.439 1.00 0.43 H new ATOM 0 HB3 CYS A 18 6.300 0.818 1.201 1.00 0.43 H new ATOM 0 HG CYS A 18 4.333 2.573 0.546 1.00 0.48 H new ATOM 309 N LEU A 19 8.400 4.024 1.595 1.00 0.34 N ATOM 310 CA LEU A 19 8.958 5.410 1.635 1.00 0.31 C ATOM 311 C LEU A 19 8.296 6.257 0.541 1.00 0.30 C ATOM 312 O LEU A 19 7.903 5.748 -0.495 1.00 0.33 O ATOM 313 CB LEU A 19 10.471 5.361 1.393 1.00 0.36 C ATOM 314 CG LEU A 19 11.196 5.016 2.697 1.00 0.56 C ATOM 315 CD1 LEU A 19 12.067 3.775 2.485 1.00 1.06 C ATOM 316 CD2 LEU A 19 12.080 6.192 3.116 1.00 1.00 C ATOM 0 H LEU A 19 8.313 3.623 0.661 1.00 0.34 H new ATOM 0 HA LEU A 19 8.760 5.853 2.611 1.00 0.31 H new ATOM 0 HB2 LEU A 19 10.702 4.617 0.630 1.00 0.36 H new ATOM 0 HB3 LEU A 19 10.819 6.323 1.016 1.00 0.36 H new ATOM 0 HG LEU A 19 10.462 4.816 3.478 1.00 0.56 H new ATOM 0 HD11 LEU A 19 12.583 3.530 3.413 1.00 1.06 H new ATOM 0 HD12 LEU A 19 11.438 2.936 2.187 1.00 1.06 H new ATOM 0 HD13 LEU A 19 12.801 3.975 1.704 1.00 1.06 H new ATOM 0 HD21 LEU A 19 12.596 5.947 4.044 1.00 1.00 H new ATOM 0 HD22 LEU A 19 12.813 6.392 2.335 1.00 1.00 H new ATOM 0 HD23 LEU A 19 11.461 7.076 3.268 1.00 1.00 H new ATOM 328 N ALA A 20 8.181 7.548 0.758 1.00 0.31 N ATOM 329 CA ALA A 20 7.555 8.437 -0.273 1.00 0.36 C ATOM 330 C ALA A 20 8.374 8.367 -1.570 1.00 0.37 C ATOM 331 O ALA A 20 7.836 8.461 -2.658 1.00 0.43 O ATOM 332 CB ALA A 20 7.527 9.881 0.241 1.00 0.42 C ATOM 0 H ALA A 20 8.494 8.023 1.605 1.00 0.31 H new ATOM 0 HA ALA A 20 6.535 8.106 -0.468 1.00 0.36 H new ATOM 0 HB1 ALA A 20 7.071 10.526 -0.510 1.00 0.42 H new ATOM 0 HB2 ALA A 20 6.945 9.928 1.161 1.00 0.42 H new ATOM 0 HB3 ALA A 20 8.545 10.217 0.438 1.00 0.42 H new ATOM 338 N GLU A 21 9.671 8.186 -1.455 1.00 0.36 N ATOM 339 CA GLU A 21 10.545 8.089 -2.667 1.00 0.42 C ATOM 340 C GLU A 21 10.468 6.669 -3.252 1.00 0.38 C ATOM 341 O GLU A 21 10.814 6.449 -4.399 1.00 0.42 O ATOM 342 CB GLU A 21 11.997 8.408 -2.285 1.00 0.51 C ATOM 343 CG GLU A 21 12.474 7.453 -1.181 1.00 0.53 C ATOM 344 CD GLU A 21 12.729 8.239 0.110 1.00 0.63 C ATOM 345 OE1 GLU A 21 11.770 8.511 0.815 1.00 0.65 O ATOM 346 OE2 GLU A 21 13.878 8.553 0.372 1.00 0.87 O ATOM 0 H GLU A 21 10.163 8.101 -0.566 1.00 0.36 H new ATOM 0 HA GLU A 21 10.201 8.805 -3.413 1.00 0.42 H new ATOM 0 HB2 GLU A 21 12.640 8.315 -3.160 1.00 0.51 H new ATOM 0 HB3 GLU A 21 12.073 9.440 -1.942 1.00 0.51 H new ATOM 0 HG2 GLU A 21 11.724 6.681 -1.006 1.00 0.53 H new ATOM 0 HG3 GLU A 21 13.386 6.946 -1.495 1.00 0.53 H new ATOM 353 N ASP A 22 10.016 5.708 -2.471 1.00 0.34 N ATOM 354 CA ASP A 22 9.907 4.301 -2.968 1.00 0.34 C ATOM 355 C ASP A 22 8.953 4.259 -4.171 1.00 0.30 C ATOM 356 O ASP A 22 8.000 5.013 -4.242 1.00 0.33 O ATOM 357 CB ASP A 22 9.366 3.407 -1.842 1.00 0.34 C ATOM 358 CG ASP A 22 9.407 1.935 -2.269 1.00 0.39 C ATOM 359 OD1 ASP A 22 10.490 1.371 -2.286 1.00 0.55 O ATOM 360 OD2 ASP A 22 8.352 1.395 -2.563 1.00 0.42 O ATOM 0 H ASP A 22 9.717 5.844 -1.505 1.00 0.34 H new ATOM 0 HA ASP A 22 10.889 3.940 -3.275 1.00 0.34 H new ATOM 0 HB2 ASP A 22 9.960 3.548 -0.939 1.00 0.34 H new ATOM 0 HB3 ASP A 22 8.343 3.694 -1.599 1.00 0.34 H new ATOM 365 N SER A 23 9.210 3.389 -5.118 1.00 0.31 N ATOM 366 CA SER A 23 8.327 3.305 -6.323 1.00 0.30 C ATOM 367 C SER A 23 7.178 2.319 -6.079 1.00 0.29 C ATOM 368 O SER A 23 7.242 1.476 -5.202 1.00 0.34 O ATOM 369 CB SER A 23 9.151 2.847 -7.531 1.00 0.35 C ATOM 370 OG SER A 23 8.587 3.390 -8.718 1.00 0.48 O ATOM 0 H SER A 23 9.992 2.734 -5.108 1.00 0.31 H new ATOM 0 HA SER A 23 7.905 4.291 -6.519 1.00 0.30 H new ATOM 0 HB2 SER A 23 10.186 3.173 -7.424 1.00 0.35 H new ATOM 0 HB3 SER A 23 9.163 1.758 -7.586 1.00 0.35 H new ATOM 0 HG SER A 23 8.258 2.663 -9.286 1.00 0.48 H new ATOM 376 N VAL A 24 6.126 2.424 -6.862 1.00 0.28 N ATOM 377 CA VAL A 24 4.956 1.501 -6.704 1.00 0.30 C ATOM 378 C VAL A 24 5.405 0.055 -6.965 1.00 0.34 C ATOM 379 O VAL A 24 4.896 -0.873 -6.362 1.00 0.38 O ATOM 380 CB VAL A 24 3.855 1.890 -7.701 1.00 0.34 C ATOM 381 CG1 VAL A 24 2.674 0.919 -7.586 1.00 0.41 C ATOM 382 CG2 VAL A 24 3.371 3.312 -7.401 1.00 0.36 C ATOM 0 H VAL A 24 6.029 3.114 -7.607 1.00 0.28 H new ATOM 0 HA VAL A 24 4.565 1.580 -5.689 1.00 0.30 H new ATOM 0 HB VAL A 24 4.260 1.844 -8.712 1.00 0.34 H new ATOM 0 HG11 VAL A 24 1.898 1.203 -8.297 1.00 0.41 H new ATOM 0 HG12 VAL A 24 3.013 -0.094 -7.805 1.00 0.41 H new ATOM 0 HG13 VAL A 24 2.270 0.956 -6.574 1.00 0.41 H new ATOM 0 HG21 VAL A 24 2.589 3.587 -8.109 1.00 0.36 H new ATOM 0 HG22 VAL A 24 2.973 3.355 -6.387 1.00 0.36 H new ATOM 0 HG23 VAL A 24 4.205 4.007 -7.493 1.00 0.36 H new ATOM 392 N GLY A 25 6.359 -0.140 -7.852 1.00 0.38 N ATOM 393 CA GLY A 25 6.853 -1.523 -8.147 1.00 0.44 C ATOM 394 C GLY A 25 7.421 -2.138 -6.867 1.00 0.40 C ATOM 395 O GLY A 25 7.054 -3.235 -6.482 1.00 0.42 O ATOM 0 H GLY A 25 6.815 0.602 -8.383 1.00 0.38 H new ATOM 0 HA2 GLY A 25 6.039 -2.139 -8.530 1.00 0.44 H new ATOM 0 HA3 GLY A 25 7.620 -1.491 -8.921 1.00 0.44 H new ATOM 399 N ASP A 26 8.299 -1.426 -6.197 1.00 0.39 N ATOM 400 CA ASP A 26 8.886 -1.942 -4.923 1.00 0.39 C ATOM 401 C ASP A 26 7.782 -2.042 -3.864 1.00 0.35 C ATOM 402 O ASP A 26 7.784 -2.937 -3.038 1.00 0.39 O ATOM 403 CB ASP A 26 9.978 -0.981 -4.435 1.00 0.45 C ATOM 404 CG ASP A 26 11.212 -1.778 -4.007 1.00 1.22 C ATOM 405 OD1 ASP A 26 12.049 -2.040 -4.856 1.00 1.87 O ATOM 406 OD2 ASP A 26 11.302 -2.109 -2.836 1.00 1.75 O ATOM 0 H ASP A 26 8.634 -0.506 -6.482 1.00 0.39 H new ATOM 0 HA ASP A 26 9.322 -2.927 -5.093 1.00 0.39 H new ATOM 0 HB2 ASP A 26 10.242 -0.282 -5.228 1.00 0.45 H new ATOM 0 HB3 ASP A 26 9.607 -0.389 -3.598 1.00 0.45 H new ATOM 411 N PHE A 27 6.836 -1.129 -3.895 1.00 0.34 N ATOM 412 CA PHE A 27 5.711 -1.150 -2.911 1.00 0.35 C ATOM 413 C PHE A 27 4.899 -2.441 -3.091 1.00 0.34 C ATOM 414 O PHE A 27 4.550 -3.100 -2.128 1.00 0.38 O ATOM 415 CB PHE A 27 4.808 0.064 -3.160 1.00 0.40 C ATOM 416 CG PHE A 27 3.713 0.116 -2.119 1.00 0.36 C ATOM 417 CD1 PHE A 27 3.921 0.799 -0.916 1.00 0.51 C ATOM 418 CD2 PHE A 27 2.490 -0.523 -2.359 1.00 0.57 C ATOM 419 CE1 PHE A 27 2.907 0.845 0.043 1.00 0.53 C ATOM 420 CE2 PHE A 27 1.476 -0.476 -1.398 1.00 0.61 C ATOM 421 CZ PHE A 27 1.683 0.208 -0.196 1.00 0.44 C ATOM 0 H PHE A 27 6.799 -0.364 -4.569 1.00 0.34 H new ATOM 0 HA PHE A 27 6.106 -1.112 -1.896 1.00 0.35 H new ATOM 0 HB2 PHE A 27 5.398 0.980 -3.125 1.00 0.40 H new ATOM 0 HB3 PHE A 27 4.371 0.004 -4.157 1.00 0.40 H new ATOM 0 HD1 PHE A 27 4.865 1.290 -0.729 1.00 0.51 H new ATOM 0 HD2 PHE A 27 2.330 -1.052 -3.287 1.00 0.57 H new ATOM 0 HE1 PHE A 27 3.067 1.373 0.971 1.00 0.53 H new ATOM 0 HE2 PHE A 27 0.533 -0.968 -1.584 1.00 0.61 H new ATOM 0 HZ PHE A 27 0.900 0.245 0.547 1.00 0.44 H new ATOM 431 N LYS A 28 4.604 -2.802 -4.319 1.00 0.35 N ATOM 432 CA LYS A 28 3.819 -4.049 -4.583 1.00 0.38 C ATOM 433 C LYS A 28 4.643 -5.281 -4.184 1.00 0.35 C ATOM 434 O LYS A 28 4.093 -6.293 -3.792 1.00 0.40 O ATOM 435 CB LYS A 28 3.470 -4.125 -6.073 1.00 0.44 C ATOM 436 CG LYS A 28 2.343 -3.138 -6.383 1.00 0.49 C ATOM 437 CD LYS A 28 1.593 -3.588 -7.639 1.00 0.51 C ATOM 438 CE LYS A 28 1.894 -2.627 -8.795 1.00 0.52 C ATOM 439 NZ LYS A 28 0.699 -1.776 -9.063 1.00 0.77 N ATOM 0 H LYS A 28 4.876 -2.282 -5.153 1.00 0.35 H new ATOM 0 HA LYS A 28 2.902 -4.028 -3.993 1.00 0.38 H new ATOM 0 HB2 LYS A 28 4.348 -3.892 -6.676 1.00 0.44 H new ATOM 0 HB3 LYS A 28 3.163 -5.138 -6.335 1.00 0.44 H new ATOM 0 HG2 LYS A 28 1.656 -3.079 -5.539 1.00 0.49 H new ATOM 0 HG3 LYS A 28 2.752 -2.139 -6.531 1.00 0.49 H new ATOM 0 HD2 LYS A 28 1.892 -4.601 -7.909 1.00 0.51 H new ATOM 0 HD3 LYS A 28 0.521 -3.613 -7.444 1.00 0.51 H new ATOM 0 HE2 LYS A 28 2.751 -2.000 -8.547 1.00 0.52 H new ATOM 0 HE3 LYS A 28 2.160 -3.190 -9.690 1.00 0.52 H new ATOM 0 HZ1 LYS A 28 0.905 -1.125 -9.847 1.00 0.77 H new ATOM 0 HZ2 LYS A 28 -0.108 -2.381 -9.318 1.00 0.77 H new ATOM 0 HZ3 LYS A 28 0.465 -1.228 -8.211 1.00 0.77 H new ATOM 453 N LYS A 29 5.953 -5.201 -4.276 1.00 0.33 N ATOM 454 CA LYS A 29 6.816 -6.364 -3.897 1.00 0.34 C ATOM 455 C LYS A 29 6.751 -6.579 -2.378 1.00 0.30 C ATOM 456 O LYS A 29 6.651 -7.699 -1.908 1.00 0.35 O ATOM 457 CB LYS A 29 8.265 -6.087 -4.311 1.00 0.38 C ATOM 458 CG LYS A 29 8.412 -6.278 -5.822 1.00 0.45 C ATOM 459 CD LYS A 29 9.877 -6.083 -6.222 1.00 0.68 C ATOM 460 CE LYS A 29 9.952 -5.244 -7.500 1.00 0.88 C ATOM 461 NZ LYS A 29 11.092 -4.285 -7.408 1.00 1.45 N ATOM 0 H LYS A 29 6.460 -4.377 -4.598 1.00 0.33 H new ATOM 0 HA LYS A 29 6.458 -7.259 -4.407 1.00 0.34 H new ATOM 0 HB2 LYS A 29 8.545 -5.071 -4.034 1.00 0.38 H new ATOM 0 HB3 LYS A 29 8.940 -6.760 -3.782 1.00 0.38 H new ATOM 0 HG2 LYS A 29 8.076 -7.275 -6.108 1.00 0.45 H new ATOM 0 HG3 LYS A 29 7.781 -5.565 -6.352 1.00 0.45 H new ATOM 0 HD2 LYS A 29 10.422 -5.588 -5.418 1.00 0.68 H new ATOM 0 HD3 LYS A 29 10.353 -7.051 -6.381 1.00 0.68 H new ATOM 0 HE2 LYS A 29 10.080 -5.894 -8.366 1.00 0.88 H new ATOM 0 HE3 LYS A 29 9.018 -4.701 -7.645 1.00 0.88 H new ATOM 0 HZ1 LYS A 29 11.139 -3.717 -8.278 1.00 1.45 H new ATOM 0 HZ2 LYS A 29 10.952 -3.656 -6.592 1.00 1.45 H new ATOM 0 HZ3 LYS A 29 11.981 -4.812 -7.290 1.00 1.45 H new ATOM 475 N VAL A 30 6.802 -5.511 -1.611 1.00 0.26 N ATOM 476 CA VAL A 30 6.739 -5.638 -0.120 1.00 0.25 C ATOM 477 C VAL A 30 5.324 -6.072 0.292 1.00 0.25 C ATOM 478 O VAL A 30 5.155 -6.920 1.150 1.00 0.33 O ATOM 479 CB VAL A 30 7.074 -4.287 0.532 1.00 0.28 C ATOM 480 CG1 VAL A 30 7.049 -4.430 2.056 1.00 0.33 C ATOM 481 CG2 VAL A 30 8.473 -3.837 0.094 1.00 0.34 C ATOM 0 H VAL A 30 6.885 -4.555 -1.957 1.00 0.26 H new ATOM 0 HA VAL A 30 7.462 -6.383 0.212 1.00 0.25 H new ATOM 0 HB VAL A 30 6.336 -3.548 0.221 1.00 0.28 H new ATOM 0 HG11 VAL A 30 7.287 -3.471 2.515 1.00 0.33 H new ATOM 0 HG12 VAL A 30 6.057 -4.749 2.375 1.00 0.33 H new ATOM 0 HG13 VAL A 30 7.785 -5.172 2.364 1.00 0.33 H new ATOM 0 HG21 VAL A 30 8.709 -2.879 0.557 1.00 0.34 H new ATOM 0 HG22 VAL A 30 9.208 -4.580 0.403 1.00 0.34 H new ATOM 0 HG23 VAL A 30 8.498 -3.732 -0.991 1.00 0.34 H new ATOM 491 N LEU A 31 4.311 -5.500 -0.321 1.00 0.27 N ATOM 492 CA LEU A 31 2.901 -5.872 0.015 1.00 0.31 C ATOM 493 C LEU A 31 2.628 -7.318 -0.430 1.00 0.29 C ATOM 494 O LEU A 31 1.970 -8.068 0.266 1.00 0.31 O ATOM 495 CB LEU A 31 1.940 -4.917 -0.705 1.00 0.38 C ATOM 496 CG LEU A 31 0.499 -5.190 -0.262 1.00 0.39 C ATOM 497 CD1 LEU A 31 0.311 -4.745 1.192 1.00 0.59 C ATOM 498 CD2 LEU A 31 -0.464 -4.411 -1.160 1.00 0.54 C ATOM 0 H LEU A 31 4.404 -4.787 -1.044 1.00 0.27 H new ATOM 0 HA LEU A 31 2.750 -5.796 1.092 1.00 0.31 H new ATOM 0 HB2 LEU A 31 2.208 -3.884 -0.484 1.00 0.38 H new ATOM 0 HB3 LEU A 31 2.028 -5.045 -1.784 1.00 0.38 H new ATOM 0 HG LEU A 31 0.293 -6.257 -0.342 1.00 0.39 H new ATOM 0 HD11 LEU A 31 -0.715 -4.941 1.503 1.00 0.59 H new ATOM 0 HD12 LEU A 31 0.996 -5.299 1.834 1.00 0.59 H new ATOM 0 HD13 LEU A 31 0.518 -3.678 1.276 1.00 0.59 H new ATOM 0 HD21 LEU A 31 -1.490 -4.604 -0.847 1.00 0.54 H new ATOM 0 HD22 LEU A 31 -0.254 -3.344 -1.080 1.00 0.54 H new ATOM 0 HD23 LEU A 31 -0.335 -4.729 -2.194 1.00 0.54 H new ATOM 510 N SER A 32 3.134 -7.702 -1.582 1.00 0.30 N ATOM 511 CA SER A 32 2.924 -9.094 -2.104 1.00 0.32 C ATOM 512 C SER A 32 3.366 -10.137 -1.062 1.00 0.32 C ATOM 513 O SER A 32 2.844 -11.233 -1.024 1.00 0.38 O ATOM 514 CB SER A 32 3.747 -9.280 -3.382 1.00 0.37 C ATOM 515 OG SER A 32 3.625 -10.622 -3.836 1.00 0.53 O ATOM 0 H SER A 32 3.691 -7.101 -2.190 1.00 0.30 H new ATOM 0 HA SER A 32 1.864 -9.235 -2.313 1.00 0.32 H new ATOM 0 HB2 SER A 32 3.401 -8.592 -4.153 1.00 0.37 H new ATOM 0 HB3 SER A 32 4.794 -9.044 -3.190 1.00 0.37 H new ATOM 0 HG SER A 32 4.494 -10.937 -4.162 1.00 0.53 H new ATOM 521 N LEU A 33 4.326 -9.808 -0.227 1.00 0.34 N ATOM 522 CA LEU A 33 4.800 -10.785 0.804 1.00 0.40 C ATOM 523 C LEU A 33 3.690 -11.046 1.835 1.00 0.38 C ATOM 524 O LEU A 33 3.544 -12.152 2.327 1.00 0.43 O ATOM 525 CB LEU A 33 6.034 -10.220 1.515 1.00 0.46 C ATOM 526 CG LEU A 33 7.275 -10.438 0.644 1.00 0.56 C ATOM 527 CD1 LEU A 33 8.285 -9.318 0.904 1.00 0.70 C ATOM 528 CD2 LEU A 33 7.912 -11.789 0.990 1.00 0.91 C ATOM 0 H LEU A 33 4.800 -8.905 -0.216 1.00 0.34 H new ATOM 0 HA LEU A 33 5.057 -11.723 0.312 1.00 0.40 H new ATOM 0 HB2 LEU A 33 5.898 -9.157 1.711 1.00 0.46 H new ATOM 0 HB3 LEU A 33 6.165 -10.708 2.481 1.00 0.46 H new ATOM 0 HG LEU A 33 6.986 -10.430 -0.407 1.00 0.56 H new ATOM 0 HD11 LEU A 33 9.168 -9.473 0.284 1.00 0.70 H new ATOM 0 HD12 LEU A 33 7.834 -8.357 0.658 1.00 0.70 H new ATOM 0 HD13 LEU A 33 8.574 -9.325 1.955 1.00 0.70 H new ATOM 0 HD21 LEU A 33 8.795 -11.944 0.370 1.00 0.91 H new ATOM 0 HD22 LEU A 33 8.200 -11.797 2.041 1.00 0.91 H new ATOM 0 HD23 LEU A 33 7.194 -12.588 0.805 1.00 0.91 H new ATOM 540 N GLN A 34 2.918 -10.037 2.172 1.00 0.36 N ATOM 541 CA GLN A 34 1.824 -10.215 3.180 1.00 0.38 C ATOM 542 C GLN A 34 0.568 -10.804 2.521 1.00 0.37 C ATOM 543 O GLN A 34 0.007 -11.770 3.008 1.00 0.45 O ATOM 544 CB GLN A 34 1.484 -8.859 3.805 1.00 0.40 C ATOM 545 CG GLN A 34 2.615 -8.435 4.747 1.00 0.49 C ATOM 546 CD GLN A 34 2.392 -6.991 5.203 1.00 0.47 C ATOM 547 OE1 GLN A 34 1.942 -6.752 6.307 1.00 0.68 O ATOM 548 NE2 GLN A 34 2.692 -6.008 4.396 1.00 0.57 N ATOM 0 H GLN A 34 3.000 -9.095 1.790 1.00 0.36 H new ATOM 0 HA GLN A 34 2.168 -10.905 3.951 1.00 0.38 H new ATOM 0 HB2 GLN A 34 1.346 -8.111 3.024 1.00 0.40 H new ATOM 0 HB3 GLN A 34 0.544 -8.924 4.353 1.00 0.40 H new ATOM 0 HG2 GLN A 34 2.649 -9.098 5.611 1.00 0.49 H new ATOM 0 HG3 GLN A 34 3.576 -8.522 4.240 1.00 0.49 H new ATOM 0 HE21 GLN A 34 3.070 -6.206 3.469 1.00 0.57 H new ATOM 0 HE22 GLN A 34 2.549 -5.043 4.693 1.00 0.57 H new ATOM 557 N ILE A 35 0.113 -10.225 1.431 1.00 0.35 N ATOM 558 CA ILE A 35 -1.123 -10.747 0.754 1.00 0.37 C ATOM 559 C ILE A 35 -0.814 -12.018 -0.049 1.00 0.39 C ATOM 560 O ILE A 35 -1.690 -12.834 -0.275 1.00 0.47 O ATOM 561 CB ILE A 35 -1.706 -9.686 -0.197 1.00 0.35 C ATOM 562 CG1 ILE A 35 -0.618 -9.165 -1.145 1.00 0.33 C ATOM 563 CG2 ILE A 35 -2.270 -8.522 0.615 1.00 0.44 C ATOM 564 CD1 ILE A 35 -1.232 -8.183 -2.147 1.00 0.35 C ATOM 0 H ILE A 35 0.542 -9.416 0.982 1.00 0.35 H new ATOM 0 HA ILE A 35 -1.850 -10.982 1.532 1.00 0.37 H new ATOM 0 HB ILE A 35 -2.502 -10.143 -0.786 1.00 0.35 H new ATOM 0 HG12 ILE A 35 0.169 -8.672 -0.574 1.00 0.33 H new ATOM 0 HG13 ILE A 35 -0.155 -9.997 -1.675 1.00 0.33 H new ATOM 0 HG21 ILE A 35 -2.682 -7.773 -0.061 1.00 0.44 H new ATOM 0 HG22 ILE A 35 -3.057 -8.887 1.275 1.00 0.44 H new ATOM 0 HG23 ILE A 35 -1.474 -8.075 1.211 1.00 0.44 H new ATOM 0 HD11 ILE A 35 -0.456 -7.815 -2.818 1.00 0.35 H new ATOM 0 HD12 ILE A 35 -2.003 -8.690 -2.727 1.00 0.35 H new ATOM 0 HD13 ILE A 35 -1.674 -7.344 -1.610 1.00 0.35 H new ATOM 576 N GLY A 36 0.409 -12.184 -0.503 1.00 0.37 N ATOM 577 CA GLY A 36 0.755 -13.391 -1.316 1.00 0.41 C ATOM 578 C GLY A 36 0.003 -13.304 -2.645 1.00 0.41 C ATOM 579 O GLY A 36 -0.666 -14.234 -3.058 1.00 0.52 O ATOM 0 H GLY A 36 1.180 -11.535 -0.344 1.00 0.37 H new ATOM 0 HA2 GLY A 36 1.830 -13.437 -1.490 1.00 0.41 H new ATOM 0 HA3 GLY A 36 0.480 -14.301 -0.782 1.00 0.41 H new ATOM 583 N THR A 37 0.093 -12.168 -3.296 1.00 0.33 N ATOM 584 CA THR A 37 -0.630 -11.962 -4.590 1.00 0.35 C ATOM 585 C THR A 37 0.373 -11.713 -5.735 1.00 0.37 C ATOM 586 O THR A 37 -0.025 -11.465 -6.859 1.00 0.40 O ATOM 587 CB THR A 37 -1.554 -10.741 -4.439 1.00 0.31 C ATOM 588 OG1 THR A 37 -2.210 -10.794 -3.177 1.00 0.35 O ATOM 589 CG2 THR A 37 -2.605 -10.730 -5.544 1.00 0.38 C ATOM 0 H THR A 37 0.642 -11.368 -2.982 1.00 0.33 H new ATOM 0 HA THR A 37 -1.211 -12.853 -4.830 1.00 0.35 H new ATOM 0 HB THR A 37 -0.950 -9.836 -4.509 1.00 0.31 H new ATOM 0 HG1 THR A 37 -3.058 -10.306 -3.228 1.00 0.35 H new ATOM 0 HG21 THR A 37 -3.251 -9.860 -5.423 1.00 0.38 H new ATOM 0 HG22 THR A 37 -2.112 -10.684 -6.515 1.00 0.38 H new ATOM 0 HG23 THR A 37 -3.205 -11.638 -5.485 1.00 0.38 H new ATOM 597 N GLN A 38 1.665 -11.774 -5.459 1.00 0.47 N ATOM 598 CA GLN A 38 2.703 -11.535 -6.520 1.00 0.54 C ATOM 599 C GLN A 38 2.641 -10.072 -6.989 1.00 0.53 C ATOM 600 O GLN A 38 1.601 -9.445 -6.932 1.00 0.48 O ATOM 601 CB GLN A 38 2.465 -12.470 -7.715 1.00 0.57 C ATOM 602 CG GLN A 38 3.379 -13.693 -7.600 1.00 0.63 C ATOM 603 CD GLN A 38 2.697 -14.897 -8.254 1.00 1.49 C ATOM 604 OE1 GLN A 38 3.055 -15.293 -9.346 1.00 2.01 O ATOM 605 NE2 GLN A 38 1.725 -15.502 -7.625 1.00 2.34 N ATOM 0 H GLN A 38 2.043 -11.981 -4.535 1.00 0.47 H new ATOM 0 HA GLN A 38 3.688 -11.739 -6.100 1.00 0.54 H new ATOM 0 HB2 GLN A 38 1.422 -12.784 -7.742 1.00 0.57 H new ATOM 0 HB3 GLN A 38 2.663 -11.942 -8.648 1.00 0.57 H new ATOM 0 HG2 GLN A 38 4.335 -13.494 -8.085 1.00 0.63 H new ATOM 0 HG3 GLN A 38 3.591 -13.905 -6.552 1.00 0.63 H new ATOM 0 HE21 GLN A 38 1.425 -15.169 -6.709 1.00 2.34 H new ATOM 0 HE22 GLN A 38 1.266 -16.307 -8.050 1.00 2.34 H new ATOM 614 N PRO A 39 3.764 -9.566 -7.447 1.00 0.67 N ATOM 615 CA PRO A 39 3.866 -8.174 -7.936 1.00 0.78 C ATOM 616 C PRO A 39 3.192 -8.014 -9.310 1.00 0.75 C ATOM 617 O PRO A 39 3.011 -6.908 -9.789 1.00 0.90 O ATOM 618 CB PRO A 39 5.377 -7.933 -8.023 1.00 0.96 C ATOM 619 CG PRO A 39 6.037 -9.328 -8.122 1.00 0.95 C ATOM 620 CD PRO A 39 5.029 -10.332 -7.531 1.00 0.80 C ATOM 0 HA PRO A 39 3.362 -7.459 -7.285 1.00 0.78 H new ATOM 0 HB2 PRO A 39 5.624 -7.324 -8.893 1.00 0.96 H new ATOM 0 HB3 PRO A 39 5.736 -7.395 -7.145 1.00 0.96 H new ATOM 0 HG2 PRO A 39 6.268 -9.575 -9.158 1.00 0.95 H new ATOM 0 HG3 PRO A 39 6.977 -9.352 -7.571 1.00 0.95 H new ATOM 0 HD2 PRO A 39 4.922 -11.211 -8.167 1.00 0.80 H new ATOM 0 HD3 PRO A 39 5.347 -10.686 -6.550 1.00 0.80 H new ATOM 628 N ASN A 40 2.814 -9.105 -9.941 1.00 0.66 N ATOM 629 CA ASN A 40 2.147 -9.021 -11.276 1.00 0.70 C ATOM 630 C ASN A 40 0.618 -9.115 -11.122 1.00 0.65 C ATOM 631 O ASN A 40 -0.115 -8.850 -12.060 1.00 0.78 O ATOM 632 CB ASN A 40 2.646 -10.171 -12.158 1.00 0.77 C ATOM 633 CG ASN A 40 3.908 -9.732 -12.904 1.00 1.29 C ATOM 634 OD1 ASN A 40 3.831 -9.259 -14.021 1.00 1.81 O ATOM 635 ND2 ASN A 40 5.073 -9.870 -12.333 1.00 1.59 N ATOM 0 H ASN A 40 2.941 -10.052 -9.584 1.00 0.66 H new ATOM 0 HA ASN A 40 2.391 -8.064 -11.737 1.00 0.70 H new ATOM 0 HB2 ASN A 40 2.859 -11.047 -11.545 1.00 0.77 H new ATOM 0 HB3 ASN A 40 1.872 -10.460 -12.869 1.00 0.77 H new ATOM 0 HD21 ASN A 40 5.919 -9.581 -12.824 1.00 1.59 H new ATOM 0 HD22 ASN A 40 5.138 -10.267 -11.396 1.00 1.59 H new ATOM 642 N LYS A 41 0.126 -9.491 -9.957 1.00 0.51 N ATOM 643 CA LYS A 41 -1.354 -9.601 -9.764 1.00 0.49 C ATOM 644 C LYS A 41 -1.845 -8.580 -8.717 1.00 0.41 C ATOM 645 O LYS A 41 -2.942 -8.702 -8.198 1.00 0.48 O ATOM 646 CB LYS A 41 -1.697 -11.021 -9.300 1.00 0.52 C ATOM 647 CG LYS A 41 -2.821 -11.587 -10.172 1.00 0.71 C ATOM 648 CD LYS A 41 -4.106 -11.692 -9.346 1.00 0.84 C ATOM 649 CE LYS A 41 -5.268 -12.098 -10.257 1.00 1.11 C ATOM 650 NZ LYS A 41 -6.203 -12.996 -9.516 1.00 1.38 N ATOM 0 H LYS A 41 0.687 -9.724 -9.138 1.00 0.51 H new ATOM 0 HA LYS A 41 -1.850 -9.389 -10.711 1.00 0.49 H new ATOM 0 HB2 LYS A 41 -0.816 -11.659 -9.365 1.00 0.52 H new ATOM 0 HB3 LYS A 41 -2.005 -11.009 -8.254 1.00 0.52 H new ATOM 0 HG2 LYS A 41 -2.984 -10.944 -11.037 1.00 0.71 H new ATOM 0 HG3 LYS A 41 -2.540 -12.569 -10.553 1.00 0.71 H new ATOM 0 HD2 LYS A 41 -3.980 -12.426 -8.550 1.00 0.84 H new ATOM 0 HD3 LYS A 41 -4.322 -10.737 -8.867 1.00 0.84 H new ATOM 0 HE2 LYS A 41 -5.799 -11.211 -10.602 1.00 1.11 H new ATOM 0 HE3 LYS A 41 -4.887 -12.606 -11.143 1.00 1.11 H new ATOM 0 HZ1 LYS A 41 -6.990 -13.268 -10.139 1.00 1.38 H new ATOM 0 HZ2 LYS A 41 -5.694 -13.849 -9.208 1.00 1.38 H new ATOM 0 HZ3 LYS A 41 -6.577 -12.497 -8.684 1.00 1.38 H new ATOM 664 N ILE A 42 -1.056 -7.570 -8.411 1.00 0.35 N ATOM 665 CA ILE A 42 -1.495 -6.547 -7.409 1.00 0.28 C ATOM 666 C ILE A 42 -1.774 -5.216 -8.119 1.00 0.29 C ATOM 667 O ILE A 42 -0.990 -4.755 -8.930 1.00 0.36 O ATOM 668 CB ILE A 42 -0.400 -6.341 -6.351 1.00 0.29 C ATOM 669 CG1 ILE A 42 -0.249 -7.612 -5.513 1.00 0.32 C ATOM 670 CG2 ILE A 42 -0.788 -5.178 -5.429 1.00 0.38 C ATOM 671 CD1 ILE A 42 1.040 -7.533 -4.689 1.00 0.36 C ATOM 0 H ILE A 42 -0.131 -7.414 -8.812 1.00 0.35 H new ATOM 0 HA ILE A 42 -2.404 -6.898 -6.920 1.00 0.28 H new ATOM 0 HB ILE A 42 0.542 -6.116 -6.851 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -1.108 -7.729 -4.853 1.00 0.32 H new ATOM 0 HG13 ILE A 42 -0.225 -8.487 -6.162 1.00 0.32 H new ATOM 0 HG21 ILE A 42 -0.010 -5.033 -4.679 1.00 0.38 H new ATOM 0 HG22 ILE A 42 -0.898 -4.268 -6.018 1.00 0.38 H new ATOM 0 HG23 ILE A 42 -1.732 -5.406 -4.934 1.00 0.38 H new ATOM 0 HD11 ILE A 42 1.147 -8.439 -4.092 1.00 0.36 H new ATOM 0 HD12 ILE A 42 1.895 -7.437 -5.359 1.00 0.36 H new ATOM 0 HD13 ILE A 42 0.997 -6.667 -4.029 1.00 0.36 H new ATOM 683 N VAL A 43 -2.886 -4.595 -7.804 1.00 0.29 N ATOM 684 CA VAL A 43 -3.241 -3.284 -8.430 1.00 0.31 C ATOM 685 C VAL A 43 -3.558 -2.283 -7.311 1.00 0.29 C ATOM 686 O VAL A 43 -4.480 -2.477 -6.539 1.00 0.37 O ATOM 687 CB VAL A 43 -4.466 -3.459 -9.337 1.00 0.36 C ATOM 688 CG1 VAL A 43 -4.811 -2.123 -10.004 1.00 0.46 C ATOM 689 CG2 VAL A 43 -4.158 -4.498 -10.420 1.00 0.45 C ATOM 0 H VAL A 43 -3.569 -4.946 -7.133 1.00 0.29 H new ATOM 0 HA VAL A 43 -2.410 -2.918 -9.033 1.00 0.31 H new ATOM 0 HB VAL A 43 -5.311 -3.795 -8.736 1.00 0.36 H new ATOM 0 HG11 VAL A 43 -5.681 -2.252 -10.647 1.00 0.46 H new ATOM 0 HG12 VAL A 43 -5.033 -1.380 -9.238 1.00 0.46 H new ATOM 0 HG13 VAL A 43 -3.965 -1.786 -10.602 1.00 0.46 H new ATOM 0 HG21 VAL A 43 -5.029 -4.622 -11.064 1.00 0.45 H new ATOM 0 HG22 VAL A 43 -3.310 -4.161 -11.017 1.00 0.45 H new ATOM 0 HG23 VAL A 43 -3.915 -5.452 -9.951 1.00 0.45 H new ATOM 699 N LEU A 44 -2.794 -1.225 -7.210 1.00 0.29 N ATOM 700 CA LEU A 44 -3.037 -0.215 -6.133 1.00 0.30 C ATOM 701 C LEU A 44 -3.826 0.972 -6.694 1.00 0.30 C ATOM 702 O LEU A 44 -3.677 1.342 -7.846 1.00 0.35 O ATOM 703 CB LEU A 44 -1.696 0.277 -5.585 1.00 0.37 C ATOM 704 CG LEU A 44 -1.072 -0.807 -4.704 1.00 0.60 C ATOM 705 CD1 LEU A 44 0.448 -0.776 -4.857 1.00 0.71 C ATOM 706 CD2 LEU A 44 -1.445 -0.552 -3.240 1.00 0.86 C ATOM 0 H LEU A 44 -2.010 -1.016 -7.828 1.00 0.29 H new ATOM 0 HA LEU A 44 -3.613 -0.679 -5.332 1.00 0.30 H new ATOM 0 HB2 LEU A 44 -1.024 0.523 -6.407 1.00 0.37 H new ATOM 0 HB3 LEU A 44 -1.841 1.190 -5.008 1.00 0.37 H new ATOM 0 HG LEU A 44 -1.447 -1.784 -5.009 1.00 0.60 H new ATOM 0 HD11 LEU A 44 0.893 -1.548 -4.229 1.00 0.71 H new ATOM 0 HD12 LEU A 44 0.713 -0.958 -5.899 1.00 0.71 H new ATOM 0 HD13 LEU A 44 0.825 0.200 -4.552 1.00 0.71 H new ATOM 0 HD21 LEU A 44 -1.001 -1.324 -2.612 1.00 0.86 H new ATOM 0 HD22 LEU A 44 -1.071 0.425 -2.934 1.00 0.86 H new ATOM 0 HD23 LEU A 44 -2.529 -0.575 -3.131 1.00 0.86 H new ATOM 718 N GLN A 45 -4.667 1.570 -5.882 1.00 0.32 N ATOM 719 CA GLN A 45 -5.476 2.736 -6.353 1.00 0.36 C ATOM 720 C GLN A 45 -5.295 3.914 -5.390 1.00 0.37 C ATOM 721 O GLN A 45 -5.239 3.741 -4.184 1.00 0.47 O ATOM 722 CB GLN A 45 -6.963 2.356 -6.416 1.00 0.44 C ATOM 723 CG GLN A 45 -7.131 0.998 -7.109 1.00 0.47 C ATOM 724 CD GLN A 45 -7.435 1.213 -8.593 1.00 0.66 C ATOM 725 OE1 GLN A 45 -6.567 1.064 -9.430 1.00 0.91 O ATOM 726 NE2 GLN A 45 -8.641 1.561 -8.957 1.00 1.04 N ATOM 0 H GLN A 45 -4.827 1.299 -4.912 1.00 0.32 H new ATOM 0 HA GLN A 45 -5.135 3.021 -7.348 1.00 0.36 H new ATOM 0 HB2 GLN A 45 -7.378 2.313 -5.409 1.00 0.44 H new ATOM 0 HB3 GLN A 45 -7.519 3.121 -6.958 1.00 0.44 H new ATOM 0 HG2 GLN A 45 -6.223 0.406 -6.996 1.00 0.47 H new ATOM 0 HG3 GLN A 45 -7.939 0.436 -6.640 1.00 0.47 H new ATOM 0 HE21 GLN A 45 -9.370 1.686 -8.254 1.00 1.04 H new ATOM 0 HE22 GLN A 45 -8.854 1.707 -9.944 1.00 1.04 H new ATOM 735 N LYS A 46 -5.205 5.112 -5.918 1.00 0.43 N ATOM 736 CA LYS A 46 -5.028 6.313 -5.048 1.00 0.52 C ATOM 737 C LYS A 46 -6.076 7.372 -5.416 1.00 0.57 C ATOM 738 O LYS A 46 -5.869 8.186 -6.301 1.00 0.71 O ATOM 739 CB LYS A 46 -3.620 6.885 -5.248 1.00 0.56 C ATOM 740 CG LYS A 46 -3.378 8.020 -4.250 1.00 0.93 C ATOM 741 CD LYS A 46 -2.199 7.661 -3.345 1.00 0.66 C ATOM 742 CE LYS A 46 -2.373 8.333 -1.983 1.00 0.87 C ATOM 743 NZ LYS A 46 -2.136 7.335 -0.901 1.00 0.90 N ATOM 0 H LYS A 46 -5.247 5.308 -6.918 1.00 0.43 H new ATOM 0 HA LYS A 46 -5.156 6.029 -4.004 1.00 0.52 H new ATOM 0 HB2 LYS A 46 -2.875 6.101 -5.110 1.00 0.56 H new ATOM 0 HB3 LYS A 46 -3.508 7.254 -6.267 1.00 0.56 H new ATOM 0 HG2 LYS A 46 -3.172 8.949 -4.782 1.00 0.93 H new ATOM 0 HG3 LYS A 46 -4.273 8.188 -3.650 1.00 0.93 H new ATOM 0 HD2 LYS A 46 -2.138 6.580 -3.223 1.00 0.66 H new ATOM 0 HD3 LYS A 46 -1.264 7.983 -3.804 1.00 0.66 H new ATOM 0 HE2 LYS A 46 -1.675 9.165 -1.884 1.00 0.87 H new ATOM 0 HE3 LYS A 46 -3.377 8.748 -1.896 1.00 0.87 H new ATOM 0 HZ1 LYS A 46 -2.019 7.829 0.007 1.00 0.90 H new ATOM 0 HZ2 LYS A 46 -2.948 6.688 -0.841 1.00 0.90 H new ATOM 0 HZ3 LYS A 46 -1.275 6.791 -1.113 1.00 0.90 H new ATOM 757 N GLY A 47 -7.201 7.364 -4.737 1.00 0.74 N ATOM 758 CA GLY A 47 -8.275 8.364 -5.027 1.00 0.94 C ATOM 759 C GLY A 47 -8.815 8.154 -6.446 1.00 0.91 C ATOM 760 O GLY A 47 -8.887 9.082 -7.232 1.00 1.05 O ATOM 0 H GLY A 47 -7.420 6.703 -3.991 1.00 0.74 H new ATOM 0 HA2 GLY A 47 -9.083 8.263 -4.303 1.00 0.94 H new ATOM 0 HA3 GLY A 47 -7.880 9.375 -4.925 1.00 0.94 H new ATOM 764 N GLY A 48 -9.193 6.940 -6.776 1.00 0.84 N ATOM 765 CA GLY A 48 -9.729 6.653 -8.142 1.00 0.90 C ATOM 766 C GLY A 48 -8.618 6.817 -9.185 1.00 0.84 C ATOM 767 O GLY A 48 -8.807 7.450 -10.209 1.00 1.03 O ATOM 0 H GLY A 48 -9.152 6.133 -6.153 1.00 0.84 H new ATOM 0 HA2 GLY A 48 -10.128 5.639 -8.180 1.00 0.90 H new ATOM 0 HA3 GLY A 48 -10.554 7.329 -8.368 1.00 0.90 H new ATOM 771 N SER A 49 -7.461 6.247 -8.931 1.00 0.70 N ATOM 772 CA SER A 49 -6.324 6.353 -9.897 1.00 0.69 C ATOM 773 C SER A 49 -5.462 5.089 -9.795 1.00 0.56 C ATOM 774 O SER A 49 -5.108 4.661 -8.712 1.00 0.57 O ATOM 775 CB SER A 49 -5.479 7.583 -9.558 1.00 0.75 C ATOM 776 OG SER A 49 -5.052 8.205 -10.762 1.00 1.14 O ATOM 0 H SER A 49 -7.257 5.709 -8.088 1.00 0.70 H new ATOM 0 HA SER A 49 -6.709 6.452 -10.912 1.00 0.69 H new ATOM 0 HB2 SER A 49 -6.060 8.284 -8.959 1.00 0.75 H new ATOM 0 HB3 SER A 49 -4.616 7.292 -8.959 1.00 0.75 H new ATOM 0 HG SER A 49 -4.512 8.994 -10.549 1.00 1.14 H new ATOM 782 N VAL A 50 -5.131 4.487 -10.912 1.00 0.57 N ATOM 783 CA VAL A 50 -4.303 3.239 -10.881 1.00 0.53 C ATOM 784 C VAL A 50 -2.821 3.586 -10.685 1.00 0.51 C ATOM 785 O VAL A 50 -2.261 4.407 -11.392 1.00 0.59 O ATOM 786 CB VAL A 50 -4.494 2.457 -12.193 1.00 0.67 C ATOM 787 CG1 VAL A 50 -3.941 3.260 -13.376 1.00 0.83 C ATOM 788 CG2 VAL A 50 -3.759 1.114 -12.101 1.00 0.77 C ATOM 0 H VAL A 50 -5.398 4.805 -11.844 1.00 0.57 H new ATOM 0 HA VAL A 50 -4.627 2.620 -10.044 1.00 0.53 H new ATOM 0 HB VAL A 50 -5.559 2.284 -12.348 1.00 0.67 H new ATOM 0 HG11 VAL A 50 -4.083 2.695 -14.297 1.00 0.83 H new ATOM 0 HG12 VAL A 50 -4.469 4.211 -13.449 1.00 0.83 H new ATOM 0 HG13 VAL A 50 -2.878 3.446 -13.224 1.00 0.83 H new ATOM 0 HG21 VAL A 50 -3.895 0.561 -13.030 1.00 0.77 H new ATOM 0 HG22 VAL A 50 -2.696 1.291 -11.936 1.00 0.77 H new ATOM 0 HG23 VAL A 50 -4.163 0.534 -11.271 1.00 0.77 H new ATOM 798 N LEU A 51 -2.183 2.948 -9.733 1.00 0.48 N ATOM 799 CA LEU A 51 -0.733 3.210 -9.484 1.00 0.47 C ATOM 800 C LEU A 51 0.090 2.193 -10.283 1.00 0.47 C ATOM 801 O LEU A 51 -0.263 1.028 -10.369 1.00 0.61 O ATOM 802 CB LEU A 51 -0.421 3.084 -7.985 1.00 0.52 C ATOM 803 CG LEU A 51 -1.503 3.795 -7.157 1.00 0.53 C ATOM 804 CD1 LEU A 51 -1.113 3.778 -5.677 1.00 0.58 C ATOM 805 CD2 LEU A 51 -1.645 5.250 -7.618 1.00 0.53 C ATOM 0 H LEU A 51 -2.607 2.255 -9.116 1.00 0.48 H new ATOM 0 HA LEU A 51 -0.480 4.222 -9.800 1.00 0.47 H new ATOM 0 HB2 LEU A 51 -0.370 2.032 -7.704 1.00 0.52 H new ATOM 0 HB3 LEU A 51 0.555 3.519 -7.771 1.00 0.52 H new ATOM 0 HG LEU A 51 -2.451 3.275 -7.296 1.00 0.53 H new ATOM 0 HD11 LEU A 51 -1.882 4.283 -5.092 1.00 0.58 H new ATOM 0 HD12 LEU A 51 -1.018 2.747 -5.338 1.00 0.58 H new ATOM 0 HD13 LEU A 51 -0.161 4.293 -5.546 1.00 0.58 H new ATOM 0 HD21 LEU A 51 -2.414 5.746 -7.026 1.00 0.53 H new ATOM 0 HD22 LEU A 51 -0.695 5.768 -7.486 1.00 0.53 H new ATOM 0 HD23 LEU A 51 -1.927 5.272 -8.671 1.00 0.53 H new ATOM 817 N LYS A 52 1.169 2.629 -10.887 1.00 0.48 N ATOM 818 CA LYS A 52 2.005 1.701 -11.708 1.00 0.50 C ATOM 819 C LYS A 52 3.442 1.667 -11.179 1.00 0.46 C ATOM 820 O LYS A 52 3.941 2.640 -10.640 1.00 0.43 O ATOM 821 CB LYS A 52 2.008 2.186 -13.158 1.00 0.52 C ATOM 822 CG LYS A 52 1.186 1.225 -14.019 1.00 0.83 C ATOM 823 CD LYS A 52 1.071 1.785 -15.437 1.00 1.42 C ATOM 824 CE LYS A 52 -0.373 1.653 -15.923 1.00 2.38 C ATOM 825 NZ LYS A 52 -0.435 1.949 -17.383 1.00 3.23 N ATOM 0 H LYS A 52 1.507 3.591 -10.846 1.00 0.48 H new ATOM 0 HA LYS A 52 1.587 0.696 -11.649 1.00 0.50 H new ATOM 0 HB2 LYS A 52 1.591 3.191 -13.217 1.00 0.52 H new ATOM 0 HB3 LYS A 52 3.030 2.242 -13.532 1.00 0.52 H new ATOM 0 HG2 LYS A 52 1.660 0.243 -14.041 1.00 0.83 H new ATOM 0 HG3 LYS A 52 0.194 1.091 -13.588 1.00 0.83 H new ATOM 0 HD2 LYS A 52 1.377 2.831 -15.452 1.00 1.42 H new ATOM 0 HD3 LYS A 52 1.742 1.247 -16.107 1.00 1.42 H new ATOM 0 HE2 LYS A 52 -0.743 0.646 -15.729 1.00 2.38 H new ATOM 0 HE3 LYS A 52 -1.017 2.340 -15.374 1.00 2.38 H new ATOM 0 HZ1 LYS A 52 -1.417 1.859 -17.714 1.00 3.23 H new ATOM 0 HZ2 LYS A 52 -0.099 2.918 -17.555 1.00 3.23 H new ATOM 0 HZ3 LYS A 52 0.167 1.276 -17.899 1.00 3.23 H new ATOM 839 N ASP A 53 4.106 0.545 -11.340 1.00 0.51 N ATOM 840 CA ASP A 53 5.517 0.413 -10.857 1.00 0.54 C ATOM 841 C ASP A 53 6.423 1.436 -11.562 1.00 0.49 C ATOM 842 O ASP A 53 7.396 1.900 -10.996 1.00 0.55 O ATOM 843 CB ASP A 53 6.032 -1.010 -11.131 1.00 0.64 C ATOM 844 CG ASP A 53 5.995 -1.315 -12.636 1.00 0.71 C ATOM 845 OD1 ASP A 53 4.939 -1.688 -13.122 1.00 0.79 O ATOM 846 OD2 ASP A 53 7.026 -1.178 -13.275 1.00 0.78 O ATOM 0 H ASP A 53 3.727 -0.289 -11.788 1.00 0.51 H new ATOM 0 HA ASP A 53 5.538 0.605 -9.784 1.00 0.54 H new ATOM 0 HB2 ASP A 53 7.051 -1.112 -10.758 1.00 0.64 H new ATOM 0 HB3 ASP A 53 5.421 -1.734 -10.592 1.00 0.64 H new ATOM 851 N HIS A 54 6.112 1.784 -12.791 1.00 0.45 N ATOM 852 CA HIS A 54 6.950 2.773 -13.545 1.00 0.47 C ATOM 853 C HIS A 54 6.900 4.156 -12.871 1.00 0.43 C ATOM 854 O HIS A 54 7.780 4.975 -13.072 1.00 0.53 O ATOM 855 CB HIS A 54 6.428 2.885 -14.980 1.00 0.51 C ATOM 856 CG HIS A 54 6.599 1.561 -15.676 1.00 0.64 C ATOM 857 ND1 HIS A 54 7.842 1.084 -16.059 1.00 0.87 N ATOM 858 CD2 HIS A 54 5.695 0.597 -16.048 1.00 0.81 C ATOM 859 CE1 HIS A 54 7.654 -0.119 -16.633 1.00 0.98 C ATOM 860 NE2 HIS A 54 6.365 -0.463 -16.651 1.00 0.94 N ATOM 0 H HIS A 54 5.309 1.423 -13.306 1.00 0.45 H new ATOM 0 HA HIS A 54 7.984 2.427 -13.549 1.00 0.47 H new ATOM 0 HB2 HIS A 54 5.377 3.173 -14.975 1.00 0.51 H new ATOM 0 HB3 HIS A 54 6.970 3.664 -15.517 1.00 0.51 H new ATOM 0 HD2 HIS A 54 4.627 0.653 -15.896 1.00 0.81 H new ATOM 0 HE1 HIS A 54 8.450 -0.731 -17.031 1.00 0.98 H new ATOM 0 HE2 HIS A 54 5.958 -1.320 -17.026 1.00 0.94 H new ATOM 868 N ILE A 55 5.885 4.424 -12.080 1.00 0.34 N ATOM 869 CA ILE A 55 5.783 5.753 -11.400 1.00 0.32 C ATOM 870 C ILE A 55 6.139 5.600 -9.915 1.00 0.29 C ATOM 871 O ILE A 55 5.811 4.608 -9.285 1.00 0.32 O ATOM 872 CB ILE A 55 4.355 6.295 -11.548 1.00 0.32 C ATOM 873 CG1 ILE A 55 4.064 6.558 -13.030 1.00 0.43 C ATOM 874 CG2 ILE A 55 4.217 7.605 -10.769 1.00 0.38 C ATOM 875 CD1 ILE A 55 3.368 5.342 -13.649 1.00 0.53 C ATOM 0 H ILE A 55 5.123 3.777 -11.877 1.00 0.34 H new ATOM 0 HA ILE A 55 6.479 6.454 -11.860 1.00 0.32 H new ATOM 0 HB ILE A 55 3.649 5.563 -11.156 1.00 0.32 H new ATOM 0 HG12 ILE A 55 3.433 7.441 -13.135 1.00 0.43 H new ATOM 0 HG13 ILE A 55 4.993 6.765 -13.561 1.00 0.43 H new ATOM 0 HG21 ILE A 55 3.202 7.987 -10.876 1.00 0.38 H new ATOM 0 HG22 ILE A 55 4.427 7.425 -9.715 1.00 0.38 H new ATOM 0 HG23 ILE A 55 4.923 8.337 -11.160 1.00 0.38 H new ATOM 0 HD11 ILE A 55 3.164 5.536 -14.702 1.00 0.53 H new ATOM 0 HD12 ILE A 55 4.014 4.468 -13.559 1.00 0.53 H new ATOM 0 HD13 ILE A 55 2.430 5.155 -13.127 1.00 0.53 H new ATOM 887 N SER A 56 6.818 6.577 -9.359 1.00 0.29 N ATOM 888 CA SER A 56 7.212 6.505 -7.919 1.00 0.28 C ATOM 889 C SER A 56 6.032 6.904 -7.023 1.00 0.26 C ATOM 890 O SER A 56 5.126 7.605 -7.445 1.00 0.27 O ATOM 891 CB SER A 56 8.391 7.447 -7.663 1.00 0.33 C ATOM 892 OG SER A 56 9.267 6.853 -6.715 1.00 0.64 O ATOM 0 H SER A 56 7.116 7.423 -9.845 1.00 0.29 H new ATOM 0 HA SER A 56 7.503 5.481 -7.684 1.00 0.28 H new ATOM 0 HB2 SER A 56 8.923 7.644 -8.594 1.00 0.33 H new ATOM 0 HB3 SER A 56 8.031 8.407 -7.292 1.00 0.33 H new ATOM 0 HG SER A 56 9.344 7.436 -5.931 1.00 0.64 H new ATOM 898 N LEU A 57 6.045 6.461 -5.785 1.00 0.26 N ATOM 899 CA LEU A 57 4.937 6.802 -4.835 1.00 0.26 C ATOM 900 C LEU A 57 4.859 8.323 -4.648 1.00 0.28 C ATOM 901 O LEU A 57 3.785 8.876 -4.494 1.00 0.31 O ATOM 902 CB LEU A 57 5.201 6.135 -3.479 1.00 0.29 C ATOM 903 CG LEU A 57 4.941 4.628 -3.585 1.00 0.35 C ATOM 904 CD1 LEU A 57 5.632 3.908 -2.425 1.00 0.45 C ATOM 905 CD2 LEU A 57 3.434 4.361 -3.524 1.00 0.44 C ATOM 0 H LEU A 57 6.781 5.874 -5.391 1.00 0.26 H new ATOM 0 HA LEU A 57 3.993 6.441 -5.243 1.00 0.26 H new ATOM 0 HB2 LEU A 57 6.230 6.315 -3.168 1.00 0.29 H new ATOM 0 HB3 LEU A 57 4.557 6.572 -2.716 1.00 0.29 H new ATOM 0 HG LEU A 57 5.337 4.259 -4.531 1.00 0.35 H new ATOM 0 HD11 LEU A 57 5.447 2.836 -2.500 1.00 0.45 H new ATOM 0 HD12 LEU A 57 6.705 4.095 -2.468 1.00 0.45 H new ATOM 0 HD13 LEU A 57 5.237 4.279 -1.479 1.00 0.45 H new ATOM 0 HD21 LEU A 57 3.251 3.289 -3.600 1.00 0.44 H new ATOM 0 HD22 LEU A 57 3.037 4.731 -2.579 1.00 0.44 H new ATOM 0 HD23 LEU A 57 2.940 4.872 -4.350 1.00 0.44 H new ATOM 917 N GLU A 58 5.989 9.000 -4.662 1.00 0.32 N ATOM 918 CA GLU A 58 5.994 10.489 -4.489 1.00 0.36 C ATOM 919 C GLU A 58 5.130 11.147 -5.574 1.00 0.32 C ATOM 920 O GLU A 58 4.461 12.135 -5.322 1.00 0.36 O ATOM 921 CB GLU A 58 7.431 11.013 -4.591 1.00 0.47 C ATOM 922 CG GLU A 58 7.507 12.429 -4.005 1.00 0.49 C ATOM 923 CD GLU A 58 7.418 12.364 -2.476 1.00 0.64 C ATOM 924 OE1 GLU A 58 8.453 12.207 -1.849 1.00 0.86 O ATOM 925 OE2 GLU A 58 6.318 12.478 -1.960 1.00 0.80 O ATOM 0 H GLU A 58 6.910 8.580 -4.787 1.00 0.32 H new ATOM 0 HA GLU A 58 5.585 10.735 -3.509 1.00 0.36 H new ATOM 0 HB2 GLU A 58 8.109 10.350 -4.054 1.00 0.47 H new ATOM 0 HB3 GLU A 58 7.752 11.022 -5.633 1.00 0.47 H new ATOM 0 HG2 GLU A 58 8.440 12.907 -4.304 1.00 0.49 H new ATOM 0 HG3 GLU A 58 6.695 13.040 -4.400 1.00 0.49 H new ATOM 932 N ASP A 59 5.131 10.604 -6.774 1.00 0.30 N ATOM 933 CA ASP A 59 4.302 11.189 -7.875 1.00 0.33 C ATOM 934 C ASP A 59 2.820 11.084 -7.501 1.00 0.30 C ATOM 935 O ASP A 59 2.069 12.032 -7.635 1.00 0.37 O ATOM 936 CB ASP A 59 4.556 10.419 -9.177 1.00 0.39 C ATOM 937 CG ASP A 59 6.011 10.607 -9.618 1.00 0.48 C ATOM 938 OD1 ASP A 59 6.287 11.593 -10.284 1.00 0.67 O ATOM 939 OD2 ASP A 59 6.826 9.762 -9.282 1.00 0.62 O ATOM 0 H ASP A 59 5.672 9.780 -7.035 1.00 0.30 H new ATOM 0 HA ASP A 59 4.572 12.235 -8.017 1.00 0.33 H new ATOM 0 HB2 ASP A 59 4.345 9.360 -9.030 1.00 0.39 H new ATOM 0 HB3 ASP A 59 3.882 10.773 -9.957 1.00 0.39 H new ATOM 944 N TYR A 60 2.404 9.935 -7.016 1.00 0.28 N ATOM 945 CA TYR A 60 0.976 9.746 -6.608 1.00 0.33 C ATOM 946 C TYR A 60 0.708 10.481 -5.281 1.00 0.35 C ATOM 947 O TYR A 60 -0.432 10.707 -4.918 1.00 0.44 O ATOM 948 CB TYR A 60 0.691 8.250 -6.431 1.00 0.35 C ATOM 949 CG TYR A 60 0.759 7.558 -7.774 1.00 0.34 C ATOM 950 CD1 TYR A 60 -0.144 7.904 -8.787 1.00 0.41 C ATOM 951 CD2 TYR A 60 1.724 6.570 -8.004 1.00 0.38 C ATOM 952 CE1 TYR A 60 -0.082 7.262 -10.029 1.00 0.45 C ATOM 953 CE2 TYR A 60 1.786 5.928 -9.246 1.00 0.41 C ATOM 954 CZ TYR A 60 0.883 6.275 -10.259 1.00 0.41 C ATOM 955 OH TYR A 60 0.944 5.639 -11.483 1.00 0.48 O ATOM 0 H TYR A 60 2.998 9.116 -6.885 1.00 0.28 H new ATOM 0 HA TYR A 60 0.325 10.154 -7.381 1.00 0.33 H new ATOM 0 HB2 TYR A 60 1.416 7.810 -5.747 1.00 0.35 H new ATOM 0 HB3 TYR A 60 -0.294 8.107 -5.987 1.00 0.35 H new ATOM 0 HD1 TYR A 60 -0.888 8.666 -8.610 1.00 0.41 H new ATOM 0 HD2 TYR A 60 2.421 6.303 -7.223 1.00 0.38 H new ATOM 0 HE1 TYR A 60 -0.779 7.528 -10.810 1.00 0.45 H new ATOM 0 HE2 TYR A 60 2.530 5.165 -9.423 1.00 0.41 H new ATOM 0 HH TYR A 60 0.634 6.249 -12.184 1.00 0.48 H new ATOM 965 N GLU A 61 1.756 10.848 -4.564 1.00 0.34 N ATOM 966 CA GLU A 61 1.605 11.569 -3.258 1.00 0.41 C ATOM 967 C GLU A 61 1.235 10.571 -2.152 1.00 0.38 C ATOM 968 O GLU A 61 0.148 10.603 -1.599 1.00 0.57 O ATOM 969 CB GLU A 61 0.539 12.672 -3.377 1.00 0.51 C ATOM 970 CG GLU A 61 1.036 13.944 -2.682 1.00 0.67 C ATOM 971 CD GLU A 61 2.189 14.557 -3.486 1.00 1.01 C ATOM 972 OE1 GLU A 61 1.912 15.264 -4.442 1.00 1.33 O ATOM 973 OE2 GLU A 61 3.331 14.310 -3.131 1.00 1.13 O ATOM 0 H GLU A 61 2.723 10.673 -4.838 1.00 0.34 H new ATOM 0 HA GLU A 61 2.553 12.040 -2.999 1.00 0.41 H new ATOM 0 HB2 GLU A 61 0.329 12.877 -4.427 1.00 0.51 H new ATOM 0 HB3 GLU A 61 -0.395 12.339 -2.924 1.00 0.51 H new ATOM 0 HG2 GLU A 61 0.221 14.662 -2.591 1.00 0.67 H new ATOM 0 HG3 GLU A 61 1.369 13.711 -1.671 1.00 0.67 H new ATOM 980 N VAL A 62 2.150 9.689 -1.823 1.00 0.36 N ATOM 981 CA VAL A 62 1.893 8.681 -0.749 1.00 0.34 C ATOM 982 C VAL A 62 2.747 9.037 0.474 1.00 0.36 C ATOM 983 O VAL A 62 3.965 9.016 0.417 1.00 0.48 O ATOM 984 CB VAL A 62 2.263 7.282 -1.258 1.00 0.36 C ATOM 985 CG1 VAL A 62 1.982 6.241 -0.169 1.00 0.45 C ATOM 986 CG2 VAL A 62 1.429 6.952 -2.501 1.00 0.45 C ATOM 0 H VAL A 62 3.071 9.626 -2.257 1.00 0.36 H new ATOM 0 HA VAL A 62 0.838 8.687 -0.474 1.00 0.34 H new ATOM 0 HB VAL A 62 3.323 7.263 -1.511 1.00 0.36 H new ATOM 0 HG11 VAL A 62 2.247 5.250 -0.536 1.00 0.45 H new ATOM 0 HG12 VAL A 62 2.576 6.471 0.716 1.00 0.45 H new ATOM 0 HG13 VAL A 62 0.923 6.261 0.089 1.00 0.45 H new ATOM 0 HG21 VAL A 62 1.692 5.958 -2.862 1.00 0.45 H new ATOM 0 HG22 VAL A 62 0.370 6.976 -2.245 1.00 0.45 H new ATOM 0 HG23 VAL A 62 1.631 7.687 -3.280 1.00 0.45 H new ATOM 996 N HIS A 63 2.115 9.376 1.573 1.00 0.32 N ATOM 997 CA HIS A 63 2.881 9.750 2.803 1.00 0.37 C ATOM 998 C HIS A 63 2.511 8.815 3.965 1.00 0.31 C ATOM 999 O HIS A 63 1.794 7.844 3.791 1.00 0.33 O ATOM 1000 CB HIS A 63 2.555 11.202 3.174 1.00 0.45 C ATOM 1001 CG HIS A 63 3.226 12.129 2.198 1.00 0.70 C ATOM 1002 ND1 HIS A 63 2.604 12.552 1.032 1.00 1.00 N ATOM 1003 CD2 HIS A 63 4.466 12.717 2.194 1.00 1.03 C ATOM 1004 CE1 HIS A 63 3.464 13.357 0.383 1.00 1.21 C ATOM 1005 NE2 HIS A 63 4.615 13.492 1.048 1.00 1.23 N ATOM 0 H HIS A 63 1.100 9.410 1.670 1.00 0.32 H new ATOM 0 HA HIS A 63 3.949 9.652 2.608 1.00 0.37 H new ATOM 0 HB2 HIS A 63 1.477 11.359 3.160 1.00 0.45 H new ATOM 0 HB3 HIS A 63 2.895 11.415 4.188 1.00 0.45 H new ATOM 0 HD2 HIS A 63 5.213 12.596 2.964 1.00 1.03 H new ATOM 0 HE1 HIS A 63 3.250 13.836 -0.561 1.00 1.21 H new ATOM 0 HE2 HIS A 63 5.428 14.044 0.775 1.00 1.23 H new ATOM 1013 N ASP A 64 3.008 9.099 5.147 1.00 0.32 N ATOM 1014 CA ASP A 64 2.707 8.235 6.332 1.00 0.31 C ATOM 1015 C ASP A 64 1.224 8.346 6.713 1.00 0.29 C ATOM 1016 O ASP A 64 0.612 9.393 6.578 1.00 0.34 O ATOM 1017 CB ASP A 64 3.579 8.667 7.522 1.00 0.38 C ATOM 1018 CG ASP A 64 3.234 10.105 7.936 1.00 0.47 C ATOM 1019 OD1 ASP A 64 3.760 11.021 7.323 1.00 0.65 O ATOM 1020 OD2 ASP A 64 2.454 10.263 8.861 1.00 0.55 O ATOM 0 H ASP A 64 3.613 9.897 5.341 1.00 0.32 H new ATOM 0 HA ASP A 64 2.927 7.199 6.075 1.00 0.31 H new ATOM 0 HB2 ASP A 64 3.421 7.991 8.362 1.00 0.38 H new ATOM 0 HB3 ASP A 64 4.633 8.601 7.253 1.00 0.38 H new ATOM 1025 N GLN A 65 0.655 7.265 7.196 1.00 0.30 N ATOM 1026 CA GLN A 65 -0.787 7.257 7.610 1.00 0.36 C ATOM 1027 C GLN A 65 -1.690 7.639 6.423 1.00 0.35 C ATOM 1028 O GLN A 65 -2.680 8.333 6.583 1.00 0.46 O ATOM 1029 CB GLN A 65 -0.995 8.243 8.769 1.00 0.44 C ATOM 1030 CG GLN A 65 -0.072 7.874 9.938 1.00 0.56 C ATOM 1031 CD GLN A 65 -0.498 6.527 10.531 1.00 0.74 C ATOM 1032 OE1 GLN A 65 -1.459 6.453 11.273 1.00 0.95 O ATOM 1033 NE2 GLN A 65 0.180 5.451 10.234 1.00 0.91 N ATOM 0 H GLN A 65 1.136 6.375 7.323 1.00 0.30 H new ATOM 0 HA GLN A 65 -1.055 6.253 7.938 1.00 0.36 H new ATOM 0 HB2 GLN A 65 -0.786 9.259 8.436 1.00 0.44 H new ATOM 0 HB3 GLN A 65 -2.035 8.222 9.094 1.00 0.44 H new ATOM 0 HG2 GLN A 65 0.961 7.820 9.595 1.00 0.56 H new ATOM 0 HG3 GLN A 65 -0.113 8.648 10.704 1.00 0.56 H new ATOM 0 HE21 GLN A 65 0.986 5.512 9.612 1.00 0.91 H new ATOM 0 HE22 GLN A 65 -0.097 4.550 10.624 1.00 0.91 H new ATOM 1042 N THR A 66 -1.364 7.176 5.237 1.00 0.31 N ATOM 1043 CA THR A 66 -2.207 7.495 4.041 1.00 0.31 C ATOM 1044 C THR A 66 -3.105 6.291 3.712 1.00 0.30 C ATOM 1045 O THR A 66 -2.823 5.171 4.101 1.00 0.36 O ATOM 1046 CB THR A 66 -1.300 7.828 2.842 1.00 0.34 C ATOM 1047 OG1 THR A 66 -2.072 8.458 1.829 1.00 0.42 O ATOM 1048 CG2 THR A 66 -0.671 6.551 2.282 1.00 0.33 C ATOM 0 H THR A 66 -0.550 6.591 5.047 1.00 0.31 H new ATOM 0 HA THR A 66 -2.836 8.359 4.256 1.00 0.31 H new ATOM 0 HB THR A 66 -0.506 8.497 3.173 1.00 0.34 H new ATOM 0 HG1 THR A 66 -1.489 9.015 1.272 1.00 0.42 H new ATOM 0 HG21 THR A 66 -0.032 6.801 1.435 1.00 0.33 H new ATOM 0 HG22 THR A 66 -0.074 6.069 3.057 1.00 0.33 H new ATOM 0 HG23 THR A 66 -1.458 5.871 1.955 1.00 0.33 H new ATOM 1056 N ASN A 67 -4.188 6.520 3.006 1.00 0.30 N ATOM 1057 CA ASN A 67 -5.112 5.397 2.656 1.00 0.31 C ATOM 1058 C ASN A 67 -4.877 4.954 1.207 1.00 0.27 C ATOM 1059 O ASN A 67 -4.827 5.765 0.297 1.00 0.41 O ATOM 1060 CB ASN A 67 -6.563 5.858 2.824 1.00 0.43 C ATOM 1061 CG ASN A 67 -7.458 4.643 3.082 1.00 0.73 C ATOM 1062 OD1 ASN A 67 -8.026 4.088 2.161 1.00 1.03 O ATOM 1063 ND2 ASN A 67 -7.608 4.202 4.302 1.00 0.99 N ATOM 0 H ASN A 67 -4.470 7.436 2.658 1.00 0.30 H new ATOM 0 HA ASN A 67 -4.917 4.555 3.320 1.00 0.31 H new ATOM 0 HB2 ASN A 67 -6.639 6.561 3.653 1.00 0.43 H new ATOM 0 HB3 ASN A 67 -6.895 6.384 1.929 1.00 0.43 H new ATOM 0 HD21 ASN A 67 -8.201 3.392 4.482 1.00 0.99 H new ATOM 0 HD22 ASN A 67 -7.132 4.667 5.075 1.00 0.99 H new ATOM 1070 N LEU A 68 -4.739 3.667 0.995 1.00 0.24 N ATOM 1071 CA LEU A 68 -4.512 3.136 -0.385 1.00 0.26 C ATOM 1072 C LEU A 68 -5.523 2.020 -0.676 1.00 0.23 C ATOM 1073 O LEU A 68 -5.964 1.321 0.219 1.00 0.31 O ATOM 1074 CB LEU A 68 -3.090 2.573 -0.489 1.00 0.34 C ATOM 1075 CG LEU A 68 -2.155 3.638 -1.070 1.00 0.57 C ATOM 1076 CD1 LEU A 68 -0.785 3.538 -0.396 1.00 0.84 C ATOM 1077 CD2 LEU A 68 -2.000 3.413 -2.578 1.00 1.05 C ATOM 0 H LEU A 68 -4.774 2.956 1.726 1.00 0.24 H new ATOM 0 HA LEU A 68 -4.639 3.941 -1.109 1.00 0.26 H new ATOM 0 HB2 LEU A 68 -2.738 2.264 0.495 1.00 0.34 H new ATOM 0 HB3 LEU A 68 -3.085 1.686 -1.122 1.00 0.34 H new ATOM 0 HG LEU A 68 -2.576 4.627 -0.891 1.00 0.57 H new ATOM 0 HD11 LEU A 68 -0.120 4.296 -0.810 1.00 0.84 H new ATOM 0 HD12 LEU A 68 -0.895 3.698 0.677 1.00 0.84 H new ATOM 0 HD13 LEU A 68 -0.363 2.549 -0.574 1.00 0.84 H new ATOM 0 HD21 LEU A 68 -1.335 4.170 -2.992 1.00 1.05 H new ATOM 0 HD22 LEU A 68 -1.579 2.423 -2.757 1.00 1.05 H new ATOM 0 HD23 LEU A 68 -2.976 3.485 -3.059 1.00 1.05 H new ATOM 1089 N GLU A 69 -5.889 1.847 -1.924 1.00 0.25 N ATOM 1090 CA GLU A 69 -6.866 0.773 -2.286 1.00 0.26 C ATOM 1091 C GLU A 69 -6.119 -0.414 -2.901 1.00 0.23 C ATOM 1092 O GLU A 69 -5.053 -0.260 -3.474 1.00 0.29 O ATOM 1093 CB GLU A 69 -7.881 1.321 -3.295 1.00 0.35 C ATOM 1094 CG GLU A 69 -9.304 1.019 -2.812 1.00 0.46 C ATOM 1095 CD GLU A 69 -9.942 -0.042 -3.716 1.00 0.49 C ATOM 1096 OE1 GLU A 69 -10.515 0.333 -4.724 1.00 0.74 O ATOM 1097 OE2 GLU A 69 -9.848 -1.213 -3.380 1.00 0.50 O ATOM 0 H GLU A 69 -5.552 2.405 -2.709 1.00 0.25 H new ATOM 0 HA GLU A 69 -7.391 0.444 -1.389 1.00 0.26 H new ATOM 0 HB2 GLU A 69 -7.747 2.396 -3.413 1.00 0.35 H new ATOM 0 HB3 GLU A 69 -7.715 0.870 -4.273 1.00 0.35 H new ATOM 0 HG2 GLU A 69 -9.281 0.666 -1.781 1.00 0.46 H new ATOM 0 HG3 GLU A 69 -9.903 1.929 -2.824 1.00 0.46 H new ATOM 1104 N LEU A 70 -6.672 -1.599 -2.785 1.00 0.23 N ATOM 1105 CA LEU A 70 -6.004 -2.807 -3.355 1.00 0.25 C ATOM 1106 C LEU A 70 -6.937 -3.502 -4.352 1.00 0.25 C ATOM 1107 O LEU A 70 -8.150 -3.476 -4.216 1.00 0.29 O ATOM 1108 CB LEU A 70 -5.644 -3.778 -2.221 1.00 0.28 C ATOM 1109 CG LEU A 70 -4.719 -4.884 -2.749 1.00 0.31 C ATOM 1110 CD1 LEU A 70 -3.431 -4.270 -3.309 1.00 0.36 C ATOM 1111 CD2 LEU A 70 -4.369 -5.840 -1.605 1.00 0.40 C ATOM 0 H LEU A 70 -7.561 -1.779 -2.318 1.00 0.23 H new ATOM 0 HA LEU A 70 -5.096 -2.501 -3.874 1.00 0.25 H new ATOM 0 HB2 LEU A 70 -5.153 -3.238 -1.411 1.00 0.28 H new ATOM 0 HB3 LEU A 70 -6.551 -4.218 -1.807 1.00 0.28 H new ATOM 0 HG LEU A 70 -5.230 -5.428 -3.544 1.00 0.31 H new ATOM 0 HD11 LEU A 70 -2.782 -5.063 -3.681 1.00 0.36 H new ATOM 0 HD12 LEU A 70 -3.677 -3.590 -4.124 1.00 0.36 H new ATOM 0 HD13 LEU A 70 -2.917 -3.720 -2.520 1.00 0.36 H new ATOM 0 HD21 LEU A 70 -3.712 -6.627 -1.976 1.00 0.40 H new ATOM 0 HD22 LEU A 70 -3.863 -5.289 -0.812 1.00 0.40 H new ATOM 0 HD23 LEU A 70 -5.282 -6.286 -1.211 1.00 0.40 H new ATOM 1123 N TYR A 71 -6.368 -4.125 -5.352 1.00 0.28 N ATOM 1124 CA TYR A 71 -7.182 -4.840 -6.379 1.00 0.30 C ATOM 1125 C TYR A 71 -6.389 -6.047 -6.893 1.00 0.31 C ATOM 1126 O TYR A 71 -5.171 -6.022 -6.943 1.00 0.39 O ATOM 1127 CB TYR A 71 -7.485 -3.890 -7.543 1.00 0.34 C ATOM 1128 CG TYR A 71 -8.930 -3.447 -7.479 1.00 0.44 C ATOM 1129 CD1 TYR A 71 -9.959 -4.380 -7.655 1.00 0.77 C ATOM 1130 CD2 TYR A 71 -9.238 -2.100 -7.251 1.00 0.58 C ATOM 1131 CE1 TYR A 71 -11.296 -3.967 -7.600 1.00 0.98 C ATOM 1132 CE2 TYR A 71 -10.574 -1.688 -7.198 1.00 0.78 C ATOM 1133 CZ TYR A 71 -11.603 -2.621 -7.372 1.00 0.91 C ATOM 1134 OH TYR A 71 -12.919 -2.213 -7.319 1.00 1.17 O ATOM 0 H TYR A 71 -5.360 -4.169 -5.502 1.00 0.28 H new ATOM 0 HA TYR A 71 -8.120 -5.178 -5.938 1.00 0.30 H new ATOM 0 HB2 TYR A 71 -6.827 -3.022 -7.497 1.00 0.34 H new ATOM 0 HB3 TYR A 71 -7.290 -4.389 -8.492 1.00 0.34 H new ATOM 0 HD1 TYR A 71 -9.722 -5.418 -7.833 1.00 0.77 H new ATOM 0 HD2 TYR A 71 -8.445 -1.380 -7.116 1.00 0.58 H new ATOM 0 HE1 TYR A 71 -12.090 -4.687 -7.734 1.00 0.98 H new ATOM 0 HE2 TYR A 71 -10.812 -0.649 -7.023 1.00 0.78 H new ATOM 0 HH TYR A 71 -12.956 -1.248 -7.152 1.00 1.17 H new ATOM 1144 N TYR A 72 -7.066 -7.106 -7.265 1.00 0.37 N ATOM 1145 CA TYR A 72 -6.345 -8.317 -7.762 1.00 0.40 C ATOM 1146 C TYR A 72 -6.526 -8.447 -9.276 1.00 0.49 C ATOM 1147 O TYR A 72 -7.600 -8.754 -9.763 1.00 0.64 O ATOM 1148 CB TYR A 72 -6.894 -9.562 -7.058 1.00 0.49 C ATOM 1149 CG TYR A 72 -6.663 -9.438 -5.567 1.00 0.52 C ATOM 1150 CD1 TYR A 72 -5.421 -9.007 -5.081 1.00 0.53 C ATOM 1151 CD2 TYR A 72 -7.694 -9.747 -4.671 1.00 0.72 C ATOM 1152 CE1 TYR A 72 -5.210 -8.887 -3.703 1.00 0.66 C ATOM 1153 CE2 TYR A 72 -7.483 -9.627 -3.292 1.00 0.82 C ATOM 1154 CZ TYR A 72 -6.241 -9.198 -2.809 1.00 0.76 C ATOM 1155 OH TYR A 72 -6.032 -9.078 -1.451 1.00 0.93 O ATOM 0 H TYR A 72 -8.083 -7.183 -7.246 1.00 0.37 H new ATOM 0 HA TYR A 72 -5.282 -8.220 -7.543 1.00 0.40 H new ATOM 0 HB2 TYR A 72 -7.959 -9.671 -7.265 1.00 0.49 H new ATOM 0 HB3 TYR A 72 -6.402 -10.456 -7.440 1.00 0.49 H new ATOM 0 HD1 TYR A 72 -4.626 -8.767 -5.771 1.00 0.53 H new ATOM 0 HD2 TYR A 72 -8.652 -10.078 -5.044 1.00 0.72 H new ATOM 0 HE1 TYR A 72 -4.253 -8.555 -3.330 1.00 0.66 H new ATOM 0 HE2 TYR A 72 -8.278 -9.865 -2.601 1.00 0.82 H new ATOM 0 HH TYR A 72 -5.222 -8.551 -1.290 1.00 0.93 H new ATOM 1165 N LEU A 73 -5.472 -8.212 -10.021 1.00 0.49 N ATOM 1166 CA LEU A 73 -5.551 -8.315 -11.509 1.00 0.62 C ATOM 1167 C LEU A 73 -4.143 -8.514 -12.090 1.00 0.71 C ATOM 1168 O LEU A 73 -3.270 -7.712 -11.786 1.00 0.72 O ATOM 1169 CB LEU A 73 -6.172 -7.034 -12.079 1.00 0.64 C ATOM 1170 CG LEU A 73 -7.060 -7.383 -13.277 1.00 0.86 C ATOM 1171 CD1 LEU A 73 -8.513 -7.018 -12.963 1.00 1.27 C ATOM 1172 CD2 LEU A 73 -6.591 -6.601 -14.508 1.00 1.25 C ATOM 1173 OXT LEU A 73 -3.961 -9.468 -12.829 1.00 0.87 O ATOM 0 H LEU A 73 -4.555 -7.952 -9.657 1.00 0.49 H new ATOM 0 HA LEU A 73 -6.173 -9.168 -11.780 1.00 0.62 H new ATOM 0 HB2 LEU A 73 -6.760 -6.530 -11.312 1.00 0.64 H new ATOM 0 HB3 LEU A 73 -5.387 -6.342 -12.384 1.00 0.64 H new ATOM 0 HG LEU A 73 -6.991 -8.452 -13.478 1.00 0.86 H new ATOM 0 HD11 LEU A 73 -9.143 -7.267 -13.817 1.00 1.27 H new ATOM 0 HD12 LEU A 73 -8.848 -7.577 -12.089 1.00 1.27 H new ATOM 0 HD13 LEU A 73 -8.584 -5.950 -12.759 1.00 1.27 H new ATOM 0 HD21 LEU A 73 -7.224 -6.850 -15.360 1.00 1.25 H new ATOM 0 HD22 LEU A 73 -6.658 -5.532 -14.307 1.00 1.25 H new ATOM 0 HD23 LEU A 73 -5.558 -6.864 -14.734 1.00 1.25 H new TER 1185 LEU A 73