USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 859 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 69 SER OG : rot -148:sc= 1.33 USER MOD Set 1.2: A 76 GLN : amide:sc= 1.07 K(o=2.4,f=-2.8!) USER MOD Set 2.1: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 37 GLN : amide:sc= 0.89 K(o=1.7,f=0) USER MOD Set 3.2: A 41 GLN : amide:sc= 0.783 K(o=1.7,f=-1.9!) USER MOD Set 4.1: A 36 SER OG : rot 180:sc= 0.379 USER MOD Set 4.2: A 87 CYS SG : rot 168:sc= 0.381 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 4 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 92:sc= 1.21 USER MOD Single : A 10 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -61:sc= 1.18 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0215 X(o=-0.022,f=-0.012) USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 0.778 (180deg=0.761) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.17) USER MOD Single : A 32 GLN : amide:sc= 0.575 K(o=0.58,f=-7.4!) USER MOD Single : A 33 CYS SG : rot 180:sc=-0.00938 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 68:sc= 1.25 USER MOD Single : A 47 ASN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.147 K(o=-0.15,f=-4.9!) USER MOD Single : A 58 ASN : amide:sc= 0.51 K(o=0.51,f=0) USER MOD Single : A 63 GLN : amide:sc= 0.946 K(o=0.95,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 72:sc= 1.24 USER MOD Single : A 73 THR OG1 : rot -13:sc= 1.15 USER MOD Single : A 78 TYR OH : rot -108:sc= 0.0866 USER MOD Single : A 90 THR OG1 : rot -39:sc= 0.142 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -161:sc= 1.22 (180deg=1.14) USER MOD Single : A 96 SER OG : rot 77:sc= 1.22 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 102 GLN : amide:sc= -0.0713 X(o=-0.071,f=-0.11) USER MOD Single : A 105 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.17) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 CYS SG : rot -75:sc= 0.204 USER MOD Single : A 109 SER OG : rot -56:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.917 0.351 -9.622 1.00 0.00 N ATOM 2 CA MET A 1 -3.625 0.428 -8.871 1.00 0.00 C ATOM 3 C MET A 1 -3.667 1.547 -7.820 1.00 0.00 C ATOM 4 O MET A 1 -4.229 2.613 -8.073 1.00 0.00 O ATOM 5 CB MET A 1 -2.404 0.640 -9.799 1.00 0.00 C ATOM 6 CG MET A 1 -2.096 -0.560 -10.709 1.00 0.00 C ATOM 7 SD MET A 1 -0.613 -0.335 -11.732 1.00 0.00 S ATOM 8 CE MET A 1 -0.607 -1.918 -12.618 1.00 0.00 C ATOM 0 H1 MET A 1 -4.864 -0.412 -10.326 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.693 0.156 -8.958 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.093 1.255 -10.104 1.00 0.00 H new ATOM 0 HA MET A 1 -3.504 -0.536 -8.377 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.580 1.518 -10.420 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.528 0.853 -9.187 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.970 -1.450 -10.092 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.952 -0.741 -11.359 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.245 -1.952 -13.297 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.533 -2.736 -11.901 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.530 -2.019 -13.189 1.00 0.00 H new ATOM 20 N ALA A 2 -3.061 1.329 -6.646 1.00 0.00 N ATOM 21 CA ALA A 2 -2.971 2.325 -5.568 1.00 0.00 C ATOM 22 C ALA A 2 -1.942 3.435 -5.871 1.00 0.00 C ATOM 23 O ALA A 2 -0.973 3.213 -6.599 1.00 0.00 O ATOM 24 CB ALA A 2 -2.639 1.592 -4.259 1.00 0.00 C ATOM 0 H ALA A 2 -2.612 0.443 -6.414 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.931 2.834 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.568 2.314 -3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.425 0.871 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.688 1.070 -4.365 1.00 0.00 H new ATOM 30 N LEU A 3 -2.166 4.629 -5.300 1.00 0.00 N ATOM 31 CA LEU A 3 -1.315 5.842 -5.330 1.00 0.00 C ATOM 32 C LEU A 3 -1.319 6.567 -6.677 1.00 0.00 C ATOM 33 O LEU A 3 -1.559 7.771 -6.723 1.00 0.00 O ATOM 34 CB LEU A 3 0.130 5.555 -4.853 1.00 0.00 C ATOM 35 CG LEU A 3 0.271 4.830 -3.499 1.00 0.00 C ATOM 36 CD1 LEU A 3 1.759 4.708 -3.148 1.00 0.00 C ATOM 37 CD2 LEU A 3 -0.470 5.559 -2.367 1.00 0.00 C ATOM 0 H LEU A 3 -3.016 4.790 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.775 6.526 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.629 4.957 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.664 6.503 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.181 3.843 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.866 4.196 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.270 4.138 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.199 5.703 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.341 5.010 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.064 6.564 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.531 5.621 -2.608 1.00 0.00 H new ATOM 49 N THR A 4 -1.068 5.845 -7.768 1.00 0.00 N ATOM 50 CA THR A 4 -0.912 6.325 -9.143 1.00 0.00 C ATOM 51 C THR A 4 -1.968 7.348 -9.594 1.00 0.00 C ATOM 52 O THR A 4 -1.551 8.436 -10.000 1.00 0.00 O ATOM 53 CB THR A 4 -0.795 5.107 -10.068 1.00 0.00 C ATOM 54 OG1 THR A 4 0.171 4.236 -9.523 1.00 0.00 O ATOM 55 CG2 THR A 4 -0.284 5.515 -11.432 1.00 0.00 C ATOM 0 H THR A 4 -0.960 4.832 -7.711 1.00 0.00 H new ATOM 0 HA THR A 4 0.006 6.910 -9.197 1.00 0.00 H new ATOM 0 HB THR A 4 -1.778 4.644 -10.159 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.262 3.447 -10.098 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.209 4.635 -12.071 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.973 6.231 -11.880 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.699 5.974 -11.330 1.00 0.00 H new ATOM 63 N PRO A 5 -3.289 7.087 -9.496 1.00 0.00 N ATOM 64 CA PRO A 5 -4.311 8.013 -9.993 1.00 0.00 C ATOM 65 C PRO A 5 -4.547 9.240 -9.093 1.00 0.00 C ATOM 66 O PRO A 5 -5.215 10.176 -9.535 1.00 0.00 O ATOM 67 CB PRO A 5 -5.587 7.170 -10.112 1.00 0.00 C ATOM 68 CG PRO A 5 -5.429 6.143 -8.994 1.00 0.00 C ATOM 69 CD PRO A 5 -3.930 5.858 -9.029 1.00 0.00 C ATOM 0 HA PRO A 5 -3.988 8.444 -10.941 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.484 7.775 -9.980 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -5.666 6.693 -11.089 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.746 6.539 -8.029 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -6.019 5.245 -9.179 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.564 5.580 -8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.708 5.026 -9.697 1.00 0.00 H new ATOM 77 N ALA A 6 -4.030 9.257 -7.853 1.00 0.00 N ATOM 78 CA ALA A 6 -4.299 10.316 -6.874 1.00 0.00 C ATOM 79 C ALA A 6 -3.003 10.990 -6.399 1.00 0.00 C ATOM 80 O ALA A 6 -2.711 12.113 -6.815 1.00 0.00 O ATOM 81 CB ALA A 6 -5.116 9.703 -5.724 1.00 0.00 C ATOM 0 H ALA A 6 -3.409 8.528 -7.502 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.881 11.116 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.330 10.471 -4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.052 9.305 -6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.545 8.898 -5.261 1.00 0.00 H new ATOM 87 N LEU A 7 -2.205 10.300 -5.573 1.00 0.00 N ATOM 88 CA LEU A 7 -0.960 10.816 -4.998 1.00 0.00 C ATOM 89 C LEU A 7 0.058 11.131 -6.091 1.00 0.00 C ATOM 90 O LEU A 7 0.432 12.285 -6.268 1.00 0.00 O ATOM 91 CB LEU A 7 -0.419 9.797 -3.965 1.00 0.00 C ATOM 92 CG LEU A 7 0.927 10.205 -3.327 1.00 0.00 C ATOM 93 CD1 LEU A 7 0.807 11.528 -2.563 1.00 0.00 C ATOM 94 CD2 LEU A 7 1.431 9.110 -2.381 1.00 0.00 C ATOM 0 H LEU A 7 -2.414 9.345 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.155 11.756 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.159 9.667 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.300 8.829 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 7 1.643 10.338 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.772 11.785 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.497 12.317 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.067 11.424 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.380 9.417 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.700 8.949 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.572 8.184 -2.938 1.00 0.00 H new ATOM 106 N LYS A 8 0.499 10.127 -6.854 1.00 0.00 N ATOM 107 CA LYS A 8 1.596 10.315 -7.819 1.00 0.00 C ATOM 108 C LYS A 8 1.201 11.254 -8.971 1.00 0.00 C ATOM 109 O LYS A 8 2.041 12.017 -9.448 1.00 0.00 O ATOM 110 CB LYS A 8 2.108 8.958 -8.328 1.00 0.00 C ATOM 111 CG LYS A 8 2.531 8.014 -7.185 1.00 0.00 C ATOM 112 CD LYS A 8 3.434 6.858 -7.647 1.00 0.00 C ATOM 113 CE LYS A 8 2.778 5.994 -8.736 1.00 0.00 C ATOM 114 NZ LYS A 8 3.635 4.839 -9.119 1.00 0.00 N ATOM 0 H LYS A 8 0.119 9.181 -6.826 1.00 0.00 H new ATOM 0 HA LYS A 8 2.417 10.806 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.328 8.479 -8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.957 9.121 -8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.054 8.591 -6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.638 7.602 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.372 7.264 -8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.681 6.231 -6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.815 5.629 -8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.580 6.607 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.157 4.281 -9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.544 5.187 -9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.803 4.240 -8.286 1.00 0.00 H new ATOM 128 N THR A 9 -0.089 11.270 -9.345 1.00 0.00 N ATOM 129 CA THR A 9 -0.700 12.220 -10.286 1.00 0.00 C ATOM 130 C THR A 9 -0.640 13.657 -9.758 1.00 0.00 C ATOM 131 O THR A 9 -0.228 14.542 -10.503 1.00 0.00 O ATOM 132 CB THR A 9 -2.118 11.744 -10.593 1.00 0.00 C ATOM 133 OG1 THR A 9 -2.041 10.646 -11.471 1.00 0.00 O ATOM 134 CG2 THR A 9 -2.986 12.798 -11.261 1.00 0.00 C ATOM 0 H THR A 9 -0.761 10.593 -8.984 1.00 0.00 H new ATOM 0 HA THR A 9 -0.136 12.244 -11.218 1.00 0.00 H new ATOM 0 HB THR A 9 -2.576 11.494 -9.636 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.022 9.814 -10.953 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.978 12.387 -11.448 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.070 13.667 -10.608 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.533 13.097 -12.206 1.00 0.00 H new ATOM 142 N THR A 10 -0.991 13.895 -8.485 1.00 0.00 N ATOM 143 CA THR A 10 -0.925 15.230 -7.849 1.00 0.00 C ATOM 144 C THR A 10 0.522 15.707 -7.747 1.00 0.00 C ATOM 145 O THR A 10 0.822 16.831 -8.155 1.00 0.00 O ATOM 146 CB THR A 10 -1.596 15.217 -6.467 1.00 0.00 C ATOM 147 OG1 THR A 10 -2.937 14.811 -6.617 1.00 0.00 O ATOM 148 CG2 THR A 10 -1.607 16.602 -5.815 1.00 0.00 C ATOM 0 H THR A 10 -1.332 13.165 -7.859 1.00 0.00 H new ATOM 0 HA THR A 10 -1.472 15.932 -8.479 1.00 0.00 H new ATOM 0 HB THR A 10 -1.027 14.536 -5.835 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.992 13.834 -6.557 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.091 16.542 -4.840 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.583 16.953 -5.690 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.155 17.299 -6.450 1.00 0.00 H new ATOM 156 N LEU A 11 1.411 14.842 -7.243 1.00 0.00 N ATOM 157 CA LEU A 11 2.847 15.114 -7.122 1.00 0.00 C ATOM 158 C LEU A 11 3.440 15.512 -8.478 1.00 0.00 C ATOM 159 O LEU A 11 3.967 16.618 -8.593 1.00 0.00 O ATOM 160 CB LEU A 11 3.564 13.900 -6.502 1.00 0.00 C ATOM 161 CG LEU A 11 3.227 13.648 -5.015 1.00 0.00 C ATOM 162 CD1 LEU A 11 3.886 12.343 -4.550 1.00 0.00 C ATOM 163 CD2 LEU A 11 3.705 14.794 -4.111 1.00 0.00 C ATOM 0 H LEU A 11 1.147 13.918 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 11 2.997 15.961 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.306 13.010 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.640 14.041 -6.599 1.00 0.00 H new ATOM 0 HG LEU A 11 2.142 13.582 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.647 12.168 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.513 11.513 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.967 12.419 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.446 14.573 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.786 14.901 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.222 15.723 -4.415 1.00 0.00 H new ATOM 175 N ASP A 12 3.270 14.684 -9.512 1.00 0.00 N ATOM 176 CA ASP A 12 3.766 14.950 -10.869 1.00 0.00 C ATOM 177 C ASP A 12 3.268 16.301 -11.401 1.00 0.00 C ATOM 178 O ASP A 12 4.072 17.114 -11.860 1.00 0.00 O ATOM 179 CB ASP A 12 3.341 13.810 -11.804 1.00 0.00 C ATOM 180 CG ASP A 12 3.863 14.032 -13.232 1.00 0.00 C ATOM 181 OD1 ASP A 12 5.075 13.815 -13.466 1.00 0.00 O ATOM 182 OD2 ASP A 12 3.055 14.401 -14.118 1.00 0.00 O ATOM 0 H ASP A 12 2.776 13.795 -9.431 1.00 0.00 H new ATOM 0 HA ASP A 12 4.854 15.001 -10.832 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.719 12.862 -11.420 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.254 13.737 -11.820 1.00 0.00 H new ATOM 187 N LYS A 13 1.968 16.596 -11.252 1.00 0.00 N ATOM 188 CA LYS A 13 1.402 17.897 -11.621 1.00 0.00 C ATOM 189 C LYS A 13 2.074 19.047 -10.860 1.00 0.00 C ATOM 190 O LYS A 13 2.587 19.966 -11.504 1.00 0.00 O ATOM 191 CB LYS A 13 -0.128 17.882 -11.425 1.00 0.00 C ATOM 192 CG LYS A 13 -0.829 17.092 -12.539 1.00 0.00 C ATOM 193 CD LYS A 13 -2.341 17.009 -12.286 1.00 0.00 C ATOM 194 CE LYS A 13 -3.016 16.247 -13.438 1.00 0.00 C ATOM 195 NZ LYS A 13 -4.494 16.195 -13.274 1.00 0.00 N ATOM 0 H LYS A 13 1.284 15.941 -10.874 1.00 0.00 H new ATOM 0 HA LYS A 13 1.604 18.075 -12.677 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.368 17.440 -10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.504 18.905 -11.410 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.643 17.570 -13.501 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.410 16.087 -12.596 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.534 16.504 -11.340 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.762 18.011 -12.204 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.772 16.729 -14.385 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.619 15.233 -13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.913 15.673 -14.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.728 15.713 -12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.875 17.162 -13.255 1.00 0.00 H new ATOM 209 N VAL A 14 2.182 19.005 -9.524 1.00 0.00 N ATOM 210 CA VAL A 14 2.765 20.122 -8.775 1.00 0.00 C ATOM 211 C VAL A 14 4.281 20.260 -8.979 1.00 0.00 C ATOM 212 O VAL A 14 4.754 21.387 -9.102 1.00 0.00 O ATOM 213 CB VAL A 14 2.379 20.124 -7.280 1.00 0.00 C ATOM 214 CG1 VAL A 14 0.856 20.212 -7.088 1.00 0.00 C ATOM 215 CG2 VAL A 14 2.969 18.992 -6.433 1.00 0.00 C ATOM 0 H VAL A 14 1.877 18.220 -8.948 1.00 0.00 H new ATOM 0 HA VAL A 14 2.313 21.015 -9.207 1.00 0.00 H new ATOM 0 HB VAL A 14 2.850 21.029 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.623 20.211 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.485 21.132 -7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.379 19.356 -7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.631 19.095 -5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.640 18.031 -6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.057 19.043 -6.464 1.00 0.00 H new ATOM 225 N VAL A 15 5.044 19.160 -9.102 1.00 0.00 N ATOM 226 CA VAL A 15 6.514 19.237 -9.281 1.00 0.00 C ATOM 227 C VAL A 15 6.946 19.600 -10.712 1.00 0.00 C ATOM 228 O VAL A 15 8.104 19.969 -10.897 1.00 0.00 O ATOM 229 CB VAL A 15 7.275 17.980 -8.793 1.00 0.00 C ATOM 230 CG1 VAL A 15 6.931 17.646 -7.328 1.00 0.00 C ATOM 231 CG2 VAL A 15 7.102 16.767 -9.719 1.00 0.00 C ATOM 0 H VAL A 15 4.675 18.209 -9.082 1.00 0.00 H new ATOM 0 HA VAL A 15 6.802 20.063 -8.631 1.00 0.00 H new ATOM 0 HB VAL A 15 8.335 18.229 -8.834 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.483 16.758 -7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.206 18.485 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.861 17.458 -7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.661 15.921 -9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.046 16.506 -9.783 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.477 17.012 -10.713 1.00 0.00 H new ATOM 241 N THR A 16 6.043 19.535 -11.707 1.00 0.00 N ATOM 242 CA THR A 16 6.305 19.988 -13.091 1.00 0.00 C ATOM 243 C THR A 16 5.682 21.346 -13.405 1.00 0.00 C ATOM 244 O THR A 16 6.314 22.154 -14.079 1.00 0.00 O ATOM 245 CB THR A 16 5.848 18.951 -14.131 1.00 0.00 C ATOM 246 OG1 THR A 16 4.475 18.678 -13.994 1.00 0.00 O ATOM 247 CG2 THR A 16 6.629 17.641 -14.019 1.00 0.00 C ATOM 0 H THR A 16 5.102 19.164 -11.575 1.00 0.00 H new ATOM 0 HA THR A 16 7.387 20.099 -13.157 1.00 0.00 H new ATOM 0 HB THR A 16 6.043 19.387 -15.111 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.303 18.301 -13.106 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.272 16.939 -14.773 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.690 17.835 -14.177 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.482 17.214 -13.027 1.00 0.00 H new ATOM 255 N SER A 17 4.480 21.636 -12.907 1.00 0.00 N ATOM 256 CA SER A 17 3.783 22.905 -13.171 1.00 0.00 C ATOM 257 C SER A 17 4.308 24.045 -12.276 1.00 0.00 C ATOM 258 O SER A 17 4.689 25.105 -12.774 1.00 0.00 O ATOM 259 CB SER A 17 2.269 22.716 -12.992 1.00 0.00 C ATOM 260 OG SER A 17 1.555 23.858 -13.442 1.00 0.00 O ATOM 0 H SER A 17 3.957 20.999 -12.307 1.00 0.00 H new ATOM 0 HA SER A 17 3.985 23.194 -14.202 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.941 21.836 -13.546 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.044 22.533 -11.941 1.00 0.00 H new ATOM 0 HG SER A 17 0.594 23.712 -13.319 1.00 0.00 H new ATOM 266 N HIS A 18 4.386 23.827 -10.954 1.00 0.00 N ATOM 267 CA HIS A 18 4.897 24.824 -10.001 1.00 0.00 C ATOM 268 C HIS A 18 6.427 24.729 -9.800 1.00 0.00 C ATOM 269 O HIS A 18 7.047 25.636 -9.241 1.00 0.00 O ATOM 270 CB HIS A 18 4.158 24.666 -8.656 1.00 0.00 C ATOM 271 CG HIS A 18 2.647 24.582 -8.746 1.00 0.00 C ATOM 272 ND1 HIS A 18 1.827 23.865 -7.900 1.00 0.00 N ATOM 273 CD2 HIS A 18 1.833 25.194 -9.666 1.00 0.00 C ATOM 274 CE1 HIS A 18 0.555 24.038 -8.304 1.00 0.00 C ATOM 275 NE2 HIS A 18 0.505 24.840 -9.386 1.00 0.00 N ATOM 0 H HIS A 18 4.096 22.953 -10.515 1.00 0.00 H new ATOM 0 HA HIS A 18 4.705 25.813 -10.417 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.526 23.766 -8.163 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.420 25.509 -8.017 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.159 25.838 -10.469 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.307 23.595 -7.827 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -0.329 25.130 -9.897 1.00 0.00 H new ATOM 283 N LYS A 19 7.044 23.619 -10.230 1.00 0.00 N ATOM 284 CA LYS A 19 8.492 23.333 -10.309 1.00 0.00 C ATOM 285 C LYS A 19 9.217 23.246 -8.958 1.00 0.00 C ATOM 286 O LYS A 19 9.898 22.254 -8.726 1.00 0.00 O ATOM 287 CB LYS A 19 9.192 24.293 -11.295 1.00 0.00 C ATOM 288 CG LYS A 19 8.791 23.930 -12.733 1.00 0.00 C ATOM 289 CD LYS A 19 9.485 24.810 -13.779 1.00 0.00 C ATOM 290 CE LYS A 19 9.345 24.220 -15.196 1.00 0.00 C ATOM 291 NZ LYS A 19 7.926 24.065 -15.626 1.00 0.00 N ATOM 0 H LYS A 19 6.497 22.825 -10.562 1.00 0.00 H new ATOM 0 HA LYS A 19 8.564 22.319 -10.703 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.912 25.324 -11.077 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.274 24.225 -11.179 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.037 22.885 -12.922 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.711 24.028 -12.841 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.055 25.811 -13.757 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.541 24.911 -13.528 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.865 24.864 -15.905 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.837 23.248 -15.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.896 23.728 -16.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.450 23.376 -15.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.441 24.982 -15.559 1.00 0.00 H new ATOM 305 N VAL A 20 9.092 24.238 -8.081 1.00 0.00 N ATOM 306 CA VAL A 20 9.751 24.302 -6.762 1.00 0.00 C ATOM 307 C VAL A 20 8.734 23.934 -5.676 1.00 0.00 C ATOM 308 O VAL A 20 7.742 24.642 -5.510 1.00 0.00 O ATOM 309 CB VAL A 20 10.331 25.713 -6.494 1.00 0.00 C ATOM 310 CG1 VAL A 20 11.134 25.723 -5.183 1.00 0.00 C ATOM 311 CG2 VAL A 20 11.234 26.220 -7.635 1.00 0.00 C ATOM 0 H VAL A 20 8.509 25.054 -8.268 1.00 0.00 H new ATOM 0 HA VAL A 20 10.580 23.595 -6.748 1.00 0.00 H new ATOM 0 HB VAL A 20 9.475 26.384 -6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.535 26.722 -5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.482 25.445 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.955 25.010 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.609 27.213 -7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.073 25.537 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.659 26.269 -8.560 1.00 0.00 H new ATOM 321 N VAL A 21 8.962 22.838 -4.943 1.00 0.00 N ATOM 322 CA VAL A 21 7.993 22.321 -3.956 1.00 0.00 C ATOM 323 C VAL A 21 8.697 21.927 -2.654 1.00 0.00 C ATOM 324 O VAL A 21 9.728 21.259 -2.673 1.00 0.00 O ATOM 325 CB VAL A 21 7.179 21.127 -4.521 1.00 0.00 C ATOM 326 CG1 VAL A 21 5.985 20.788 -3.613 1.00 0.00 C ATOM 327 CG2 VAL A 21 6.621 21.399 -5.934 1.00 0.00 C ATOM 0 H VAL A 21 9.816 22.284 -5.013 1.00 0.00 H new ATOM 0 HA VAL A 21 7.290 23.125 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 21 7.882 20.295 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.434 19.948 -4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.347 20.522 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.326 21.653 -3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.061 20.529 -6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.962 22.267 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.446 21.593 -6.620 1.00 0.00 H new ATOM 337 N LEU A 22 8.135 22.351 -1.520 1.00 0.00 N ATOM 338 CA LEU A 22 8.564 22.002 -0.163 1.00 0.00 C ATOM 339 C LEU A 22 7.539 21.049 0.460 1.00 0.00 C ATOM 340 O LEU A 22 6.334 21.269 0.345 1.00 0.00 O ATOM 341 CB LEU A 22 8.684 23.293 0.688 1.00 0.00 C ATOM 342 CG LEU A 22 10.084 23.921 0.815 1.00 0.00 C ATOM 343 CD1 LEU A 22 11.064 22.990 1.546 1.00 0.00 C ATOM 344 CD2 LEU A 22 10.633 24.341 -0.553 1.00 0.00 C ATOM 0 H LEU A 22 7.330 22.977 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 22 9.536 21.509 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.015 24.041 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.320 23.072 1.691 1.00 0.00 H new ATOM 0 HG LEU A 22 9.979 24.820 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.040 23.471 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.690 22.783 2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.158 22.055 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.623 24.781 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.703 23.467 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.964 25.074 -1.004 1.00 0.00 H new ATOM 356 N PHE A 23 8.014 20.023 1.162 1.00 0.00 N ATOM 357 CA PHE A 23 7.186 19.022 1.828 1.00 0.00 C ATOM 358 C PHE A 23 7.555 18.934 3.316 1.00 0.00 C ATOM 359 O PHE A 23 8.683 18.584 3.669 1.00 0.00 O ATOM 360 CB PHE A 23 7.378 17.684 1.106 1.00 0.00 C ATOM 361 CG PHE A 23 6.816 17.638 -0.302 1.00 0.00 C ATOM 362 CD1 PHE A 23 5.435 17.450 -0.502 1.00 0.00 C ATOM 363 CD2 PHE A 23 7.673 17.750 -1.416 1.00 0.00 C ATOM 364 CE1 PHE A 23 4.912 17.345 -1.802 1.00 0.00 C ATOM 365 CE2 PHE A 23 7.152 17.633 -2.718 1.00 0.00 C ATOM 366 CZ PHE A 23 5.772 17.426 -2.909 1.00 0.00 C ATOM 0 H PHE A 23 9.013 19.861 1.286 1.00 0.00 H new ATOM 0 HA PHE A 23 6.133 19.298 1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.444 17.458 1.065 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.908 16.897 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.773 17.386 0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.729 17.925 -1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.852 17.202 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.811 17.702 -3.571 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.375 17.329 -3.909 1.00 0.00 H new ATOM 376 N MET A 24 6.583 19.254 4.175 1.00 0.00 N ATOM 377 CA MET A 24 6.685 19.324 5.643 1.00 0.00 C ATOM 378 C MET A 24 5.272 19.414 6.256 1.00 0.00 C ATOM 379 O MET A 24 4.293 19.242 5.534 1.00 0.00 O ATOM 380 CB MET A 24 7.621 20.481 6.055 1.00 0.00 C ATOM 381 CG MET A 24 7.138 21.864 5.606 1.00 0.00 C ATOM 382 SD MET A 24 8.175 23.195 6.252 1.00 0.00 S ATOM 383 CE MET A 24 7.434 24.554 5.326 1.00 0.00 C ATOM 0 H MET A 24 5.645 19.486 3.848 1.00 0.00 H new ATOM 0 HA MET A 24 7.138 18.416 6.040 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.728 20.479 7.140 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.611 20.300 5.637 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.131 21.908 4.517 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.111 22.013 5.938 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.938 25.486 5.582 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.540 24.366 4.257 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.376 24.632 5.578 1.00 0.00 H new ATOM 393 N LYS A 25 5.119 19.677 7.556 1.00 0.00 N ATOM 394 CA LYS A 25 3.792 19.861 8.185 1.00 0.00 C ATOM 395 C LYS A 25 3.227 21.280 7.968 1.00 0.00 C ATOM 396 O LYS A 25 2.015 21.466 7.845 1.00 0.00 O ATOM 397 CB LYS A 25 3.903 19.547 9.688 1.00 0.00 C ATOM 398 CG LYS A 25 4.275 18.081 9.955 1.00 0.00 C ATOM 399 CD LYS A 25 4.266 17.721 11.448 1.00 0.00 C ATOM 400 CE LYS A 25 5.352 18.480 12.231 1.00 0.00 C ATOM 401 NZ LYS A 25 5.370 18.092 13.668 1.00 0.00 N ATOM 0 H LYS A 25 5.900 19.770 8.205 1.00 0.00 H new ATOM 0 HA LYS A 25 3.093 19.174 7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.654 20.197 10.137 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.954 19.772 10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.576 17.433 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.265 17.883 9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.288 17.950 11.870 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.419 16.648 11.563 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.327 18.279 11.788 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.179 19.553 12.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.114 18.624 14.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.448 18.307 14.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.561 17.073 13.750 1.00 0.00 H new ATOM 415 N GLY A 26 4.109 22.281 7.899 1.00 0.00 N ATOM 416 CA GLY A 26 3.771 23.696 7.666 1.00 0.00 C ATOM 417 C GLY A 26 3.381 23.998 6.212 1.00 0.00 C ATOM 418 O GLY A 26 3.811 23.304 5.287 1.00 0.00 O ATOM 0 H GLY A 26 5.112 22.128 8.007 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.947 23.978 8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.624 24.316 7.942 1.00 0.00 H new ATOM 422 N THR A 27 2.585 25.057 6.022 1.00 0.00 N ATOM 423 CA THR A 27 2.124 25.565 4.716 1.00 0.00 C ATOM 424 C THR A 27 3.007 26.717 4.240 1.00 0.00 C ATOM 425 O THR A 27 3.947 27.119 4.922 1.00 0.00 O ATOM 426 CB THR A 27 0.649 25.988 4.794 1.00 0.00 C ATOM 427 OG1 THR A 27 0.530 27.030 5.734 1.00 0.00 O ATOM 428 CG2 THR A 27 -0.264 24.836 5.216 1.00 0.00 C ATOM 0 H THR A 27 2.228 25.608 6.802 1.00 0.00 H new ATOM 0 HA THR A 27 2.205 24.762 3.984 1.00 0.00 H new ATOM 0 HB THR A 27 0.339 26.310 3.800 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.407 27.312 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.296 25.185 5.256 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.184 24.024 4.493 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.036 24.476 6.200 1.00 0.00 H new ATOM 436 N LYS A 28 2.708 27.290 3.070 1.00 0.00 N ATOM 437 CA LYS A 28 3.384 28.511 2.589 1.00 0.00 C ATOM 438 C LYS A 28 2.933 29.794 3.319 1.00 0.00 C ATOM 439 O LYS A 28 3.655 30.793 3.315 1.00 0.00 O ATOM 440 CB LYS A 28 3.257 28.605 1.056 1.00 0.00 C ATOM 441 CG LYS A 28 1.820 28.738 0.525 1.00 0.00 C ATOM 442 CD LYS A 28 1.827 28.710 -1.009 1.00 0.00 C ATOM 443 CE LYS A 28 0.395 28.767 -1.563 1.00 0.00 C ATOM 444 NZ LYS A 28 0.386 28.645 -3.044 1.00 0.00 N ATOM 0 H LYS A 28 1.999 26.929 2.431 1.00 0.00 H new ATOM 0 HA LYS A 28 4.442 28.428 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.835 29.462 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.710 27.717 0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.204 27.925 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.377 29.669 0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.403 29.554 -1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.321 27.803 -1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.199 27.964 -1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.074 29.706 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.591 28.721 -3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.962 29.406 -3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.781 27.723 -3.319 1.00 0.00 H new ATOM 458 N ASP A 29 1.771 29.757 3.986 1.00 0.00 N ATOM 459 CA ASP A 29 1.285 30.829 4.869 1.00 0.00 C ATOM 460 C ASP A 29 1.810 30.683 6.314 1.00 0.00 C ATOM 461 O ASP A 29 1.993 31.687 7.005 1.00 0.00 O ATOM 462 CB ASP A 29 -0.250 30.837 4.832 1.00 0.00 C ATOM 463 CG ASP A 29 -0.851 32.112 5.446 1.00 0.00 C ATOM 464 OD1 ASP A 29 -0.449 33.228 5.039 1.00 0.00 O ATOM 465 OD2 ASP A 29 -1.768 31.996 6.292 1.00 0.00 O ATOM 0 H ASP A 29 1.129 28.966 3.926 1.00 0.00 H new ATOM 0 HA ASP A 29 1.669 31.782 4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.585 30.743 3.799 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.627 29.967 5.370 1.00 0.00 H new ATOM 470 N PHE A 30 2.105 29.447 6.748 1.00 0.00 N ATOM 471 CA PHE A 30 2.705 29.115 8.044 1.00 0.00 C ATOM 472 C PHE A 30 3.899 28.144 7.872 1.00 0.00 C ATOM 473 O PHE A 30 3.778 26.958 8.204 1.00 0.00 O ATOM 474 CB PHE A 30 1.621 28.538 8.976 1.00 0.00 C ATOM 475 CG PHE A 30 0.539 29.518 9.383 1.00 0.00 C ATOM 476 CD1 PHE A 30 0.818 30.510 10.344 1.00 0.00 C ATOM 477 CD2 PHE A 30 -0.750 29.431 8.822 1.00 0.00 C ATOM 478 CE1 PHE A 30 -0.187 31.407 10.743 1.00 0.00 C ATOM 479 CE2 PHE A 30 -1.756 30.328 9.223 1.00 0.00 C ATOM 480 CZ PHE A 30 -1.474 31.319 10.184 1.00 0.00 C ATOM 0 H PHE A 30 1.923 28.620 6.180 1.00 0.00 H new ATOM 0 HA PHE A 30 3.104 30.021 8.500 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.152 27.688 8.481 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.103 28.157 9.877 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.806 30.581 10.775 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.966 28.674 8.083 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.030 32.166 11.481 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.745 30.257 8.794 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.245 32.010 10.491 1.00 0.00 H new ATOM 490 N PRO A 31 5.052 28.620 7.353 1.00 0.00 N ATOM 491 CA PRO A 31 6.265 27.812 7.233 1.00 0.00 C ATOM 492 C PRO A 31 6.882 27.537 8.613 1.00 0.00 C ATOM 493 O PRO A 31 6.644 28.273 9.573 1.00 0.00 O ATOM 494 CB PRO A 31 7.201 28.615 6.324 1.00 0.00 C ATOM 495 CG PRO A 31 6.801 30.062 6.606 1.00 0.00 C ATOM 496 CD PRO A 31 5.293 29.966 6.846 1.00 0.00 C ATOM 0 HA PRO A 31 6.064 26.828 6.809 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.249 28.433 6.563 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.063 28.356 5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.323 30.462 7.475 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.034 30.716 5.766 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.963 30.718 7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.739 30.141 5.924 1.00 0.00 H new ATOM 504 N GLN A 32 7.678 26.466 8.716 1.00 0.00 N ATOM 505 CA GLN A 32 8.264 26.020 9.984 1.00 0.00 C ATOM 506 C GLN A 32 9.571 26.771 10.285 1.00 0.00 C ATOM 507 O GLN A 32 10.492 26.797 9.462 1.00 0.00 O ATOM 508 CB GLN A 32 8.484 24.494 9.966 1.00 0.00 C ATOM 509 CG GLN A 32 7.142 23.737 9.922 1.00 0.00 C ATOM 510 CD GLN A 32 7.282 22.215 9.932 1.00 0.00 C ATOM 511 OE1 GLN A 32 6.676 21.520 9.133 1.00 0.00 O ATOM 512 NE2 GLN A 32 8.050 21.629 10.828 1.00 0.00 N ATOM 0 H GLN A 32 7.934 25.883 7.919 1.00 0.00 H new ATOM 0 HA GLN A 32 7.564 26.252 10.787 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.087 24.221 9.100 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.045 24.194 10.852 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.538 24.041 10.777 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.599 24.035 9.025 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.565 22.192 11.505 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.130 20.612 10.845 1.00 0.00 H new ATOM 521 N CYS A 33 9.651 27.365 11.481 1.00 0.00 N ATOM 522 CA CYS A 33 10.808 28.125 11.961 1.00 0.00 C ATOM 523 C CYS A 33 12.092 27.269 12.000 1.00 0.00 C ATOM 524 O CYS A 33 12.053 26.075 12.319 1.00 0.00 O ATOM 525 CB CYS A 33 10.447 28.720 13.333 1.00 0.00 C ATOM 526 SG CYS A 33 11.738 29.878 13.876 1.00 0.00 S ATOM 0 H CYS A 33 8.891 27.329 12.160 1.00 0.00 H new ATOM 0 HA CYS A 33 11.035 28.934 11.266 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.488 29.235 13.273 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.334 27.921 14.066 1.00 0.00 H new ATOM 0 HG CYS A 33 11.417 30.373 15.034 1.00 0.00 H new ATOM 532 N GLY A 34 13.232 27.889 11.681 1.00 0.00 N ATOM 533 CA GLY A 34 14.524 27.222 11.483 1.00 0.00 C ATOM 534 C GLY A 34 14.811 26.979 10.001 1.00 0.00 C ATOM 535 O GLY A 34 14.428 27.785 9.152 1.00 0.00 O ATOM 0 H GLY A 34 13.284 28.899 11.549 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.319 27.832 11.913 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.529 26.271 12.016 1.00 0.00 H new ATOM 539 N PHE A 35 15.488 25.870 9.690 1.00 0.00 N ATOM 540 CA PHE A 35 16.035 25.583 8.359 1.00 0.00 C ATOM 541 C PHE A 35 14.999 25.631 7.228 1.00 0.00 C ATOM 542 O PHE A 35 15.312 26.132 6.153 1.00 0.00 O ATOM 543 CB PHE A 35 16.772 24.232 8.395 1.00 0.00 C ATOM 544 CG PHE A 35 17.890 24.179 9.423 1.00 0.00 C ATOM 545 CD1 PHE A 35 19.094 24.872 9.187 1.00 0.00 C ATOM 546 CD2 PHE A 35 17.715 23.472 10.629 1.00 0.00 C ATOM 547 CE1 PHE A 35 20.116 24.862 10.153 1.00 0.00 C ATOM 548 CE2 PHE A 35 18.736 23.468 11.595 1.00 0.00 C ATOM 549 CZ PHE A 35 19.937 24.160 11.356 1.00 0.00 C ATOM 0 H PHE A 35 15.675 25.132 10.369 1.00 0.00 H new ATOM 0 HA PHE A 35 16.735 26.384 8.121 1.00 0.00 H new ATOM 0 HB2 PHE A 35 16.054 23.441 8.610 1.00 0.00 H new ATOM 0 HB3 PHE A 35 17.187 24.027 7.408 1.00 0.00 H new ATOM 0 HD1 PHE A 35 19.232 25.412 8.262 1.00 0.00 H new ATOM 0 HD2 PHE A 35 16.797 22.933 10.811 1.00 0.00 H new ATOM 0 HE1 PHE A 35 21.038 25.394 9.970 1.00 0.00 H new ATOM 0 HE2 PHE A 35 18.598 22.932 12.523 1.00 0.00 H new ATOM 0 HZ PHE A 35 20.722 24.151 12.098 1.00 0.00 H new ATOM 559 N SER A 36 13.757 25.191 7.444 1.00 0.00 N ATOM 560 CA SER A 36 12.692 25.304 6.431 1.00 0.00 C ATOM 561 C SER A 36 12.337 26.763 6.116 1.00 0.00 C ATOM 562 O SER A 36 12.330 27.142 4.945 1.00 0.00 O ATOM 563 CB SER A 36 11.451 24.521 6.865 1.00 0.00 C ATOM 564 OG SER A 36 11.779 23.148 6.969 1.00 0.00 O ATOM 0 H SER A 36 13.458 24.750 8.314 1.00 0.00 H new ATOM 0 HA SER A 36 13.077 24.867 5.509 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.088 24.894 7.823 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.647 24.661 6.143 1.00 0.00 H new ATOM 0 HG SER A 36 10.987 22.643 7.248 1.00 0.00 H new ATOM 570 N GLN A 37 12.141 27.623 7.125 1.00 0.00 N ATOM 571 CA GLN A 37 11.962 29.065 6.910 1.00 0.00 C ATOM 572 C GLN A 37 13.172 29.657 6.167 1.00 0.00 C ATOM 573 O GLN A 37 12.977 30.379 5.190 1.00 0.00 O ATOM 574 CB GLN A 37 11.731 29.782 8.252 1.00 0.00 C ATOM 575 CG GLN A 37 11.213 31.214 8.052 1.00 0.00 C ATOM 576 CD GLN A 37 11.293 32.037 9.339 1.00 0.00 C ATOM 577 OE1 GLN A 37 10.602 31.782 10.318 1.00 0.00 O ATOM 578 NE2 GLN A 37 12.149 33.036 9.392 1.00 0.00 N ATOM 0 H GLN A 37 12.102 27.342 8.105 1.00 0.00 H new ATOM 0 HA GLN A 37 11.080 29.217 6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.015 29.216 8.848 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.664 29.808 8.815 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.795 31.704 7.271 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.180 31.181 7.706 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.728 33.255 8.581 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.233 33.591 10.244 1.00 0.00 H new ATOM 587 N THR A 38 14.404 29.285 6.550 1.00 0.00 N ATOM 588 CA THR A 38 15.633 29.705 5.863 1.00 0.00 C ATOM 589 C THR A 38 15.621 29.271 4.402 1.00 0.00 C ATOM 590 O THR A 38 15.853 30.100 3.534 1.00 0.00 O ATOM 591 CB THR A 38 16.877 29.185 6.599 1.00 0.00 C ATOM 592 OG1 THR A 38 16.779 29.532 7.959 1.00 0.00 O ATOM 593 CG2 THR A 38 18.155 29.814 6.057 1.00 0.00 C ATOM 0 H THR A 38 14.575 28.679 7.352 1.00 0.00 H new ATOM 0 HA THR A 38 15.674 30.794 5.877 1.00 0.00 H new ATOM 0 HB THR A 38 16.921 28.105 6.456 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.568 29.203 8.438 1.00 0.00 H new ATOM 0 HG21 THR A 38 19.013 29.422 6.602 1.00 0.00 H new ATOM 0 HG22 THR A 38 18.258 29.575 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 38 18.109 30.896 6.182 1.00 0.00 H new ATOM 601 N VAL A 39 15.271 28.019 4.107 1.00 0.00 N ATOM 602 CA VAL A 39 15.118 27.503 2.733 1.00 0.00 C ATOM 603 C VAL A 39 14.025 28.245 1.956 1.00 0.00 C ATOM 604 O VAL A 39 14.246 28.600 0.800 1.00 0.00 O ATOM 605 CB VAL A 39 14.870 25.978 2.735 1.00 0.00 C ATOM 606 CG1 VAL A 39 14.304 25.434 1.411 1.00 0.00 C ATOM 607 CG2 VAL A 39 16.198 25.271 3.038 1.00 0.00 C ATOM 0 H VAL A 39 15.081 27.318 4.823 1.00 0.00 H new ATOM 0 HA VAL A 39 16.058 27.690 2.214 1.00 0.00 H new ATOM 0 HB VAL A 39 14.115 25.780 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.158 24.357 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.349 25.915 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 39 15.004 25.645 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.043 24.192 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.930 25.528 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 39 16.566 25.590 4.013 1.00 0.00 H new ATOM 617 N VAL A 40 12.881 28.532 2.582 1.00 0.00 N ATOM 618 CA VAL A 40 11.809 29.340 1.981 1.00 0.00 C ATOM 619 C VAL A 40 12.317 30.747 1.626 1.00 0.00 C ATOM 620 O VAL A 40 12.088 31.202 0.507 1.00 0.00 O ATOM 621 CB VAL A 40 10.567 29.377 2.908 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.614 30.540 2.601 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.805 28.043 2.820 1.00 0.00 C ATOM 0 H VAL A 40 12.668 28.210 3.526 1.00 0.00 H new ATOM 0 HA VAL A 40 11.498 28.871 1.047 1.00 0.00 H new ATOM 0 HB VAL A 40 10.940 29.534 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.767 30.507 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.142 31.485 2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.255 30.455 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.934 28.078 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.481 27.876 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.460 27.229 3.130 1.00 0.00 H new ATOM 633 N GLN A 41 13.050 31.410 2.530 1.00 0.00 N ATOM 634 CA GLN A 41 13.668 32.718 2.274 1.00 0.00 C ATOM 635 C GLN A 41 14.743 32.640 1.177 1.00 0.00 C ATOM 636 O GLN A 41 14.774 33.510 0.308 1.00 0.00 O ATOM 637 CB GLN A 41 14.257 33.280 3.584 1.00 0.00 C ATOM 638 CG GLN A 41 13.174 33.745 4.576 1.00 0.00 C ATOM 639 CD GLN A 41 13.770 34.243 5.899 1.00 0.00 C ATOM 640 OE1 GLN A 41 13.585 33.662 6.963 1.00 0.00 O ATOM 641 NE2 GLN A 41 14.504 35.340 5.903 1.00 0.00 N ATOM 0 H GLN A 41 13.232 31.051 3.467 1.00 0.00 H new ATOM 0 HA GLN A 41 12.894 33.394 1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.872 32.515 4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.914 34.118 3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.587 34.543 4.122 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.490 32.920 4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.674 35.843 5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.901 35.685 6.777 1.00 0.00 H new ATOM 650 N ILE A 42 15.578 31.596 1.171 1.00 0.00 N ATOM 651 CA ILE A 42 16.646 31.361 0.178 1.00 0.00 C ATOM 652 C ILE A 42 16.082 31.255 -1.243 1.00 0.00 C ATOM 653 O ILE A 42 16.545 31.978 -2.122 1.00 0.00 O ATOM 654 CB ILE A 42 17.472 30.109 0.595 1.00 0.00 C ATOM 655 CG1 ILE A 42 18.498 30.510 1.679 1.00 0.00 C ATOM 656 CG2 ILE A 42 18.174 29.396 -0.577 1.00 0.00 C ATOM 657 CD1 ILE A 42 19.213 29.322 2.341 1.00 0.00 C ATOM 0 H ILE A 42 15.532 30.863 1.879 1.00 0.00 H new ATOM 0 HA ILE A 42 17.319 32.218 0.163 1.00 0.00 H new ATOM 0 HB ILE A 42 16.761 29.383 0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.245 31.165 1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.988 31.088 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.727 28.535 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.428 29.061 -1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.864 30.087 -1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.915 29.691 3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.478 28.676 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.754 28.755 1.584 1.00 0.00 H new ATOM 669 N LEU A 43 15.078 30.402 -1.476 1.00 0.00 N ATOM 670 CA LEU A 43 14.483 30.192 -2.805 1.00 0.00 C ATOM 671 C LEU A 43 13.808 31.478 -3.299 1.00 0.00 C ATOM 672 O LEU A 43 14.092 31.971 -4.396 1.00 0.00 O ATOM 673 CB LEU A 43 13.473 29.031 -2.714 1.00 0.00 C ATOM 674 CG LEU A 43 14.108 27.649 -2.459 1.00 0.00 C ATOM 675 CD1 LEU A 43 13.012 26.675 -2.005 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.818 27.107 -3.709 1.00 0.00 C ATOM 0 H LEU A 43 14.651 29.833 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 43 15.260 29.936 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.765 29.244 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.902 28.989 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 43 14.864 27.753 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.450 25.694 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.554 27.045 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.253 26.594 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.252 26.132 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.099 27.008 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.608 27.796 -4.006 1.00 0.00 H new ATOM 688 N LYS A 44 12.963 32.061 -2.441 1.00 0.00 N ATOM 689 CA LYS A 44 12.288 33.330 -2.701 1.00 0.00 C ATOM 690 C LYS A 44 13.298 34.401 -3.152 1.00 0.00 C ATOM 691 O LYS A 44 13.177 34.917 -4.265 1.00 0.00 O ATOM 692 CB LYS A 44 11.491 33.707 -1.442 1.00 0.00 C ATOM 693 CG LYS A 44 10.558 34.900 -1.671 1.00 0.00 C ATOM 694 CD LYS A 44 9.664 35.108 -0.440 1.00 0.00 C ATOM 695 CE LYS A 44 8.702 36.282 -0.676 1.00 0.00 C ATOM 696 NZ LYS A 44 7.830 36.540 0.502 1.00 0.00 N ATOM 0 H LYS A 44 12.728 31.656 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 44 11.584 33.245 -3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.904 32.848 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.184 33.942 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.144 35.799 -1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.942 34.727 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.098 34.200 -0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.280 35.304 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.276 37.180 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.081 36.071 -1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.198 37.340 0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.262 35.693 0.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.420 36.767 1.328 1.00 0.00 H new ATOM 710 N SER A 45 14.326 34.649 -2.327 1.00 0.00 N ATOM 711 CA SER A 45 15.370 35.676 -2.514 1.00 0.00 C ATOM 712 C SER A 45 16.332 35.407 -3.684 1.00 0.00 C ATOM 713 O SER A 45 16.793 36.359 -4.319 1.00 0.00 O ATOM 714 CB SER A 45 16.213 35.835 -1.237 1.00 0.00 C ATOM 715 OG SER A 45 15.415 36.063 -0.082 1.00 0.00 O ATOM 0 H SER A 45 14.461 34.115 -1.469 1.00 0.00 H new ATOM 0 HA SER A 45 14.817 36.586 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.814 34.938 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.907 36.666 -1.365 1.00 0.00 H new ATOM 0 HG SER A 45 14.896 35.257 0.121 1.00 0.00 H new ATOM 721 N LEU A 46 16.614 34.133 -4.003 1.00 0.00 N ATOM 722 CA LEU A 46 17.354 33.722 -5.204 1.00 0.00 C ATOM 723 C LEU A 46 16.621 34.181 -6.477 1.00 0.00 C ATOM 724 O LEU A 46 17.271 34.452 -7.486 1.00 0.00 O ATOM 725 CB LEU A 46 17.565 32.195 -5.134 1.00 0.00 C ATOM 726 CG LEU A 46 18.276 31.548 -6.338 1.00 0.00 C ATOM 727 CD1 LEU A 46 19.667 32.146 -6.597 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.407 30.041 -6.072 1.00 0.00 C ATOM 0 H LEU A 46 16.328 33.346 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 46 18.333 34.200 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.140 31.970 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.591 31.720 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 46 17.677 31.743 -7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.121 31.652 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.572 33.213 -6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.296 31.998 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.909 29.565 -6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.990 29.881 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.415 29.606 -5.947 1.00 0.00 H new ATOM 740 N ASN A 47 15.285 34.284 -6.385 1.00 0.00 N ATOM 741 CA ASN A 47 14.312 34.890 -7.312 1.00 0.00 C ATOM 742 C ASN A 47 13.419 33.796 -7.913 1.00 0.00 C ATOM 743 O ASN A 47 13.456 33.523 -9.115 1.00 0.00 O ATOM 744 CB ASN A 47 14.920 35.861 -8.351 1.00 0.00 C ATOM 745 CG ASN A 47 13.851 36.681 -9.071 1.00 0.00 C ATOM 746 OD1 ASN A 47 13.592 36.507 -10.255 1.00 0.00 O ATOM 747 ND2 ASN A 47 13.193 37.599 -8.380 1.00 0.00 N ATOM 0 H ASN A 47 14.807 33.903 -5.569 1.00 0.00 H new ATOM 0 HA ASN A 47 13.678 35.557 -6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.617 36.534 -7.852 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.494 35.294 -9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.472 38.160 -8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.407 37.746 -7.394 1.00 0.00 H new ATOM 754 N ALA A 48 12.651 33.126 -7.045 1.00 0.00 N ATOM 755 CA ALA A 48 11.869 31.945 -7.435 1.00 0.00 C ATOM 756 C ALA A 48 10.590 31.746 -6.593 1.00 0.00 C ATOM 757 O ALA A 48 10.545 32.195 -5.443 1.00 0.00 O ATOM 758 CB ALA A 48 12.787 30.708 -7.361 1.00 0.00 C ATOM 0 H ALA A 48 12.554 33.383 -6.063 1.00 0.00 H new ATOM 0 HA ALA A 48 11.514 32.096 -8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.224 29.820 -7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.629 30.839 -8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.157 30.590 -6.343 1.00 0.00 H new ATOM 764 N PRO A 49 9.562 31.063 -7.142 1.00 0.00 N ATOM 765 CA PRO A 49 8.398 30.624 -6.382 1.00 0.00 C ATOM 766 C PRO A 49 8.762 29.424 -5.493 1.00 0.00 C ATOM 767 O PRO A 49 9.854 28.863 -5.591 1.00 0.00 O ATOM 768 CB PRO A 49 7.351 30.259 -7.441 1.00 0.00 C ATOM 769 CG PRO A 49 8.207 29.724 -8.586 1.00 0.00 C ATOM 770 CD PRO A 49 9.439 30.626 -8.531 1.00 0.00 C ATOM 0 HA PRO A 49 8.021 31.391 -5.705 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.649 29.510 -7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.763 31.125 -7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.466 28.675 -8.443 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.693 29.797 -9.545 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.331 30.087 -8.850 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.327 31.480 -9.199 1.00 0.00 H new ATOM 778 N PHE A 50 7.811 29.007 -4.652 1.00 0.00 N ATOM 779 CA PHE A 50 7.887 27.812 -3.808 1.00 0.00 C ATOM 780 C PHE A 50 6.473 27.404 -3.354 1.00 0.00 C ATOM 781 O PHE A 50 5.616 28.257 -3.112 1.00 0.00 O ATOM 782 CB PHE A 50 8.827 28.054 -2.607 1.00 0.00 C ATOM 783 CG PHE A 50 8.265 28.996 -1.562 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.376 30.388 -1.736 1.00 0.00 C ATOM 785 CD2 PHE A 50 7.586 28.480 -0.443 1.00 0.00 C ATOM 786 CE1 PHE A 50 7.775 31.262 -0.816 1.00 0.00 C ATOM 787 CE2 PHE A 50 6.989 29.352 0.480 1.00 0.00 C ATOM 788 CZ PHE A 50 7.069 30.746 0.287 1.00 0.00 C ATOM 0 H PHE A 50 6.933 29.513 -4.536 1.00 0.00 H new ATOM 0 HA PHE A 50 8.307 26.989 -4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.050 27.097 -2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.771 28.457 -2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.924 30.784 -2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.524 27.412 -0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.854 32.330 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.468 28.955 1.339 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.589 31.417 0.984 1.00 0.00 H new ATOM 798 N GLU A 51 6.231 26.096 -3.217 1.00 0.00 N ATOM 799 CA GLU A 51 4.959 25.544 -2.731 1.00 0.00 C ATOM 800 C GLU A 51 5.211 24.657 -1.507 1.00 0.00 C ATOM 801 O GLU A 51 5.531 23.480 -1.633 1.00 0.00 O ATOM 802 CB GLU A 51 4.266 24.748 -3.852 1.00 0.00 C ATOM 803 CG GLU A 51 3.784 25.616 -5.024 1.00 0.00 C ATOM 804 CD GLU A 51 2.724 26.659 -4.629 1.00 0.00 C ATOM 805 OE1 GLU A 51 1.821 26.353 -3.814 1.00 0.00 O ATOM 806 OE2 GLU A 51 2.752 27.792 -5.161 1.00 0.00 O ATOM 0 H GLU A 51 6.922 25.380 -3.443 1.00 0.00 H new ATOM 0 HA GLU A 51 4.301 26.361 -2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.957 23.995 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.413 24.215 -3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.641 26.130 -5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.372 24.969 -5.798 1.00 0.00 H new ATOM 813 N SER A 52 5.074 25.204 -0.300 1.00 0.00 N ATOM 814 CA SER A 52 5.139 24.411 0.936 1.00 0.00 C ATOM 815 C SER A 52 3.834 23.621 1.144 1.00 0.00 C ATOM 816 O SER A 52 2.839 24.151 1.642 1.00 0.00 O ATOM 817 CB SER A 52 5.474 25.297 2.139 1.00 0.00 C ATOM 818 OG SER A 52 6.776 25.845 1.999 1.00 0.00 O ATOM 0 H SER A 52 4.916 26.200 -0.147 1.00 0.00 H new ATOM 0 HA SER A 52 5.946 23.685 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.741 26.100 2.224 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.415 24.713 3.057 1.00 0.00 H new ATOM 0 HG SER A 52 6.978 26.411 2.773 1.00 0.00 H new ATOM 824 N VAL A 53 3.848 22.349 0.744 1.00 0.00 N ATOM 825 CA VAL A 53 2.744 21.387 0.852 1.00 0.00 C ATOM 826 C VAL A 53 2.763 20.714 2.230 1.00 0.00 C ATOM 827 O VAL A 53 3.784 20.162 2.644 1.00 0.00 O ATOM 828 CB VAL A 53 2.838 20.322 -0.266 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.748 19.246 -0.137 1.00 0.00 C ATOM 830 CG2 VAL A 53 2.722 20.959 -1.663 1.00 0.00 C ATOM 0 H VAL A 53 4.675 21.937 0.312 1.00 0.00 H new ATOM 0 HA VAL A 53 1.803 21.925 0.735 1.00 0.00 H new ATOM 0 HB VAL A 53 3.817 19.856 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.855 18.521 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.849 18.739 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.766 19.714 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.792 20.182 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.763 21.469 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.529 21.678 -1.803 1.00 0.00 H new ATOM 840 N ASN A 54 1.607 20.711 2.906 1.00 0.00 N ATOM 841 CA ASN A 54 1.397 19.982 4.161 1.00 0.00 C ATOM 842 C ASN A 54 1.267 18.463 3.903 1.00 0.00 C ATOM 843 O ASN A 54 0.240 17.993 3.411 1.00 0.00 O ATOM 844 CB ASN A 54 0.162 20.556 4.882 1.00 0.00 C ATOM 845 CG ASN A 54 -0.153 19.869 6.212 1.00 0.00 C ATOM 846 OD1 ASN A 54 0.473 18.895 6.613 1.00 0.00 O ATOM 847 ND2 ASN A 54 -1.155 20.347 6.924 1.00 0.00 N ATOM 0 H ASN A 54 0.782 21.221 2.592 1.00 0.00 H new ATOM 0 HA ASN A 54 2.264 20.114 4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.320 21.619 5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.703 20.469 4.225 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.409 19.906 7.808 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.676 21.158 6.591 1.00 0.00 H new ATOM 854 N ILE A 55 2.289 17.679 4.270 1.00 0.00 N ATOM 855 CA ILE A 55 2.303 16.207 4.094 1.00 0.00 C ATOM 856 C ILE A 55 1.340 15.459 5.023 1.00 0.00 C ATOM 857 O ILE A 55 0.861 14.386 4.670 1.00 0.00 O ATOM 858 CB ILE A 55 3.729 15.620 4.251 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.285 15.776 5.686 1.00 0.00 C ATOM 860 CG2 ILE A 55 4.635 16.202 3.158 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.749 15.370 5.856 1.00 0.00 C ATOM 0 H ILE A 55 3.139 18.043 4.701 1.00 0.00 H new ATOM 0 HA ILE A 55 1.954 16.051 3.073 1.00 0.00 H new ATOM 0 HB ILE A 55 3.691 14.540 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.174 16.816 5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.676 15.177 6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.640 15.793 3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.237 15.940 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.673 17.287 3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.048 15.514 6.894 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.869 14.321 5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.375 15.985 5.209 1.00 0.00 H new ATOM 873 N LEU A 56 1.063 16.018 6.203 1.00 0.00 N ATOM 874 CA LEU A 56 0.310 15.359 7.273 1.00 0.00 C ATOM 875 C LEU A 56 -1.209 15.378 7.034 1.00 0.00 C ATOM 876 O LEU A 56 -1.915 14.535 7.583 1.00 0.00 O ATOM 877 CB LEU A 56 0.723 16.010 8.622 1.00 0.00 C ATOM 878 CG LEU A 56 1.499 15.087 9.589 1.00 0.00 C ATOM 879 CD1 LEU A 56 0.621 13.938 10.102 1.00 0.00 C ATOM 880 CD2 LEU A 56 2.789 14.527 8.963 1.00 0.00 C ATOM 0 H LEU A 56 1.362 16.962 6.447 1.00 0.00 H new ATOM 0 HA LEU A 56 0.560 14.298 7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.336 16.886 8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.176 16.364 9.126 1.00 0.00 H new ATOM 0 HG LEU A 56 1.785 15.712 10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.201 13.311 10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.239 14.346 10.633 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.276 13.339 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.295 13.886 9.685 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.540 13.947 8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.447 15.351 8.686 1.00 0.00 H new ATOM 892 N GLU A 57 -1.699 16.290 6.188 1.00 0.00 N ATOM 893 CA GLU A 57 -3.121 16.478 5.877 1.00 0.00 C ATOM 894 C GLU A 57 -3.794 15.228 5.275 1.00 0.00 C ATOM 895 O GLU A 57 -4.918 14.897 5.657 1.00 0.00 O ATOM 896 CB GLU A 57 -3.248 17.672 4.911 1.00 0.00 C ATOM 897 CG GLU A 57 -4.697 18.050 4.584 1.00 0.00 C ATOM 898 CD GLU A 57 -4.742 19.195 3.565 1.00 0.00 C ATOM 899 OE1 GLU A 57 -4.682 20.377 3.980 1.00 0.00 O ATOM 900 OE2 GLU A 57 -4.841 18.920 2.345 1.00 0.00 O ATOM 0 H GLU A 57 -1.096 16.940 5.683 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.644 16.669 6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.746 18.536 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.726 17.435 3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.224 17.182 4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.215 18.347 5.496 1.00 0.00 H new ATOM 907 N ASN A 58 -3.121 14.539 4.342 1.00 0.00 N ATOM 908 CA ASN A 58 -3.711 13.460 3.532 1.00 0.00 C ATOM 909 C ASN A 58 -2.980 12.125 3.751 1.00 0.00 C ATOM 910 O ASN A 58 -1.759 12.061 3.636 1.00 0.00 O ATOM 911 CB ASN A 58 -3.706 13.875 2.047 1.00 0.00 C ATOM 912 CG ASN A 58 -4.495 15.165 1.825 1.00 0.00 C ATOM 913 OD1 ASN A 58 -5.721 15.177 1.848 1.00 0.00 O ATOM 914 ND2 ASN A 58 -3.822 16.288 1.641 1.00 0.00 N ATOM 0 H ASN A 58 -2.140 14.716 4.125 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.742 13.303 3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.679 14.013 1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.135 13.076 1.443 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.323 17.168 1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.802 16.274 1.622 1.00 0.00 H new ATOM 921 N GLU A 59 -3.721 11.045 4.028 1.00 0.00 N ATOM 922 CA GLU A 59 -3.173 9.750 4.472 1.00 0.00 C ATOM 923 C GLU A 59 -2.242 9.067 3.451 1.00 0.00 C ATOM 924 O GLU A 59 -1.297 8.386 3.855 1.00 0.00 O ATOM 925 CB GLU A 59 -4.351 8.843 4.877 1.00 0.00 C ATOM 926 CG GLU A 59 -3.911 7.545 5.566 1.00 0.00 C ATOM 927 CD GLU A 59 -5.114 6.827 6.193 1.00 0.00 C ATOM 928 OE1 GLU A 59 -5.454 7.120 7.365 1.00 0.00 O ATOM 929 OE2 GLU A 59 -5.723 5.957 5.523 1.00 0.00 O ATOM 0 H GLU A 59 -4.738 11.043 3.949 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.524 9.937 5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.012 9.395 5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.932 8.595 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.427 6.889 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.173 7.769 6.336 1.00 0.00 H new ATOM 936 N LEU A 60 -2.448 9.275 2.144 1.00 0.00 N ATOM 937 CA LEU A 60 -1.541 8.778 1.103 1.00 0.00 C ATOM 938 C LEU A 60 -0.224 9.568 1.108 1.00 0.00 C ATOM 939 O LEU A 60 0.849 8.985 1.235 1.00 0.00 O ATOM 940 CB LEU A 60 -2.228 8.813 -0.282 1.00 0.00 C ATOM 941 CG LEU A 60 -3.554 8.035 -0.400 1.00 0.00 C ATOM 942 CD1 LEU A 60 -4.018 8.064 -1.864 1.00 0.00 C ATOM 943 CD2 LEU A 60 -3.438 6.582 0.083 1.00 0.00 C ATOM 0 H LEU A 60 -3.248 9.792 1.779 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.298 7.738 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.416 9.854 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.531 8.418 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.283 8.522 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.956 7.516 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.168 9.097 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.261 7.599 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.402 6.085 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.691 6.059 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.138 6.570 1.131 1.00 0.00 H new ATOM 955 N LEU A 61 -0.305 10.903 1.047 1.00 0.00 N ATOM 956 CA LEU A 61 0.841 11.830 1.047 1.00 0.00 C ATOM 957 C LEU A 61 1.709 11.691 2.312 1.00 0.00 C ATOM 958 O LEU A 61 2.934 11.788 2.242 1.00 0.00 O ATOM 959 CB LEU A 61 0.260 13.249 0.892 1.00 0.00 C ATOM 960 CG LEU A 61 1.291 14.378 0.720 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.095 14.267 -0.580 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.547 15.719 0.735 1.00 0.00 C ATOM 0 H LEU A 61 -1.201 11.388 0.994 1.00 0.00 H new ATOM 0 HA LEU A 61 1.517 11.600 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.407 13.256 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.350 13.469 1.768 1.00 0.00 H new ATOM 0 HG LEU A 61 2.004 14.301 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.804 15.093 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.637 13.321 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.416 14.308 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.262 16.533 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.174 15.744 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.023 15.834 1.684 1.00 0.00 H new ATOM 974 N ARG A 62 1.075 11.371 3.444 1.00 0.00 N ATOM 975 CA ARG A 62 1.703 11.056 4.737 1.00 0.00 C ATOM 976 C ARG A 62 2.649 9.836 4.682 1.00 0.00 C ATOM 977 O ARG A 62 3.515 9.701 5.545 1.00 0.00 O ATOM 978 CB ARG A 62 0.551 10.844 5.739 1.00 0.00 C ATOM 979 CG ARG A 62 0.939 10.850 7.225 1.00 0.00 C ATOM 980 CD ARG A 62 -0.261 10.499 8.122 1.00 0.00 C ATOM 981 NE ARG A 62 -1.378 11.460 7.983 1.00 0.00 N ATOM 982 CZ ARG A 62 -2.673 11.216 8.141 1.00 0.00 C ATOM 983 NH1 ARG A 62 -3.137 10.024 8.456 1.00 0.00 N ATOM 984 NH2 ARG A 62 -3.530 12.200 7.983 1.00 0.00 N ATOM 0 H ARG A 62 0.057 11.321 3.489 1.00 0.00 H new ATOM 0 HA ARG A 62 2.351 11.878 5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.194 11.623 5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.071 9.892 5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.743 10.134 7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.324 11.833 7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.615 9.498 7.873 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.063 10.473 9.162 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.124 12.417 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.493 9.244 8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.141 9.881 8.568 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.196 13.133 7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.529 12.030 8.101 1.00 0.00 H new ATOM 998 N GLN A 63 2.491 8.939 3.698 1.00 0.00 N ATOM 999 CA GLN A 63 3.172 7.637 3.636 1.00 0.00 C ATOM 1000 C GLN A 63 3.966 7.422 2.332 1.00 0.00 C ATOM 1001 O GLN A 63 5.169 7.170 2.383 1.00 0.00 O ATOM 1002 CB GLN A 63 2.113 6.527 3.788 1.00 0.00 C ATOM 1003 CG GLN A 63 1.448 6.497 5.176 1.00 0.00 C ATOM 1004 CD GLN A 63 0.364 5.422 5.251 1.00 0.00 C ATOM 1005 OE1 GLN A 63 0.572 4.313 5.734 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -0.827 5.697 4.759 1.00 0.00 N ATOM 0 H GLN A 63 1.872 9.102 2.904 1.00 0.00 H new ATOM 0 HA GLN A 63 3.901 7.607 4.446 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.343 6.664 3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.581 5.561 3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.203 6.308 5.939 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.012 7.472 5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.012 6.615 4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.564 4.992 4.782 1.00 0.00 H new ATOM 1015 N GLY A 64 3.318 7.532 1.162 1.00 0.00 N ATOM 1016 CA GLY A 64 3.892 7.138 -0.135 1.00 0.00 C ATOM 1017 C GLY A 64 4.936 8.096 -0.712 1.00 0.00 C ATOM 1018 O GLY A 64 5.738 7.684 -1.549 1.00 0.00 O ATOM 0 H GLY A 64 2.370 7.901 1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.348 6.154 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.081 7.036 -0.856 1.00 0.00 H new ATOM 1022 N LEU A 65 4.976 9.350 -0.249 1.00 0.00 N ATOM 1023 CA LEU A 65 5.926 10.373 -0.712 1.00 0.00 C ATOM 1024 C LEU A 65 7.394 9.961 -0.490 1.00 0.00 C ATOM 1025 O LEU A 65 8.245 10.232 -1.333 1.00 0.00 O ATOM 1026 CB LEU A 65 5.567 11.688 0.005 1.00 0.00 C ATOM 1027 CG LEU A 65 6.459 12.898 -0.342 1.00 0.00 C ATOM 1028 CD1 LEU A 65 6.443 13.240 -1.839 1.00 0.00 C ATOM 1029 CD2 LEU A 65 5.976 14.115 0.452 1.00 0.00 C ATOM 0 H LEU A 65 4.339 9.691 0.471 1.00 0.00 H new ATOM 0 HA LEU A 65 5.840 10.500 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.534 11.941 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.615 11.520 1.081 1.00 0.00 H new ATOM 0 HG LEU A 65 7.483 12.634 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.088 14.099 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.804 12.386 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.425 13.478 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.600 14.976 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.941 14.333 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.042 13.903 1.519 1.00 0.00 H new ATOM 1041 N LYS A 66 7.673 9.234 0.598 1.00 0.00 N ATOM 1042 CA LYS A 66 9.005 8.692 0.913 1.00 0.00 C ATOM 1043 C LYS A 66 9.535 7.752 -0.187 1.00 0.00 C ATOM 1044 O LYS A 66 10.729 7.761 -0.492 1.00 0.00 O ATOM 1045 CB LYS A 66 8.926 7.938 2.254 1.00 0.00 C ATOM 1046 CG LYS A 66 8.656 8.860 3.457 1.00 0.00 C ATOM 1047 CD LYS A 66 8.325 8.080 4.738 1.00 0.00 C ATOM 1048 CE LYS A 66 9.450 7.125 5.174 1.00 0.00 C ATOM 1049 NZ LYS A 66 9.115 6.417 6.440 1.00 0.00 N ATOM 0 H LYS A 66 6.969 9.000 1.298 1.00 0.00 H new ATOM 0 HA LYS A 66 9.703 9.526 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.137 7.189 2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.862 7.403 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.531 9.486 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.828 9.528 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.124 8.786 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.411 7.507 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.632 6.394 4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.374 7.688 5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.897 5.783 6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.966 7.113 7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.247 5.859 6.307 1.00 0.00 H new ATOM 1063 N GLU A 67 8.648 6.953 -0.791 1.00 0.00 N ATOM 1064 CA GLU A 67 8.966 6.046 -1.901 1.00 0.00 C ATOM 1065 C GLU A 67 8.962 6.768 -3.261 1.00 0.00 C ATOM 1066 O GLU A 67 9.733 6.402 -4.150 1.00 0.00 O ATOM 1067 CB GLU A 67 7.971 4.873 -1.933 1.00 0.00 C ATOM 1068 CG GLU A 67 8.050 4.002 -0.675 1.00 0.00 C ATOM 1069 CD GLU A 67 7.147 2.767 -0.797 1.00 0.00 C ATOM 1070 OE1 GLU A 67 7.608 1.723 -1.321 1.00 0.00 O ATOM 1071 OE2 GLU A 67 5.969 2.824 -0.370 1.00 0.00 O ATOM 0 H GLU A 67 7.666 6.918 -0.516 1.00 0.00 H new ATOM 0 HA GLU A 67 9.974 5.669 -1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.958 5.263 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.168 4.257 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.081 3.687 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.754 4.588 0.195 1.00 0.00 H new ATOM 1078 N TYR A 68 8.133 7.808 -3.425 1.00 0.00 N ATOM 1079 CA TYR A 68 8.101 8.644 -4.632 1.00 0.00 C ATOM 1080 C TYR A 68 9.429 9.385 -4.869 1.00 0.00 C ATOM 1081 O TYR A 68 9.908 9.449 -6.004 1.00 0.00 O ATOM 1082 CB TYR A 68 6.936 9.638 -4.524 1.00 0.00 C ATOM 1083 CG TYR A 68 6.700 10.455 -5.779 1.00 0.00 C ATOM 1084 CD1 TYR A 68 5.910 9.924 -6.815 1.00 0.00 C ATOM 1085 CD2 TYR A 68 7.259 11.741 -5.911 1.00 0.00 C ATOM 1086 CE1 TYR A 68 5.665 10.677 -7.980 1.00 0.00 C ATOM 1087 CE2 TYR A 68 7.017 12.501 -7.070 1.00 0.00 C ATOM 1088 CZ TYR A 68 6.216 11.973 -8.108 1.00 0.00 C ATOM 1089 OH TYR A 68 5.979 12.706 -9.231 1.00 0.00 O ATOM 0 H TYR A 68 7.459 8.095 -2.716 1.00 0.00 H new ATOM 0 HA TYR A 68 7.954 7.991 -5.493 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.025 9.089 -4.284 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.127 10.316 -3.693 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.489 8.934 -6.717 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.875 12.145 -5.121 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.058 10.266 -8.773 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.444 13.488 -7.167 1.00 0.00 H new ATOM 0 HH TYR A 68 6.430 13.573 -9.157 1.00 0.00 H new ATOM 1099 N SER A 69 10.050 9.923 -3.813 1.00 0.00 N ATOM 1100 CA SER A 69 11.399 10.498 -3.876 1.00 0.00 C ATOM 1101 C SER A 69 12.494 9.414 -3.773 1.00 0.00 C ATOM 1102 O SER A 69 13.190 9.156 -4.754 1.00 0.00 O ATOM 1103 CB SER A 69 11.552 11.561 -2.775 1.00 0.00 C ATOM 1104 OG SER A 69 11.286 11.041 -1.483 1.00 0.00 O ATOM 0 H SER A 69 9.629 9.972 -2.885 1.00 0.00 H new ATOM 0 HA SER A 69 11.529 10.972 -4.849 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.564 11.964 -2.800 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.874 12.390 -2.977 1.00 0.00 H new ATOM 0 HG SER A 69 10.900 11.745 -0.920 1.00 0.00 H new ATOM 1110 N SER A 70 12.607 8.792 -2.592 1.00 0.00 N ATOM 1111 CA SER A 70 13.616 7.860 -2.023 1.00 0.00 C ATOM 1112 C SER A 70 14.200 8.411 -0.702 1.00 0.00 C ATOM 1113 O SER A 70 14.875 7.687 0.034 1.00 0.00 O ATOM 1114 CB SER A 70 14.790 7.503 -2.957 1.00 0.00 C ATOM 1115 OG SER A 70 14.347 6.884 -4.149 1.00 0.00 O ATOM 0 H SER A 70 11.878 8.953 -1.897 1.00 0.00 H new ATOM 0 HA SER A 70 13.053 6.941 -1.859 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.346 8.408 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.478 6.837 -2.436 1.00 0.00 H new ATOM 0 HG SER A 70 13.904 7.548 -4.717 1.00 0.00 H new ATOM 1121 N TRP A 71 13.963 9.694 -0.391 1.00 0.00 N ATOM 1122 CA TRP A 71 14.501 10.389 0.781 1.00 0.00 C ATOM 1123 C TRP A 71 13.858 9.888 2.099 1.00 0.00 C ATOM 1124 O TRP A 71 12.623 9.864 2.196 1.00 0.00 O ATOM 1125 CB TRP A 71 14.264 11.893 0.590 1.00 0.00 C ATOM 1126 CG TRP A 71 14.657 12.785 1.729 1.00 0.00 C ATOM 1127 CD1 TRP A 71 13.786 13.455 2.516 1.00 0.00 C ATOM 1128 CD2 TRP A 71 15.986 13.116 2.244 1.00 0.00 C ATOM 1129 NE1 TRP A 71 14.471 14.183 3.466 1.00 0.00 N ATOM 1130 CE2 TRP A 71 15.829 13.973 3.378 1.00 0.00 C ATOM 1131 CE3 TRP A 71 17.307 12.776 1.877 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 16.921 14.427 4.135 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 18.411 13.245 2.618 1.00 0.00 C ATOM 1134 CH2 TRP A 71 18.221 14.060 3.749 1.00 0.00 C ATOM 0 H TRP A 71 13.373 10.293 -0.968 1.00 0.00 H new ATOM 0 HA TRP A 71 15.568 10.181 0.865 1.00 0.00 H new ATOM 0 HB2 TRP A 71 14.809 12.214 -0.298 1.00 0.00 H new ATOM 0 HB3 TRP A 71 13.204 12.048 0.386 1.00 0.00 H new ATOM 0 HD1 TRP A 71 12.711 13.425 2.416 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.028 14.799 4.148 1.00 0.00 H new ATOM 0 HE3 TRP A 71 17.474 12.147 1.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 16.764 15.050 5.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 19.412 12.976 2.315 1.00 0.00 H new ATOM 0 HH2 TRP A 71 19.072 14.403 4.319 1.00 0.00 H new ATOM 1145 N PRO A 72 14.655 9.501 3.119 1.00 0.00 N ATOM 1146 CA PRO A 72 14.149 9.124 4.434 1.00 0.00 C ATOM 1147 C PRO A 72 13.839 10.373 5.273 1.00 0.00 C ATOM 1148 O PRO A 72 14.612 11.332 5.268 1.00 0.00 O ATOM 1149 CB PRO A 72 15.255 8.275 5.065 1.00 0.00 C ATOM 1150 CG PRO A 72 16.534 8.865 4.467 1.00 0.00 C ATOM 1151 CD PRO A 72 16.102 9.311 3.070 1.00 0.00 C ATOM 0 HA PRO A 72 13.214 8.567 4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.248 8.349 6.152 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.144 7.220 4.816 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.905 9.702 5.059 1.00 0.00 H new ATOM 0 HG3 PRO A 72 17.334 8.126 4.423 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.604 10.236 2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 72 16.369 8.562 2.325 1.00 0.00 H new ATOM 1159 N THR A 73 12.725 10.326 6.023 1.00 0.00 N ATOM 1160 CA THR A 73 12.210 11.369 6.944 1.00 0.00 C ATOM 1161 C THR A 73 11.798 12.665 6.220 1.00 0.00 C ATOM 1162 O THR A 73 11.794 12.735 4.990 1.00 0.00 O ATOM 1163 CB THR A 73 13.158 11.631 8.136 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.299 12.320 7.703 1.00 0.00 O ATOM 1165 CG2 THR A 73 13.596 10.351 8.850 1.00 0.00 C ATOM 0 H THR A 73 12.116 9.508 6.005 1.00 0.00 H new ATOM 0 HA THR A 73 11.292 10.961 7.367 1.00 0.00 H new ATOM 0 HB THR A 73 12.592 12.230 8.850 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.346 12.293 6.724 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.260 10.604 9.677 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.719 9.831 9.235 1.00 0.00 H new ATOM 0 HG23 THR A 73 14.122 9.704 8.148 1.00 0.00 H new ATOM 1173 N PHE A 74 11.430 13.691 6.997 1.00 0.00 N ATOM 1174 CA PHE A 74 11.045 15.034 6.536 1.00 0.00 C ATOM 1175 C PHE A 74 11.662 16.120 7.454 1.00 0.00 C ATOM 1176 O PHE A 74 12.003 15.792 8.600 1.00 0.00 O ATOM 1177 CB PHE A 74 9.510 15.118 6.495 1.00 0.00 C ATOM 1178 CG PHE A 74 8.901 14.259 5.402 1.00 0.00 C ATOM 1179 CD1 PHE A 74 8.935 14.706 4.067 1.00 0.00 C ATOM 1180 CD2 PHE A 74 8.334 13.006 5.708 1.00 0.00 C ATOM 1181 CE1 PHE A 74 8.423 13.895 3.039 1.00 0.00 C ATOM 1182 CE2 PHE A 74 7.804 12.205 4.680 1.00 0.00 C ATOM 1183 CZ PHE A 74 7.857 12.645 3.345 1.00 0.00 C ATOM 0 H PHE A 74 11.390 13.605 8.013 1.00 0.00 H new ATOM 0 HA PHE A 74 11.431 15.214 5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 74 9.108 14.808 7.460 1.00 0.00 H new ATOM 0 HB3 PHE A 74 9.212 16.155 6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.355 15.673 3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.306 12.661 6.731 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.465 14.232 2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.356 11.251 4.916 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.463 12.023 2.555 1.00 0.00 H new ATOM 1193 N PRO A 75 11.792 17.397 7.021 1.00 0.00 N ATOM 1194 CA PRO A 75 11.389 17.987 5.736 1.00 0.00 C ATOM 1195 C PRO A 75 12.074 17.406 4.492 1.00 0.00 C ATOM 1196 O PRO A 75 13.105 16.736 4.583 1.00 0.00 O ATOM 1197 CB PRO A 75 11.719 19.483 5.844 1.00 0.00 C ATOM 1198 CG PRO A 75 11.699 19.756 7.343 1.00 0.00 C ATOM 1199 CD PRO A 75 12.259 18.456 7.909 1.00 0.00 C ATOM 0 HA PRO A 75 10.332 17.768 5.585 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.693 19.710 5.410 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.985 20.093 5.317 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.314 20.616 7.609 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.692 19.959 7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.348 18.483 7.945 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.910 18.292 8.929 1.00 0.00 H new ATOM 1207 N GLN A 76 11.505 17.716 3.324 1.00 0.00 N ATOM 1208 CA GLN A 76 12.032 17.359 2.007 1.00 0.00 C ATOM 1209 C GLN A 76 11.795 18.519 1.026 1.00 0.00 C ATOM 1210 O GLN A 76 10.682 19.035 0.926 1.00 0.00 O ATOM 1211 CB GLN A 76 11.320 16.080 1.530 1.00 0.00 C ATOM 1212 CG GLN A 76 11.798 15.546 0.168 1.00 0.00 C ATOM 1213 CD GLN A 76 10.855 14.465 -0.360 1.00 0.00 C ATOM 1214 OE1 GLN A 76 11.019 13.278 -0.121 1.00 0.00 O ATOM 1215 NE2 GLN A 76 9.819 14.820 -1.092 1.00 0.00 N ATOM 0 H GLN A 76 10.633 18.242 3.269 1.00 0.00 H new ATOM 0 HA GLN A 76 13.105 17.175 2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.461 15.301 2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.249 16.277 1.472 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.854 16.366 -0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.804 15.139 0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.659 15.804 -1.306 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.177 14.111 -1.445 1.00 0.00 H new ATOM 1224 N LEU A 77 12.821 18.899 0.264 1.00 0.00 N ATOM 1225 CA LEU A 77 12.734 19.843 -0.856 1.00 0.00 C ATOM 1226 C LEU A 77 12.781 19.052 -2.174 1.00 0.00 C ATOM 1227 O LEU A 77 13.559 18.109 -2.317 1.00 0.00 O ATOM 1228 CB LEU A 77 13.896 20.850 -0.710 1.00 0.00 C ATOM 1229 CG LEU A 77 13.734 22.237 -1.368 1.00 0.00 C ATOM 1230 CD1 LEU A 77 15.057 22.989 -1.215 1.00 0.00 C ATOM 1231 CD2 LEU A 77 13.359 22.232 -2.850 1.00 0.00 C ATOM 0 H LEU A 77 13.767 18.548 0.412 1.00 0.00 H new ATOM 0 HA LEU A 77 11.800 20.404 -0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.075 21.003 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.794 20.387 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 77 12.897 22.711 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.970 23.975 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.292 23.100 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.853 22.429 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.272 23.258 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.131 21.714 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.406 21.720 -2.982 1.00 0.00 H new ATOM 1243 N TYR A 78 11.947 19.433 -3.140 1.00 0.00 N ATOM 1244 CA TYR A 78 11.812 18.804 -4.457 1.00 0.00 C ATOM 1245 C TYR A 78 11.758 19.870 -5.569 1.00 0.00 C ATOM 1246 O TYR A 78 11.078 20.894 -5.421 1.00 0.00 O ATOM 1247 CB TYR A 78 10.536 17.950 -4.423 1.00 0.00 C ATOM 1248 CG TYR A 78 10.479 16.824 -5.433 1.00 0.00 C ATOM 1249 CD1 TYR A 78 10.239 17.103 -6.790 1.00 0.00 C ATOM 1250 CD2 TYR A 78 10.620 15.489 -5.004 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.131 16.048 -7.713 1.00 0.00 C ATOM 1252 CE2 TYR A 78 10.517 14.431 -5.926 1.00 0.00 C ATOM 1253 CZ TYR A 78 10.272 14.711 -7.289 1.00 0.00 C ATOM 1254 OH TYR A 78 10.153 13.702 -8.196 1.00 0.00 O ATOM 0 H TYR A 78 11.316 20.226 -3.022 1.00 0.00 H new ATOM 0 HA TYR A 78 12.674 18.175 -4.679 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.430 17.525 -3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.678 18.603 -4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.138 18.126 -7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.808 15.277 -3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.939 16.263 -8.754 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.625 13.409 -5.593 1.00 0.00 H new ATOM 0 HH TYR A 78 9.311 13.224 -8.045 1.00 0.00 H new ATOM 1264 N ILE A 79 12.463 19.646 -6.685 1.00 0.00 N ATOM 1265 CA ILE A 79 12.569 20.603 -7.800 1.00 0.00 C ATOM 1266 C ILE A 79 12.542 19.897 -9.171 1.00 0.00 C ATOM 1267 O ILE A 79 13.363 19.022 -9.438 1.00 0.00 O ATOM 1268 CB ILE A 79 13.812 21.537 -7.697 1.00 0.00 C ATOM 1269 CG1 ILE A 79 14.457 21.641 -6.295 1.00 0.00 C ATOM 1270 CG2 ILE A 79 13.374 22.936 -8.168 1.00 0.00 C ATOM 1271 CD1 ILE A 79 15.693 22.550 -6.220 1.00 0.00 C ATOM 0 H ILE A 79 12.984 18.784 -6.844 1.00 0.00 H new ATOM 0 HA ILE A 79 11.686 21.236 -7.718 1.00 0.00 H new ATOM 0 HB ILE A 79 14.589 21.097 -8.322 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.709 22.010 -5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.738 20.641 -5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 79 14.220 23.621 -8.110 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.023 22.880 -9.198 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.569 23.299 -7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.076 22.560 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.463 22.173 -6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.418 23.563 -6.515 1.00 0.00 H new ATOM 1283 N ASP A 80 11.610 20.301 -10.039 1.00 0.00 N ATOM 1284 CA ASP A 80 11.509 19.935 -11.468 1.00 0.00 C ATOM 1285 C ASP A 80 11.757 18.439 -11.775 1.00 0.00 C ATOM 1286 O ASP A 80 12.549 18.076 -12.650 1.00 0.00 O ATOM 1287 CB ASP A 80 12.366 20.893 -12.314 1.00 0.00 C ATOM 1288 CG ASP A 80 12.109 20.767 -13.830 1.00 0.00 C ATOM 1289 OD1 ASP A 80 10.922 20.688 -14.235 1.00 0.00 O ATOM 1290 OD2 ASP A 80 13.088 20.775 -14.618 1.00 0.00 O ATOM 0 H ASP A 80 10.859 20.929 -9.753 1.00 0.00 H new ATOM 0 HA ASP A 80 10.466 20.064 -11.758 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.166 21.918 -12.003 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.420 20.699 -12.114 1.00 0.00 H new ATOM 1295 N GLY A 81 11.073 17.559 -11.031 1.00 0.00 N ATOM 1296 CA GLY A 81 11.122 16.101 -11.232 1.00 0.00 C ATOM 1297 C GLY A 81 12.209 15.361 -10.436 1.00 0.00 C ATOM 1298 O GLY A 81 12.326 14.146 -10.596 1.00 0.00 O ATOM 0 H GLY A 81 10.463 17.841 -10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.152 15.682 -10.965 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.274 15.903 -12.293 1.00 0.00 H new ATOM 1302 N GLU A 82 12.982 16.048 -9.586 1.00 0.00 N ATOM 1303 CA GLU A 82 14.010 15.450 -8.722 1.00 0.00 C ATOM 1304 C GLU A 82 13.883 15.930 -7.264 1.00 0.00 C ATOM 1305 O GLU A 82 13.593 17.100 -7.002 1.00 0.00 O ATOM 1306 CB GLU A 82 15.416 15.819 -9.235 1.00 0.00 C ATOM 1307 CG GLU A 82 15.766 15.248 -10.619 1.00 0.00 C ATOM 1308 CD GLU A 82 15.824 13.709 -10.671 1.00 0.00 C ATOM 1309 OE1 GLU A 82 16.186 13.061 -9.659 1.00 0.00 O ATOM 1310 OE2 GLU A 82 15.554 13.133 -11.754 1.00 0.00 O ATOM 0 H GLU A 82 12.909 17.059 -9.477 1.00 0.00 H new ATOM 0 HA GLU A 82 13.863 14.370 -8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.500 16.905 -9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.155 15.467 -8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 82 15.028 15.597 -11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.731 15.648 -10.931 1.00 0.00 H new ATOM 1317 N PHE A 83 14.150 15.044 -6.297 1.00 0.00 N ATOM 1318 CA PHE A 83 14.275 15.440 -4.891 1.00 0.00 C ATOM 1319 C PHE A 83 15.690 15.974 -4.598 1.00 0.00 C ATOM 1320 O PHE A 83 16.685 15.463 -5.123 1.00 0.00 O ATOM 1321 CB PHE A 83 13.847 14.307 -3.948 1.00 0.00 C ATOM 1322 CG PHE A 83 14.878 13.221 -3.704 1.00 0.00 C ATOM 1323 CD1 PHE A 83 14.951 12.101 -4.551 1.00 0.00 C ATOM 1324 CD2 PHE A 83 15.749 13.321 -2.603 1.00 0.00 C ATOM 1325 CE1 PHE A 83 15.891 11.086 -4.295 1.00 0.00 C ATOM 1326 CE2 PHE A 83 16.687 12.307 -2.345 1.00 0.00 C ATOM 1327 CZ PHE A 83 16.754 11.185 -3.188 1.00 0.00 C ATOM 0 H PHE A 83 14.284 14.047 -6.464 1.00 0.00 H new ATOM 0 HA PHE A 83 13.586 16.262 -4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.574 14.744 -2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.948 13.843 -4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.286 12.020 -5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.696 14.182 -1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.950 10.229 -4.950 1.00 0.00 H new ATOM 0 HE2 PHE A 83 17.355 12.390 -1.500 1.00 0.00 H new ATOM 0 HZ PHE A 83 17.467 10.399 -2.987 1.00 0.00 H new ATOM 1337 N PHE A 84 15.779 17.006 -3.751 1.00 0.00 N ATOM 1338 CA PHE A 84 17.040 17.638 -3.351 1.00 0.00 C ATOM 1339 C PHE A 84 17.590 17.053 -2.037 1.00 0.00 C ATOM 1340 O PHE A 84 18.806 16.953 -1.860 1.00 0.00 O ATOM 1341 CB PHE A 84 16.797 19.150 -3.219 1.00 0.00 C ATOM 1342 CG PHE A 84 18.056 19.985 -3.335 1.00 0.00 C ATOM 1343 CD1 PHE A 84 18.882 20.202 -2.213 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.415 20.534 -4.581 1.00 0.00 C ATOM 1345 CE1 PHE A 84 20.062 20.957 -2.343 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.588 21.296 -4.706 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.415 21.504 -3.589 1.00 0.00 C ATOM 0 H PHE A 84 14.961 17.433 -3.317 1.00 0.00 H new ATOM 0 HA PHE A 84 17.795 17.441 -4.112 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.092 19.464 -3.989 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.327 19.350 -2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 84 18.609 19.788 -1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.786 20.369 -5.443 1.00 0.00 H new ATOM 0 HE1 PHE A 84 20.697 21.117 -1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 84 19.855 21.723 -5.662 1.00 0.00 H new ATOM 0 HZ PHE A 84 21.321 22.084 -3.688 1.00 0.00 H new ATOM 1357 N GLY A 85 16.693 16.660 -1.123 1.00 0.00 N ATOM 1358 CA GLY A 85 17.003 16.199 0.237 1.00 0.00 C ATOM 1359 C GLY A 85 16.380 17.101 1.304 1.00 0.00 C ATOM 1360 O GLY A 85 15.356 17.743 1.059 1.00 0.00 O ATOM 0 H GLY A 85 15.692 16.654 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.639 15.180 0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.084 16.171 0.373 1.00 0.00 H new ATOM 1364 N GLY A 86 16.984 17.137 2.494 1.00 0.00 N ATOM 1365 CA GLY A 86 16.532 17.952 3.630 1.00 0.00 C ATOM 1366 C GLY A 86 17.059 19.390 3.586 1.00 0.00 C ATOM 1367 O GLY A 86 18.044 19.686 2.912 1.00 0.00 O ATOM 0 H GLY A 86 17.819 16.589 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.442 17.971 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.855 17.481 4.558 1.00 0.00 H new ATOM 1371 N CYS A 87 16.425 20.283 4.351 1.00 0.00 N ATOM 1372 CA CYS A 87 16.717 21.727 4.350 1.00 0.00 C ATOM 1373 C CYS A 87 18.179 22.065 4.702 1.00 0.00 C ATOM 1374 O CYS A 87 18.755 22.997 4.137 1.00 0.00 O ATOM 1375 CB CYS A 87 15.727 22.418 5.308 1.00 0.00 C ATOM 1376 SG CYS A 87 14.034 22.236 4.668 1.00 0.00 S ATOM 0 H CYS A 87 15.682 20.023 5.000 1.00 0.00 H new ATOM 0 HA CYS A 87 16.588 22.100 3.334 1.00 0.00 H new ATOM 0 HB2 CYS A 87 15.800 21.978 6.303 1.00 0.00 H new ATOM 0 HB3 CYS A 87 15.978 23.474 5.407 1.00 0.00 H new ATOM 0 HG CYS A 87 13.183 22.595 5.583 1.00 0.00 H new ATOM 1382 N ASP A 88 18.812 21.281 5.578 1.00 0.00 N ATOM 1383 CA ASP A 88 20.236 21.403 5.919 1.00 0.00 C ATOM 1384 C ASP A 88 21.134 21.281 4.676 1.00 0.00 C ATOM 1385 O ASP A 88 22.026 22.106 4.468 1.00 0.00 O ATOM 1386 CB ASP A 88 20.616 20.307 6.929 1.00 0.00 C ATOM 1387 CG ASP A 88 19.957 20.502 8.304 1.00 0.00 C ATOM 1388 OD1 ASP A 88 18.793 20.067 8.480 1.00 0.00 O ATOM 1389 OD2 ASP A 88 20.624 21.058 9.211 1.00 0.00 O ATOM 0 H ASP A 88 18.342 20.528 6.081 1.00 0.00 H new ATOM 0 HA ASP A 88 20.392 22.391 6.352 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.327 19.335 6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.699 20.292 7.050 1.00 0.00 H new ATOM 1394 N ILE A 89 20.851 20.297 3.814 1.00 0.00 N ATOM 1395 CA ILE A 89 21.570 20.082 2.547 1.00 0.00 C ATOM 1396 C ILE A 89 21.389 21.304 1.639 1.00 0.00 C ATOM 1397 O ILE A 89 22.368 21.791 1.077 1.00 0.00 O ATOM 1398 CB ILE A 89 21.122 18.759 1.866 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.350 17.553 2.812 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.865 18.550 0.532 1.00 0.00 C ATOM 1401 CD1 ILE A 89 20.902 16.198 2.248 1.00 0.00 C ATOM 0 H ILE A 89 20.107 19.618 3.976 1.00 0.00 H new ATOM 0 HA ILE A 89 22.635 19.973 2.750 1.00 0.00 H new ATOM 0 HB ILE A 89 20.055 18.832 1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 89 22.411 17.496 3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 89 20.818 17.736 3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.535 17.618 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 89 21.648 19.381 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.938 18.503 0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.101 15.415 2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.834 16.229 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 89 21.452 15.986 1.331 1.00 0.00 H new ATOM 1413 N THR A 90 20.170 21.856 1.565 1.00 0.00 N ATOM 1414 CA THR A 90 19.851 23.069 0.789 1.00 0.00 C ATOM 1415 C THR A 90 20.606 24.286 1.302 1.00 0.00 C ATOM 1416 O THR A 90 21.192 25.003 0.498 1.00 0.00 O ATOM 1417 CB THR A 90 18.346 23.338 0.821 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.682 22.164 0.430 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.945 24.494 -0.097 1.00 0.00 C ATOM 0 H THR A 90 19.361 21.467 2.050 1.00 0.00 H new ATOM 0 HA THR A 90 20.167 22.891 -0.239 1.00 0.00 H new ATOM 0 HB THR A 90 18.065 23.627 1.834 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.177 21.736 -0.300 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.867 24.647 -0.040 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.458 25.403 0.218 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.224 24.257 -1.124 1.00 0.00 H new ATOM 1427 N VAL A 91 20.631 24.509 2.617 1.00 0.00 N ATOM 1428 CA VAL A 91 21.355 25.642 3.218 1.00 0.00 C ATOM 1429 C VAL A 91 22.862 25.569 2.913 1.00 0.00 C ATOM 1430 O VAL A 91 23.451 26.588 2.552 1.00 0.00 O ATOM 1431 CB VAL A 91 21.071 25.743 4.736 1.00 0.00 C ATOM 1432 CG1 VAL A 91 21.996 26.736 5.463 1.00 0.00 C ATOM 1433 CG2 VAL A 91 19.619 26.204 4.967 1.00 0.00 C ATOM 0 H VAL A 91 20.154 23.916 3.296 1.00 0.00 H new ATOM 0 HA VAL A 91 20.984 26.559 2.761 1.00 0.00 H new ATOM 0 HB VAL A 91 21.250 24.748 5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 91 21.744 26.759 6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 91 23.033 26.422 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.867 27.731 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 91 19.425 26.273 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.470 27.181 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.933 25.484 4.520 1.00 0.00 H new ATOM 1443 N GLU A 92 23.483 24.383 2.987 1.00 0.00 N ATOM 1444 CA GLU A 92 24.904 24.206 2.648 1.00 0.00 C ATOM 1445 C GLU A 92 25.170 24.266 1.130 1.00 0.00 C ATOM 1446 O GLU A 92 26.198 24.801 0.700 1.00 0.00 O ATOM 1447 CB GLU A 92 25.429 22.888 3.243 1.00 0.00 C ATOM 1448 CG GLU A 92 25.418 22.846 4.781 1.00 0.00 C ATOM 1449 CD GLU A 92 26.290 23.944 5.412 1.00 0.00 C ATOM 1450 OE1 GLU A 92 27.535 23.890 5.272 1.00 0.00 O ATOM 1451 OE2 GLU A 92 25.738 24.858 6.071 1.00 0.00 O ATOM 0 H GLU A 92 23.019 23.524 3.282 1.00 0.00 H new ATOM 0 HA GLU A 92 25.446 25.043 3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 92 24.825 22.064 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 92 26.448 22.724 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 92 24.393 22.953 5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 92 25.771 21.871 5.116 1.00 0.00 H new ATOM 1458 N ALA A 93 24.245 23.782 0.296 1.00 0.00 N ATOM 1459 CA ALA A 93 24.316 23.894 -1.162 1.00 0.00 C ATOM 1460 C ALA A 93 24.209 25.349 -1.637 1.00 0.00 C ATOM 1461 O ALA A 93 24.890 25.730 -2.588 1.00 0.00 O ATOM 1462 CB ALA A 93 23.210 23.024 -1.770 1.00 0.00 C ATOM 0 H ALA A 93 23.411 23.293 0.622 1.00 0.00 H new ATOM 0 HA ALA A 93 25.291 23.541 -1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 93 23.247 23.095 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 93 23.356 21.987 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 93 22.239 23.371 -1.417 1.00 0.00 H new ATOM 1468 N TYR A 94 23.412 26.185 -0.967 1.00 0.00 N ATOM 1469 CA TYR A 94 23.313 27.621 -1.250 1.00 0.00 C ATOM 1470 C TYR A 94 24.603 28.381 -0.891 1.00 0.00 C ATOM 1471 O TYR A 94 25.058 29.225 -1.664 1.00 0.00 O ATOM 1472 CB TYR A 94 22.102 28.193 -0.502 1.00 0.00 C ATOM 1473 CG TYR A 94 21.827 29.654 -0.814 1.00 0.00 C ATOM 1474 CD1 TYR A 94 21.438 30.036 -2.113 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.962 30.633 0.191 1.00 0.00 C ATOM 1476 CE1 TYR A 94 21.165 31.383 -2.409 1.00 0.00 C ATOM 1477 CE2 TYR A 94 21.693 31.985 -0.101 1.00 0.00 C ATOM 1478 CZ TYR A 94 21.289 32.365 -1.401 1.00 0.00 C ATOM 1479 OH TYR A 94 21.015 33.672 -1.671 1.00 0.00 O ATOM 0 H TYR A 94 22.809 25.881 -0.203 1.00 0.00 H new ATOM 0 HA TYR A 94 23.177 27.753 -2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 94 21.220 27.604 -0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 94 22.263 28.084 0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 94 21.349 29.288 -2.887 1.00 0.00 H new ATOM 0 HD2 TYR A 94 22.272 30.347 1.185 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.861 31.667 -3.406 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.796 32.733 0.671 1.00 0.00 H new ATOM 0 HH TYR A 94 21.152 34.209 -0.862 1.00 0.00 H new ATOM 1489 N LYS A 95 25.249 28.029 0.232 1.00 0.00 N ATOM 1490 CA LYS A 95 26.592 28.527 0.585 1.00 0.00 C ATOM 1491 C LYS A 95 27.663 28.068 -0.428 1.00 0.00 C ATOM 1492 O LYS A 95 28.603 28.805 -0.726 1.00 0.00 O ATOM 1493 CB LYS A 95 26.970 28.035 1.991 1.00 0.00 C ATOM 1494 CG LYS A 95 26.127 28.650 3.118 1.00 0.00 C ATOM 1495 CD LYS A 95 26.461 27.942 4.437 1.00 0.00 C ATOM 1496 CE LYS A 95 25.522 28.376 5.567 1.00 0.00 C ATOM 1497 NZ LYS A 95 25.768 27.572 6.793 1.00 0.00 N ATOM 0 H LYS A 95 24.856 27.390 0.923 1.00 0.00 H new ATOM 0 HA LYS A 95 26.559 29.616 0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 95 26.867 26.950 2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 95 28.021 28.261 2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 95 26.332 29.717 3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 95 25.065 28.546 2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 95 26.390 26.863 4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 95 27.492 28.160 4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 95 25.671 29.434 5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 95 24.486 28.258 5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 24.944 27.640 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 25.922 26.577 6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 26.610 27.935 7.283 1.00 0.00 H new ATOM 1511 N SER A 96 27.508 26.859 -0.977 1.00 0.00 N ATOM 1512 CA SER A 96 28.449 26.259 -1.937 1.00 0.00 C ATOM 1513 C SER A 96 28.193 26.684 -3.402 1.00 0.00 C ATOM 1514 O SER A 96 29.024 26.417 -4.273 1.00 0.00 O ATOM 1515 CB SER A 96 28.375 24.727 -1.813 1.00 0.00 C ATOM 1516 OG SER A 96 28.583 24.286 -0.475 1.00 0.00 O ATOM 0 H SER A 96 26.712 26.257 -0.765 1.00 0.00 H new ATOM 0 HA SER A 96 29.445 26.625 -1.687 1.00 0.00 H new ATOM 0 HB2 SER A 96 27.401 24.383 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 96 29.124 24.275 -2.464 1.00 0.00 H new ATOM 0 HG SER A 96 27.772 24.446 0.052 1.00 0.00 H new ATOM 1522 N GLY A 97 27.044 27.319 -3.690 1.00 0.00 N ATOM 1523 CA GLY A 97 26.612 27.760 -5.032 1.00 0.00 C ATOM 1524 C GLY A 97 25.871 26.688 -5.840 1.00 0.00 C ATOM 1525 O GLY A 97 25.326 26.977 -6.904 1.00 0.00 O ATOM 0 H GLY A 97 26.362 27.549 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.964 28.630 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.488 28.082 -5.595 1.00 0.00 H new ATOM 1529 N GLU A 98 25.805 25.460 -5.321 1.00 0.00 N ATOM 1530 CA GLU A 98 25.232 24.291 -5.996 1.00 0.00 C ATOM 1531 C GLU A 98 23.712 24.417 -6.147 1.00 0.00 C ATOM 1532 O GLU A 98 23.170 24.072 -7.197 1.00 0.00 O ATOM 1533 CB GLU A 98 25.590 23.005 -5.229 1.00 0.00 C ATOM 1534 CG GLU A 98 27.104 22.825 -5.050 1.00 0.00 C ATOM 1535 CD GLU A 98 27.427 21.433 -4.488 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.438 21.268 -3.245 1.00 0.00 O ATOM 1537 OE2 GLU A 98 27.680 20.500 -5.285 1.00 0.00 O ATOM 0 H GLU A 98 26.160 25.244 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 98 25.661 24.240 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 98 25.112 23.026 -4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 98 25.186 22.144 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.606 22.960 -6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.489 23.592 -4.377 1.00 0.00 H new ATOM 1544 N LEU A 99 23.021 24.983 -5.143 1.00 0.00 N ATOM 1545 CA LEU A 99 21.578 25.242 -5.236 1.00 0.00 C ATOM 1546 C LEU A 99 21.264 26.222 -6.370 1.00 0.00 C ATOM 1547 O LEU A 99 20.308 26.006 -7.104 1.00 0.00 O ATOM 1548 CB LEU A 99 21.047 25.769 -3.887 1.00 0.00 C ATOM 1549 CG LEU A 99 19.517 26.008 -3.876 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.725 24.702 -4.023 1.00 0.00 C ATOM 1551 CD2 LEU A 99 19.135 26.718 -2.573 1.00 0.00 C ATOM 0 H LEU A 99 23.440 25.269 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 99 21.073 24.304 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.301 25.056 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.554 26.703 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 99 19.262 26.630 -4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.657 24.921 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.986 24.223 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.969 24.034 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 99 18.059 26.891 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 99 19.417 26.096 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.657 27.673 -2.512 1.00 0.00 H new ATOM 1563 N GLN A 100 22.076 27.269 -6.548 1.00 0.00 N ATOM 1564 CA GLN A 100 21.862 28.260 -7.611 1.00 0.00 C ATOM 1565 C GLN A 100 21.925 27.572 -8.985 1.00 0.00 C ATOM 1566 O GLN A 100 20.996 27.712 -9.781 1.00 0.00 O ATOM 1567 CB GLN A 100 22.881 29.412 -7.520 1.00 0.00 C ATOM 1568 CG GLN A 100 22.914 30.111 -6.146 1.00 0.00 C ATOM 1569 CD GLN A 100 23.722 31.413 -6.173 1.00 0.00 C ATOM 1570 OE1 GLN A 100 23.215 32.499 -5.919 1.00 0.00 O ATOM 1571 NE2 GLN A 100 25.004 31.369 -6.492 1.00 0.00 N ATOM 0 H GLN A 100 22.893 27.454 -5.966 1.00 0.00 H new ATOM 0 HA GLN A 100 20.872 28.697 -7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 100 23.875 29.023 -7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 100 22.649 30.151 -8.287 1.00 0.00 H new ATOM 0 HG2 GLN A 100 21.894 30.326 -5.826 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.344 29.435 -5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 100 25.446 30.475 -6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.552 32.229 -6.523 1.00 0.00 H new ATOM 1580 N GLU A 101 22.958 26.749 -9.215 1.00 0.00 N ATOM 1581 CA GLU A 101 23.105 25.964 -10.445 1.00 0.00 C ATOM 1582 C GLU A 101 21.939 24.975 -10.642 1.00 0.00 C ATOM 1583 O GLU A 101 21.385 24.886 -11.738 1.00 0.00 O ATOM 1584 CB GLU A 101 24.463 25.240 -10.432 1.00 0.00 C ATOM 1585 CG GLU A 101 24.761 24.539 -11.763 1.00 0.00 C ATOM 1586 CD GLU A 101 26.181 23.958 -11.770 1.00 0.00 C ATOM 1587 OE1 GLU A 101 26.368 22.797 -11.332 1.00 0.00 O ATOM 1588 OE2 GLU A 101 27.121 24.656 -12.221 1.00 0.00 O ATOM 0 H GLU A 101 23.718 26.610 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 101 23.075 26.646 -11.295 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.254 25.959 -10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.473 24.505 -9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 101 24.037 23.742 -11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.649 25.247 -12.584 1.00 0.00 H new ATOM 1595 N GLN A 102 21.525 24.256 -9.591 1.00 0.00 N ATOM 1596 CA GLN A 102 20.413 23.307 -9.660 1.00 0.00 C ATOM 1597 C GLN A 102 19.048 23.991 -9.845 1.00 0.00 C ATOM 1598 O GLN A 102 18.204 23.454 -10.555 1.00 0.00 O ATOM 1599 CB GLN A 102 20.407 22.416 -8.407 1.00 0.00 C ATOM 1600 CG GLN A 102 21.559 21.391 -8.386 1.00 0.00 C ATOM 1601 CD GLN A 102 21.391 20.306 -9.453 1.00 0.00 C ATOM 1602 OE1 GLN A 102 21.908 20.394 -10.560 1.00 0.00 O ATOM 1603 NE2 GLN A 102 20.645 19.252 -9.178 1.00 0.00 N ATOM 0 H GLN A 102 21.955 24.318 -8.668 1.00 0.00 H new ATOM 0 HA GLN A 102 20.570 22.693 -10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.474 23.046 -7.520 1.00 0.00 H new ATOM 0 HB3 GLN A 102 19.456 21.886 -8.350 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.505 21.908 -8.543 1.00 0.00 H new ATOM 0 HG3 GLN A 102 21.610 20.925 -7.402 1.00 0.00 H new ATOM 0 HE21 GLN A 102 20.207 19.162 -8.261 1.00 0.00 H new ATOM 0 HE22 GLN A 102 20.507 18.527 -9.882 1.00 0.00 H new ATOM 1612 N VAL A 103 18.815 25.169 -9.254 1.00 0.00 N ATOM 1613 CA VAL A 103 17.586 25.958 -9.459 1.00 0.00 C ATOM 1614 C VAL A 103 17.535 26.520 -10.885 1.00 0.00 C ATOM 1615 O VAL A 103 16.481 26.447 -11.512 1.00 0.00 O ATOM 1616 CB VAL A 103 17.439 27.079 -8.401 1.00 0.00 C ATOM 1617 CG1 VAL A 103 16.349 28.113 -8.748 1.00 0.00 C ATOM 1618 CG2 VAL A 103 17.077 26.467 -7.034 1.00 0.00 C ATOM 0 H VAL A 103 19.477 25.608 -8.614 1.00 0.00 H new ATOM 0 HA VAL A 103 16.736 25.288 -9.329 1.00 0.00 H new ATOM 0 HB VAL A 103 18.401 27.591 -8.377 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.301 28.868 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.590 28.591 -9.698 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.384 27.612 -8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.975 27.262 -6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.135 25.925 -7.116 1.00 0.00 H new ATOM 0 HG23 VAL A 103 17.864 25.781 -6.723 1.00 0.00 H new ATOM 1628 N GLU A 104 18.652 27.017 -11.436 1.00 0.00 N ATOM 1629 CA GLU A 104 18.722 27.391 -12.852 1.00 0.00 C ATOM 1630 C GLU A 104 18.425 26.181 -13.755 1.00 0.00 C ATOM 1631 O GLU A 104 17.585 26.268 -14.656 1.00 0.00 O ATOM 1632 CB GLU A 104 20.095 27.993 -13.193 1.00 0.00 C ATOM 1633 CG GLU A 104 20.217 29.451 -12.731 1.00 0.00 C ATOM 1634 CD GLU A 104 21.547 30.066 -13.197 1.00 0.00 C ATOM 1635 OE1 GLU A 104 21.627 30.516 -14.366 1.00 0.00 O ATOM 1636 OE2 GLU A 104 22.515 30.118 -12.404 1.00 0.00 O ATOM 0 H GLU A 104 19.519 27.169 -10.920 1.00 0.00 H new ATOM 0 HA GLU A 104 17.961 28.149 -13.035 1.00 0.00 H new ATOM 0 HB2 GLU A 104 20.878 27.398 -12.723 1.00 0.00 H new ATOM 0 HB3 GLU A 104 20.256 27.940 -14.270 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.385 30.033 -13.127 1.00 0.00 H new ATOM 0 HG3 GLU A 104 20.151 29.499 -11.644 1.00 0.00 H new ATOM 1643 N LYS A 105 19.025 25.018 -13.468 1.00 0.00 N ATOM 1644 CA LYS A 105 18.737 23.767 -14.172 1.00 0.00 C ATOM 1645 C LYS A 105 17.242 23.392 -14.080 1.00 0.00 C ATOM 1646 O LYS A 105 16.641 23.042 -15.093 1.00 0.00 O ATOM 1647 CB LYS A 105 19.660 22.659 -13.625 1.00 0.00 C ATOM 1648 CG LYS A 105 19.415 21.259 -14.210 1.00 0.00 C ATOM 1649 CD LYS A 105 19.568 21.207 -15.733 1.00 0.00 C ATOM 1650 CE LYS A 105 19.358 19.774 -16.241 1.00 0.00 C ATOM 1651 NZ LYS A 105 19.259 19.729 -17.725 1.00 0.00 N ATOM 0 H LYS A 105 19.728 24.921 -12.735 1.00 0.00 H new ATOM 0 HA LYS A 105 18.943 23.894 -15.235 1.00 0.00 H new ATOM 0 HB2 LYS A 105 20.695 22.941 -13.819 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.541 22.610 -12.543 1.00 0.00 H new ATOM 0 HG2 LYS A 105 20.113 20.555 -13.757 1.00 0.00 H new ATOM 0 HG3 LYS A 105 18.411 20.930 -13.941 1.00 0.00 H new ATOM 0 HD2 LYS A 105 18.845 21.875 -16.201 1.00 0.00 H new ATOM 0 HD3 LYS A 105 20.559 21.559 -16.018 1.00 0.00 H new ATOM 0 HE2 LYS A 105 20.185 19.145 -15.912 1.00 0.00 H new ATOM 0 HE3 LYS A 105 18.450 19.361 -15.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 19.203 18.739 -18.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 18.406 20.239 -18.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 20.099 20.177 -18.143 1.00 0.00 H new ATOM 1665 N ALA A 106 16.618 23.530 -12.909 1.00 0.00 N ATOM 1666 CA ALA A 106 15.189 23.278 -12.710 1.00 0.00 C ATOM 1667 C ALA A 106 14.256 24.265 -13.446 1.00 0.00 C ATOM 1668 O ALA A 106 13.095 23.933 -13.692 1.00 0.00 O ATOM 1669 CB ALA A 106 14.923 23.289 -11.203 1.00 0.00 C ATOM 0 H ALA A 106 17.098 23.825 -12.059 1.00 0.00 H new ATOM 0 HA ALA A 106 14.955 22.309 -13.151 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.865 23.104 -11.019 1.00 0.00 H new ATOM 0 HB2 ALA A 106 15.516 22.511 -10.723 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.198 24.260 -10.792 1.00 0.00 H new ATOM 1675 N MET A 107 14.736 25.466 -13.797 1.00 0.00 N ATOM 1676 CA MET A 107 13.956 26.471 -14.536 1.00 0.00 C ATOM 1677 C MET A 107 14.095 26.338 -16.058 1.00 0.00 C ATOM 1678 O MET A 107 13.109 26.543 -16.770 1.00 0.00 O ATOM 1679 CB MET A 107 14.334 27.886 -14.069 1.00 0.00 C ATOM 1680 CG MET A 107 13.864 28.166 -12.633 1.00 0.00 C ATOM 1681 SD MET A 107 12.068 28.127 -12.380 1.00 0.00 S ATOM 1682 CE MET A 107 12.042 28.336 -10.582 1.00 0.00 C ATOM 0 H MET A 107 15.684 25.771 -13.575 1.00 0.00 H new ATOM 0 HA MET A 107 12.905 26.288 -14.310 1.00 0.00 H new ATOM 0 HB2 MET A 107 15.415 28.009 -14.126 1.00 0.00 H new ATOM 0 HB3 MET A 107 13.893 28.620 -14.744 1.00 0.00 H new ATOM 0 HG2 MET A 107 14.323 27.433 -11.969 1.00 0.00 H new ATOM 0 HG3 MET A 107 14.235 29.146 -12.332 1.00 0.00 H new ATOM 0 HE1 MET A 107 11.010 28.338 -10.231 1.00 0.00 H new ATOM 0 HE2 MET A 107 12.584 27.515 -10.112 1.00 0.00 H new ATOM 0 HE3 MET A 107 12.516 29.281 -10.319 1.00 0.00 H new ATOM 1692 N CYS A 108 15.281 25.987 -16.572 1.00 0.00 N ATOM 1693 CA CYS A 108 15.497 25.755 -18.013 1.00 0.00 C ATOM 1694 C CYS A 108 15.163 24.315 -18.477 1.00 0.00 C ATOM 1695 O CYS A 108 14.826 24.126 -19.650 1.00 0.00 O ATOM 1696 CB CYS A 108 16.925 26.179 -18.395 1.00 0.00 C ATOM 1697 SG CYS A 108 18.176 25.161 -17.568 1.00 0.00 S ATOM 0 H CYS A 108 16.119 25.855 -16.005 1.00 0.00 H new ATOM 0 HA CYS A 108 14.784 26.379 -18.552 1.00 0.00 H new ATOM 0 HB2 CYS A 108 17.050 26.102 -19.475 1.00 0.00 H new ATOM 0 HB3 CYS A 108 17.076 27.226 -18.131 1.00 0.00 H new ATOM 0 HG CYS A 108 18.271 25.517 -16.321 1.00 0.00 H new ATOM 1703 N SER A 109 15.233 23.333 -17.566 1.00 0.00 N ATOM 1704 CA SER A 109 14.859 21.909 -17.725 1.00 0.00 C ATOM 1705 C SER A 109 15.661 21.188 -18.826 1.00 0.00 C ATOM 1706 O SER A 109 15.094 20.820 -19.884 1.00 0.00 O ATOM 1707 CB SER A 109 13.340 21.748 -17.897 1.00 0.00 C ATOM 1708 OG SER A 109 12.656 22.287 -16.778 1.00 0.00 O ATOM 1709 OXT SER A 109 16.873 20.951 -18.600 1.00 0.00 O ATOM 0 H SER A 109 15.578 23.522 -16.625 1.00 0.00 H new ATOM 0 HA SER A 109 15.137 21.407 -16.798 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.015 22.252 -18.807 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.090 20.693 -18.010 1.00 0.00 H new ATOM 0 HG SER A 109 12.979 21.857 -15.959 1.00 0.00 H new TER 1715 SER A 109