USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 803 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: I 7 MET CE :methyl -135:sc= -10.2! (180deg=-17.2!) USER MOD Set 1.2: I 8 MET CE :methyl -121:sc= -6.75! (180deg=-7.73!) USER MOD Set 2.1: C 69 SER OG : rot -116:sc= 1.16 USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.62) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.169 USER MOD Single : C 16 GLN : amide:sc= -0.0815 X(o=-0.082,f=-0.0056) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -1.29 X(o=-1.3,f=-0.95) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 103:sc= 0.219 USER MOD Single : C 37 SER OG : rot 127:sc= -4.14! USER MOD Single : C 38 THR OG1 : rot -76:sc= -0.0246 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -113:sc= -5.83! (180deg=-8.44!) USER MOD Single : C 47 MET CE :methyl 177:sc= -0.985 (180deg=-1.02) USER MOD Single : C 50 GLN : amide:sc= -0.376 K(o=-0.38,f=-3.6!) USER MOD Single : C 51 ASN : amide:sc= -2.48! C(o=-2.5!,f=-2.1!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 58 GLN : amide:sc= -0.0696 K(o=-0.07,f=-0.71!) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl 177:sc= 0 (180deg=-0.00805) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 92:sc= 0.312 USER MOD Single : C 85 MET CE :methyl 143:sc= -0.392 (180deg=-1.85!) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 89 SER OG : rot 180:sc= 0 USER MOD Single : I 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 3 SER OG : rot 180:sc= -1.15! USER MOD Single : I 9 GLN : amide:sc= -0.0577 X(o=-0.058,f=-0.2) USER MOD Single : I 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 64.841 -18.385 16.321 1.00 0.00 N ATOM 2 CA MET C 1 63.549 -18.407 15.577 1.00 0.00 C ATOM 3 C MET C 1 62.693 -17.202 15.974 1.00 0.00 C ATOM 4 O MET C 1 61.639 -17.344 16.563 1.00 0.00 O ATOM 5 CB MET C 1 62.869 -19.710 16.001 1.00 0.00 C ATOM 6 CG MET C 1 62.919 -20.712 14.846 1.00 0.00 C ATOM 7 SD MET C 1 62.163 -22.272 15.369 1.00 0.00 S ATOM 8 CE MET C 1 63.652 -23.293 15.250 1.00 0.00 C ATOM 0 H1 MET C 1 65.415 -19.207 16.044 1.00 0.00 H new ATOM 0 H2 MET C 1 65.357 -17.511 16.095 1.00 0.00 H new ATOM 0 H3 MET C 1 64.654 -18.422 17.343 1.00 0.00 H new ATOM 0 HA MET C 1 63.692 -18.355 14.498 1.00 0.00 H new ATOM 0 HB2 MET C 1 63.368 -20.124 16.877 1.00 0.00 H new ATOM 0 HB3 MET C 1 61.834 -19.517 16.284 1.00 0.00 H new ATOM 0 HG2 MET C 1 62.392 -20.312 13.980 1.00 0.00 H new ATOM 0 HG3 MET C 1 63.952 -20.880 14.540 1.00 0.00 H new ATOM 0 HE1 MET C 1 63.414 -24.318 15.534 1.00 0.00 H new ATOM 0 HE2 MET C 1 64.023 -23.277 14.225 1.00 0.00 H new ATOM 0 HE3 MET C 1 64.417 -22.900 15.919 1.00 0.00 H new ATOM 20 N ASP C 2 63.138 -16.017 15.657 1.00 0.00 N ATOM 21 CA ASP C 2 62.349 -14.802 16.017 1.00 0.00 C ATOM 22 C ASP C 2 61.567 -14.300 14.800 1.00 0.00 C ATOM 23 O ASP C 2 61.925 -13.317 14.183 1.00 0.00 O ATOM 24 CB ASP C 2 63.390 -13.768 16.448 1.00 0.00 C ATOM 25 CG ASP C 2 63.280 -13.532 17.955 1.00 0.00 C ATOM 26 OD1 ASP C 2 63.675 -14.413 18.702 1.00 0.00 O ATOM 27 OD2 ASP C 2 62.805 -12.476 18.337 1.00 0.00 O ATOM 0 H ASP C 2 64.013 -15.836 15.165 1.00 0.00 H new ATOM 0 HA ASP C 2 61.621 -15.000 16.803 1.00 0.00 H new ATOM 0 HB2 ASP C 2 64.391 -14.117 16.196 1.00 0.00 H new ATOM 0 HB3 ASP C 2 63.234 -12.833 15.910 1.00 0.00 H new ATOM 32 N ASP C 3 60.502 -14.967 14.451 1.00 0.00 N ATOM 33 CA ASP C 3 59.700 -14.526 13.273 1.00 0.00 C ATOM 34 C ASP C 3 58.446 -13.777 13.733 1.00 0.00 C ATOM 35 O ASP C 3 57.978 -13.950 14.841 1.00 0.00 O ATOM 36 CB ASP C 3 59.318 -15.816 12.549 1.00 0.00 C ATOM 37 CG ASP C 3 59.445 -15.610 11.039 1.00 0.00 C ATOM 38 OD1 ASP C 3 58.856 -14.666 10.539 1.00 0.00 O ATOM 39 OD2 ASP C 3 60.130 -16.400 10.409 1.00 0.00 O ATOM 0 H ASP C 3 60.152 -15.797 14.929 1.00 0.00 H new ATOM 0 HA ASP C 3 60.256 -13.845 12.628 1.00 0.00 H new ATOM 0 HB2 ASP C 3 59.965 -16.632 12.871 1.00 0.00 H new ATOM 0 HB3 ASP C 3 58.297 -16.100 12.803 1.00 0.00 H new ATOM 44 N ILE C 4 57.900 -12.946 12.889 1.00 0.00 N ATOM 45 CA ILE C 4 56.677 -12.185 13.274 1.00 0.00 C ATOM 46 C ILE C 4 56.192 -11.337 12.096 1.00 0.00 C ATOM 47 O ILE C 4 55.015 -11.282 11.800 1.00 0.00 O ATOM 48 CB ILE C 4 57.113 -11.294 14.437 1.00 0.00 C ATOM 49 CG1 ILE C 4 55.997 -10.297 14.759 1.00 0.00 C ATOM 50 CG2 ILE C 4 58.381 -10.531 14.049 1.00 0.00 C ATOM 51 CD1 ILE C 4 56.434 -9.396 15.916 1.00 0.00 C ATOM 0 H ILE C 4 58.248 -12.760 11.948 1.00 0.00 H new ATOM 0 HA ILE C 4 55.852 -12.840 13.553 1.00 0.00 H new ATOM 0 HB ILE C 4 57.315 -11.911 15.312 1.00 0.00 H new ATOM 0 HG12 ILE C 4 55.770 -9.693 13.880 1.00 0.00 H new ATOM 0 HG13 ILE C 4 55.084 -10.830 15.024 1.00 0.00 H new ATOM 0 HG21 ILE C 4 58.692 -9.896 14.879 1.00 0.00 H new ATOM 0 HG22 ILE C 4 59.176 -11.240 13.818 1.00 0.00 H new ATOM 0 HG23 ILE C 4 58.180 -9.913 13.174 1.00 0.00 H new ATOM 0 HD11 ILE C 4 55.639 -8.686 16.145 1.00 0.00 H new ATOM 0 HD12 ILE C 4 56.639 -10.007 16.795 1.00 0.00 H new ATOM 0 HD13 ILE C 4 57.335 -8.852 15.633 1.00 0.00 H new ATOM 63 N TYR C 5 57.091 -10.677 11.419 1.00 0.00 N ATOM 64 CA TYR C 5 56.681 -9.837 10.257 1.00 0.00 C ATOM 65 C TYR C 5 56.869 -10.618 8.955 1.00 0.00 C ATOM 66 O TYR C 5 55.976 -10.703 8.136 1.00 0.00 O ATOM 67 CB TYR C 5 57.612 -8.624 10.293 1.00 0.00 C ATOM 68 CG TYR C 5 57.089 -7.615 11.289 1.00 0.00 C ATOM 69 CD1 TYR C 5 55.911 -6.911 11.018 1.00 0.00 C ATOM 70 CD2 TYR C 5 57.785 -7.382 12.481 1.00 0.00 C ATOM 71 CE1 TYR C 5 55.427 -5.974 11.939 1.00 0.00 C ATOM 72 CE2 TYR C 5 57.301 -6.446 13.403 1.00 0.00 C ATOM 73 CZ TYR C 5 56.122 -5.742 13.132 1.00 0.00 C ATOM 74 OH TYR C 5 55.646 -4.819 14.040 1.00 0.00 O ATOM 0 H TYR C 5 58.091 -10.683 11.620 1.00 0.00 H new ATOM 0 HA TYR C 5 55.632 -9.544 10.307 1.00 0.00 H new ATOM 0 HB2 TYR C 5 58.620 -8.934 10.569 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.677 -8.173 9.303 1.00 0.00 H new ATOM 0 HD1 TYR C 5 55.375 -7.090 10.098 1.00 0.00 H new ATOM 0 HD2 TYR C 5 58.695 -7.924 12.689 1.00 0.00 H new ATOM 0 HE1 TYR C 5 54.518 -5.430 11.729 1.00 0.00 H new ATOM 0 HE2 TYR C 5 57.837 -6.267 14.323 1.00 0.00 H new ATOM 0 HH TYR C 5 56.246 -4.781 14.814 1.00 0.00 H new ATOM 84 N LYS C 6 58.026 -11.191 8.758 1.00 0.00 N ATOM 85 CA LYS C 6 58.268 -11.967 7.507 1.00 0.00 C ATOM 86 C LYS C 6 57.122 -12.952 7.271 1.00 0.00 C ATOM 87 O LYS C 6 56.827 -13.319 6.153 1.00 0.00 O ATOM 88 CB LYS C 6 59.581 -12.713 7.750 1.00 0.00 C ATOM 89 CG LYS C 6 60.751 -11.737 7.613 1.00 0.00 C ATOM 90 CD LYS C 6 62.073 -12.496 7.746 1.00 0.00 C ATOM 91 CE LYS C 6 63.045 -12.019 6.667 1.00 0.00 C ATOM 92 NZ LYS C 6 64.306 -12.770 6.923 1.00 0.00 N ATOM 0 H LYS C 6 58.812 -11.156 9.407 1.00 0.00 H new ATOM 0 HA LYS C 6 58.323 -11.328 6.626 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.580 -13.160 8.744 1.00 0.00 H new ATOM 0 HB3 LYS C 6 59.687 -13.528 7.034 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.705 -11.233 6.648 1.00 0.00 H new ATOM 0 HG3 LYS C 6 60.685 -10.965 8.380 1.00 0.00 H new ATOM 0 HD2 LYS C 6 62.501 -12.332 8.735 1.00 0.00 H new ATOM 0 HD3 LYS C 6 61.901 -13.568 7.647 1.00 0.00 H new ATOM 0 HE2 LYS C 6 62.659 -12.225 5.669 1.00 0.00 H new ATOM 0 HE3 LYS C 6 63.207 -10.943 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 65.022 -12.495 6.221 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 64.654 -12.549 7.878 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 64.123 -13.791 6.850 1.00 0.00 H new ATOM 106 N ALA C 7 56.470 -13.377 8.319 1.00 0.00 N ATOM 107 CA ALA C 7 55.338 -14.334 8.153 1.00 0.00 C ATOM 108 C ALA C 7 54.232 -13.692 7.313 1.00 0.00 C ATOM 109 O ALA C 7 53.722 -14.284 6.383 1.00 0.00 O ATOM 110 CB ALA C 7 54.844 -14.613 9.572 1.00 0.00 C ATOM 0 H ALA C 7 56.671 -13.104 9.281 1.00 0.00 H new ATOM 0 HA ALA C 7 55.637 -15.249 7.642 1.00 0.00 H new ATOM 0 HB1 ALA C 7 54.008 -15.312 9.535 1.00 0.00 H new ATOM 0 HB2 ALA C 7 55.653 -15.046 10.160 1.00 0.00 H new ATOM 0 HB3 ALA C 7 54.518 -13.681 10.034 1.00 0.00 H new ATOM 116 N ALA C 8 53.860 -12.481 7.632 1.00 0.00 N ATOM 117 CA ALA C 8 52.791 -11.799 6.849 1.00 0.00 C ATOM 118 C ALA C 8 53.183 -11.738 5.370 1.00 0.00 C ATOM 119 O ALA C 8 52.347 -11.827 4.492 1.00 0.00 O ATOM 120 CB ALA C 8 52.704 -10.392 7.440 1.00 0.00 C ATOM 0 H ALA C 8 54.250 -11.936 8.400 1.00 0.00 H new ATOM 0 HA ALA C 8 51.837 -12.323 6.905 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.936 -9.824 6.915 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.448 -10.457 8.498 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.666 -9.891 7.329 1.00 0.00 H new ATOM 126 N VAL C 9 54.448 -11.590 5.090 1.00 0.00 N ATOM 127 CA VAL C 9 54.895 -11.527 3.670 1.00 0.00 C ATOM 128 C VAL C 9 54.601 -12.858 2.974 1.00 0.00 C ATOM 129 O VAL C 9 54.010 -12.900 1.915 1.00 0.00 O ATOM 130 CB VAL C 9 56.402 -11.282 3.738 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.939 -10.994 2.334 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.684 -10.082 4.645 1.00 0.00 C ATOM 0 H VAL C 9 55.192 -11.510 5.783 1.00 0.00 H new ATOM 0 HA VAL C 9 54.382 -10.747 3.107 1.00 0.00 H new ATOM 0 HB VAL C 9 56.894 -12.168 4.141 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.014 -10.819 2.384 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.740 -11.848 1.686 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.446 -10.109 1.930 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.759 -9.907 4.694 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.190 -9.198 4.242 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.304 -10.285 5.646 1.00 0.00 H new ATOM 142 N GLU C 10 55.012 -13.944 3.567 1.00 0.00 N ATOM 143 CA GLU C 10 54.760 -15.275 2.946 1.00 0.00 C ATOM 144 C GLU C 10 53.258 -15.476 2.718 1.00 0.00 C ATOM 145 O GLU C 10 52.846 -16.186 1.823 1.00 0.00 O ATOM 146 CB GLU C 10 55.290 -16.291 3.958 1.00 0.00 C ATOM 147 CG GLU C 10 56.339 -17.179 3.287 1.00 0.00 C ATOM 148 CD GLU C 10 55.952 -18.648 3.460 1.00 0.00 C ATOM 149 OE1 GLU C 10 54.765 -18.930 3.485 1.00 0.00 O ATOM 150 OE2 GLU C 10 56.850 -19.468 3.563 1.00 0.00 O ATOM 0 H GLU C 10 55.512 -13.968 4.456 1.00 0.00 H new ATOM 0 HA GLU C 10 55.245 -15.377 1.975 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.728 -15.775 4.812 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.471 -16.901 4.339 1.00 0.00 H new ATOM 0 HG2 GLU C 10 56.414 -16.934 2.227 1.00 0.00 H new ATOM 0 HG3 GLU C 10 57.320 -16.996 3.726 1.00 0.00 H new ATOM 157 N GLN C 11 52.439 -14.852 3.520 1.00 0.00 N ATOM 158 CA GLN C 11 50.965 -15.006 3.349 1.00 0.00 C ATOM 159 C GLN C 11 50.408 -13.848 2.516 1.00 0.00 C ATOM 160 O GLN C 11 49.229 -13.557 2.551 1.00 0.00 O ATOM 161 CB GLN C 11 50.395 -14.966 4.768 1.00 0.00 C ATOM 162 CG GLN C 11 51.118 -15.993 5.640 1.00 0.00 C ATOM 163 CD GLN C 11 51.080 -15.540 7.102 1.00 0.00 C ATOM 164 OE1 GLN C 11 51.987 -15.817 7.860 1.00 0.00 O ATOM 165 NE2 GLN C 11 50.059 -14.850 7.531 1.00 0.00 N ATOM 0 H GLN C 11 52.726 -14.242 4.286 1.00 0.00 H new ATOM 0 HA GLN C 11 50.703 -15.928 2.830 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.513 -13.968 5.190 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.326 -15.179 4.748 1.00 0.00 H new ATOM 0 HG2 GLN C 11 50.644 -16.969 5.539 1.00 0.00 H new ATOM 0 HG3 GLN C 11 52.151 -16.104 5.309 1.00 0.00 H new ATOM 0 HE21 GLN C 11 49.297 -14.617 6.894 1.00 0.00 H new ATOM 0 HE22 GLN C 11 50.023 -14.543 8.503 1.00 0.00 H new ATOM 174 N LEU C 12 51.248 -13.185 1.770 1.00 0.00 N ATOM 175 CA LEU C 12 50.766 -12.044 0.937 1.00 0.00 C ATOM 176 C LEU C 12 49.954 -12.559 -0.255 1.00 0.00 C ATOM 177 O LEU C 12 50.042 -13.712 -0.628 1.00 0.00 O ATOM 178 CB LEU C 12 52.036 -11.343 0.455 1.00 0.00 C ATOM 179 CG LEU C 12 52.448 -10.273 1.468 1.00 0.00 C ATOM 180 CD1 LEU C 12 53.694 -9.544 0.964 1.00 0.00 C ATOM 181 CD2 LEU C 12 51.305 -9.268 1.641 1.00 0.00 C ATOM 0 H LEU C 12 52.246 -13.383 1.700 1.00 0.00 H new ATOM 0 HA LEU C 12 50.114 -11.373 1.497 1.00 0.00 H new ATOM 0 HB2 LEU C 12 52.839 -12.069 0.331 1.00 0.00 H new ATOM 0 HB3 LEU C 12 51.864 -10.888 -0.520 1.00 0.00 H new ATOM 0 HG LEU C 12 52.667 -10.745 2.426 1.00 0.00 H new ATOM 0 HD11 LEU C 12 53.987 -8.782 1.686 1.00 0.00 H new ATOM 0 HD12 LEU C 12 54.508 -10.258 0.840 1.00 0.00 H new ATOM 0 HD13 LEU C 12 53.477 -9.072 0.006 1.00 0.00 H new ATOM 0 HD21 LEU C 12 51.597 -8.505 2.363 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.087 -8.797 0.683 1.00 0.00 H new ATOM 0 HD23 LEU C 12 50.416 -9.786 2.001 1.00 0.00 H new ATOM 193 N THR C 13 49.166 -11.710 -0.856 1.00 0.00 N ATOM 194 CA THR C 13 48.350 -12.146 -2.027 1.00 0.00 C ATOM 195 C THR C 13 49.116 -11.889 -3.327 1.00 0.00 C ATOM 196 O THR C 13 50.133 -11.224 -3.338 1.00 0.00 O ATOM 197 CB THR C 13 47.089 -11.284 -1.971 1.00 0.00 C ATOM 198 OG1 THR C 13 47.421 -9.939 -2.287 1.00 0.00 O ATOM 199 CG2 THR C 13 46.487 -11.346 -0.567 1.00 0.00 C ATOM 0 H THR C 13 49.051 -10.733 -0.587 1.00 0.00 H new ATOM 0 HA THR C 13 48.119 -13.211 -1.998 1.00 0.00 H new ATOM 0 HB THR C 13 46.362 -11.658 -2.692 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.613 -9.386 -2.253 1.00 0.00 H new ATOM 0 HG21 THR C 13 45.588 -10.731 -0.529 1.00 0.00 H new ATOM 0 HG22 THR C 13 46.231 -12.378 -0.326 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.212 -10.974 0.157 1.00 0.00 H new ATOM 207 N GLU C 14 48.638 -12.410 -4.423 1.00 0.00 N ATOM 208 CA GLU C 14 49.341 -12.192 -5.719 1.00 0.00 C ATOM 209 C GLU C 14 49.240 -10.722 -6.133 1.00 0.00 C ATOM 210 O GLU C 14 50.172 -10.150 -6.662 1.00 0.00 O ATOM 211 CB GLU C 14 48.609 -13.084 -6.723 1.00 0.00 C ATOM 212 CG GLU C 14 49.347 -13.059 -8.063 1.00 0.00 C ATOM 213 CD GLU C 14 50.771 -13.583 -7.873 1.00 0.00 C ATOM 214 OE1 GLU C 14 50.950 -14.473 -7.057 1.00 0.00 O ATOM 215 OE2 GLU C 14 51.659 -13.086 -8.546 1.00 0.00 O ATOM 0 H GLU C 14 47.792 -12.977 -4.478 1.00 0.00 H new ATOM 0 HA GLU C 14 50.402 -12.433 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU C 14 48.554 -14.105 -6.345 1.00 0.00 H new ATOM 0 HB3 GLU C 14 47.584 -12.737 -6.854 1.00 0.00 H new ATOM 0 HG2 GLU C 14 48.818 -13.671 -8.793 1.00 0.00 H new ATOM 0 HG3 GLU C 14 49.372 -12.043 -8.457 1.00 0.00 H new ATOM 222 N GLU C 15 48.114 -10.106 -5.896 1.00 0.00 N ATOM 223 CA GLU C 15 47.953 -8.673 -6.277 1.00 0.00 C ATOM 224 C GLU C 15 48.948 -7.803 -5.506 1.00 0.00 C ATOM 225 O GLU C 15 49.625 -6.967 -6.070 1.00 0.00 O ATOM 226 CB GLU C 15 46.518 -8.318 -5.888 1.00 0.00 C ATOM 227 CG GLU C 15 46.312 -6.808 -6.022 1.00 0.00 C ATOM 228 CD GLU C 15 44.963 -6.533 -6.689 1.00 0.00 C ATOM 229 OE1 GLU C 15 43.992 -7.154 -6.291 1.00 0.00 O ATOM 230 OE2 GLU C 15 44.924 -5.707 -7.586 1.00 0.00 O ATOM 0 H GLU C 15 47.299 -10.532 -5.455 1.00 0.00 H new ATOM 0 HA GLU C 15 48.142 -8.506 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU C 15 45.814 -8.850 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.319 -8.634 -4.864 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.346 -6.337 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU C 15 47.117 -6.372 -6.613 1.00 0.00 H new ATOM 237 N GLN C 16 49.043 -7.992 -4.218 1.00 0.00 N ATOM 238 CA GLN C 16 49.994 -7.174 -3.413 1.00 0.00 C ATOM 239 C GLN C 16 51.427 -7.384 -3.910 1.00 0.00 C ATOM 240 O GLN C 16 52.108 -6.450 -4.282 1.00 0.00 O ATOM 241 CB GLN C 16 49.843 -7.689 -1.981 1.00 0.00 C ATOM 242 CG GLN C 16 50.777 -6.907 -1.055 1.00 0.00 C ATOM 243 CD GLN C 16 49.946 -6.015 -0.131 1.00 0.00 C ATOM 244 OE1 GLN C 16 50.086 -4.808 -0.144 1.00 0.00 O ATOM 245 NE2 GLN C 16 49.079 -6.562 0.677 1.00 0.00 N ATOM 0 H GLN C 16 48.504 -8.677 -3.689 1.00 0.00 H new ATOM 0 HA GLN C 16 49.786 -6.107 -3.488 1.00 0.00 H new ATOM 0 HB2 GLN C 16 48.810 -7.578 -1.651 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.079 -8.752 -1.939 1.00 0.00 H new ATOM 0 HG2 GLN C 16 51.383 -7.595 -0.466 1.00 0.00 H new ATOM 0 HG3 GLN C 16 51.465 -6.300 -1.643 1.00 0.00 H new ATOM 0 HE21 GLN C 16 48.961 -7.575 0.688 1.00 0.00 H new ATOM 0 HE22 GLN C 16 48.519 -5.976 1.297 1.00 0.00 H new ATOM 254 N LYS C 17 51.889 -8.604 -3.917 1.00 0.00 N ATOM 255 CA LYS C 17 53.278 -8.872 -4.390 1.00 0.00 C ATOM 256 C LYS C 17 53.557 -8.098 -5.681 1.00 0.00 C ATOM 257 O LYS C 17 54.678 -7.725 -5.962 1.00 0.00 O ATOM 258 CB LYS C 17 53.320 -10.379 -4.650 1.00 0.00 C ATOM 259 CG LYS C 17 54.400 -11.019 -3.777 1.00 0.00 C ATOM 260 CD LYS C 17 53.739 -11.895 -2.711 1.00 0.00 C ATOM 261 CE LYS C 17 54.786 -12.829 -2.096 1.00 0.00 C ATOM 262 NZ LYS C 17 54.652 -14.120 -2.833 1.00 0.00 N ATOM 0 H LYS C 17 51.366 -9.427 -3.616 1.00 0.00 H new ATOM 0 HA LYS C 17 54.030 -8.560 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS C 17 52.349 -10.824 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.528 -10.571 -5.703 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.071 -11.619 -4.391 1.00 0.00 H new ATOM 0 HG3 LYS C 17 55.006 -10.246 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS C 17 53.294 -11.270 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS C 17 52.931 -12.478 -3.154 1.00 0.00 H new ATOM 0 HE2 LYS C 17 55.790 -12.418 -2.204 1.00 0.00 H new ATOM 0 HE3 LYS C 17 54.611 -12.966 -1.029 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 55.341 -14.805 -2.461 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 53.690 -14.493 -2.707 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 54.832 -13.962 -3.845 1.00 0.00 H new ATOM 276 N ASN C 18 52.546 -7.862 -6.471 1.00 0.00 N ATOM 277 CA ASN C 18 52.753 -7.118 -7.748 1.00 0.00 C ATOM 278 C ASN C 18 52.933 -5.620 -7.482 1.00 0.00 C ATOM 279 O ASN C 18 53.538 -4.913 -8.263 1.00 0.00 O ATOM 280 CB ASN C 18 51.482 -7.369 -8.560 1.00 0.00 C ATOM 281 CG ASN C 18 51.560 -8.747 -9.219 1.00 0.00 C ATOM 282 OD1 ASN C 18 52.570 -9.101 -9.794 1.00 0.00 O ATOM 283 ND2 ASN C 18 50.530 -9.546 -9.157 1.00 0.00 N ATOM 0 H ASN C 18 51.585 -8.152 -6.289 1.00 0.00 H new ATOM 0 HA ASN C 18 53.650 -7.449 -8.272 1.00 0.00 H new ATOM 0 HB2 ASN C 18 50.607 -7.313 -7.912 1.00 0.00 H new ATOM 0 HB3 ASN C 18 51.365 -6.597 -9.320 1.00 0.00 H new ATOM 0 HD21 ASN C 18 50.573 -10.468 -9.591 1.00 0.00 H new ATOM 0 HD22 ASN C 18 49.682 -9.249 -8.674 1.00 0.00 H new ATOM 290 N GLU C 19 52.409 -5.126 -6.393 1.00 0.00 N ATOM 291 CA GLU C 19 52.552 -3.670 -6.095 1.00 0.00 C ATOM 292 C GLU C 19 53.888 -3.393 -5.400 1.00 0.00 C ATOM 293 O GLU C 19 54.387 -2.286 -5.413 1.00 0.00 O ATOM 294 CB GLU C 19 51.379 -3.332 -5.172 1.00 0.00 C ATOM 295 CG GLU C 19 51.616 -3.931 -3.784 1.00 0.00 C ATOM 296 CD GLU C 19 51.657 -2.808 -2.746 1.00 0.00 C ATOM 297 OE1 GLU C 19 50.672 -2.097 -2.633 1.00 0.00 O ATOM 298 OE2 GLU C 19 52.672 -2.679 -2.081 1.00 0.00 O ATOM 0 H GLU C 19 51.890 -5.664 -5.699 1.00 0.00 H new ATOM 0 HA GLU C 19 52.541 -3.064 -7.001 1.00 0.00 H new ATOM 0 HB2 GLU C 19 51.265 -2.251 -5.096 1.00 0.00 H new ATOM 0 HB3 GLU C 19 50.451 -3.721 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU C 19 50.822 -4.637 -3.540 1.00 0.00 H new ATOM 0 HG3 GLU C 19 52.553 -4.487 -3.771 1.00 0.00 H new ATOM 305 N PHE C 20 54.471 -4.391 -4.798 1.00 0.00 N ATOM 306 CA PHE C 20 55.775 -4.183 -4.105 1.00 0.00 C ATOM 307 C PHE C 20 56.902 -4.067 -5.134 1.00 0.00 C ATOM 308 O PHE C 20 57.732 -3.182 -5.065 1.00 0.00 O ATOM 309 CB PHE C 20 55.965 -5.426 -3.237 1.00 0.00 C ATOM 310 CG PHE C 20 55.444 -5.156 -1.846 1.00 0.00 C ATOM 311 CD1 PHE C 20 56.076 -4.205 -1.035 1.00 0.00 C ATOM 312 CD2 PHE C 20 54.328 -5.854 -1.367 1.00 0.00 C ATOM 313 CE1 PHE C 20 55.592 -3.953 0.255 1.00 0.00 C ATOM 314 CE2 PHE C 20 53.846 -5.602 -0.076 1.00 0.00 C ATOM 315 CZ PHE C 20 54.478 -4.651 0.733 1.00 0.00 C ATOM 0 H PHE C 20 54.103 -5.341 -4.755 1.00 0.00 H new ATOM 0 HA PHE C 20 55.789 -3.269 -3.512 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.437 -6.273 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE C 20 57.020 -5.695 -3.195 1.00 0.00 H new ATOM 0 HD1 PHE C 20 56.936 -3.666 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE C 20 53.839 -6.586 -1.993 1.00 0.00 H new ATOM 0 HE1 PHE C 20 56.079 -3.220 0.881 1.00 0.00 H new ATOM 0 HE2 PHE C 20 52.987 -6.141 0.295 1.00 0.00 H new ATOM 0 HZ PHE C 20 54.105 -4.456 1.728 1.00 0.00 H new ATOM 325 N LYS C 21 56.937 -4.954 -6.089 1.00 0.00 N ATOM 326 CA LYS C 21 58.007 -4.898 -7.125 1.00 0.00 C ATOM 327 C LYS C 21 58.118 -3.479 -7.693 1.00 0.00 C ATOM 328 O LYS C 21 59.194 -2.999 -7.987 1.00 0.00 O ATOM 329 CB LYS C 21 57.555 -5.874 -8.213 1.00 0.00 C ATOM 330 CG LYS C 21 58.214 -7.235 -7.986 1.00 0.00 C ATOM 331 CD LYS C 21 57.143 -8.270 -7.638 1.00 0.00 C ATOM 332 CE LYS C 21 57.450 -9.585 -8.359 1.00 0.00 C ATOM 333 NZ LYS C 21 56.260 -9.841 -9.217 1.00 0.00 N ATOM 0 H LYS C 21 56.269 -5.717 -6.197 1.00 0.00 H new ATOM 0 HA LYS C 21 58.986 -5.159 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.470 -5.977 -8.196 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.823 -5.488 -9.196 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.755 -7.543 -8.881 1.00 0.00 H new ATOM 0 HG3 LYS C 21 58.944 -7.167 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS C 21 57.115 -8.432 -6.560 1.00 0.00 H new ATOM 0 HD3 LYS C 21 56.159 -7.903 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS C 21 58.358 -9.505 -8.957 1.00 0.00 H new ATOM 0 HE3 LYS C 21 57.607 -10.397 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 56.396 -10.727 -9.744 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 55.412 -9.920 -8.620 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 56.140 -9.055 -9.887 1.00 0.00 H new ATOM 347 N ALA C 22 57.010 -2.808 -7.849 1.00 0.00 N ATOM 348 CA ALA C 22 57.045 -1.423 -8.402 1.00 0.00 C ATOM 349 C ALA C 22 57.899 -0.514 -7.513 1.00 0.00 C ATOM 350 O ALA C 22 58.874 0.062 -7.954 1.00 0.00 O ATOM 351 CB ALA C 22 55.587 -0.962 -8.397 1.00 0.00 C ATOM 0 H ALA C 22 56.081 -3.159 -7.617 1.00 0.00 H new ATOM 0 HA ALA C 22 57.483 -1.388 -9.399 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.525 0.052 -8.791 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.992 -1.630 -9.020 1.00 0.00 H new ATOM 0 HB3 ALA C 22 55.203 -0.979 -7.377 1.00 0.00 H new ATOM 357 N ALA C 23 57.539 -0.375 -6.267 1.00 0.00 N ATOM 358 CA ALA C 23 58.331 0.502 -5.355 1.00 0.00 C ATOM 359 C ALA C 23 59.802 0.076 -5.348 1.00 0.00 C ATOM 360 O ALA C 23 60.696 0.891 -5.462 1.00 0.00 O ATOM 361 CB ALA C 23 57.708 0.300 -3.973 1.00 0.00 C ATOM 0 H ALA C 23 56.732 -0.830 -5.840 1.00 0.00 H new ATOM 0 HA ALA C 23 58.307 1.546 -5.666 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.236 0.913 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.658 0.592 -4.001 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.785 -0.750 -3.689 1.00 0.00 H new ATOM 367 N PHE C 24 60.058 -1.196 -5.212 1.00 0.00 N ATOM 368 CA PHE C 24 61.469 -1.678 -5.194 1.00 0.00 C ATOM 369 C PHE C 24 62.213 -1.206 -6.447 1.00 0.00 C ATOM 370 O PHE C 24 63.331 -0.735 -6.378 1.00 0.00 O ATOM 371 CB PHE C 24 61.362 -3.203 -5.178 1.00 0.00 C ATOM 372 CG PHE C 24 62.726 -3.809 -5.406 1.00 0.00 C ATOM 373 CD1 PHE C 24 63.243 -3.900 -6.705 1.00 0.00 C ATOM 374 CD2 PHE C 24 63.472 -4.283 -4.322 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.507 -4.463 -6.917 1.00 0.00 C ATOM 376 CE2 PHE C 24 64.737 -4.846 -4.534 1.00 0.00 C ATOM 377 CZ PHE C 24 65.254 -4.936 -5.832 1.00 0.00 C ATOM 0 H PHE C 24 59.350 -1.924 -5.112 1.00 0.00 H new ATOM 0 HA PHE C 24 62.024 -1.295 -4.337 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.959 -3.539 -4.223 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.671 -3.537 -5.951 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.667 -3.536 -7.543 1.00 0.00 H new ATOM 0 HD2 PHE C 24 63.072 -4.215 -3.321 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.906 -4.532 -7.918 1.00 0.00 H new ATOM 0 HE2 PHE C 24 65.313 -5.211 -3.697 1.00 0.00 H new ATOM 0 HZ PHE C 24 66.229 -5.370 -5.996 1.00 0.00 H new ATOM 387 N ASP C 25 61.604 -1.336 -7.594 1.00 0.00 N ATOM 388 CA ASP C 25 62.277 -0.903 -8.854 1.00 0.00 C ATOM 389 C ASP C 25 62.643 0.583 -8.790 1.00 0.00 C ATOM 390 O ASP C 25 63.746 0.975 -9.116 1.00 0.00 O ATOM 391 CB ASP C 25 61.245 -1.150 -9.955 1.00 0.00 C ATOM 392 CG ASP C 25 61.373 -2.589 -10.460 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.425 -3.173 -10.264 1.00 0.00 O ATOM 394 OD2 ASP C 25 60.416 -3.081 -11.034 1.00 0.00 O ATOM 0 H ASP C 25 60.668 -1.724 -7.714 1.00 0.00 H new ATOM 0 HA ASP C 25 63.206 -1.446 -9.028 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.240 -0.976 -9.572 1.00 0.00 H new ATOM 0 HB3 ASP C 25 61.399 -0.450 -10.776 1.00 0.00 H new ATOM 399 N ILE C 26 61.725 1.415 -8.378 1.00 0.00 N ATOM 400 CA ILE C 26 62.018 2.876 -8.301 1.00 0.00 C ATOM 401 C ILE C 26 63.047 3.158 -7.201 1.00 0.00 C ATOM 402 O ILE C 26 63.883 4.031 -7.330 1.00 0.00 O ATOM 403 CB ILE C 26 60.674 3.530 -7.968 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.825 3.630 -9.239 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.906 4.936 -7.407 1.00 0.00 C ATOM 406 CD1 ILE C 26 59.050 2.326 -9.445 1.00 0.00 C ATOM 0 H ILE C 26 60.784 1.146 -8.091 1.00 0.00 H new ATOM 0 HA ILE C 26 62.441 3.262 -9.229 1.00 0.00 H new ATOM 0 HB ILE C 26 60.156 2.923 -7.225 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.132 4.468 -9.160 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.464 3.825 -10.100 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.947 5.397 -7.172 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.509 4.871 -6.501 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.428 5.542 -8.148 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.447 2.400 -10.350 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.751 1.498 -9.543 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.399 2.150 -8.589 1.00 0.00 H new ATOM 418 N PHE C 27 62.990 2.433 -6.119 1.00 0.00 N ATOM 419 CA PHE C 27 63.963 2.668 -5.012 1.00 0.00 C ATOM 420 C PHE C 27 65.363 2.197 -5.415 1.00 0.00 C ATOM 421 O PHE C 27 66.338 2.484 -4.750 1.00 0.00 O ATOM 422 CB PHE C 27 63.433 1.844 -3.839 1.00 0.00 C ATOM 423 CG PHE C 27 62.564 2.715 -2.960 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.916 3.835 -3.498 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.407 2.403 -1.604 1.00 0.00 C ATOM 426 CE1 PHE C 27 61.114 4.641 -2.683 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.603 3.209 -0.787 1.00 0.00 C ATOM 428 CZ PHE C 27 60.957 4.327 -1.327 1.00 0.00 C ATOM 0 H PHE C 27 62.313 1.688 -5.952 1.00 0.00 H new ATOM 0 HA PHE C 27 64.052 3.725 -4.762 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.859 0.994 -4.208 1.00 0.00 H new ATOM 0 HB3 PHE C 27 64.264 1.440 -3.260 1.00 0.00 H new ATOM 0 HD1 PHE C 27 62.036 4.076 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.906 1.540 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE C 27 60.616 5.505 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.482 2.968 0.259 1.00 0.00 H new ATOM 0 HZ PHE C 27 60.337 4.948 -0.698 1.00 0.00 H new ATOM 438 N VAL C 28 65.473 1.474 -6.496 1.00 0.00 N ATOM 439 CA VAL C 28 66.810 0.989 -6.933 1.00 0.00 C ATOM 440 C VAL C 28 67.035 1.317 -8.412 1.00 0.00 C ATOM 441 O VAL C 28 67.765 0.637 -9.104 1.00 0.00 O ATOM 442 CB VAL C 28 66.762 -0.521 -6.720 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.251 -0.825 -5.311 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.824 -1.152 -7.751 1.00 0.00 C ATOM 0 H VAL C 28 64.694 1.199 -7.094 1.00 0.00 H new ATOM 0 HA VAL C 28 67.624 1.456 -6.379 1.00 0.00 H new ATOM 0 HB VAL C 28 67.763 -0.935 -6.838 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.218 -1.904 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.921 -0.377 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.250 -0.411 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.789 -2.231 -7.599 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.823 -0.737 -7.634 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.191 -0.938 -8.755 1.00 0.00 H new ATOM 454 N LEU C 29 66.414 2.355 -8.899 1.00 0.00 N ATOM 455 CA LEU C 29 66.593 2.727 -10.332 1.00 0.00 C ATOM 456 C LEU C 29 68.068 3.015 -10.625 1.00 0.00 C ATOM 457 O LEU C 29 68.524 4.135 -10.517 1.00 0.00 O ATOM 458 CB LEU C 29 65.754 3.991 -10.521 1.00 0.00 C ATOM 459 CG LEU C 29 64.844 3.822 -11.739 1.00 0.00 C ATOM 460 CD1 LEU C 29 64.075 5.122 -11.987 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.695 3.493 -12.968 1.00 0.00 C ATOM 0 H LEU C 29 65.790 2.962 -8.368 1.00 0.00 H new ATOM 0 HA LEU C 29 66.285 1.928 -11.006 1.00 0.00 H new ATOM 0 HB2 LEU C 29 65.155 4.180 -9.630 1.00 0.00 H new ATOM 0 HB3 LEU C 29 66.404 4.855 -10.657 1.00 0.00 H new ATOM 0 HG LEU C 29 64.139 3.012 -11.555 1.00 0.00 H new ATOM 0 HD11 LEU C 29 63.427 5.001 -12.855 1.00 0.00 H new ATOM 0 HD12 LEU C 29 63.470 5.359 -11.112 1.00 0.00 H new ATOM 0 HD13 LEU C 29 64.780 5.933 -12.171 1.00 0.00 H new ATOM 0 HD21 LEU C 29 65.048 3.372 -13.837 1.00 0.00 H new ATOM 0 HD22 LEU C 29 66.400 4.304 -13.150 1.00 0.00 H new ATOM 0 HD23 LEU C 29 66.244 2.568 -12.793 1.00 0.00 H new ATOM 473 N GLY C 30 68.816 2.011 -10.993 1.00 0.00 N ATOM 474 CA GLY C 30 70.260 2.229 -11.292 1.00 0.00 C ATOM 475 C GLY C 30 71.116 1.463 -10.281 1.00 0.00 C ATOM 476 O GLY C 30 72.329 1.495 -10.333 1.00 0.00 O ATOM 0 H GLY C 30 68.490 1.050 -11.099 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.487 1.893 -12.304 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.494 3.293 -11.249 1.00 0.00 H new ATOM 480 N ALA C 31 70.496 0.775 -9.360 1.00 0.00 N ATOM 481 CA ALA C 31 71.277 0.009 -8.347 1.00 0.00 C ATOM 482 C ALA C 31 72.058 -1.121 -9.023 1.00 0.00 C ATOM 483 O ALA C 31 71.683 -1.608 -10.071 1.00 0.00 O ATOM 484 CB ALA C 31 70.231 -0.561 -7.388 1.00 0.00 C ATOM 0 H ALA C 31 69.482 0.711 -9.266 1.00 0.00 H new ATOM 0 HA ALA C 31 72.006 0.633 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.728 -1.140 -6.610 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.673 0.256 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.546 -1.206 -7.938 1.00 0.00 H new ATOM 490 N GLU C 32 73.140 -1.544 -8.429 1.00 0.00 N ATOM 491 CA GLU C 32 73.943 -2.644 -9.037 1.00 0.00 C ATOM 492 C GLU C 32 73.552 -3.987 -8.414 1.00 0.00 C ATOM 493 O GLU C 32 73.216 -4.928 -9.103 1.00 0.00 O ATOM 494 CB GLU C 32 75.397 -2.304 -8.707 1.00 0.00 C ATOM 495 CG GLU C 32 75.917 -1.260 -9.699 1.00 0.00 C ATOM 496 CD GLU C 32 77.140 -1.816 -10.430 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.950 -2.461 -9.785 1.00 0.00 O ATOM 498 OE2 GLU C 32 77.246 -1.587 -11.624 1.00 0.00 O ATOM 0 H GLU C 32 73.503 -1.176 -7.550 1.00 0.00 H new ATOM 0 HA GLU C 32 73.779 -2.730 -10.111 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.470 -1.921 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU C 32 76.011 -3.203 -8.754 1.00 0.00 H new ATOM 0 HG2 GLU C 32 75.137 -1.004 -10.416 1.00 0.00 H new ATOM 0 HG3 GLU C 32 76.180 -0.342 -9.173 1.00 0.00 H new ATOM 505 N ASP C 33 73.593 -4.080 -7.112 1.00 0.00 N ATOM 506 CA ASP C 33 73.224 -5.362 -6.446 1.00 0.00 C ATOM 507 C ASP C 33 71.725 -5.383 -6.133 1.00 0.00 C ATOM 508 O ASP C 33 71.249 -6.206 -5.376 1.00 0.00 O ATOM 509 CB ASP C 33 74.043 -5.391 -5.156 1.00 0.00 C ATOM 510 CG ASP C 33 73.805 -6.717 -4.429 1.00 0.00 C ATOM 511 OD1 ASP C 33 72.871 -6.782 -3.648 1.00 0.00 O ATOM 512 OD2 ASP C 33 74.561 -7.644 -4.669 1.00 0.00 O ATOM 0 H ASP C 33 73.865 -3.325 -6.482 1.00 0.00 H new ATOM 0 HA ASP C 33 73.429 -6.228 -7.076 1.00 0.00 H new ATOM 0 HB2 ASP C 33 75.103 -5.274 -5.383 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.760 -4.557 -4.514 1.00 0.00 H new ATOM 517 N GLY C 34 70.974 -4.484 -6.711 1.00 0.00 N ATOM 518 CA GLY C 34 69.506 -4.452 -6.448 1.00 0.00 C ATOM 519 C GLY C 34 69.251 -4.084 -4.986 1.00 0.00 C ATOM 520 O GLY C 34 68.505 -4.748 -4.291 1.00 0.00 O ATOM 0 H GLY C 34 71.314 -3.770 -7.355 1.00 0.00 H new ATOM 0 HA2 GLY C 34 69.025 -3.727 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.066 -5.424 -6.670 1.00 0.00 H new ATOM 524 N CYS C 35 69.859 -3.033 -4.510 1.00 0.00 N ATOM 525 CA CYS C 35 69.646 -2.628 -3.091 1.00 0.00 C ATOM 526 C CYS C 35 69.327 -1.132 -3.012 1.00 0.00 C ATOM 527 O CYS C 35 69.394 -0.421 -3.995 1.00 0.00 O ATOM 528 CB CYS C 35 70.968 -2.933 -2.388 1.00 0.00 C ATOM 529 SG CYS C 35 71.229 -4.724 -2.345 1.00 0.00 S ATOM 0 H CYS C 35 70.494 -2.437 -5.041 1.00 0.00 H new ATOM 0 HA CYS C 35 68.811 -3.156 -2.631 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.791 -2.447 -2.912 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.954 -2.532 -1.374 1.00 0.00 H new ATOM 0 HG CYS C 35 72.095 -5.058 -3.255 1.00 0.00 H new ATOM 535 N ILE C 36 68.982 -0.649 -1.851 1.00 0.00 N ATOM 536 CA ILE C 36 68.659 0.801 -1.715 1.00 0.00 C ATOM 537 C ILE C 36 69.607 1.465 -0.712 1.00 0.00 C ATOM 538 O ILE C 36 70.226 0.811 0.103 1.00 0.00 O ATOM 539 CB ILE C 36 67.221 0.844 -1.201 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.300 0.143 -2.202 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.781 2.300 -1.039 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.943 -0.121 -1.547 1.00 0.00 C ATOM 0 H ILE C 36 68.909 -1.193 -0.991 1.00 0.00 H new ATOM 0 HA ILE C 36 68.770 1.336 -2.658 1.00 0.00 H new ATOM 0 HB ILE C 36 67.165 0.337 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE C 36 66.173 0.761 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.747 -0.796 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.755 2.331 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.436 2.801 -0.327 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.838 2.807 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.286 -0.620 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.079 -0.756 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.496 0.825 -1.243 1.00 0.00 H new ATOM 554 N SER C 37 69.724 2.762 -0.773 1.00 0.00 N ATOM 555 CA SER C 37 70.630 3.482 0.167 1.00 0.00 C ATOM 556 C SER C 37 70.203 4.943 0.275 1.00 0.00 C ATOM 557 O SER C 37 71.018 5.831 0.405 1.00 0.00 O ATOM 558 CB SER C 37 72.003 3.388 -0.475 1.00 0.00 C ATOM 559 OG SER C 37 72.703 2.274 0.063 1.00 0.00 O ATOM 0 H SER C 37 69.229 3.358 -1.437 1.00 0.00 H new ATOM 0 HA SER C 37 70.613 3.060 1.172 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.904 3.282 -1.555 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.564 4.305 -0.295 1.00 0.00 H new ATOM 0 HG SER C 37 73.021 1.704 -0.668 1.00 0.00 H new ATOM 565 N THR C 38 68.926 5.185 0.204 1.00 0.00 N ATOM 566 CA THR C 38 68.385 6.582 0.280 1.00 0.00 C ATOM 567 C THR C 38 68.676 7.323 -1.028 1.00 0.00 C ATOM 568 O THR C 38 67.792 7.893 -1.635 1.00 0.00 O ATOM 569 CB THR C 38 69.082 7.278 1.464 1.00 0.00 C ATOM 570 OG1 THR C 38 70.283 7.893 1.020 1.00 0.00 O ATOM 571 CG2 THR C 38 69.396 6.265 2.571 1.00 0.00 C ATOM 0 H THR C 38 68.214 4.463 0.094 1.00 0.00 H new ATOM 0 HA THR C 38 67.305 6.577 0.427 1.00 0.00 H new ATOM 0 HB THR C 38 68.413 8.039 1.866 1.00 0.00 H new ATOM 0 HG1 THR C 38 70.971 7.208 0.884 1.00 0.00 H new ATOM 0 HG21 THR C 38 69.888 6.773 3.400 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.469 5.811 2.922 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.054 5.490 2.179 1.00 0.00 H new ATOM 579 N LYS C 39 69.902 7.312 -1.481 1.00 0.00 N ATOM 580 CA LYS C 39 70.220 8.010 -2.759 1.00 0.00 C ATOM 581 C LYS C 39 69.176 7.633 -3.815 1.00 0.00 C ATOM 582 O LYS C 39 68.783 8.441 -4.631 1.00 0.00 O ATOM 583 CB LYS C 39 71.610 7.507 -3.156 1.00 0.00 C ATOM 584 CG LYS C 39 71.532 6.031 -3.543 1.00 0.00 C ATOM 585 CD LYS C 39 72.924 5.402 -3.447 1.00 0.00 C ATOM 586 CE LYS C 39 73.155 4.485 -4.650 1.00 0.00 C ATOM 587 NZ LYS C 39 74.174 3.500 -4.193 1.00 0.00 N ATOM 0 H LYS C 39 70.691 6.853 -1.025 1.00 0.00 H new ATOM 0 HA LYS C 39 70.206 9.096 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.994 8.092 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS C 39 72.306 7.639 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS C 39 70.839 5.508 -2.884 1.00 0.00 H new ATOM 0 HG3 LYS C 39 71.145 5.930 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS C 39 73.686 6.181 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.015 4.834 -2.521 1.00 0.00 H new ATOM 0 HE2 LYS C 39 72.233 3.988 -4.950 1.00 0.00 H new ATOM 0 HE3 LYS C 39 73.510 5.048 -5.513 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 74.385 2.836 -4.965 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 75.043 4.001 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 73.806 2.974 -3.375 1.00 0.00 H new ATOM 601 N GLU C 40 68.710 6.411 -3.787 1.00 0.00 N ATOM 602 CA GLU C 40 67.675 5.980 -4.771 1.00 0.00 C ATOM 603 C GLU C 40 66.286 6.190 -4.166 1.00 0.00 C ATOM 604 O GLU C 40 65.332 6.501 -4.852 1.00 0.00 O ATOM 605 CB GLU C 40 67.925 4.487 -4.996 1.00 0.00 C ATOM 606 CG GLU C 40 69.387 4.258 -5.378 1.00 0.00 C ATOM 607 CD GLU C 40 69.751 5.157 -6.562 1.00 0.00 C ATOM 608 OE1 GLU C 40 68.870 5.445 -7.354 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.905 5.541 -6.655 1.00 0.00 O ATOM 0 H GLU C 40 69.002 5.693 -3.124 1.00 0.00 H new ATOM 0 HA GLU C 40 67.727 6.543 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.684 3.928 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.271 4.114 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU C 40 70.035 4.477 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.546 3.212 -5.639 1.00 0.00 H new ATOM 616 N LEU C 41 66.175 6.016 -2.879 1.00 0.00 N ATOM 617 CA LEU C 41 64.862 6.192 -2.201 1.00 0.00 C ATOM 618 C LEU C 41 64.515 7.686 -2.098 1.00 0.00 C ATOM 619 O LEU C 41 63.419 8.100 -2.422 1.00 0.00 O ATOM 620 CB LEU C 41 65.070 5.542 -0.818 1.00 0.00 C ATOM 621 CG LEU C 41 64.498 6.417 0.302 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.016 6.670 0.044 1.00 0.00 C ATOM 623 CD2 LEU C 41 64.664 5.699 1.644 1.00 0.00 C ATOM 0 H LEU C 41 66.945 5.757 -2.263 1.00 0.00 H new ATOM 0 HA LEU C 41 64.029 5.737 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU C 41 64.590 4.563 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU C 41 66.134 5.379 -0.647 1.00 0.00 H new ATOM 0 HG LEU C 41 65.031 7.368 0.328 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.609 7.293 0.841 1.00 0.00 H new ATOM 0 HD12 LEU C 41 62.895 7.179 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.484 5.719 0.019 1.00 0.00 H new ATOM 0 HD21 LEU C 41 64.257 6.320 2.442 1.00 0.00 H new ATOM 0 HD22 LEU C 41 64.131 4.749 1.617 1.00 0.00 H new ATOM 0 HD23 LEU C 41 65.722 5.516 1.830 1.00 0.00 H new ATOM 635 N GLY C 42 65.435 8.492 -1.647 1.00 0.00 N ATOM 636 CA GLY C 42 65.153 9.952 -1.521 1.00 0.00 C ATOM 637 C GLY C 42 64.591 10.488 -2.840 1.00 0.00 C ATOM 638 O GLY C 42 63.667 11.278 -2.856 1.00 0.00 O ATOM 0 H GLY C 42 66.371 8.204 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.441 10.126 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY C 42 66.066 10.487 -1.260 1.00 0.00 H new ATOM 642 N LYS C 43 65.141 10.069 -3.946 1.00 0.00 N ATOM 643 CA LYS C 43 64.640 10.560 -5.264 1.00 0.00 C ATOM 644 C LYS C 43 63.108 10.549 -5.299 1.00 0.00 C ATOM 645 O LYS C 43 62.491 11.302 -6.026 1.00 0.00 O ATOM 646 CB LYS C 43 65.205 9.575 -6.290 1.00 0.00 C ATOM 647 CG LYS C 43 66.453 10.172 -6.946 1.00 0.00 C ATOM 648 CD LYS C 43 66.864 9.310 -8.137 1.00 0.00 C ATOM 649 CE LYS C 43 68.383 9.376 -8.323 1.00 0.00 C ATOM 650 NZ LYS C 43 68.642 8.741 -9.647 1.00 0.00 N ATOM 0 H LYS C 43 65.916 9.408 -3.996 1.00 0.00 H new ATOM 0 HA LYS C 43 64.949 11.586 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.454 8.632 -5.804 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.454 9.354 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS C 43 66.252 11.192 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS C 43 67.267 10.224 -6.223 1.00 0.00 H new ATOM 0 HD2 LYS C 43 66.552 8.278 -7.976 1.00 0.00 H new ATOM 0 HD3 LYS C 43 66.362 9.657 -9.040 1.00 0.00 H new ATOM 0 HE2 LYS C 43 68.738 10.406 -8.304 1.00 0.00 H new ATOM 0 HE3 LYS C 43 68.901 8.846 -7.524 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 69.663 8.750 -9.843 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 68.301 7.759 -9.634 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 68.143 9.271 -10.390 1.00 0.00 H new ATOM 664 N VAL C 44 62.490 9.696 -4.528 1.00 0.00 N ATOM 665 CA VAL C 44 60.998 9.634 -4.527 1.00 0.00 C ATOM 666 C VAL C 44 60.412 10.653 -3.541 1.00 0.00 C ATOM 667 O VAL C 44 59.360 11.216 -3.773 1.00 0.00 O ATOM 668 CB VAL C 44 60.668 8.200 -4.094 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.268 8.142 -3.472 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.715 7.278 -5.315 1.00 0.00 C ATOM 0 H VAL C 44 62.952 9.039 -3.899 1.00 0.00 H new ATOM 0 HA VAL C 44 60.574 9.876 -5.502 1.00 0.00 H new ATOM 0 HB VAL C 44 61.400 7.877 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL C 44 59.047 7.119 -3.169 1.00 0.00 H new ATOM 0 HG12 VAL C 44 59.230 8.795 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.531 8.471 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.481 6.258 -5.010 1.00 0.00 H new ATOM 0 HG22 VAL C 44 59.985 7.613 -6.052 1.00 0.00 H new ATOM 0 HG23 VAL C 44 61.713 7.306 -5.754 1.00 0.00 H new ATOM 680 N MET C 45 61.072 10.877 -2.437 1.00 0.00 N ATOM 681 CA MET C 45 60.542 11.844 -1.429 1.00 0.00 C ATOM 682 C MET C 45 59.949 13.074 -2.121 1.00 0.00 C ATOM 683 O MET C 45 58.803 13.421 -1.914 1.00 0.00 O ATOM 684 CB MET C 45 61.750 12.234 -0.581 1.00 0.00 C ATOM 685 CG MET C 45 62.229 11.014 0.209 1.00 0.00 C ATOM 686 SD MET C 45 60.877 10.394 1.243 1.00 0.00 S ATOM 687 CE MET C 45 60.240 9.158 0.082 1.00 0.00 C ATOM 0 H MET C 45 61.956 10.433 -2.188 1.00 0.00 H new ATOM 0 HA MET C 45 59.743 11.410 -0.827 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.552 12.606 -1.219 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.484 13.042 0.101 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.565 10.234 -0.474 1.00 0.00 H new ATOM 0 HG3 MET C 45 63.083 11.283 0.831 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.248 9.455 -0.257 1.00 0.00 H new ATOM 0 HE2 MET C 45 60.910 9.085 -0.775 1.00 0.00 H new ATOM 0 HE3 MET C 45 60.179 8.190 0.579 1.00 0.00 H new ATOM 697 N ARG C 46 60.717 13.735 -2.941 1.00 0.00 N ATOM 698 CA ARG C 46 60.190 14.939 -3.643 1.00 0.00 C ATOM 699 C ARG C 46 59.111 14.534 -4.651 1.00 0.00 C ATOM 700 O ARG C 46 58.311 15.342 -5.078 1.00 0.00 O ATOM 701 CB ARG C 46 61.400 15.542 -4.359 1.00 0.00 C ATOM 702 CG ARG C 46 61.975 14.520 -5.341 1.00 0.00 C ATOM 703 CD ARG C 46 61.828 15.046 -6.771 1.00 0.00 C ATOM 704 NE ARG C 46 62.845 14.300 -7.564 1.00 0.00 N ATOM 705 CZ ARG C 46 63.608 14.938 -8.410 1.00 0.00 C ATOM 706 NH1 ARG C 46 64.644 15.604 -7.982 1.00 0.00 N ATOM 707 NH2 ARG C 46 63.334 14.908 -9.686 1.00 0.00 N ATOM 0 H ARG C 46 61.685 13.495 -3.155 1.00 0.00 H new ATOM 0 HA ARG C 46 59.729 15.650 -2.957 1.00 0.00 H new ATOM 0 HB2 ARG C 46 61.107 16.448 -4.890 1.00 0.00 H new ATOM 0 HB3 ARG C 46 62.159 15.830 -3.632 1.00 0.00 H new ATOM 0 HG2 ARG C 46 63.026 14.335 -5.116 1.00 0.00 H new ATOM 0 HG3 ARG C 46 61.455 13.568 -5.237 1.00 0.00 H new ATOM 0 HD2 ARG C 46 60.823 14.871 -7.154 1.00 0.00 H new ATOM 0 HD3 ARG C 46 62.003 16.121 -6.816 1.00 0.00 H new ATOM 0 HE ARG C 46 62.945 13.292 -7.446 1.00 0.00 H new ATOM 0 HH11 ARG C 46 64.859 15.627 -6.985 1.00 0.00 H new ATOM 0 HH12 ARG C 46 65.239 16.102 -8.644 1.00 0.00 H new ATOM 0 HH21 ARG C 46 62.524 14.386 -10.022 1.00 0.00 H new ATOM 0 HH22 ARG C 46 63.930 15.406 -10.347 1.00 0.00 H new ATOM 721 N MET C 47 59.081 13.285 -5.033 1.00 0.00 N ATOM 722 CA MET C 47 58.051 12.828 -6.012 1.00 0.00 C ATOM 723 C MET C 47 56.738 12.510 -5.290 1.00 0.00 C ATOM 724 O MET C 47 55.663 12.709 -5.820 1.00 0.00 O ATOM 725 CB MET C 47 58.636 11.564 -6.644 1.00 0.00 C ATOM 726 CG MET C 47 58.976 11.835 -8.111 1.00 0.00 C ATOM 727 SD MET C 47 60.249 10.671 -8.660 1.00 0.00 S ATOM 728 CE MET C 47 59.313 9.154 -8.352 1.00 0.00 C ATOM 0 H MET C 47 59.724 12.562 -4.710 1.00 0.00 H new ATOM 0 HA MET C 47 57.826 13.589 -6.759 1.00 0.00 H new ATOM 0 HB2 MET C 47 59.531 11.256 -6.104 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.921 10.744 -6.571 1.00 0.00 H new ATOM 0 HG2 MET C 47 58.083 11.731 -8.728 1.00 0.00 H new ATOM 0 HG3 MET C 47 59.329 12.859 -8.230 1.00 0.00 H new ATOM 0 HE1 MET C 47 59.898 8.293 -8.675 1.00 0.00 H new ATOM 0 HE2 MET C 47 59.100 9.068 -7.287 1.00 0.00 H new ATOM 0 HE3 MET C 47 58.376 9.185 -8.908 1.00 0.00 H new ATOM 738 N LEU C 48 56.816 12.019 -4.083 1.00 0.00 N ATOM 739 CA LEU C 48 55.572 11.690 -3.329 1.00 0.00 C ATOM 740 C LEU C 48 54.939 12.968 -2.774 1.00 0.00 C ATOM 741 O LEU C 48 53.793 12.979 -2.368 1.00 0.00 O ATOM 742 CB LEU C 48 56.024 10.782 -2.187 1.00 0.00 C ATOM 743 CG LEU C 48 56.619 9.494 -2.756 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.837 8.492 -1.621 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.658 8.892 -3.787 1.00 0.00 C ATOM 0 H LEU C 48 57.687 11.831 -3.586 1.00 0.00 H new ATOM 0 HA LEU C 48 54.825 11.209 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.764 11.295 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU C 48 55.179 10.548 -1.539 1.00 0.00 H new ATOM 0 HG LEU C 48 57.571 9.718 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.261 7.572 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.522 8.917 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU C 48 55.883 8.272 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU C 48 56.086 7.974 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.704 8.669 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU C 48 55.500 9.605 -4.596 1.00 0.00 H new ATOM 757 N GLY C 49 55.676 14.043 -2.751 1.00 0.00 N ATOM 758 CA GLY C 49 55.117 15.318 -2.219 1.00 0.00 C ATOM 759 C GLY C 49 55.782 15.648 -0.881 1.00 0.00 C ATOM 760 O GLY C 49 55.248 16.388 -0.079 1.00 0.00 O ATOM 0 H GLY C 49 56.641 14.094 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.286 16.126 -2.930 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.039 15.228 -2.089 1.00 0.00 H new ATOM 764 N GLN C 50 56.943 15.106 -0.636 1.00 0.00 N ATOM 765 CA GLN C 50 57.642 15.392 0.651 1.00 0.00 C ATOM 766 C GLN C 50 59.142 15.579 0.405 1.00 0.00 C ATOM 767 O GLN C 50 59.636 15.342 -0.679 1.00 0.00 O ATOM 768 CB GLN C 50 57.391 14.160 1.521 1.00 0.00 C ATOM 769 CG GLN C 50 56.072 14.329 2.277 1.00 0.00 C ATOM 770 CD GLN C 50 56.262 13.905 3.734 1.00 0.00 C ATOM 771 OE1 GLN C 50 57.377 13.739 4.190 1.00 0.00 O ATOM 772 NE2 GLN C 50 55.214 13.720 4.489 1.00 0.00 N ATOM 0 H GLN C 50 57.438 14.478 -1.269 1.00 0.00 H new ATOM 0 HA GLN C 50 57.280 16.305 1.124 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.354 13.265 0.900 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.212 14.026 2.226 1.00 0.00 H new ATOM 0 HG2 GLN C 50 55.743 15.367 2.229 1.00 0.00 H new ATOM 0 HG3 GLN C 50 55.293 13.726 1.810 1.00 0.00 H new ATOM 0 HE21 GLN C 50 54.279 13.859 4.106 1.00 0.00 H new ATOM 0 HE22 GLN C 50 55.330 13.436 5.462 1.00 0.00 H new ATOM 781 N ASN C 51 59.870 16.001 1.403 1.00 0.00 N ATOM 782 CA ASN C 51 61.337 16.200 1.222 1.00 0.00 C ATOM 783 C ASN C 51 62.032 16.289 2.586 1.00 0.00 C ATOM 784 O ASN C 51 62.371 17.362 3.042 1.00 0.00 O ATOM 785 CB ASN C 51 61.465 17.525 0.466 1.00 0.00 C ATOM 786 CG ASN C 51 62.945 17.847 0.246 1.00 0.00 C ATOM 787 OD1 ASN C 51 63.719 17.874 1.181 1.00 0.00 O ATOM 788 ND2 ASN C 51 63.373 18.094 -0.963 1.00 0.00 N ATOM 0 H ASN C 51 59.514 16.216 2.334 1.00 0.00 H new ATOM 0 HA ASN C 51 61.803 15.376 0.683 1.00 0.00 H new ATOM 0 HB2 ASN C 51 60.950 17.460 -0.492 1.00 0.00 H new ATOM 0 HB3 ASN C 51 60.988 18.326 1.031 1.00 0.00 H new ATOM 0 HD21 ASN C 51 64.357 18.309 -1.121 1.00 0.00 H new ATOM 0 HD22 ASN C 51 62.723 18.071 -1.749 1.00 0.00 H new ATOM 795 N PRO C 52 62.219 15.146 3.190 1.00 0.00 N ATOM 796 CA PRO C 52 62.881 15.084 4.517 1.00 0.00 C ATOM 797 C PRO C 52 64.382 15.352 4.384 1.00 0.00 C ATOM 798 O PRO C 52 64.839 15.908 3.405 1.00 0.00 O ATOM 799 CB PRO C 52 62.624 13.650 4.976 1.00 0.00 C ATOM 800 CG PRO C 52 62.417 12.870 3.717 1.00 0.00 C ATOM 801 CD PRO C 52 61.837 13.818 2.697 1.00 0.00 C ATOM 0 HA PRO C 52 62.503 15.828 5.218 1.00 0.00 H new ATOM 0 HB2 PRO C 52 63.468 13.261 5.546 1.00 0.00 H new ATOM 0 HB3 PRO C 52 61.749 13.594 5.623 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.360 12.453 3.363 1.00 0.00 H new ATOM 0 HG3 PRO C 52 61.743 12.031 3.890 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.241 13.630 1.702 1.00 0.00 H new ATOM 0 HD3 PRO C 52 60.754 13.715 2.626 1.00 0.00 H new ATOM 809 N THR C 53 65.153 14.962 5.363 1.00 0.00 N ATOM 810 CA THR C 53 66.624 15.198 5.291 1.00 0.00 C ATOM 811 C THR C 53 67.359 13.881 5.031 1.00 0.00 C ATOM 812 O THR C 53 66.815 12.814 5.230 1.00 0.00 O ATOM 813 CB THR C 53 67.002 15.761 6.661 1.00 0.00 C ATOM 814 OG1 THR C 53 66.830 14.755 7.649 1.00 0.00 O ATOM 815 CG2 THR C 53 66.109 16.958 6.986 1.00 0.00 C ATOM 0 H THR C 53 64.829 14.491 6.208 1.00 0.00 H new ATOM 0 HA THR C 53 66.894 15.877 4.482 1.00 0.00 H new ATOM 0 HB THR C 53 68.044 16.082 6.648 1.00 0.00 H new ATOM 0 HG1 THR C 53 67.074 15.114 8.528 1.00 0.00 H new ATOM 0 HG21 THR C 53 66.379 17.359 7.963 1.00 0.00 H new ATOM 0 HG22 THR C 53 66.244 17.729 6.227 1.00 0.00 H new ATOM 0 HG23 THR C 53 65.066 16.641 7.000 1.00 0.00 H new ATOM 823 N PRO C 54 68.581 14.007 4.593 1.00 0.00 N ATOM 824 CA PRO C 54 69.412 12.816 4.298 1.00 0.00 C ATOM 825 C PRO C 54 69.868 12.150 5.599 1.00 0.00 C ATOM 826 O PRO C 54 70.139 10.967 5.640 1.00 0.00 O ATOM 827 CB PRO C 54 70.602 13.391 3.535 1.00 0.00 C ATOM 828 CG PRO C 54 70.691 14.818 3.971 1.00 0.00 C ATOM 829 CD PRO C 54 69.297 15.261 4.335 1.00 0.00 C ATOM 0 HA PRO C 54 68.881 12.050 3.734 1.00 0.00 H new ATOM 0 HB2 PRO C 54 71.519 12.850 3.768 1.00 0.00 H new ATOM 0 HB3 PRO C 54 70.453 13.316 2.458 1.00 0.00 H new ATOM 0 HG2 PRO C 54 71.362 14.918 4.824 1.00 0.00 H new ATOM 0 HG3 PRO C 54 71.096 15.440 3.172 1.00 0.00 H new ATOM 0 HD2 PRO C 54 69.300 15.907 5.213 1.00 0.00 H new ATOM 0 HD3 PRO C 54 68.834 15.826 3.526 1.00 0.00 H new ATOM 837 N GLU C 55 69.957 12.902 6.662 1.00 0.00 N ATOM 838 CA GLU C 55 70.396 12.312 7.959 1.00 0.00 C ATOM 839 C GLU C 55 69.385 11.263 8.429 1.00 0.00 C ATOM 840 O GLU C 55 69.748 10.202 8.896 1.00 0.00 O ATOM 841 CB GLU C 55 70.443 13.487 8.935 1.00 0.00 C ATOM 842 CG GLU C 55 71.683 14.337 8.652 1.00 0.00 C ATOM 843 CD GLU C 55 71.253 15.743 8.231 1.00 0.00 C ATOM 844 OE1 GLU C 55 70.088 15.914 7.910 1.00 0.00 O ATOM 845 OE2 GLU C 55 72.096 16.625 8.235 1.00 0.00 O ATOM 0 H GLU C 55 69.745 13.899 6.689 1.00 0.00 H new ATOM 0 HA GLU C 55 71.361 11.811 7.880 1.00 0.00 H new ATOM 0 HB2 GLU C 55 69.543 14.093 8.834 1.00 0.00 H new ATOM 0 HB3 GLU C 55 70.467 13.120 9.961 1.00 0.00 H new ATOM 0 HG2 GLU C 55 72.312 14.388 9.541 1.00 0.00 H new ATOM 0 HG3 GLU C 55 72.280 13.877 7.865 1.00 0.00 H new ATOM 852 N GLU C 56 68.117 11.552 8.313 1.00 0.00 N ATOM 853 CA GLU C 56 67.087 10.571 8.757 1.00 0.00 C ATOM 854 C GLU C 56 66.853 9.517 7.671 1.00 0.00 C ATOM 855 O GLU C 56 66.440 8.409 7.950 1.00 0.00 O ATOM 856 CB GLU C 56 65.820 11.397 8.985 1.00 0.00 C ATOM 857 CG GLU C 56 64.804 10.564 9.768 1.00 0.00 C ATOM 858 CD GLU C 56 63.809 11.492 10.468 1.00 0.00 C ATOM 859 OE1 GLU C 56 63.810 12.672 10.155 1.00 0.00 O ATOM 860 OE2 GLU C 56 63.064 11.009 11.305 1.00 0.00 O ATOM 0 H GLU C 56 67.751 12.424 7.931 1.00 0.00 H new ATOM 0 HA GLU C 56 67.391 10.036 9.657 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.060 12.308 9.534 1.00 0.00 H new ATOM 0 HB3 GLU C 56 65.396 11.704 8.029 1.00 0.00 H new ATOM 0 HG2 GLU C 56 64.275 9.889 9.094 1.00 0.00 H new ATOM 0 HG3 GLU C 56 65.317 9.943 10.503 1.00 0.00 H new ATOM 867 N LEU C 57 67.115 9.848 6.435 1.00 0.00 N ATOM 868 CA LEU C 57 66.905 8.854 5.345 1.00 0.00 C ATOM 869 C LEU C 57 67.459 7.494 5.772 1.00 0.00 C ATOM 870 O LEU C 57 66.794 6.481 5.669 1.00 0.00 O ATOM 871 CB LEU C 57 67.680 9.400 4.145 1.00 0.00 C ATOM 872 CG LEU C 57 66.700 9.750 3.024 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.469 10.314 1.828 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.947 8.488 2.594 1.00 0.00 C ATOM 0 H LEU C 57 67.463 10.758 6.135 1.00 0.00 H new ATOM 0 HA LEU C 57 65.850 8.713 5.109 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.247 10.284 4.436 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.400 8.660 3.796 1.00 0.00 H new ATOM 0 HG LEU C 57 65.990 10.495 3.383 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.769 10.563 1.030 1.00 0.00 H new ATOM 0 HD12 LEU C 57 68.007 11.212 2.132 1.00 0.00 H new ATOM 0 HD13 LEU C 57 68.179 9.570 1.468 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.248 8.736 1.795 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.659 7.744 2.236 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.398 8.085 3.445 1.00 0.00 H new ATOM 886 N GLN C 58 68.669 7.462 6.259 1.00 0.00 N ATOM 887 CA GLN C 58 69.255 6.166 6.702 1.00 0.00 C ATOM 888 C GLN C 58 68.334 5.513 7.735 1.00 0.00 C ATOM 889 O GLN C 58 68.192 4.308 7.783 1.00 0.00 O ATOM 890 CB GLN C 58 70.599 6.530 7.332 1.00 0.00 C ATOM 891 CG GLN C 58 71.676 5.568 6.829 1.00 0.00 C ATOM 892 CD GLN C 58 71.473 4.192 7.466 1.00 0.00 C ATOM 893 OE1 GLN C 58 70.962 4.088 8.563 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.854 3.123 6.820 1.00 0.00 N ATOM 0 H GLN C 58 69.275 8.275 6.369 1.00 0.00 H new ATOM 0 HA GLN C 58 69.375 5.458 5.882 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.866 7.556 7.078 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.529 6.478 8.419 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.628 5.488 5.743 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.666 5.952 7.077 1.00 0.00 H new ATOM 0 HE21 GLN C 58 72.283 3.210 5.899 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.722 2.201 7.237 1.00 0.00 H new ATOM 903 N GLU C 59 67.699 6.305 8.556 1.00 0.00 N ATOM 904 CA GLU C 59 66.778 5.734 9.580 1.00 0.00 C ATOM 905 C GLU C 59 65.735 4.847 8.899 1.00 0.00 C ATOM 906 O GLU C 59 65.437 3.760 9.352 1.00 0.00 O ATOM 907 CB GLU C 59 66.111 6.947 10.232 1.00 0.00 C ATOM 908 CG GLU C 59 65.427 6.518 11.531 1.00 0.00 C ATOM 909 CD GLU C 59 63.924 6.789 11.428 1.00 0.00 C ATOM 910 OE1 GLU C 59 63.235 5.978 10.831 1.00 0.00 O ATOM 911 OE2 GLU C 59 63.489 7.804 11.947 1.00 0.00 O ATOM 0 H GLU C 59 67.778 7.322 8.562 1.00 0.00 H new ATOM 0 HA GLU C 59 67.297 5.116 10.313 1.00 0.00 H new ATOM 0 HB2 GLU C 59 66.854 7.717 10.438 1.00 0.00 H new ATOM 0 HB3 GLU C 59 65.380 7.383 9.551 1.00 0.00 H new ATOM 0 HG2 GLU C 59 65.605 5.459 11.716 1.00 0.00 H new ATOM 0 HG3 GLU C 59 65.849 7.064 12.375 1.00 0.00 H new ATOM 918 N MET C 60 65.183 5.300 7.806 1.00 0.00 N ATOM 919 CA MET C 60 64.166 4.481 7.089 1.00 0.00 C ATOM 920 C MET C 60 64.735 3.090 6.802 1.00 0.00 C ATOM 921 O MET C 60 64.045 2.093 6.884 1.00 0.00 O ATOM 922 CB MET C 60 63.900 5.234 5.785 1.00 0.00 C ATOM 923 CG MET C 60 62.499 5.847 5.825 1.00 0.00 C ATOM 924 SD MET C 60 61.767 5.783 4.171 1.00 0.00 S ATOM 925 CE MET C 60 61.662 7.568 3.896 1.00 0.00 C ATOM 0 H MET C 60 65.393 6.202 7.379 1.00 0.00 H new ATOM 0 HA MET C 60 63.253 4.343 7.668 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.647 6.016 5.646 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.987 4.555 4.937 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.873 5.304 6.533 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.551 6.879 6.172 1.00 0.00 H new ATOM 0 HE1 MET C 60 61.230 7.760 2.914 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.033 8.018 4.664 1.00 0.00 H new ATOM 0 HE3 MET C 60 62.660 8.003 3.944 1.00 0.00 H new ATOM 935 N ILE C 61 65.996 3.018 6.473 1.00 0.00 N ATOM 936 CA ILE C 61 66.622 1.696 6.187 1.00 0.00 C ATOM 937 C ILE C 61 66.821 0.924 7.494 1.00 0.00 C ATOM 938 O ILE C 61 66.403 -0.209 7.629 1.00 0.00 O ATOM 939 CB ILE C 61 67.967 2.030 5.541 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.746 2.404 4.073 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.900 0.819 5.622 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.381 3.886 3.971 1.00 0.00 C ATOM 0 H ILE C 61 66.621 3.820 6.390 1.00 0.00 H new ATOM 0 HA ILE C 61 66.008 1.070 5.539 1.00 0.00 H new ATOM 0 HB ILE C 61 68.421 2.868 6.070 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.648 2.201 3.496 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.950 1.793 3.647 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.856 1.065 5.160 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.060 0.552 6.667 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.449 -0.023 5.097 1.00 0.00 H new ATOM 0 HD11 ILE C 61 67.224 4.151 2.925 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.467 4.075 4.534 1.00 0.00 H new ATOM 0 HD13 ILE C 61 68.191 4.489 4.380 1.00 0.00 H new ATOM 954 N ASP C 62 67.452 1.532 8.459 1.00 0.00 N ATOM 955 CA ASP C 62 67.675 0.839 9.760 1.00 0.00 C ATOM 956 C ASP C 62 66.333 0.441 10.381 1.00 0.00 C ATOM 957 O ASP C 62 66.248 -0.486 11.161 1.00 0.00 O ATOM 958 CB ASP C 62 68.385 1.870 10.640 1.00 0.00 C ATOM 959 CG ASP C 62 69.881 1.556 10.691 1.00 0.00 C ATOM 960 OD1 ASP C 62 70.496 1.527 9.638 1.00 0.00 O ATOM 961 OD2 ASP C 62 70.387 1.352 11.782 1.00 0.00 O ATOM 0 H ASP C 62 67.824 2.480 8.404 1.00 0.00 H new ATOM 0 HA ASP C 62 68.259 -0.074 9.648 1.00 0.00 H new ATOM 0 HB2 ASP C 62 68.227 2.873 10.243 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.965 1.855 11.646 1.00 0.00 H new ATOM 966 N GLU C 63 65.284 1.140 10.040 1.00 0.00 N ATOM 967 CA GLU C 63 63.947 0.808 10.610 1.00 0.00 C ATOM 968 C GLU C 63 63.556 -0.628 10.251 1.00 0.00 C ATOM 969 O GLU C 63 63.088 -1.379 11.083 1.00 0.00 O ATOM 970 CB GLU C 63 62.983 1.803 9.960 1.00 0.00 C ATOM 971 CG GLU C 63 62.609 2.887 10.971 1.00 0.00 C ATOM 972 CD GLU C 63 61.109 2.816 11.267 1.00 0.00 C ATOM 973 OE1 GLU C 63 60.702 1.883 11.939 1.00 0.00 O ATOM 974 OE2 GLU C 63 60.395 3.695 10.815 1.00 0.00 O ATOM 0 H GLU C 63 65.295 1.927 9.391 1.00 0.00 H new ATOM 0 HA GLU C 63 63.935 0.876 11.698 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.446 2.254 9.082 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.087 1.286 9.617 1.00 0.00 H new ATOM 0 HG2 GLU C 63 63.178 2.753 11.891 1.00 0.00 H new ATOM 0 HG3 GLU C 63 62.866 3.870 10.577 1.00 0.00 H new ATOM 981 N VAL C 64 63.742 -1.014 9.019 1.00 0.00 N ATOM 982 CA VAL C 64 63.377 -2.401 8.609 1.00 0.00 C ATOM 983 C VAL C 64 64.620 -3.157 8.131 1.00 0.00 C ATOM 984 O VAL C 64 64.624 -3.762 7.077 1.00 0.00 O ATOM 985 CB VAL C 64 62.380 -2.228 7.462 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.055 -1.694 8.011 1.00 0.00 C ATOM 987 CG2 VAL C 64 62.943 -1.237 6.441 1.00 0.00 C ATOM 0 H VAL C 64 64.131 -0.430 8.278 1.00 0.00 H new ATOM 0 HA VAL C 64 62.954 -2.976 9.433 1.00 0.00 H new ATOM 0 HB VAL C 64 62.212 -3.191 6.981 1.00 0.00 H new ATOM 0 HG11 VAL C 64 60.345 -1.571 7.193 1.00 0.00 H new ATOM 0 HG12 VAL C 64 60.652 -2.399 8.738 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.223 -0.731 8.494 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.233 -1.114 5.624 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.112 -0.274 6.923 1.00 0.00 H new ATOM 0 HG23 VAL C 64 63.886 -1.616 6.048 1.00 0.00 H new ATOM 997 N ASP C 65 65.676 -3.129 8.898 1.00 0.00 N ATOM 998 CA ASP C 65 66.917 -3.849 8.489 1.00 0.00 C ATOM 999 C ASP C 65 67.217 -4.984 9.473 1.00 0.00 C ATOM 1000 O ASP C 65 67.263 -4.783 10.671 1.00 0.00 O ATOM 1001 CB ASP C 65 68.021 -2.792 8.532 1.00 0.00 C ATOM 1002 CG ASP C 65 69.198 -3.247 7.669 1.00 0.00 C ATOM 1003 OD1 ASP C 65 69.363 -4.446 7.510 1.00 0.00 O ATOM 1004 OD2 ASP C 65 69.917 -2.390 7.181 1.00 0.00 O ATOM 0 H ASP C 65 65.733 -2.639 9.791 1.00 0.00 H new ATOM 0 HA ASP C 65 66.827 -4.302 7.501 1.00 0.00 H new ATOM 0 HB2 ASP C 65 67.639 -1.837 8.170 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.349 -2.635 9.560 1.00 0.00 H new ATOM 1009 N GLU C 66 67.418 -6.175 8.978 1.00 0.00 N ATOM 1010 CA GLU C 66 67.711 -7.321 9.888 1.00 0.00 C ATOM 1011 C GLU C 66 69.207 -7.646 9.873 1.00 0.00 C ATOM 1012 O GLU C 66 69.653 -8.594 10.489 1.00 0.00 O ATOM 1013 CB GLU C 66 66.902 -8.490 9.323 1.00 0.00 C ATOM 1014 CG GLU C 66 65.426 -8.310 9.680 1.00 0.00 C ATOM 1015 CD GLU C 66 65.216 -8.626 11.163 1.00 0.00 C ATOM 1016 OE1 GLU C 66 65.537 -9.733 11.563 1.00 0.00 O ATOM 1017 OE2 GLU C 66 64.741 -7.756 11.872 1.00 0.00 O ATOM 0 H GLU C 66 67.392 -6.405 7.985 1.00 0.00 H new ATOM 0 HA GLU C 66 67.447 -7.103 10.923 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.022 -8.539 8.241 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.273 -9.432 9.728 1.00 0.00 H new ATOM 0 HG2 GLU C 66 65.112 -7.288 9.467 1.00 0.00 H new ATOM 0 HG3 GLU C 66 64.810 -8.967 9.067 1.00 0.00 H new ATOM 1024 N ASP C 67 69.986 -6.866 9.174 1.00 0.00 N ATOM 1025 CA ASP C 67 71.453 -7.130 9.120 1.00 0.00 C ATOM 1026 C ASP C 67 72.233 -5.822 9.277 1.00 0.00 C ATOM 1027 O ASP C 67 73.446 -5.800 9.201 1.00 0.00 O ATOM 1028 CB ASP C 67 71.697 -7.740 7.737 1.00 0.00 C ATOM 1029 CG ASP C 67 70.922 -6.946 6.682 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.432 -5.930 6.241 1.00 0.00 O ATOM 1031 OD2 ASP C 67 69.832 -7.368 6.335 1.00 0.00 O ATOM 0 H ASP C 67 69.671 -6.058 8.638 1.00 0.00 H new ATOM 0 HA ASP C 67 71.782 -7.793 9.920 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.762 -7.728 7.506 1.00 0.00 H new ATOM 0 HB3 ASP C 67 71.380 -8.783 7.727 1.00 0.00 H new ATOM 1036 N GLY C 68 71.547 -4.732 9.495 1.00 0.00 N ATOM 1037 CA GLY C 68 72.250 -3.427 9.659 1.00 0.00 C ATOM 1038 C GLY C 68 73.355 -3.307 8.609 1.00 0.00 C ATOM 1039 O GLY C 68 74.460 -2.893 8.901 1.00 0.00 O ATOM 0 H GLY C 68 70.530 -4.689 9.567 1.00 0.00 H new ATOM 0 HA2 GLY C 68 71.542 -2.605 9.553 1.00 0.00 H new ATOM 0 HA3 GLY C 68 72.675 -3.354 10.660 1.00 0.00 H new ATOM 1043 N SER C 69 73.067 -3.665 7.388 1.00 0.00 N ATOM 1044 CA SER C 69 74.102 -3.572 6.320 1.00 0.00 C ATOM 1045 C SER C 69 74.184 -2.140 5.784 1.00 0.00 C ATOM 1046 O SER C 69 75.175 -1.737 5.211 1.00 0.00 O ATOM 1047 CB SER C 69 73.628 -4.528 5.226 1.00 0.00 C ATOM 1048 OG SER C 69 72.333 -4.137 4.791 1.00 0.00 O ATOM 0 H SER C 69 72.160 -4.018 7.084 1.00 0.00 H new ATOM 0 HA SER C 69 75.096 -3.830 6.685 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.325 -4.515 4.388 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.604 -5.550 5.605 1.00 0.00 H new ATOM 0 HG SER C 69 71.689 -4.844 5.004 1.00 0.00 H new ATOM 1054 N GLY C 70 73.146 -1.370 5.967 1.00 0.00 N ATOM 1055 CA GLY C 70 73.165 0.035 5.468 1.00 0.00 C ATOM 1056 C GLY C 70 72.171 0.185 4.315 1.00 0.00 C ATOM 1057 O GLY C 70 71.489 1.183 4.197 1.00 0.00 O ATOM 0 H GLY C 70 72.287 -1.652 6.439 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.908 0.721 6.275 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.168 0.299 5.133 1.00 0.00 H new ATOM 1061 N THR C 71 72.084 -0.800 3.463 1.00 0.00 N ATOM 1062 CA THR C 71 71.133 -0.712 2.317 1.00 0.00 C ATOM 1063 C THR C 71 69.897 -1.575 2.588 1.00 0.00 C ATOM 1064 O THR C 71 69.834 -2.293 3.565 1.00 0.00 O ATOM 1065 CB THR C 71 71.913 -1.251 1.116 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.233 -2.616 1.337 1.00 0.00 O ATOM 1067 CG2 THR C 71 73.200 -0.446 0.938 1.00 0.00 C ATOM 0 H THR C 71 72.629 -1.661 3.510 1.00 0.00 H new ATOM 0 HA THR C 71 70.778 0.305 2.150 1.00 0.00 H new ATOM 0 HB THR C 71 71.304 -1.161 0.216 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.731 -2.964 0.568 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.755 -0.831 0.082 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.953 0.602 0.769 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.811 -0.534 1.836 1.00 0.00 H new ATOM 1075 N VAL C 72 68.915 -1.512 1.730 1.00 0.00 N ATOM 1076 CA VAL C 72 67.686 -2.330 1.944 1.00 0.00 C ATOM 1077 C VAL C 72 67.460 -3.270 0.756 1.00 0.00 C ATOM 1078 O VAL C 72 67.900 -3.011 -0.345 1.00 0.00 O ATOM 1079 CB VAL C 72 66.546 -1.316 2.050 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.203 -2.050 2.036 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.684 -0.534 3.358 1.00 0.00 C ATOM 0 H VAL C 72 68.910 -0.931 0.892 1.00 0.00 H new ATOM 0 HA VAL C 72 67.758 -2.956 2.834 1.00 0.00 H new ATOM 0 HB VAL C 72 66.592 -0.629 1.205 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.392 -1.326 2.112 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.104 -2.610 1.106 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.155 -2.738 2.880 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.873 0.190 3.437 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.638 -1.224 4.201 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.640 -0.010 3.370 1.00 0.00 H new ATOM 1091 N ASP C 73 66.777 -4.362 0.974 1.00 0.00 N ATOM 1092 CA ASP C 73 66.525 -5.318 -0.143 1.00 0.00 C ATOM 1093 C ASP C 73 65.032 -5.651 -0.229 1.00 0.00 C ATOM 1094 O ASP C 73 64.248 -5.255 0.610 1.00 0.00 O ATOM 1095 CB ASP C 73 67.331 -6.567 0.215 1.00 0.00 C ATOM 1096 CG ASP C 73 67.814 -7.248 -1.067 1.00 0.00 C ATOM 1097 OD1 ASP C 73 67.237 -6.985 -2.108 1.00 0.00 O ATOM 1098 OD2 ASP C 73 68.755 -8.021 -0.985 1.00 0.00 O ATOM 0 H ASP C 73 66.383 -4.633 1.875 1.00 0.00 H new ATOM 0 HA ASP C 73 66.815 -4.908 -1.110 1.00 0.00 H new ATOM 0 HB2 ASP C 73 68.183 -6.296 0.839 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.717 -7.255 0.796 1.00 0.00 H new ATOM 1103 N PHE C 74 64.637 -6.380 -1.236 1.00 0.00 N ATOM 1104 CA PHE C 74 63.198 -6.744 -1.378 1.00 0.00 C ATOM 1105 C PHE C 74 62.702 -7.442 -0.110 1.00 0.00 C ATOM 1106 O PHE C 74 61.515 -7.554 0.125 1.00 0.00 O ATOM 1107 CB PHE C 74 63.151 -7.700 -2.571 1.00 0.00 C ATOM 1108 CG PHE C 74 61.755 -7.726 -3.146 1.00 0.00 C ATOM 1109 CD1 PHE C 74 60.749 -8.462 -2.509 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.469 -7.019 -4.319 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.456 -8.489 -3.044 1.00 0.00 C ATOM 1112 CE2 PHE C 74 60.175 -7.046 -4.856 1.00 0.00 C ATOM 1113 CZ PHE C 74 59.169 -7.782 -4.219 1.00 0.00 C ATOM 0 H PHE C 74 65.249 -6.740 -1.968 1.00 0.00 H new ATOM 0 HA PHE C 74 62.562 -5.872 -1.528 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.863 -7.382 -3.333 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.445 -8.702 -2.259 1.00 0.00 H new ATOM 0 HD1 PHE C 74 60.971 -9.009 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.246 -6.452 -4.811 1.00 0.00 H new ATOM 0 HE1 PHE C 74 58.679 -9.055 -2.551 1.00 0.00 H new ATOM 0 HE2 PHE C 74 59.954 -6.499 -5.761 1.00 0.00 H new ATOM 0 HZ PHE C 74 58.172 -7.805 -4.633 1.00 0.00 H new ATOM 1123 N ASP C 75 63.602 -7.916 0.709 1.00 0.00 N ATOM 1124 CA ASP C 75 63.184 -8.610 1.960 1.00 0.00 C ATOM 1125 C ASP C 75 62.903 -7.589 3.067 1.00 0.00 C ATOM 1126 O ASP C 75 61.925 -7.687 3.781 1.00 0.00 O ATOM 1127 CB ASP C 75 64.374 -9.492 2.335 1.00 0.00 C ATOM 1128 CG ASP C 75 64.640 -10.493 1.209 1.00 0.00 C ATOM 1129 OD1 ASP C 75 64.323 -10.176 0.075 1.00 0.00 O ATOM 1130 OD2 ASP C 75 65.156 -11.559 1.501 1.00 0.00 O ATOM 0 H ASP C 75 64.610 -7.852 0.565 1.00 0.00 H new ATOM 0 HA ASP C 75 62.270 -9.189 1.826 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.257 -8.877 2.505 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.170 -10.021 3.266 1.00 0.00 H new ATOM 1135 N GLU C 76 63.754 -6.611 3.216 1.00 0.00 N ATOM 1136 CA GLU C 76 63.534 -5.587 4.278 1.00 0.00 C ATOM 1137 C GLU C 76 62.465 -4.586 3.837 1.00 0.00 C ATOM 1138 O GLU C 76 61.774 -4.003 4.649 1.00 0.00 O ATOM 1139 CB GLU C 76 64.885 -4.891 4.439 1.00 0.00 C ATOM 1140 CG GLU C 76 65.833 -5.796 5.230 1.00 0.00 C ATOM 1141 CD GLU C 76 67.252 -5.228 5.165 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.495 -4.392 4.310 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.070 -5.637 5.971 1.00 0.00 O ATOM 0 H GLU C 76 64.591 -6.476 2.649 1.00 0.00 H new ATOM 0 HA GLU C 76 63.187 -6.029 5.212 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.310 -4.667 3.461 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.757 -3.940 4.956 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.505 -5.866 6.267 1.00 0.00 H new ATOM 0 HG3 GLU C 76 65.815 -6.806 4.821 1.00 0.00 H new ATOM 1150 N PHE C 77 62.324 -4.381 2.556 1.00 0.00 N ATOM 1151 CA PHE C 77 61.300 -3.417 2.064 1.00 0.00 C ATOM 1152 C PHE C 77 59.896 -3.897 2.443 1.00 0.00 C ATOM 1153 O PHE C 77 59.099 -3.154 2.980 1.00 0.00 O ATOM 1154 CB PHE C 77 61.471 -3.403 0.544 1.00 0.00 C ATOM 1155 CG PHE C 77 60.577 -2.344 -0.053 1.00 0.00 C ATOM 1156 CD1 PHE C 77 59.197 -2.555 -0.129 1.00 0.00 C ATOM 1157 CD2 PHE C 77 61.131 -1.150 -0.533 1.00 0.00 C ATOM 1158 CE1 PHE C 77 58.367 -1.574 -0.682 1.00 0.00 C ATOM 1159 CE2 PHE C 77 60.301 -0.168 -1.087 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.919 -0.380 -1.162 1.00 0.00 C ATOM 0 H PHE C 77 62.874 -4.839 1.829 1.00 0.00 H new ATOM 0 HA PHE C 77 61.423 -2.425 2.498 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.511 -3.204 0.286 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.222 -4.380 0.130 1.00 0.00 H new ATOM 0 HD1 PHE C 77 58.771 -3.477 0.240 1.00 0.00 H new ATOM 0 HD2 PHE C 77 62.197 -0.987 -0.476 1.00 0.00 H new ATOM 0 HE1 PHE C 77 57.301 -1.738 -0.739 1.00 0.00 H new ATOM 0 HE2 PHE C 77 60.727 0.753 -1.457 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.279 0.377 -1.590 1.00 0.00 H new ATOM 1170 N LEU C 78 59.587 -5.135 2.166 1.00 0.00 N ATOM 1171 CA LEU C 78 58.235 -5.661 2.512 1.00 0.00 C ATOM 1172 C LEU C 78 57.920 -5.390 3.985 1.00 0.00 C ATOM 1173 O LEU C 78 56.806 -5.057 4.341 1.00 0.00 O ATOM 1174 CB LEU C 78 58.318 -7.166 2.250 1.00 0.00 C ATOM 1175 CG LEU C 78 58.241 -7.428 0.746 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.935 -8.753 0.423 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.772 -7.506 0.318 1.00 0.00 C ATOM 0 H LEU C 78 60.211 -5.804 1.716 1.00 0.00 H new ATOM 0 HA LEU C 78 57.446 -5.187 1.928 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.249 -7.565 2.652 1.00 0.00 H new ATOM 0 HB3 LEU C 78 57.504 -7.680 2.761 1.00 0.00 H new ATOM 0 HG LEU C 78 58.735 -6.618 0.210 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.880 -8.940 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU C 78 59.980 -8.701 0.730 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.440 -9.563 0.959 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.715 -7.693 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.279 -8.317 0.854 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.275 -6.564 0.549 1.00 0.00 H new ATOM 1189 N VAL C 79 58.891 -5.534 4.844 1.00 0.00 N ATOM 1190 CA VAL C 79 58.651 -5.288 6.294 1.00 0.00 C ATOM 1191 C VAL C 79 58.232 -3.834 6.524 1.00 0.00 C ATOM 1192 O VAL C 79 57.678 -3.492 7.551 1.00 0.00 O ATOM 1193 CB VAL C 79 59.994 -5.567 6.968 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.874 -5.315 8.471 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.391 -7.026 6.725 1.00 0.00 C ATOM 0 H VAL C 79 59.843 -5.812 4.604 1.00 0.00 H new ATOM 0 HA VAL C 79 57.853 -5.915 6.692 1.00 0.00 H new ATOM 0 HB VAL C 79 60.755 -4.907 6.550 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.832 -5.514 8.951 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.590 -4.277 8.644 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.114 -5.974 8.891 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.349 -7.227 7.205 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.630 -7.685 7.143 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.477 -7.206 5.653 1.00 0.00 H new ATOM 1205 N MET C 80 58.495 -2.977 5.579 1.00 0.00 N ATOM 1206 CA MET C 80 58.117 -1.544 5.744 1.00 0.00 C ATOM 1207 C MET C 80 56.601 -1.368 5.600 1.00 0.00 C ATOM 1208 O MET C 80 55.991 -0.582 6.296 1.00 0.00 O ATOM 1209 CB MET C 80 58.849 -0.813 4.619 1.00 0.00 C ATOM 1210 CG MET C 80 59.235 0.589 5.089 1.00 0.00 C ATOM 1211 SD MET C 80 60.999 0.863 4.784 1.00 0.00 S ATOM 1212 CE MET C 80 60.885 1.106 2.994 1.00 0.00 C ATOM 0 H MET C 80 58.956 -3.206 4.698 1.00 0.00 H new ATOM 0 HA MET C 80 58.385 -1.159 6.728 1.00 0.00 H new ATOM 0 HB2 MET C 80 59.740 -1.369 4.329 1.00 0.00 H new ATOM 0 HB3 MET C 80 58.212 -0.750 3.737 1.00 0.00 H new ATOM 0 HG2 MET C 80 58.643 1.337 4.561 1.00 0.00 H new ATOM 0 HG3 MET C 80 59.017 0.701 6.151 1.00 0.00 H new ATOM 0 HE1 MET C 80 61.871 1.347 2.596 1.00 0.00 H new ATOM 0 HE2 MET C 80 60.518 0.193 2.526 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.198 1.925 2.781 1.00 0.00 H new ATOM 1222 N MET C 81 55.990 -2.090 4.701 1.00 0.00 N ATOM 1223 CA MET C 81 54.516 -1.955 4.515 1.00 0.00 C ATOM 1224 C MET C 81 53.765 -2.770 5.572 1.00 0.00 C ATOM 1225 O MET C 81 52.712 -2.378 6.038 1.00 0.00 O ATOM 1226 CB MET C 81 54.241 -2.510 3.117 1.00 0.00 C ATOM 1227 CG MET C 81 54.190 -1.358 2.112 1.00 0.00 C ATOM 1228 SD MET C 81 55.817 -0.571 2.012 1.00 0.00 S ATOM 1229 CE MET C 81 55.272 0.976 1.250 1.00 0.00 C ATOM 0 H MET C 81 56.446 -2.766 4.088 1.00 0.00 H new ATOM 0 HA MET C 81 54.183 -0.922 4.619 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.020 -3.218 2.835 1.00 0.00 H new ATOM 0 HB3 MET C 81 53.297 -3.055 3.110 1.00 0.00 H new ATOM 0 HG2 MET C 81 53.893 -1.730 1.131 1.00 0.00 H new ATOM 0 HG3 MET C 81 53.440 -0.629 2.417 1.00 0.00 H new ATOM 0 HE1 MET C 81 56.132 1.627 1.094 1.00 0.00 H new ATOM 0 HE2 MET C 81 54.799 0.763 0.291 1.00 0.00 H new ATOM 0 HE3 MET C 81 54.556 1.472 1.905 1.00 0.00 H new ATOM 1239 N VAL C 82 54.293 -3.900 5.955 1.00 0.00 N ATOM 1240 CA VAL C 82 53.602 -4.734 6.980 1.00 0.00 C ATOM 1241 C VAL C 82 53.534 -3.985 8.316 1.00 0.00 C ATOM 1242 O VAL C 82 52.548 -4.047 9.023 1.00 0.00 O ATOM 1243 CB VAL C 82 54.456 -5.996 7.119 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.652 -7.077 7.840 1.00 0.00 C ATOM 1245 CG2 VAL C 82 54.853 -6.504 5.730 1.00 0.00 C ATOM 0 H VAL C 82 55.171 -4.282 5.604 1.00 0.00 H new ATOM 0 HA VAL C 82 52.577 -4.968 6.692 1.00 0.00 H new ATOM 0 HB VAL C 82 55.354 -5.763 7.691 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.259 -7.977 7.940 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.368 -6.720 8.830 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.755 -7.307 7.266 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.461 -7.403 5.831 1.00 0.00 H new ATOM 0 HG22 VAL C 82 53.955 -6.736 5.157 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.426 -5.735 5.211 1.00 0.00 H new ATOM 1255 N ARG C 83 54.575 -3.281 8.665 1.00 0.00 N ATOM 1256 CA ARG C 83 54.570 -2.532 9.955 1.00 0.00 C ATOM 1257 C ARG C 83 53.436 -1.503 9.970 1.00 0.00 C ATOM 1258 O ARG C 83 52.899 -1.171 11.008 1.00 0.00 O ATOM 1259 CB ARG C 83 55.928 -1.832 10.011 1.00 0.00 C ATOM 1260 CG ARG C 83 56.974 -2.794 10.576 1.00 0.00 C ATOM 1261 CD ARG C 83 58.188 -2.001 11.063 1.00 0.00 C ATOM 1262 NE ARG C 83 58.049 -1.959 12.546 1.00 0.00 N ATOM 1263 CZ ARG C 83 57.708 -0.848 13.137 1.00 0.00 C ATOM 1264 NH1 ARG C 83 58.617 0.036 13.440 1.00 0.00 N ATOM 1265 NH2 ARG C 83 56.455 -0.623 13.427 1.00 0.00 N ATOM 0 H ARG C 83 55.429 -3.191 8.114 1.00 0.00 H new ATOM 0 HA ARG C 83 54.412 -3.188 10.811 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.221 -1.504 9.014 1.00 0.00 H new ATOM 0 HB3 ARG C 83 55.864 -0.940 10.634 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.548 -3.369 11.399 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.277 -3.509 9.811 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.120 -2.483 10.767 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.200 -0.997 10.639 1.00 0.00 H new ATOM 0 HE ARG C 83 58.221 -2.799 13.099 1.00 0.00 H new ATOM 0 HH11 ARG C 83 59.596 -0.141 13.215 1.00 0.00 H new ATOM 0 HH12 ARG C 83 58.349 0.905 13.902 1.00 0.00 H new ATOM 0 HH21 ARG C 83 55.745 -1.316 13.191 1.00 0.00 H new ATOM 0 HH22 ARG C 83 56.187 0.246 13.889 1.00 0.00 H new ATOM 1279 N CYS C 84 53.069 -0.992 8.826 1.00 0.00 N ATOM 1280 CA CYS C 84 51.972 0.017 8.780 1.00 0.00 C ATOM 1281 C CYS C 84 50.666 -0.634 8.317 1.00 0.00 C ATOM 1282 O CYS C 84 49.645 0.014 8.200 1.00 0.00 O ATOM 1283 CB CYS C 84 52.440 1.062 7.766 1.00 0.00 C ATOM 1284 SG CYS C 84 54.138 1.553 8.150 1.00 0.00 S ATOM 0 H CYS C 84 53.480 -1.229 7.923 1.00 0.00 H new ATOM 0 HA CYS C 84 51.775 0.455 9.758 1.00 0.00 H new ATOM 0 HB2 CYS C 84 52.387 0.654 6.756 1.00 0.00 H new ATOM 0 HB3 CYS C 84 51.783 1.931 7.794 1.00 0.00 H new ATOM 0 HG CYS C 84 54.967 0.797 7.493 1.00 0.00 H new ATOM 1290 N MET C 85 50.688 -1.912 8.052 1.00 0.00 N ATOM 1291 CA MET C 85 49.446 -2.599 7.598 1.00 0.00 C ATOM 1292 C MET C 85 48.694 -3.179 8.799 1.00 0.00 C ATOM 1293 O MET C 85 47.601 -2.758 9.122 1.00 0.00 O ATOM 1294 CB MET C 85 49.924 -3.719 6.674 1.00 0.00 C ATOM 1295 CG MET C 85 49.953 -3.212 5.230 1.00 0.00 C ATOM 1296 SD MET C 85 49.840 -4.618 4.097 1.00 0.00 S ATOM 1297 CE MET C 85 48.158 -5.124 4.529 1.00 0.00 C ATOM 0 H MET C 85 51.511 -2.509 8.130 1.00 0.00 H new ATOM 0 HA MET C 85 48.761 -1.919 7.091 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.917 -4.053 6.973 1.00 0.00 H new ATOM 0 HB3 MET C 85 49.260 -4.580 6.755 1.00 0.00 H new ATOM 0 HG2 MET C 85 49.125 -2.524 5.058 1.00 0.00 H new ATOM 0 HG3 MET C 85 50.872 -2.656 5.047 1.00 0.00 H new ATOM 0 HE1 MET C 85 47.640 -5.467 3.633 1.00 0.00 H new ATOM 0 HE2 MET C 85 48.197 -5.933 5.258 1.00 0.00 H new ATOM 0 HE3 MET C 85 47.622 -4.277 4.956 1.00 0.00 H new ATOM 1307 N LYS C 86 49.271 -4.144 9.463 1.00 0.00 N ATOM 1308 CA LYS C 86 48.588 -4.749 10.642 1.00 0.00 C ATOM 1309 C LYS C 86 49.211 -4.226 11.938 1.00 0.00 C ATOM 1310 O LYS C 86 50.340 -3.777 11.959 1.00 0.00 O ATOM 1311 CB LYS C 86 48.820 -6.254 10.502 1.00 0.00 C ATOM 1312 CG LYS C 86 48.044 -6.778 9.292 1.00 0.00 C ATOM 1313 CD LYS C 86 48.700 -8.062 8.780 1.00 0.00 C ATOM 1314 CE LYS C 86 47.885 -8.620 7.611 1.00 0.00 C ATOM 1315 NZ LYS C 86 47.692 -10.063 7.929 1.00 0.00 N ATOM 0 H LYS C 86 50.185 -4.539 9.240 1.00 0.00 H new ATOM 0 HA LYS C 86 47.527 -4.502 10.679 1.00 0.00 H new ATOM 0 HB2 LYS C 86 49.884 -6.459 10.382 1.00 0.00 H new ATOM 0 HB3 LYS C 86 48.496 -6.769 11.406 1.00 0.00 H new ATOM 0 HG2 LYS C 86 47.007 -6.972 9.568 1.00 0.00 H new ATOM 0 HG3 LYS C 86 48.029 -6.026 8.503 1.00 0.00 H new ATOM 0 HD2 LYS C 86 49.722 -7.858 8.460 1.00 0.00 H new ATOM 0 HD3 LYS C 86 48.757 -8.798 9.582 1.00 0.00 H new ATOM 0 HE2 LYS C 86 46.929 -8.106 7.516 1.00 0.00 H new ATOM 0 HE3 LYS C 86 48.412 -8.491 6.666 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 47.141 -10.515 7.172 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 48.619 -10.528 8.007 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 47.182 -10.155 8.831 1.00 0.00 H new ATOM 1329 N ASP C 87 48.483 -4.277 13.020 1.00 0.00 N ATOM 1330 CA ASP C 87 49.036 -3.778 14.312 1.00 0.00 C ATOM 1331 C ASP C 87 49.450 -2.309 14.178 1.00 0.00 C ATOM 1332 O ASP C 87 50.607 -1.997 13.982 1.00 0.00 O ATOM 1333 CB ASP C 87 50.256 -4.658 14.587 1.00 0.00 C ATOM 1334 CG ASP C 87 49.880 -5.757 15.582 1.00 0.00 C ATOM 1335 OD1 ASP C 87 48.935 -5.558 16.327 1.00 0.00 O ATOM 1336 OD2 ASP C 87 50.544 -6.781 15.582 1.00 0.00 O ATOM 0 H ASP C 87 47.531 -4.642 13.066 1.00 0.00 H new ATOM 0 HA ASP C 87 48.307 -3.829 15.121 1.00 0.00 H new ATOM 0 HB2 ASP C 87 50.614 -5.101 13.658 1.00 0.00 H new ATOM 0 HB3 ASP C 87 51.070 -4.054 14.987 1.00 0.00 H new ATOM 1341 N ASP C 88 48.512 -1.408 14.281 1.00 0.00 N ATOM 1342 CA ASP C 88 48.853 0.040 14.158 1.00 0.00 C ATOM 1343 C ASP C 88 49.225 0.614 15.527 1.00 0.00 C ATOM 1344 O ASP C 88 49.050 1.787 15.787 1.00 0.00 O ATOM 1345 CB ASP C 88 47.580 0.703 13.627 1.00 0.00 C ATOM 1346 CG ASP C 88 47.929 1.593 12.433 1.00 0.00 C ATOM 1347 OD1 ASP C 88 48.486 1.079 11.478 1.00 0.00 O ATOM 1348 OD2 ASP C 88 47.634 2.776 12.496 1.00 0.00 O ATOM 0 H ASP C 88 47.526 -1.610 14.445 1.00 0.00 H new ATOM 0 HA ASP C 88 49.706 0.209 13.501 1.00 0.00 H new ATOM 0 HB2 ASP C 88 46.858 -0.057 13.329 1.00 0.00 H new ATOM 0 HB3 ASP C 88 47.112 1.297 14.412 1.00 0.00 H new ATOM 1353 N SER C 89 49.739 -0.205 16.404 1.00 0.00 N ATOM 1354 CA SER C 89 50.123 0.296 17.755 1.00 0.00 C ATOM 1355 C SER C 89 48.954 1.055 18.389 1.00 0.00 C ATOM 1356 O SER C 89 49.159 1.657 19.430 1.00 0.00 O ATOM 1357 CB SER C 89 51.302 1.235 17.508 1.00 0.00 C ATOM 1358 OG SER C 89 52.359 0.907 18.398 1.00 0.00 O ATOM 1359 OXT SER C 89 47.874 1.021 17.822 1.00 0.00 O ATOM 0 H SER C 89 49.909 -1.198 16.244 1.00 0.00 H new ATOM 0 HA SER C 89 50.383 -0.513 18.438 1.00 0.00 H new ATOM 0 HB2 SER C 89 51.641 1.148 16.476 1.00 0.00 H new ATOM 0 HB3 SER C 89 50.994 2.270 17.657 1.00 0.00 H new ATOM 0 HG SER C 89 53.118 1.507 18.240 1.00 0.00 H new TER 1365 SER C 89 ATOM 1366 N ARG I 1 57.982 5.009 7.827 1.00 0.00 N ATOM 1367 CA ARG I 1 56.738 5.731 7.434 1.00 0.00 C ATOM 1368 C ARG I 1 56.986 6.555 6.168 1.00 0.00 C ATOM 1369 O ARG I 1 57.838 7.421 6.135 1.00 0.00 O ATOM 1370 CB ARG I 1 56.423 6.648 8.617 1.00 0.00 C ATOM 1371 CG ARG I 1 54.915 6.646 8.879 1.00 0.00 C ATOM 1372 CD ARG I 1 54.641 7.179 10.287 1.00 0.00 C ATOM 1373 NE ARG I 1 55.295 6.202 11.202 1.00 0.00 N ATOM 1374 CZ ARG I 1 56.182 6.610 12.068 1.00 0.00 C ATOM 1375 NH1 ARG I 1 57.149 7.400 11.688 1.00 0.00 N ATOM 1376 NH2 ARG I 1 56.101 6.228 13.313 1.00 0.00 N ATOM 0 H1 ARG I 1 57.803 4.453 8.687 1.00 0.00 H new ATOM 0 H2 ARG I 1 58.272 4.373 7.057 1.00 0.00 H new ATOM 0 H3 ARG I 1 58.740 5.697 8.011 1.00 0.00 H new ATOM 0 HA ARG I 1 55.915 5.050 7.215 1.00 0.00 H new ATOM 0 HB2 ARG I 1 56.957 6.310 9.505 1.00 0.00 H new ATOM 0 HB3 ARG I 1 56.765 7.661 8.406 1.00 0.00 H new ATOM 0 HG2 ARG I 1 54.406 7.264 8.139 1.00 0.00 H new ATOM 0 HG3 ARG I 1 54.519 5.636 8.778 1.00 0.00 H new ATOM 0 HD2 ARG I 1 55.053 8.179 10.418 1.00 0.00 H new ATOM 0 HD3 ARG I 1 53.571 7.247 10.482 1.00 0.00 H new ATOM 0 HE ARG I 1 55.049 5.213 11.152 1.00 0.00 H new ATOM 0 HH11 ARG I 1 57.211 7.698 10.715 1.00 0.00 H new ATOM 0 HH12 ARG I 1 57.842 7.719 12.364 1.00 0.00 H new ATOM 0 HH21 ARG I 1 55.345 5.611 13.609 1.00 0.00 H new ATOM 0 HH22 ARG I 1 56.794 6.547 13.990 1.00 0.00 H new ATOM 1392 N ILE I 2 56.251 6.291 5.122 1.00 0.00 N ATOM 1393 CA ILE I 2 56.451 7.059 3.860 1.00 0.00 C ATOM 1394 C ILE I 2 55.129 7.190 3.100 1.00 0.00 C ATOM 1395 O ILE I 2 55.043 6.879 1.929 1.00 0.00 O ATOM 1396 CB ILE I 2 57.450 6.232 3.051 1.00 0.00 C ATOM 1397 CG1 ILE I 2 57.874 7.019 1.810 1.00 0.00 C ATOM 1398 CG2 ILE I 2 56.794 4.919 2.621 1.00 0.00 C ATOM 1399 CD1 ILE I 2 58.731 6.129 0.908 1.00 0.00 C ATOM 0 H ILE I 2 55.522 5.578 5.087 1.00 0.00 H new ATOM 0 HA ILE I 2 56.810 8.071 4.047 1.00 0.00 H new ATOM 0 HB ILE I 2 58.326 6.018 3.664 1.00 0.00 H new ATOM 0 HG12 ILE I 2 56.994 7.364 1.267 1.00 0.00 H new ATOM 0 HG13 ILE I 2 58.436 7.906 2.103 1.00 0.00 H new ATOM 0 HG21 ILE I 2 57.506 4.329 2.044 1.00 0.00 H new ATOM 0 HG22 ILE I 2 56.489 4.358 3.505 1.00 0.00 H new ATOM 0 HG23 ILE I 2 55.919 5.133 2.008 1.00 0.00 H new ATOM 0 HD11 ILE I 2 59.033 6.690 0.024 1.00 0.00 H new ATOM 0 HD12 ILE I 2 59.618 5.806 1.453 1.00 0.00 H new ATOM 0 HD13 ILE I 2 58.154 5.256 0.604 1.00 0.00 H new ATOM 1411 N SER I 3 54.097 7.647 3.754 1.00 0.00 N ATOM 1412 CA SER I 3 52.786 7.792 3.060 1.00 0.00 C ATOM 1413 C SER I 3 52.476 6.523 2.261 1.00 0.00 C ATOM 1414 O SER I 3 52.494 6.523 1.046 1.00 0.00 O ATOM 1415 CB SER I 3 52.964 8.985 2.124 1.00 0.00 C ATOM 1416 OG SER I 3 52.117 10.046 2.547 1.00 0.00 O ATOM 0 H SER I 3 54.104 7.925 4.735 1.00 0.00 H new ATOM 0 HA SER I 3 51.961 7.942 3.756 1.00 0.00 H new ATOM 0 HB2 SER I 3 54.004 9.312 2.127 1.00 0.00 H new ATOM 0 HB3 SER I 3 52.723 8.698 1.101 1.00 0.00 H new ATOM 0 HG SER I 3 52.231 10.814 1.949 1.00 0.00 H new ATOM 1422 N ALA I 4 52.196 5.442 2.935 1.00 0.00 N ATOM 1423 CA ALA I 4 51.891 4.170 2.218 1.00 0.00 C ATOM 1424 C ALA I 4 50.857 4.408 1.114 1.00 0.00 C ATOM 1425 O ALA I 4 51.079 4.084 -0.036 1.00 0.00 O ATOM 1426 CB ALA I 4 51.323 3.241 3.292 1.00 0.00 C ATOM 0 H ALA I 4 52.165 5.384 3.953 1.00 0.00 H new ATOM 0 HA ALA I 4 52.773 3.750 1.734 1.00 0.00 H new ATOM 0 HB1 ALA I 4 51.072 2.279 2.845 1.00 0.00 H new ATOM 0 HB2 ALA I 4 52.066 3.094 4.076 1.00 0.00 H new ATOM 0 HB3 ALA I 4 50.426 3.687 3.721 1.00 0.00 H new ATOM 1432 N ASP I 5 49.727 4.965 1.454 1.00 0.00 N ATOM 1433 CA ASP I 5 48.679 5.213 0.422 1.00 0.00 C ATOM 1434 C ASP I 5 49.073 6.392 -0.473 1.00 0.00 C ATOM 1435 O ASP I 5 48.735 6.436 -1.640 1.00 0.00 O ATOM 1436 CB ASP I 5 47.413 5.540 1.216 1.00 0.00 C ATOM 1437 CG ASP I 5 46.340 4.489 0.921 1.00 0.00 C ATOM 1438 OD1 ASP I 5 46.491 3.776 -0.057 1.00 0.00 O ATOM 1439 OD2 ASP I 5 45.388 4.416 1.680 1.00 0.00 O ATOM 0 H ASP I 5 49.484 5.259 2.400 1.00 0.00 H new ATOM 0 HA ASP I 5 48.540 4.355 -0.236 1.00 0.00 H new ATOM 0 HB2 ASP I 5 47.635 5.559 2.283 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.049 6.532 0.948 1.00 0.00 H new ATOM 1444 N ALA I 6 49.781 7.350 0.059 1.00 0.00 N ATOM 1445 CA ALA I 6 50.189 8.523 -0.768 1.00 0.00 C ATOM 1446 C ALA I 6 51.292 8.123 -1.752 1.00 0.00 C ATOM 1447 O ALA I 6 51.423 8.692 -2.817 1.00 0.00 O ATOM 1448 CB ALA I 6 50.710 9.553 0.233 1.00 0.00 C ATOM 0 H ALA I 6 50.095 7.372 1.029 1.00 0.00 H new ATOM 0 HA ALA I 6 49.363 8.914 -1.362 1.00 0.00 H new ATOM 0 HB1 ALA I 6 51.031 10.448 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA I 6 49.917 9.813 0.934 1.00 0.00 H new ATOM 0 HB3 ALA I 6 51.555 9.134 0.780 1.00 0.00 H new ATOM 1454 N MET I 7 52.088 7.150 -1.402 1.00 0.00 N ATOM 1455 CA MET I 7 53.183 6.716 -2.317 1.00 0.00 C ATOM 1456 C MET I 7 52.601 6.172 -3.625 1.00 0.00 C ATOM 1457 O MET I 7 53.180 6.318 -4.682 1.00 0.00 O ATOM 1458 CB MET I 7 53.919 5.614 -1.557 1.00 0.00 C ATOM 1459 CG MET I 7 55.140 5.165 -2.363 1.00 0.00 C ATOM 1460 SD MET I 7 55.450 3.407 -2.061 1.00 0.00 S ATOM 1461 CE MET I 7 56.090 3.003 -3.705 1.00 0.00 C ATOM 0 H MET I 7 52.028 6.637 -0.523 1.00 0.00 H new ATOM 0 HA MET I 7 53.845 7.539 -2.586 1.00 0.00 H new ATOM 0 HB2 MET I 7 54.230 5.978 -0.578 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.253 4.769 -1.385 1.00 0.00 H new ATOM 0 HG2 MET I 7 54.971 5.338 -3.426 1.00 0.00 H new ATOM 0 HG3 MET I 7 56.013 5.753 -2.079 1.00 0.00 H new ATOM 0 HE1 MET I 7 55.638 2.074 -4.053 1.00 0.00 H new ATOM 0 HE2 MET I 7 55.846 3.808 -4.398 1.00 0.00 H new ATOM 0 HE3 MET I 7 57.172 2.884 -3.655 1.00 0.00 H new ATOM 1471 N MET I 8 51.460 5.542 -3.563 1.00 0.00 N ATOM 1472 CA MET I 8 50.849 4.988 -4.807 1.00 0.00 C ATOM 1473 C MET I 8 50.272 6.120 -5.664 1.00 0.00 C ATOM 1474 O MET I 8 49.907 5.922 -6.805 1.00 0.00 O ATOM 1475 CB MET I 8 49.732 4.063 -4.323 1.00 0.00 C ATOM 1476 CG MET I 8 50.310 2.680 -4.017 1.00 0.00 C ATOM 1477 SD MET I 8 51.573 2.827 -2.728 1.00 0.00 S ATOM 1478 CE MET I 8 53.018 2.746 -3.815 1.00 0.00 C ATOM 0 H MET I 8 50.925 5.387 -2.709 1.00 0.00 H new ATOM 0 HA MET I 8 51.577 4.461 -5.424 1.00 0.00 H new ATOM 0 HB2 MET I 8 49.263 4.478 -3.431 1.00 0.00 H new ATOM 0 HB3 MET I 8 48.956 3.984 -5.084 1.00 0.00 H new ATOM 0 HG2 MET I 8 49.518 2.007 -3.690 1.00 0.00 H new ATOM 0 HG3 MET I 8 50.744 2.247 -4.919 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.642 1.900 -3.528 1.00 0.00 H new ATOM 0 HE2 MET I 8 52.690 2.622 -4.847 1.00 0.00 H new ATOM 0 HE3 MET I 8 53.593 3.668 -3.725 1.00 0.00 H new ATOM 1488 N GLN I 9 50.180 7.302 -5.119 1.00 0.00 N ATOM 1489 CA GLN I 9 49.618 8.441 -5.903 1.00 0.00 C ATOM 1490 C GLN I 9 50.703 9.115 -6.751 1.00 0.00 C ATOM 1491 O GLN I 9 50.563 9.261 -7.949 1.00 0.00 O ATOM 1492 CB GLN I 9 49.085 9.416 -4.852 1.00 0.00 C ATOM 1493 CG GLN I 9 47.867 8.806 -4.157 1.00 0.00 C ATOM 1494 CD GLN I 9 46.589 9.296 -4.842 1.00 0.00 C ATOM 1495 OE1 GLN I 9 46.377 10.484 -4.980 1.00 0.00 O ATOM 1496 NE2 GLN I 9 45.724 8.423 -5.282 1.00 0.00 N ATOM 0 H GLN I 9 50.468 7.529 -4.167 1.00 0.00 H new ATOM 0 HA GLN I 9 48.844 8.111 -6.596 1.00 0.00 H new ATOM 0 HB2 GLN I 9 49.861 9.637 -4.120 1.00 0.00 H new ATOM 0 HB3 GLN I 9 48.813 10.361 -5.323 1.00 0.00 H new ATOM 0 HG2 GLN I 9 47.919 7.718 -4.197 1.00 0.00 H new ATOM 0 HG3 GLN I 9 47.858 9.086 -3.104 1.00 0.00 H new ATOM 0 HE21 GLN I 9 45.902 7.425 -5.166 1.00 0.00 H new ATOM 0 HE22 GLN I 9 44.870 8.738 -5.742 1.00 0.00 H new ATOM 1505 N ALA I 10 51.775 9.542 -6.140 1.00 0.00 N ATOM 1506 CA ALA I 10 52.855 10.224 -6.917 1.00 0.00 C ATOM 1507 C ALA I 10 53.822 9.208 -7.525 1.00 0.00 C ATOM 1508 O ALA I 10 54.060 9.196 -8.716 1.00 0.00 O ATOM 1509 CB ALA I 10 53.590 11.086 -5.893 1.00 0.00 C ATOM 0 H ALA I 10 51.951 9.449 -5.140 1.00 0.00 H new ATOM 0 HA ALA I 10 52.446 10.805 -7.744 1.00 0.00 H new ATOM 0 HB1 ALA I 10 54.402 11.622 -6.385 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.895 11.802 -5.455 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.999 10.450 -5.108 1.00 0.00 H new ATOM 1515 N LEU I 11 54.393 8.367 -6.711 1.00 0.00 N ATOM 1516 CA LEU I 11 55.362 7.364 -7.231 1.00 0.00 C ATOM 1517 C LEU I 11 54.720 6.490 -8.312 1.00 0.00 C ATOM 1518 O LEU I 11 54.870 6.740 -9.492 1.00 0.00 O ATOM 1519 CB LEU I 11 55.739 6.523 -6.013 1.00 0.00 C ATOM 1520 CG LEU I 11 57.216 6.726 -5.688 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.543 6.009 -4.378 1.00 0.00 C ATOM 1522 CD2 LEU I 11 58.072 6.148 -6.818 1.00 0.00 C ATOM 0 H LEU I 11 54.230 8.331 -5.705 1.00 0.00 H new ATOM 0 HA LEU I 11 56.229 7.835 -7.695 1.00 0.00 H new ATOM 0 HB2 LEU I 11 55.126 6.808 -5.158 1.00 0.00 H new ATOM 0 HB3 LEU I 11 55.541 5.469 -6.211 1.00 0.00 H new ATOM 0 HG LEU I 11 57.428 7.790 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU I 11 58.597 6.150 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU I 11 56.931 6.421 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU I 11 57.334 4.944 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU I 11 59.127 6.293 -6.586 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.866 5.083 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU I 11 57.833 6.656 -7.752 1.00 0.00 H new ATOM 1534 N LEU I 12 54.014 5.463 -7.923 1.00 0.00 N ATOM 1535 CA LEU I 12 53.377 4.575 -8.938 1.00 0.00 C ATOM 1536 C LEU I 12 51.860 4.782 -8.947 1.00 0.00 C ATOM 1537 O LEU I 12 51.163 4.387 -8.034 1.00 0.00 O ATOM 1538 CB LEU I 12 53.714 3.140 -8.500 1.00 0.00 C ATOM 1539 CG LEU I 12 55.219 2.974 -8.197 1.00 0.00 C ATOM 1540 CD1 LEU I 12 56.067 3.944 -9.028 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.474 3.225 -6.708 1.00 0.00 C ATOM 0 H LEU I 12 53.851 5.201 -6.951 1.00 0.00 H new ATOM 0 HA LEU I 12 53.738 4.787 -9.944 1.00 0.00 H new ATOM 0 HB2 LEU I 12 53.134 2.884 -7.613 1.00 0.00 H new ATOM 0 HB3 LEU I 12 53.422 2.442 -9.284 1.00 0.00 H new ATOM 0 HG LEU I 12 55.506 1.956 -8.461 1.00 0.00 H new ATOM 0 HD11 LEU I 12 57.121 3.801 -8.791 1.00 0.00 H new ATOM 0 HD12 LEU I 12 55.905 3.752 -10.089 1.00 0.00 H new ATOM 0 HD13 LEU I 12 55.779 4.969 -8.796 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.537 3.107 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU I 12 55.163 4.238 -6.451 1.00 0.00 H new ATOM 0 HD23 LEU I 12 54.904 2.509 -6.116 1.00 0.00 H new ATOM 1553 N GLY I 13 51.343 5.393 -9.978 1.00 0.00 N ATOM 1554 CA GLY I 13 49.872 5.619 -10.051 1.00 0.00 C ATOM 1555 C GLY I 13 49.209 4.408 -10.709 1.00 0.00 C ATOM 1556 O GLY I 13 49.559 4.016 -11.804 1.00 0.00 O ATOM 0 H GLY I 13 51.876 5.745 -10.773 1.00 0.00 H new ATOM 0 HA2 GLY I 13 49.466 5.773 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY I 13 49.659 6.521 -10.624 1.00 0.00 H new ATOM 1560 N ALA I 14 48.257 3.808 -10.048 1.00 0.00 N ATOM 1561 CA ALA I 14 47.578 2.617 -10.637 1.00 0.00 C ATOM 1562 C ALA I 14 46.205 3.004 -11.191 1.00 0.00 C ATOM 1563 O ALA I 14 45.754 2.470 -12.186 1.00 0.00 O ATOM 1564 CB ALA I 14 47.427 1.634 -9.477 1.00 0.00 C ATOM 0 H ALA I 14 47.920 4.090 -9.127 1.00 0.00 H new ATOM 0 HA ALA I 14 48.144 2.191 -11.465 1.00 0.00 H new ATOM 0 HB1 ALA I 14 46.934 0.728 -9.830 1.00 0.00 H new ATOM 0 HB2 ALA I 14 48.412 1.382 -9.083 1.00 0.00 H new ATOM 0 HB3 ALA I 14 46.827 2.090 -8.689 1.00 0.00 H new ATOM 1570 N ARG I 15 45.534 3.923 -10.554 1.00 0.00 N ATOM 1571 CA ARG I 15 44.189 4.334 -11.045 1.00 0.00 C ATOM 1572 C ARG I 15 43.297 3.103 -11.224 1.00 0.00 C ATOM 1573 O ARG I 15 43.209 2.539 -12.296 1.00 0.00 O ATOM 1574 CB ARG I 15 44.449 5.012 -12.390 1.00 0.00 C ATOM 1575 CG ARG I 15 43.121 5.477 -12.992 1.00 0.00 C ATOM 1576 CD ARG I 15 42.550 6.616 -12.147 1.00 0.00 C ATOM 1577 NE ARG I 15 43.201 7.848 -12.672 1.00 0.00 N ATOM 1578 CZ ARG I 15 42.476 8.793 -13.205 1.00 0.00 C ATOM 1579 NH1 ARG I 15 41.580 8.499 -14.107 1.00 0.00 N ATOM 1580 NH2 ARG I 15 42.646 10.033 -12.834 1.00 0.00 N ATOM 0 H ARG I 15 45.858 4.406 -9.716 1.00 0.00 H new ATOM 0 HA ARG I 15 43.677 4.998 -10.349 1.00 0.00 H new ATOM 0 HB2 ARG I 15 45.118 5.862 -12.257 1.00 0.00 H new ATOM 0 HB3 ARG I 15 44.945 4.319 -13.069 1.00 0.00 H new ATOM 0 HG2 ARG I 15 43.272 5.812 -14.018 1.00 0.00 H new ATOM 0 HG3 ARG I 15 42.415 4.647 -13.028 1.00 0.00 H new ATOM 0 HD2 ARG I 15 41.465 6.672 -12.241 1.00 0.00 H new ATOM 0 HD3 ARG I 15 42.771 6.472 -11.089 1.00 0.00 H new ATOM 0 HE ARG I 15 44.214 7.953 -12.615 1.00 0.00 H new ATOM 0 HH11 ARG I 15 41.446 7.530 -14.396 1.00 0.00 H new ATOM 0 HH12 ARG I 15 41.014 9.238 -14.523 1.00 0.00 H new ATOM 0 HH21 ARG I 15 43.345 10.263 -12.128 1.00 0.00 H new ATOM 0 HH22 ARG I 15 42.080 10.772 -13.250 1.00 0.00 H new ATOM 1594 N ALA I 16 42.637 2.680 -10.180 1.00 0.00 N ATOM 1595 CA ALA I 16 41.754 1.482 -10.289 1.00 0.00 C ATOM 1596 C ALA I 16 40.750 1.662 -11.430 1.00 0.00 C ATOM 1597 O ALA I 16 40.600 2.737 -11.976 1.00 0.00 O ATOM 1598 CB ALA I 16 41.030 1.403 -8.945 1.00 0.00 C ATOM 0 H ALA I 16 42.671 3.112 -9.256 1.00 0.00 H new ATOM 0 HA ALA I 16 42.316 0.574 -10.505 1.00 0.00 H new ATOM 0 HB1 ALA I 16 40.358 0.545 -8.944 1.00 0.00 H new ATOM 0 HB2 ALA I 16 41.761 1.293 -8.144 1.00 0.00 H new ATOM 0 HB3 ALA I 16 40.454 2.315 -8.788 1.00 0.00 H new ATOM 1604 N LYS I 17 40.060 0.615 -11.793 1.00 0.00 N ATOM 1605 CA LYS I 17 39.064 0.722 -12.898 1.00 0.00 C ATOM 1606 C LYS I 17 37.718 0.143 -12.454 1.00 0.00 C ATOM 1607 O LYS I 17 37.727 -0.819 -11.703 1.00 0.00 O ATOM 1608 CB LYS I 17 39.651 -0.105 -14.042 1.00 0.00 C ATOM 1609 CG LYS I 17 40.194 0.831 -15.123 1.00 0.00 C ATOM 1610 CD LYS I 17 41.671 1.121 -14.851 1.00 0.00 C ATOM 1611 CE LYS I 17 41.995 2.558 -15.264 1.00 0.00 C ATOM 1612 NZ LYS I 17 43.002 2.429 -16.353 1.00 0.00 N ATOM 1613 OXT LYS I 17 36.701 0.672 -12.872 1.00 0.00 O ATOM 0 H LYS I 17 40.143 -0.310 -11.372 1.00 0.00 H new ATOM 0 HA LYS I 17 38.884 1.756 -13.193 1.00 0.00 H new ATOM 0 HB2 LYS I 17 40.448 -0.747 -13.668 1.00 0.00 H new ATOM 0 HB3 LYS I 17 38.886 -0.758 -14.462 1.00 0.00 H new ATOM 0 HG2 LYS I 17 40.077 0.375 -16.106 1.00 0.00 H new ATOM 0 HG3 LYS I 17 39.626 1.761 -15.133 1.00 0.00 H new ATOM 0 HD2 LYS I 17 41.892 0.977 -13.793 1.00 0.00 H new ATOM 0 HD3 LYS I 17 42.298 0.422 -15.405 1.00 0.00 H new ATOM 0 HE2 LYS I 17 41.103 3.079 -15.611 1.00 0.00 H new ATOM 0 HE3 LYS I 17 42.392 3.130 -14.425 1.00 0.00 H new ATOM 0 HZ1 LYS I 17 43.274 3.375 -16.688 1.00 0.00 H new ATOM 0 HZ2 LYS I 17 43.843 1.935 -15.992 1.00 0.00 H new ATOM 0 HZ3 LYS I 17 42.594 1.886 -17.141 1.00 0.00 H new TER 1627 LYS I 17 HETATM 1628 CA CA C 90 69.596 -4.549 4.728 1.00 0.00 CA