USER MOD reduce.3.24.130724 H: found=0, std=0, add=1296, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1286 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 81 THR OG1 : rot 88:sc= 1.25 USER MOD Set 2.1: A 71 GLN : amide:sc= 0.709 K(o=0.23,f=1.9!) USER MOD Set 2.2: B 78 SER OG : rot 112:sc= -0.478 USER MOD Set 3.1: A 74 MET CE :methyl -167:sc=-0.00359 (180deg=-0.0714) USER MOD Set 3.2: B 74 MET CE :methyl 155:sc= -0.0563 (180deg=-0.0776) USER MOD Set 4.1: A 78 SER OG : rot 121:sc= -0.633 USER MOD Set 4.2: B 71 GLN : amide:sc= 0.701 K(o=0.069,f=1.7!) USER MOD Set 5.1: B 17 TYR OH : rot 57:sc= 0.786 USER MOD Set 5.2: B 38 ASN : amide:sc=-0.00346 K(o=0.78,f=-0.79) USER MOD Set 6.1: B 28 LYS NZ :NH3+ 153:sc= -0.134 (180deg=-0.91) USER MOD Set 6.2: B 29 LYS NZ :NH3+ -160:sc= 0 (180deg=0) USER MOD Set 7.1: A 81 THR OG1 : rot 100:sc= 1.27 USER MOD Set 7.2: B 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 8.1: A 28 LYS NZ :NH3+ 149:sc= -0.179 (180deg=-0.959) USER MOD Set 8.2: A 29 LYS NZ :NH3+ -156:sc= 0 (180deg=0) USER MOD Set 9.1: A 17 TYR OH : rot 56:sc= 0.803 USER MOD Set 9.2: A 38 ASN : amide:sc= 0.026 K(o=0.83,f=-0.74) USER MOD Single : A 1 SER N :NH3+ -143:sc= 0.319 (180deg=0.031) USER MOD Single : A 1 SER OG : rot -113:sc= 0.299 USER MOD Single : A 5 LYS NZ :NH3+ 172:sc= 0.126 (180deg=0.0888) USER MOD Single : A 15 HIS : no HD1:sc= -0.192 K(o=-0.19,f=-0.99) USER MOD Single : A 16 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.21) USER MOD Single : A 18 SER OG : rot -68:sc= 0.429 USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.259) USER MOD Single : A 25 HIS : no HD1:sc= -0.57 K(o=-0.57,f=-1.9) USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.0453 (180deg=-0.443) USER MOD Single : A 30 SER OG : rot 180:sc= -0.153 USER MOD Single : A 33 LYS NZ :NH3+ -133:sc= -1.77 (180deg=-4.03!) USER MOD Single : A 37 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.61) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.331 K(o=-0.33,f=-0.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 124:sc= 0.0693 USER MOD Single : A 68 CYS SG : rot -66:sc= 0.0308 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -86:sc= 1.08 USER MOD Single : B 1 SER N :NH3+ -144:sc= 0.317 (180deg=0.0295) USER MOD Single : B 1 SER OG : rot -112:sc= 0.301 USER MOD Single : B 5 LYS NZ :NH3+ 177:sc= 0.114 (180deg=0.108) USER MOD Single : B 15 HIS : no HD1:sc= -0.222 K(o=-0.22,f=-0.9) USER MOD Single : B 16 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.22) USER MOD Single : B 18 SER OG : rot -68:sc= 0.421 USER MOD Single : B 24 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.225) USER MOD Single : B 25 HIS : no HD1:sc= -0.633 K(o=-0.63,f=-1.9) USER MOD Single : B 26 LYS NZ :NH3+ -161:sc= -0.059 (180deg=-0.457) USER MOD Single : B 30 SER OG : rot 180:sc= -0.149 USER MOD Single : B 33 LYS NZ :NH3+ -134:sc= -1.8 (180deg=-4.02!) USER MOD Single : B 37 ASN : amide:sc= -2.09! K(o=-2.1!,f=-0.61) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-0.92) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 59 THR OG1 : rot 128:sc= 0.062 USER MOD Single : B 68 CYS SG : rot -66:sc= -0.0926 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 82 THR OG1 : rot -88:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 1 -10.519 4.403 12.741 1.00 0.00 N ATOM 21 CA SER A 1 -10.580 2.915 12.786 1.00 0.00 C ATOM 22 C SER A 1 -9.164 2.355 12.936 1.00 0.00 C ATOM 23 O SER A 1 -8.190 3.073 12.828 1.00 0.00 O ATOM 24 CB SER A 1 -11.202 2.389 11.492 1.00 0.00 C ATOM 25 OG SER A 1 -10.260 2.512 10.435 1.00 0.00 O ATOM 0 H1 SER A 1 -11.338 4.799 13.245 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.642 4.728 13.196 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.534 4.721 11.751 1.00 0.00 H new ATOM 0 HA SER A 1 -11.189 2.601 13.633 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.496 1.346 11.614 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.107 2.949 11.256 1.00 0.00 H new ATOM 0 HG SER A 1 -10.582 3.171 9.785 1.00 0.00 H new ATOM 31 N GLU A 2 -9.040 1.080 13.185 1.00 0.00 N ATOM 32 CA GLU A 2 -7.683 0.486 13.341 1.00 0.00 C ATOM 33 C GLU A 2 -6.863 0.751 12.077 1.00 0.00 C ATOM 34 O GLU A 2 -5.662 0.918 12.127 1.00 0.00 O ATOM 35 CB GLU A 2 -7.808 -1.024 13.560 1.00 0.00 C ATOM 36 CG GLU A 2 -8.665 -1.294 14.799 1.00 0.00 C ATOM 37 CD GLU A 2 -7.877 -0.925 16.056 1.00 0.00 C ATOM 38 OE1 GLU A 2 -6.761 -1.399 16.192 1.00 0.00 O ATOM 39 OE2 GLU A 2 -8.402 -0.176 16.863 1.00 0.00 O ATOM 0 H GLU A 2 -9.817 0.427 13.287 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.185 0.937 14.199 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.258 -1.493 12.685 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.820 -1.466 13.685 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.586 -0.713 14.751 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.953 -2.345 14.833 1.00 0.00 H new ATOM 46 N LEU A 3 -7.504 0.776 10.942 1.00 0.00 N ATOM 47 CA LEU A 3 -6.763 1.015 9.672 1.00 0.00 C ATOM 48 C LEU A 3 -6.135 2.416 9.692 1.00 0.00 C ATOM 49 O LEU A 3 -4.963 2.580 9.418 1.00 0.00 O ATOM 50 CB LEU A 3 -7.737 0.884 8.485 1.00 0.00 C ATOM 51 CG LEU A 3 -6.992 0.396 7.235 1.00 0.00 C ATOM 52 CD1 LEU A 3 -7.953 0.385 6.043 1.00 0.00 C ATOM 53 CD2 LEU A 3 -5.814 1.331 6.936 1.00 0.00 C ATOM 0 H LEU A 3 -8.510 0.641 10.839 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.967 0.278 9.567 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.535 0.186 8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.207 1.847 8.284 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.615 -0.612 7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.426 0.039 5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.787 -0.284 6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.331 1.393 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.288 0.981 6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.186 2.341 6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.130 1.337 7.784 1.00 0.00 H new ATOM 65 N GLU A 4 -6.897 3.429 10.011 1.00 0.00 N ATOM 66 CA GLU A 4 -6.319 4.803 10.037 1.00 0.00 C ATOM 67 C GLU A 4 -5.067 4.803 10.919 1.00 0.00 C ATOM 68 O GLU A 4 -4.023 5.299 10.545 1.00 0.00 O ATOM 69 CB GLU A 4 -7.352 5.788 10.603 1.00 0.00 C ATOM 70 CG GLU A 4 -8.373 6.151 9.519 1.00 0.00 C ATOM 71 CD GLU A 4 -9.173 4.908 9.129 1.00 0.00 C ATOM 72 OE1 GLU A 4 -8.681 4.143 8.316 1.00 0.00 O ATOM 73 OE2 GLU A 4 -10.265 4.744 9.647 1.00 0.00 O ATOM 0 H GLU A 4 -7.886 3.365 10.253 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.054 5.109 9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.860 5.344 11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.852 6.688 10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.045 6.928 9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.862 6.556 8.645 1.00 0.00 H new ATOM 80 N LYS A 5 -5.176 4.237 12.090 1.00 0.00 N ATOM 81 CA LYS A 5 -4.012 4.178 13.017 1.00 0.00 C ATOM 82 C LYS A 5 -2.786 3.646 12.273 1.00 0.00 C ATOM 83 O LYS A 5 -1.687 4.143 12.418 1.00 0.00 O ATOM 84 CB LYS A 5 -4.343 3.220 14.166 1.00 0.00 C ATOM 85 CG LYS A 5 -5.471 3.809 15.017 1.00 0.00 C ATOM 86 CD LYS A 5 -5.610 3.001 16.309 1.00 0.00 C ATOM 87 CE LYS A 5 -6.876 3.436 17.052 1.00 0.00 C ATOM 88 NZ LYS A 5 -8.072 2.872 16.365 1.00 0.00 N ATOM 0 H LYS A 5 -6.030 3.809 12.447 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.802 5.176 13.401 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.642 2.250 13.769 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.458 3.054 14.781 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.259 4.853 15.249 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.408 3.790 14.461 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.658 1.936 16.081 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.735 3.153 16.941 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.841 3.092 18.086 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.939 4.524 17.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.920 3.051 16.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.183 3.324 15.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.949 1.847 16.239 1.00 0.00 H new ATOM 102 N ALA A 6 -2.980 2.626 11.481 1.00 0.00 N ATOM 103 CA ALA A 6 -1.850 2.024 10.718 1.00 0.00 C ATOM 104 C ALA A 6 -1.513 2.881 9.492 1.00 0.00 C ATOM 105 O ALA A 6 -0.372 2.950 9.079 1.00 0.00 O ATOM 106 CB ALA A 6 -2.243 0.607 10.278 1.00 0.00 C ATOM 0 H ALA A 6 -3.884 2.179 11.329 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.967 1.980 11.356 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.422 0.159 9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.458 -0.001 11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.129 0.655 9.645 1.00 0.00 H new ATOM 112 N MET A 7 -2.470 3.547 8.912 1.00 0.00 N ATOM 113 CA MET A 7 -2.144 4.397 7.733 1.00 0.00 C ATOM 114 C MET A 7 -1.169 5.486 8.194 1.00 0.00 C ATOM 115 O MET A 7 -0.141 5.729 7.583 1.00 0.00 O ATOM 116 CB MET A 7 -3.436 5.029 7.179 1.00 0.00 C ATOM 117 CG MET A 7 -3.288 5.304 5.676 1.00 0.00 C ATOM 118 SD MET A 7 -3.601 3.773 4.754 1.00 0.00 S ATOM 119 CE MET A 7 -2.240 3.910 3.567 1.00 0.00 C ATOM 0 H MET A 7 -3.449 3.542 9.197 1.00 0.00 H new ATOM 0 HA MET A 7 -1.689 3.803 6.941 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.280 4.361 7.353 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.651 5.958 7.707 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.989 6.079 5.365 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.286 5.675 5.459 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.254 3.051 2.896 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.354 4.826 2.987 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.291 3.936 4.103 1.00 0.00 H new ATOM 129 N VAL A 8 -1.481 6.127 9.285 1.00 0.00 N ATOM 130 CA VAL A 8 -0.586 7.188 9.819 1.00 0.00 C ATOM 131 C VAL A 8 0.705 6.544 10.331 1.00 0.00 C ATOM 132 O VAL A 8 1.782 7.086 10.179 1.00 0.00 O ATOM 133 CB VAL A 8 -1.295 7.911 10.965 1.00 0.00 C ATOM 134 CG1 VAL A 8 -0.459 9.114 11.405 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.669 8.391 10.485 1.00 0.00 C ATOM 0 H VAL A 8 -2.325 5.959 9.833 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.345 7.905 9.034 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.418 7.230 11.807 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.965 9.629 12.222 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.520 8.773 11.742 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.336 9.798 10.565 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.179 8.907 11.299 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.543 9.074 9.645 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.264 7.534 10.170 1.00 0.00 H new ATOM 145 N ALA A 9 0.607 5.384 10.924 1.00 0.00 N ATOM 146 CA ALA A 9 1.831 4.701 11.429 1.00 0.00 C ATOM 147 C ALA A 9 2.803 4.512 10.264 1.00 0.00 C ATOM 148 O ALA A 9 3.975 4.805 10.365 1.00 0.00 O ATOM 149 CB ALA A 9 1.449 3.333 12.003 1.00 0.00 C ATOM 0 H ALA A 9 -0.267 4.881 11.080 1.00 0.00 H new ATOM 0 HA ALA A 9 2.299 5.301 12.210 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.343 2.831 12.373 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.742 3.467 12.822 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.989 2.726 11.223 1.00 0.00 H new ATOM 155 N LEU A 10 2.324 4.015 9.160 1.00 0.00 N ATOM 156 CA LEU A 10 3.223 3.799 7.989 1.00 0.00 C ATOM 157 C LEU A 10 4.062 5.059 7.771 1.00 0.00 C ATOM 158 O LEU A 10 5.264 5.002 7.609 1.00 0.00 O ATOM 159 CB LEU A 10 2.356 3.539 6.738 1.00 0.00 C ATOM 160 CG LEU A 10 1.996 2.039 6.636 1.00 0.00 C ATOM 161 CD1 LEU A 10 0.726 1.866 5.795 1.00 0.00 C ATOM 162 CD2 LEU A 10 3.143 1.259 5.971 1.00 0.00 C ATOM 0 H LEU A 10 1.350 3.748 9.015 1.00 0.00 H new ATOM 0 HA LEU A 10 3.878 2.947 8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.445 4.136 6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.894 3.852 5.843 1.00 0.00 H new ATOM 0 HG LEU A 10 1.831 1.654 7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.477 0.807 5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.098 2.403 6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.895 2.265 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.876 0.204 5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.317 1.652 4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.050 1.367 6.566 1.00 0.00 H new ATOM 174 N ILE A 11 3.426 6.200 7.784 1.00 0.00 N ATOM 175 CA ILE A 11 4.181 7.468 7.597 1.00 0.00 C ATOM 176 C ILE A 11 5.202 7.591 8.729 1.00 0.00 C ATOM 177 O ILE A 11 6.344 7.952 8.523 1.00 0.00 O ATOM 178 CB ILE A 11 3.213 8.652 7.651 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.062 8.415 6.669 1.00 0.00 C ATOM 180 CG2 ILE A 11 3.951 9.936 7.269 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.036 9.542 6.803 1.00 0.00 C ATOM 0 H ILE A 11 2.420 6.307 7.916 1.00 0.00 H new ATOM 0 HA ILE A 11 4.687 7.466 6.632 1.00 0.00 H new ATOM 0 HB ILE A 11 2.816 8.749 8.662 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.443 8.375 5.649 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.590 7.453 6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.260 10.778 7.308 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.770 10.106 7.967 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.349 9.840 6.259 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.217 9.373 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.647 9.560 7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.513 10.496 6.580 1.00 0.00 H new ATOM 193 N ASP A 12 4.782 7.286 9.927 1.00 0.00 N ATOM 194 CA ASP A 12 5.693 7.369 11.101 1.00 0.00 C ATOM 195 C ASP A 12 7.010 6.659 10.793 1.00 0.00 C ATOM 196 O ASP A 12 8.083 7.188 11.007 1.00 0.00 O ATOM 197 CB ASP A 12 5.023 6.665 12.294 1.00 0.00 C ATOM 198 CG ASP A 12 5.675 7.126 13.602 1.00 0.00 C ATOM 199 OD1 ASP A 12 5.654 8.318 13.863 1.00 0.00 O ATOM 200 OD2 ASP A 12 6.183 6.279 14.318 1.00 0.00 O ATOM 0 H ASP A 12 3.834 6.979 10.143 1.00 0.00 H new ATOM 0 HA ASP A 12 5.891 8.416 11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.957 6.891 12.309 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.118 5.584 12.191 1.00 0.00 H new ATOM 205 N VAL A 13 6.928 5.445 10.315 1.00 0.00 N ATOM 206 CA VAL A 13 8.168 4.672 10.017 1.00 0.00 C ATOM 207 C VAL A 13 8.817 5.151 8.715 1.00 0.00 C ATOM 208 O VAL A 13 10.026 5.136 8.592 1.00 0.00 O ATOM 209 CB VAL A 13 7.836 3.180 9.930 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.072 2.402 9.474 1.00 0.00 C ATOM 211 CG2 VAL A 13 7.398 2.678 11.307 1.00 0.00 C ATOM 0 H VAL A 13 6.055 4.956 10.118 1.00 0.00 H new ATOM 0 HA VAL A 13 8.881 4.836 10.825 1.00 0.00 H new ATOM 0 HB VAL A 13 7.031 3.030 9.211 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.832 1.341 9.413 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.386 2.760 8.493 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.880 2.551 10.190 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.161 1.616 11.248 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.205 2.831 12.024 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.516 3.229 11.632 1.00 0.00 H new ATOM 221 N PHE A 14 8.063 5.566 7.738 1.00 0.00 N ATOM 222 CA PHE A 14 8.724 6.017 6.481 1.00 0.00 C ATOM 223 C PHE A 14 9.623 7.214 6.796 1.00 0.00 C ATOM 224 O PHE A 14 10.673 7.394 6.209 1.00 0.00 O ATOM 225 CB PHE A 14 7.680 6.420 5.437 1.00 0.00 C ATOM 226 CG PHE A 14 8.375 6.692 4.121 1.00 0.00 C ATOM 227 CD1 PHE A 14 8.589 5.647 3.214 1.00 0.00 C ATOM 228 CD2 PHE A 14 8.811 7.987 3.810 1.00 0.00 C ATOM 229 CE1 PHE A 14 9.236 5.896 1.997 1.00 0.00 C ATOM 230 CE2 PHE A 14 9.459 8.236 2.592 1.00 0.00 C ATOM 231 CZ PHE A 14 9.671 7.191 1.685 1.00 0.00 C ATOM 0 H PHE A 14 7.044 5.613 7.750 1.00 0.00 H new ATOM 0 HA PHE A 14 9.317 5.197 6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.943 5.626 5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.141 7.308 5.768 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.255 4.648 3.453 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.648 8.794 4.509 1.00 0.00 H new ATOM 0 HE1 PHE A 14 9.400 5.089 1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.795 9.234 2.353 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.169 7.383 0.746 1.00 0.00 H new ATOM 241 N HIS A 15 9.210 8.038 7.723 1.00 0.00 N ATOM 242 CA HIS A 15 10.022 9.233 8.086 1.00 0.00 C ATOM 243 C HIS A 15 11.145 8.833 9.046 1.00 0.00 C ATOM 244 O HIS A 15 12.211 9.417 9.049 1.00 0.00 O ATOM 245 CB HIS A 15 9.122 10.271 8.761 1.00 0.00 C ATOM 246 CG HIS A 15 9.859 11.577 8.873 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.780 11.823 9.880 1.00 0.00 N ATOM 248 CD2 HIS A 15 9.821 12.720 8.113 1.00 0.00 C ATOM 249 CE1 HIS A 15 11.254 13.069 9.701 1.00 0.00 C ATOM 250 NE2 HIS A 15 10.702 13.661 8.638 1.00 0.00 N ATOM 0 H HIS A 15 8.341 7.933 8.246 1.00 0.00 H new ATOM 0 HA HIS A 15 10.460 9.656 7.182 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.208 10.406 8.183 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.826 9.923 9.750 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.202 12.867 7.240 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.991 13.534 10.339 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.887 14.601 8.287 1.00 0.00 H new ATOM 258 N GLN A 16 10.904 7.854 9.878 1.00 0.00 N ATOM 259 CA GLN A 16 11.946 7.430 10.857 1.00 0.00 C ATOM 260 C GLN A 16 13.248 7.112 10.122 1.00 0.00 C ATOM 261 O GLN A 16 14.315 7.525 10.530 1.00 0.00 O ATOM 262 CB GLN A 16 11.459 6.189 11.616 1.00 0.00 C ATOM 263 CG GLN A 16 12.474 5.799 12.698 1.00 0.00 C ATOM 264 CD GLN A 16 12.577 6.915 13.739 1.00 0.00 C ATOM 265 OE1 GLN A 16 11.801 6.965 14.672 1.00 0.00 O ATOM 266 NE2 GLN A 16 13.511 7.819 13.618 1.00 0.00 N ATOM 0 H GLN A 16 10.030 7.330 9.921 1.00 0.00 H new ATOM 0 HA GLN A 16 12.127 8.238 11.566 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.489 6.389 12.072 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.320 5.360 10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.169 4.869 13.178 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.450 5.619 12.246 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.163 7.777 12.835 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.589 8.567 14.307 1.00 0.00 H new ATOM 275 N TYR A 17 13.178 6.380 9.044 1.00 0.00 N ATOM 276 CA TYR A 17 14.419 6.042 8.296 1.00 0.00 C ATOM 277 C TYR A 17 14.939 7.294 7.592 1.00 0.00 C ATOM 278 O TYR A 17 16.110 7.614 7.659 1.00 0.00 O ATOM 279 CB TYR A 17 14.110 4.957 7.255 1.00 0.00 C ATOM 280 CG TYR A 17 14.016 3.607 7.936 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.003 3.367 8.872 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.940 2.598 7.632 1.00 0.00 C ATOM 283 CE1 TYR A 17 12.914 2.121 9.504 1.00 0.00 C ATOM 284 CE2 TYR A 17 14.850 1.352 8.265 1.00 0.00 C ATOM 285 CZ TYR A 17 13.837 1.114 9.201 1.00 0.00 C ATOM 286 OH TYR A 17 13.749 -0.114 9.824 1.00 0.00 O ATOM 0 H TYR A 17 12.316 6.003 8.650 1.00 0.00 H new ATOM 0 HA TYR A 17 15.175 5.672 8.988 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.173 5.184 6.746 1.00 0.00 H new ATOM 0 HB3 TYR A 17 14.890 4.937 6.494 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.290 4.143 9.107 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.722 2.781 6.910 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.132 1.937 10.226 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.562 0.575 8.031 1.00 0.00 H new ATOM 0 HH TYR A 17 12.858 -0.493 9.675 1.00 0.00 H new ATOM 296 N SER A 18 14.077 8.004 6.911 1.00 0.00 N ATOM 297 CA SER A 18 14.512 9.239 6.191 1.00 0.00 C ATOM 298 C SER A 18 14.152 10.479 7.012 1.00 0.00 C ATOM 299 O SER A 18 13.412 11.330 6.559 1.00 0.00 O ATOM 300 CB SER A 18 13.803 9.306 4.838 1.00 0.00 C ATOM 301 OG SER A 18 12.398 9.246 5.042 1.00 0.00 O ATOM 0 H SER A 18 13.086 7.781 6.822 1.00 0.00 H new ATOM 0 HA SER A 18 15.592 9.209 6.045 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.068 10.228 4.321 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.126 8.480 4.204 1.00 0.00 H new ATOM 0 HG SER A 18 12.152 8.355 5.367 1.00 0.00 H new ATOM 307 N GLY A 19 14.684 10.605 8.208 1.00 0.00 N ATOM 308 CA GLY A 19 14.395 11.808 9.059 1.00 0.00 C ATOM 309 C GLY A 19 15.723 12.501 9.371 1.00 0.00 C ATOM 310 O GLY A 19 15.757 13.632 9.814 1.00 0.00 O ATOM 0 H GLY A 19 15.310 9.921 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.723 12.490 8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.895 11.511 9.981 1.00 0.00 H new ATOM 314 N ARG A 20 16.817 11.839 9.111 1.00 0.00 N ATOM 315 CA ARG A 20 18.150 12.460 9.353 1.00 0.00 C ATOM 316 C ARG A 20 18.332 13.636 8.396 1.00 0.00 C ATOM 317 O ARG A 20 18.989 14.602 8.730 1.00 0.00 O ATOM 318 CB ARG A 20 19.261 11.428 9.139 1.00 0.00 C ATOM 319 CG ARG A 20 19.336 10.499 10.352 1.00 0.00 C ATOM 320 CD ARG A 20 20.323 9.364 10.068 1.00 0.00 C ATOM 321 NE ARG A 20 21.488 9.897 9.305 1.00 0.00 N ATOM 322 CZ ARG A 20 22.304 9.076 8.703 1.00 0.00 C ATOM 323 NH1 ARG A 20 21.859 7.945 8.226 1.00 0.00 N ATOM 324 NH2 ARG A 20 23.566 9.385 8.578 1.00 0.00 N ATOM 0 H ARG A 20 16.845 10.890 8.739 1.00 0.00 H new ATOM 0 HA ARG A 20 18.205 12.815 10.382 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.065 10.849 8.236 1.00 0.00 H new ATOM 0 HB3 ARG A 20 20.217 11.932 8.994 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.653 11.058 11.232 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.350 10.091 10.572 1.00 0.00 H new ATOM 0 HD2 ARG A 20 20.661 8.919 11.004 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.832 8.575 9.498 1.00 0.00 H new ATOM 0 HE ARG A 20 21.647 10.903 9.254 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.873 7.703 8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.497 7.304 7.755 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.914 10.268 8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 20 24.204 8.743 8.107 1.00 0.00 H new ATOM 338 N GLU A 21 17.738 13.605 7.231 1.00 0.00 N ATOM 339 CA GLU A 21 17.877 14.778 6.312 1.00 0.00 C ATOM 340 C GLU A 21 16.600 14.934 5.487 1.00 0.00 C ATOM 341 O GLU A 21 16.075 16.021 5.352 1.00 0.00 O ATOM 342 CB GLU A 21 19.079 14.578 5.384 1.00 0.00 C ATOM 343 CG GLU A 21 18.923 13.264 4.614 1.00 0.00 C ATOM 344 CD GLU A 21 20.257 12.892 3.962 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.285 13.190 4.548 1.00 0.00 O ATOM 346 OE2 GLU A 21 20.228 12.314 2.888 1.00 0.00 O ATOM 0 H GLU A 21 17.172 12.833 6.879 1.00 0.00 H new ATOM 0 HA GLU A 21 18.037 15.680 6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.155 15.412 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.001 14.563 5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.602 12.471 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.150 13.366 3.852 1.00 0.00 H new ATOM 353 N GLY A 22 16.086 13.861 4.945 1.00 0.00 N ATOM 354 CA GLY A 22 14.834 13.954 4.136 1.00 0.00 C ATOM 355 C GLY A 22 14.914 15.157 3.195 1.00 0.00 C ATOM 356 O GLY A 22 13.913 15.620 2.684 1.00 0.00 O ATOM 0 H GLY A 22 16.479 12.923 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.693 13.039 3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.971 14.052 4.794 1.00 0.00 H new ATOM 360 N ASP A 23 16.094 15.669 2.957 1.00 0.00 N ATOM 361 CA ASP A 23 16.221 16.840 2.040 1.00 0.00 C ATOM 362 C ASP A 23 15.425 16.543 0.769 1.00 0.00 C ATOM 363 O ASP A 23 14.551 17.292 0.381 1.00 0.00 O ATOM 364 CB ASP A 23 17.694 17.060 1.686 1.00 0.00 C ATOM 365 CG ASP A 23 18.478 17.406 2.953 1.00 0.00 C ATOM 366 OD1 ASP A 23 17.848 17.732 3.945 1.00 0.00 O ATOM 367 OD2 ASP A 23 19.696 17.339 2.908 1.00 0.00 O ATOM 0 H ASP A 23 16.970 15.329 3.355 1.00 0.00 H new ATOM 0 HA ASP A 23 15.837 17.739 2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.106 16.162 1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.787 17.865 0.957 1.00 0.00 H new ATOM 372 N LYS A 24 15.698 15.432 0.139 1.00 0.00 N ATOM 373 CA LYS A 24 14.934 15.055 -1.083 1.00 0.00 C ATOM 374 C LYS A 24 13.730 14.213 -0.648 1.00 0.00 C ATOM 375 O LYS A 24 13.541 13.944 0.521 1.00 0.00 O ATOM 376 CB LYS A 24 15.827 14.234 -2.016 1.00 0.00 C ATOM 377 CG LYS A 24 17.189 14.920 -2.162 1.00 0.00 C ATOM 378 CD LYS A 24 16.991 16.375 -2.605 1.00 0.00 C ATOM 379 CE LYS A 24 18.307 16.928 -3.158 1.00 0.00 C ATOM 380 NZ LYS A 24 19.375 16.797 -2.127 1.00 0.00 N ATOM 0 H LYS A 24 16.420 14.768 0.420 1.00 0.00 H new ATOM 0 HA LYS A 24 14.601 15.947 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.957 13.227 -1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.353 14.133 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.726 14.888 -1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.799 14.387 -2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.213 16.431 -3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.656 16.980 -1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.590 16.387 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 24 18.185 17.974 -3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.188 17.389 -2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.007 17.107 -1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.676 15.804 -2.063 1.00 0.00 H new ATOM 394 N HIS A 25 12.928 13.780 -1.585 1.00 0.00 N ATOM 395 CA HIS A 25 11.740 12.931 -1.250 1.00 0.00 C ATOM 396 C HIS A 25 11.725 11.741 -2.208 1.00 0.00 C ATOM 397 O HIS A 25 10.702 11.386 -2.760 1.00 0.00 O ATOM 398 CB HIS A 25 10.460 13.751 -1.424 1.00 0.00 C ATOM 399 CG HIS A 25 10.365 14.768 -0.320 1.00 0.00 C ATOM 400 ND1 HIS A 25 10.885 14.537 0.944 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.814 16.025 -0.274 1.00 0.00 C ATOM 402 CE1 HIS A 25 10.638 15.629 1.690 1.00 0.00 C ATOM 403 NE2 HIS A 25 9.987 16.566 0.996 1.00 0.00 N ATOM 0 H HIS A 25 13.044 13.979 -2.579 1.00 0.00 H new ATOM 0 HA HIS A 25 11.797 12.585 -0.218 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.463 14.249 -2.393 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.589 13.095 -1.405 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.321 16.519 -1.099 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.931 15.735 2.724 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.682 17.482 1.326 1.00 0.00 H new ATOM 411 N LYS A 26 12.861 11.120 -2.403 1.00 0.00 N ATOM 412 CA LYS A 26 12.942 9.942 -3.318 1.00 0.00 C ATOM 413 C LYS A 26 13.814 8.858 -2.677 1.00 0.00 C ATOM 414 O LYS A 26 14.725 9.153 -1.928 1.00 0.00 O ATOM 415 CB LYS A 26 13.566 10.380 -4.646 1.00 0.00 C ATOM 416 CG LYS A 26 12.914 11.687 -5.109 1.00 0.00 C ATOM 417 CD LYS A 26 13.219 11.918 -6.591 1.00 0.00 C ATOM 418 CE LYS A 26 12.523 13.197 -7.062 1.00 0.00 C ATOM 419 NZ LYS A 26 11.046 12.999 -7.034 1.00 0.00 N ATOM 0 H LYS A 26 13.743 11.382 -1.963 1.00 0.00 H new ATOM 0 HA LYS A 26 11.943 9.545 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.641 10.519 -4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.426 9.605 -5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.836 11.643 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.288 12.522 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.295 12.000 -6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.877 11.067 -7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.801 14.032 -6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.848 13.450 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.591 13.690 -7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.819 12.036 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.696 13.132 -6.064 1.00 0.00 H new ATOM 433 N LEU A 27 13.551 7.607 -2.971 1.00 0.00 N ATOM 434 CA LEU A 27 14.370 6.490 -2.390 1.00 0.00 C ATOM 435 C LEU A 27 15.055 5.733 -3.529 1.00 0.00 C ATOM 436 O LEU A 27 14.489 5.538 -4.585 1.00 0.00 O ATOM 437 CB LEU A 27 13.451 5.528 -1.618 1.00 0.00 C ATOM 438 CG LEU A 27 13.193 6.057 -0.195 1.00 0.00 C ATOM 439 CD1 LEU A 27 11.987 5.325 0.398 1.00 0.00 C ATOM 440 CD2 LEU A 27 14.424 5.824 0.706 1.00 0.00 C ATOM 0 H LEU A 27 12.800 7.308 -3.592 1.00 0.00 H new ATOM 0 HA LEU A 27 15.120 6.896 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.505 5.415 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.908 4.540 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 27 12.998 7.128 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.797 5.694 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.111 5.504 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.193 4.255 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.220 6.205 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.638 4.757 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 27 15.285 6.345 0.288 1.00 0.00 H new ATOM 452 N LYS A 28 16.274 5.303 -3.326 1.00 0.00 N ATOM 453 CA LYS A 28 16.994 4.557 -4.400 1.00 0.00 C ATOM 454 C LYS A 28 16.779 3.055 -4.201 1.00 0.00 C ATOM 455 O LYS A 28 16.626 2.584 -3.092 1.00 0.00 O ATOM 456 CB LYS A 28 18.491 4.875 -4.326 1.00 0.00 C ATOM 457 CG LYS A 28 18.731 6.327 -4.759 1.00 0.00 C ATOM 458 CD LYS A 28 20.104 6.795 -4.266 1.00 0.00 C ATOM 459 CE LYS A 28 21.197 5.904 -4.860 1.00 0.00 C ATOM 460 NZ LYS A 28 20.965 5.739 -6.323 1.00 0.00 N ATOM 0 H LYS A 28 16.801 5.436 -2.463 1.00 0.00 H new ATOM 0 HA LYS A 28 16.609 4.855 -5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.856 4.723 -3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.050 4.196 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.678 6.406 -5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.950 6.971 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.270 7.833 -4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 28 20.142 6.757 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.177 6.347 -4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.194 4.931 -4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.877 5.622 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 20.375 4.899 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.480 6.581 -6.695 1.00 0.00 H new ATOM 474 N LYS A 29 16.772 2.296 -5.262 1.00 0.00 N ATOM 475 CA LYS A 29 16.573 0.827 -5.122 1.00 0.00 C ATOM 476 C LYS A 29 17.610 0.254 -4.149 1.00 0.00 C ATOM 477 O LYS A 29 17.321 -0.630 -3.366 1.00 0.00 O ATOM 478 CB LYS A 29 16.702 0.152 -6.504 1.00 0.00 C ATOM 479 CG LYS A 29 18.131 0.263 -7.073 1.00 0.00 C ATOM 480 CD LYS A 29 18.485 1.732 -7.359 1.00 0.00 C ATOM 481 CE LYS A 29 19.602 1.801 -8.406 1.00 0.00 C ATOM 482 NZ LYS A 29 19.914 3.227 -8.707 1.00 0.00 N ATOM 0 H LYS A 29 16.895 2.629 -6.218 1.00 0.00 H new ATOM 0 HA LYS A 29 15.576 0.631 -4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.426 -0.899 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.999 0.612 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.844 -0.158 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.210 -0.321 -7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.604 2.265 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.804 2.225 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.493 1.293 -8.037 1.00 0.00 H new ATOM 0 HE3 LYS A 29 19.295 1.285 -9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.340 3.297 -9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.038 3.787 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.582 3.593 -7.999 1.00 0.00 H new ATOM 496 N SER A 30 18.818 0.741 -4.203 1.00 0.00 N ATOM 497 CA SER A 30 19.883 0.223 -3.300 1.00 0.00 C ATOM 498 C SER A 30 19.513 0.471 -1.835 1.00 0.00 C ATOM 499 O SER A 30 19.643 -0.401 -0.990 1.00 0.00 O ATOM 500 CB SER A 30 21.197 0.939 -3.612 1.00 0.00 C ATOM 501 OG SER A 30 21.057 2.324 -3.325 1.00 0.00 O ATOM 0 H SER A 30 19.115 1.481 -4.839 1.00 0.00 H new ATOM 0 HA SER A 30 19.990 -0.850 -3.460 1.00 0.00 H new ATOM 0 HB2 SER A 30 22.006 0.513 -3.019 1.00 0.00 H new ATOM 0 HB3 SER A 30 21.461 0.798 -4.660 1.00 0.00 H new ATOM 0 HG SER A 30 21.899 2.786 -3.522 1.00 0.00 H new ATOM 507 N GLU A 31 19.046 1.652 -1.517 1.00 0.00 N ATOM 508 CA GLU A 31 18.682 1.931 -0.097 1.00 0.00 C ATOM 509 C GLU A 31 17.303 1.340 0.179 1.00 0.00 C ATOM 510 O GLU A 31 17.038 0.816 1.242 1.00 0.00 O ATOM 511 CB GLU A 31 18.674 3.439 0.165 1.00 0.00 C ATOM 512 CG GLU A 31 20.055 4.019 -0.146 1.00 0.00 C ATOM 513 CD GLU A 31 21.036 3.627 0.960 1.00 0.00 C ATOM 514 OE1 GLU A 31 20.956 4.208 2.030 1.00 0.00 O ATOM 515 OE2 GLU A 31 21.850 2.751 0.720 1.00 0.00 O ATOM 0 H GLU A 31 18.903 2.424 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 31 19.418 1.476 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.917 3.922 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 31 18.410 3.637 1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 31 20.408 3.648 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.995 5.104 -0.225 1.00 0.00 H new ATOM 522 N LEU A 32 16.426 1.403 -0.787 1.00 0.00 N ATOM 523 CA LEU A 32 15.071 0.825 -0.595 1.00 0.00 C ATOM 524 C LEU A 32 15.227 -0.664 -0.296 1.00 0.00 C ATOM 525 O LEU A 32 14.572 -1.194 0.576 1.00 0.00 O ATOM 526 CB LEU A 32 14.233 1.029 -1.862 1.00 0.00 C ATOM 527 CG LEU A 32 12.752 0.718 -1.579 1.00 0.00 C ATOM 528 CD1 LEU A 32 12.075 1.908 -0.883 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.031 0.437 -2.903 1.00 0.00 C ATOM 0 H LEU A 32 16.592 1.830 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 32 14.562 1.319 0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.335 2.056 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.602 0.382 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 32 12.696 -0.153 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.029 1.670 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.580 2.113 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.135 2.787 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.982 0.216 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.103 1.312 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.495 -0.417 -3.396 1.00 0.00 H new ATOM 541 N LYS A 33 16.080 -1.355 -1.002 1.00 0.00 N ATOM 542 CA LYS A 33 16.240 -2.807 -0.727 1.00 0.00 C ATOM 543 C LYS A 33 16.516 -2.997 0.762 1.00 0.00 C ATOM 544 O LYS A 33 15.822 -3.725 1.444 1.00 0.00 O ATOM 545 CB LYS A 33 17.410 -3.360 -1.546 1.00 0.00 C ATOM 546 CG LYS A 33 17.681 -4.811 -1.140 1.00 0.00 C ATOM 547 CD LYS A 33 18.560 -5.487 -2.199 1.00 0.00 C ATOM 548 CE LYS A 33 19.909 -4.763 -2.305 1.00 0.00 C ATOM 549 NZ LYS A 33 19.769 -3.580 -3.201 1.00 0.00 N ATOM 0 H LYS A 33 16.666 -0.981 -1.748 1.00 0.00 H new ATOM 0 HA LYS A 33 15.331 -3.340 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.180 -3.307 -2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.301 -2.753 -1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.176 -4.841 -0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.740 -5.351 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.719 -6.533 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.055 -5.474 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.243 -4.447 -1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.668 -5.441 -2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.556 -3.564 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.868 -3.639 -3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.786 -2.710 -2.632 1.00 0.00 H new ATOM 563 N GLU A 34 17.530 -2.353 1.272 1.00 0.00 N ATOM 564 CA GLU A 34 17.847 -2.511 2.723 1.00 0.00 C ATOM 565 C GLU A 34 16.562 -2.344 3.549 1.00 0.00 C ATOM 566 O GLU A 34 16.376 -3.000 4.555 1.00 0.00 O ATOM 567 CB GLU A 34 18.867 -1.451 3.143 1.00 0.00 C ATOM 568 CG GLU A 34 19.410 -1.786 4.534 1.00 0.00 C ATOM 569 CD GLU A 34 20.381 -2.964 4.432 1.00 0.00 C ATOM 570 OE1 GLU A 34 21.544 -2.726 4.151 1.00 0.00 O ATOM 571 OE2 GLU A 34 19.944 -4.085 4.638 1.00 0.00 O ATOM 0 H GLU A 34 18.149 -1.729 0.754 1.00 0.00 H new ATOM 0 HA GLU A 34 18.264 -3.503 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.684 -1.412 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.401 -0.466 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.917 -0.919 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.589 -2.035 5.206 1.00 0.00 H new ATOM 578 N LEU A 35 15.675 -1.478 3.138 1.00 0.00 N ATOM 579 CA LEU A 35 14.408 -1.282 3.908 1.00 0.00 C ATOM 580 C LEU A 35 13.543 -2.547 3.820 1.00 0.00 C ATOM 581 O LEU A 35 12.931 -2.949 4.790 1.00 0.00 O ATOM 582 CB LEU A 35 13.642 -0.078 3.345 1.00 0.00 C ATOM 583 CG LEU A 35 12.400 0.216 4.201 1.00 0.00 C ATOM 584 CD1 LEU A 35 12.814 0.673 5.613 1.00 0.00 C ATOM 585 CD2 LEU A 35 11.581 1.318 3.520 1.00 0.00 C ATOM 0 H LEU A 35 15.771 -0.898 2.304 1.00 0.00 H new ATOM 0 HA LEU A 35 14.648 -1.092 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.292 0.797 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.343 -0.278 2.316 1.00 0.00 H new ATOM 0 HG LEU A 35 11.803 -0.691 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.922 0.877 6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.397 -0.113 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.416 1.579 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.696 1.536 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.188 2.219 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.275 0.984 2.528 1.00 0.00 H new ATOM 597 N ILE A 36 13.494 -3.193 2.688 1.00 0.00 N ATOM 598 CA ILE A 36 12.681 -4.441 2.571 1.00 0.00 C ATOM 599 C ILE A 36 13.194 -5.484 3.569 1.00 0.00 C ATOM 600 O ILE A 36 12.445 -6.294 4.079 1.00 0.00 O ATOM 601 CB ILE A 36 12.832 -4.998 1.151 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.535 -3.884 0.143 1.00 0.00 C ATOM 603 CG2 ILE A 36 11.843 -6.150 0.940 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.528 -4.457 -1.276 1.00 0.00 C ATOM 0 H ILE A 36 13.981 -2.912 1.837 1.00 0.00 H new ATOM 0 HA ILE A 36 11.635 -4.218 2.781 1.00 0.00 H new ATOM 0 HB ILE A 36 13.848 -5.366 1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.571 -3.427 0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.286 -3.098 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.953 -6.544 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.047 -6.941 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.825 -5.786 1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.316 -3.660 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.502 -4.893 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.760 -5.227 -1.354 1.00 0.00 H new ATOM 616 N ASN A 37 14.474 -5.495 3.813 1.00 0.00 N ATOM 617 CA ASN A 37 15.063 -6.511 4.734 1.00 0.00 C ATOM 618 C ASN A 37 14.576 -6.329 6.177 1.00 0.00 C ATOM 619 O ASN A 37 14.081 -7.252 6.791 1.00 0.00 O ATOM 620 CB ASN A 37 16.587 -6.377 4.706 1.00 0.00 C ATOM 621 CG ASN A 37 17.211 -7.446 5.605 1.00 0.00 C ATOM 622 OD1 ASN A 37 17.800 -8.393 5.123 1.00 0.00 O ATOM 623 ND2 ASN A 37 17.106 -7.333 6.901 1.00 0.00 N ATOM 0 H ASN A 37 15.144 -4.839 3.412 1.00 0.00 H new ATOM 0 HA ASN A 37 14.747 -7.497 4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.953 -6.486 3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.881 -5.384 5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.519 -8.040 7.510 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.611 -6.538 7.305 1.00 0.00 H new ATOM 630 N ASN A 38 14.755 -5.165 6.740 1.00 0.00 N ATOM 631 CA ASN A 38 14.349 -4.952 8.165 1.00 0.00 C ATOM 632 C ASN A 38 12.849 -4.660 8.294 1.00 0.00 C ATOM 633 O ASN A 38 12.379 -4.356 9.372 1.00 0.00 O ATOM 634 CB ASN A 38 15.141 -3.776 8.740 1.00 0.00 C ATOM 635 CG ASN A 38 15.034 -3.783 10.266 1.00 0.00 C ATOM 636 OD1 ASN A 38 15.097 -4.826 10.887 1.00 0.00 O ATOM 637 ND2 ASN A 38 14.874 -2.655 10.902 1.00 0.00 N ATOM 0 H ASN A 38 15.164 -4.352 6.279 1.00 0.00 H new ATOM 0 HA ASN A 38 14.561 -5.868 8.717 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.186 -3.846 8.438 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.757 -2.837 8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.802 -2.649 11.919 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.821 -1.779 10.382 1.00 0.00 H new ATOM 644 N GLU A 39 12.092 -4.735 7.223 1.00 0.00 N ATOM 645 CA GLU A 39 10.617 -4.443 7.319 1.00 0.00 C ATOM 646 C GLU A 39 9.795 -5.641 6.834 1.00 0.00 C ATOM 647 O GLU A 39 8.674 -5.832 7.262 1.00 0.00 O ATOM 648 CB GLU A 39 10.288 -3.228 6.448 1.00 0.00 C ATOM 649 CG GLU A 39 10.963 -1.981 7.028 1.00 0.00 C ATOM 650 CD GLU A 39 10.329 -1.632 8.376 1.00 0.00 C ATOM 651 OE1 GLU A 39 9.252 -2.136 8.650 1.00 0.00 O ATOM 652 OE2 GLU A 39 10.931 -0.868 9.111 1.00 0.00 O ATOM 0 H GLU A 39 12.425 -4.984 6.292 1.00 0.00 H new ATOM 0 HA GLU A 39 10.367 -4.243 8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.630 -3.397 5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.209 -3.082 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.031 -2.158 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.857 -1.144 6.338 1.00 0.00 H new ATOM 659 N LEU A 40 10.336 -6.454 5.959 1.00 0.00 N ATOM 660 CA LEU A 40 9.579 -7.650 5.453 1.00 0.00 C ATOM 661 C LEU A 40 10.340 -8.927 5.832 1.00 0.00 C ATOM 662 O LEU A 40 10.187 -9.963 5.216 1.00 0.00 O ATOM 663 CB LEU A 40 9.434 -7.548 3.918 1.00 0.00 C ATOM 664 CG LEU A 40 8.087 -6.898 3.547 1.00 0.00 C ATOM 665 CD1 LEU A 40 7.899 -5.575 4.312 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.059 -6.632 2.037 1.00 0.00 C ATOM 0 H LEU A 40 11.272 -6.343 5.570 1.00 0.00 H new ATOM 0 HA LEU A 40 8.586 -7.682 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.254 -6.959 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.500 -8.541 3.473 1.00 0.00 H new ATOM 0 HG LEU A 40 7.276 -7.573 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.943 -5.129 4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.915 -5.769 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.706 -4.889 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.109 -6.172 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.876 -5.961 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.173 -7.573 1.500 1.00 0.00 H new ATOM 678 N SER A 41 11.153 -8.855 6.851 1.00 0.00 N ATOM 679 CA SER A 41 11.923 -10.055 7.290 1.00 0.00 C ATOM 680 C SER A 41 10.976 -11.056 7.957 1.00 0.00 C ATOM 681 O SER A 41 11.210 -12.248 7.940 1.00 0.00 O ATOM 682 CB SER A 41 12.999 -9.627 8.293 1.00 0.00 C ATOM 683 OG SER A 41 13.250 -10.694 9.199 1.00 0.00 O ATOM 0 H SER A 41 11.318 -8.012 7.401 1.00 0.00 H new ATOM 0 HA SER A 41 12.393 -10.522 6.425 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.915 -9.358 7.768 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.672 -8.741 8.838 1.00 0.00 H new ATOM 0 HG SER A 41 13.939 -10.423 9.841 1.00 0.00 H new ATOM 689 N HIS A 42 9.908 -10.588 8.544 1.00 0.00 N ATOM 690 CA HIS A 42 8.954 -11.523 9.205 1.00 0.00 C ATOM 691 C HIS A 42 8.153 -12.273 8.138 1.00 0.00 C ATOM 692 O HIS A 42 8.042 -13.483 8.166 1.00 0.00 O ATOM 693 CB HIS A 42 7.998 -10.731 10.099 1.00 0.00 C ATOM 694 CG HIS A 42 8.733 -10.256 11.323 1.00 0.00 C ATOM 695 ND1 HIS A 42 9.890 -9.496 11.242 1.00 0.00 N ATOM 696 CD2 HIS A 42 8.490 -10.426 12.663 1.00 0.00 C ATOM 697 CE1 HIS A 42 10.296 -9.240 12.499 1.00 0.00 C ATOM 698 NE2 HIS A 42 9.478 -9.784 13.404 1.00 0.00 N ATOM 0 H HIS A 42 9.655 -9.601 8.594 1.00 0.00 H new ATOM 0 HA HIS A 42 9.509 -12.238 9.812 1.00 0.00 H new ATOM 0 HB2 HIS A 42 7.593 -9.880 9.552 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.153 -11.355 10.389 1.00 0.00 H new ATOM 0 HD2 HIS A 42 7.658 -10.975 13.079 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.176 -8.665 12.746 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.560 -9.739 14.420 1.00 0.00 H new ATOM 706 N PHE A 43 7.594 -11.564 7.195 1.00 0.00 N ATOM 707 CA PHE A 43 6.802 -12.235 6.127 1.00 0.00 C ATOM 708 C PHE A 43 7.722 -13.137 5.303 1.00 0.00 C ATOM 709 O PHE A 43 7.275 -14.015 4.592 1.00 0.00 O ATOM 710 CB PHE A 43 6.179 -11.177 5.214 1.00 0.00 C ATOM 711 CG PHE A 43 5.101 -10.432 5.966 1.00 0.00 C ATOM 712 CD1 PHE A 43 3.840 -11.016 6.142 1.00 0.00 C ATOM 713 CD2 PHE A 43 5.360 -9.157 6.485 1.00 0.00 C ATOM 714 CE1 PHE A 43 2.840 -10.326 6.837 1.00 0.00 C ATOM 715 CE2 PHE A 43 4.360 -8.467 7.180 1.00 0.00 C ATOM 716 CZ PHE A 43 3.100 -9.052 7.356 1.00 0.00 C ATOM 0 H PHE A 43 7.652 -10.549 7.119 1.00 0.00 H new ATOM 0 HA PHE A 43 6.013 -12.835 6.581 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.945 -10.481 4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.758 -11.650 4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.639 -11.999 5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.332 -8.706 6.349 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.868 -10.776 6.973 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.560 -7.484 7.580 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.328 -8.520 7.892 1.00 0.00 H new ATOM 726 N LEU A 44 9.004 -12.910 5.378 1.00 0.00 N ATOM 727 CA LEU A 44 9.959 -13.733 4.585 1.00 0.00 C ATOM 728 C LEU A 44 9.645 -15.220 4.754 1.00 0.00 C ATOM 729 O LEU A 44 9.513 -15.949 3.792 1.00 0.00 O ATOM 730 CB LEU A 44 11.387 -13.460 5.071 1.00 0.00 C ATOM 731 CG LEU A 44 12.410 -14.103 4.110 1.00 0.00 C ATOM 732 CD1 LEU A 44 12.671 -13.181 2.913 1.00 0.00 C ATOM 733 CD2 LEU A 44 13.729 -14.342 4.852 1.00 0.00 C ATOM 0 H LEU A 44 9.433 -12.187 5.956 1.00 0.00 H new ATOM 0 HA LEU A 44 9.866 -13.468 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.559 -12.385 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.520 -13.861 6.076 1.00 0.00 H new ATOM 0 HG LEU A 44 12.005 -15.050 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.394 -13.648 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.738 -13.010 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.066 -12.229 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.451 -14.796 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.120 -13.391 5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.556 -15.009 5.697 1.00 0.00 H new ATOM 745 N GLU A 45 9.534 -15.678 5.967 1.00 0.00 N ATOM 746 CA GLU A 45 9.241 -17.120 6.190 1.00 0.00 C ATOM 747 C GLU A 45 7.938 -17.497 5.482 1.00 0.00 C ATOM 748 O GLU A 45 7.747 -18.625 5.072 1.00 0.00 O ATOM 749 CB GLU A 45 9.099 -17.384 7.691 1.00 0.00 C ATOM 750 CG GLU A 45 10.405 -17.018 8.399 1.00 0.00 C ATOM 751 CD GLU A 45 11.504 -17.998 7.982 1.00 0.00 C ATOM 752 OE1 GLU A 45 11.168 -19.039 7.441 1.00 0.00 O ATOM 753 OE2 GLU A 45 12.662 -17.690 8.210 1.00 0.00 O ATOM 0 H GLU A 45 9.633 -15.118 6.814 1.00 0.00 H new ATOM 0 HA GLU A 45 10.057 -17.721 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.275 -16.797 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.860 -18.433 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.696 -15.999 8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.266 -17.049 9.480 1.00 0.00 H new ATOM 760 N GLU A 46 7.031 -16.566 5.353 1.00 0.00 N ATOM 761 CA GLU A 46 5.724 -16.872 4.693 1.00 0.00 C ATOM 762 C GLU A 46 5.792 -16.574 3.190 1.00 0.00 C ATOM 763 O GLU A 46 5.031 -15.776 2.680 1.00 0.00 O ATOM 764 CB GLU A 46 4.628 -16.011 5.327 1.00 0.00 C ATOM 765 CG GLU A 46 3.254 -16.568 4.945 1.00 0.00 C ATOM 766 CD GLU A 46 2.164 -15.591 5.389 1.00 0.00 C ATOM 767 OE1 GLU A 46 1.969 -14.599 4.705 1.00 0.00 O ATOM 768 OE2 GLU A 46 1.541 -15.851 6.406 1.00 0.00 O ATOM 0 H GLU A 46 7.137 -15.604 5.676 1.00 0.00 H new ATOM 0 HA GLU A 46 5.501 -17.930 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.740 -16.002 6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.720 -14.979 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.200 -16.724 3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.100 -17.539 5.416 1.00 0.00 H new ATOM 775 N ILE A 47 6.681 -17.224 2.475 1.00 0.00 N ATOM 776 CA ILE A 47 6.789 -17.002 0.992 1.00 0.00 C ATOM 777 C ILE A 47 6.637 -18.349 0.279 1.00 0.00 C ATOM 778 O ILE A 47 7.462 -19.229 0.423 1.00 0.00 O ATOM 779 CB ILE A 47 8.158 -16.402 0.650 1.00 0.00 C ATOM 780 CG1 ILE A 47 8.237 -14.970 1.190 1.00 0.00 C ATOM 781 CG2 ILE A 47 8.341 -16.381 -0.874 1.00 0.00 C ATOM 782 CD1 ILE A 47 9.671 -14.447 1.058 1.00 0.00 C ATOM 0 H ILE A 47 7.341 -17.903 2.855 1.00 0.00 H new ATOM 0 HA ILE A 47 6.008 -16.314 0.670 1.00 0.00 H new ATOM 0 HB ILE A 47 8.943 -17.007 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.552 -14.325 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.926 -14.947 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.314 -15.955 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.283 -17.398 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.556 -15.775 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.724 -13.429 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.345 -15.086 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.966 -14.454 0.009 1.00 0.00 H new ATOM 794 N LYS A 48 5.594 -18.521 -0.494 1.00 0.00 N ATOM 795 CA LYS A 48 5.405 -19.818 -1.214 1.00 0.00 C ATOM 796 C LYS A 48 6.033 -19.714 -2.607 1.00 0.00 C ATOM 797 O LYS A 48 6.769 -20.581 -3.035 1.00 0.00 O ATOM 798 CB LYS A 48 3.909 -20.118 -1.345 1.00 0.00 C ATOM 799 CG LYS A 48 3.713 -21.584 -1.736 1.00 0.00 C ATOM 800 CD LYS A 48 2.270 -21.802 -2.201 1.00 0.00 C ATOM 801 CE LYS A 48 1.304 -21.474 -1.059 1.00 0.00 C ATOM 802 NZ LYS A 48 -0.027 -22.081 -1.348 1.00 0.00 N ATOM 0 H LYS A 48 4.868 -17.823 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 48 5.884 -20.622 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.402 -19.911 -0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.462 -19.468 -2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.407 -21.855 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.934 -22.230 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.056 -21.171 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.133 -22.835 -2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.694 -21.857 -0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.207 -20.394 -0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.685 -21.860 -0.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.399 -21.695 -2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.073 -23.113 -1.433 1.00 0.00 H new ATOM 816 N GLU A 49 5.748 -18.652 -3.316 1.00 0.00 N ATOM 817 CA GLU A 49 6.327 -18.477 -4.681 1.00 0.00 C ATOM 818 C GLU A 49 7.697 -17.804 -4.566 1.00 0.00 C ATOM 819 O GLU A 49 7.794 -16.624 -4.292 1.00 0.00 O ATOM 820 CB GLU A 49 5.397 -17.597 -5.520 1.00 0.00 C ATOM 821 CG GLU A 49 4.067 -18.321 -5.739 1.00 0.00 C ATOM 822 CD GLU A 49 4.255 -19.439 -6.767 1.00 0.00 C ATOM 823 OE1 GLU A 49 4.503 -19.122 -7.919 1.00 0.00 O ATOM 824 OE2 GLU A 49 4.148 -20.592 -6.385 1.00 0.00 O ATOM 0 H GLU A 49 5.137 -17.896 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 49 6.436 -19.450 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.226 -16.646 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.862 -17.370 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.708 -18.736 -4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.311 -17.617 -6.086 1.00 0.00 H new ATOM 831 N GLN A 50 8.758 -18.534 -4.776 1.00 0.00 N ATOM 832 CA GLN A 50 10.115 -17.920 -4.682 1.00 0.00 C ATOM 833 C GLN A 50 10.452 -17.210 -5.997 1.00 0.00 C ATOM 834 O GLN A 50 11.275 -16.317 -6.037 1.00 0.00 O ATOM 835 CB GLN A 50 11.150 -19.016 -4.419 1.00 0.00 C ATOM 836 CG GLN A 50 12.517 -18.377 -4.167 1.00 0.00 C ATOM 837 CD GLN A 50 13.538 -19.466 -3.838 1.00 0.00 C ATOM 838 OE1 GLN A 50 13.320 -20.627 -4.126 1.00 0.00 O ATOM 839 NE2 GLN A 50 14.653 -19.140 -3.243 1.00 0.00 N ATOM 0 H GLN A 50 8.745 -19.527 -5.008 1.00 0.00 H new ATOM 0 HA GLN A 50 10.129 -17.197 -3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.852 -19.614 -3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.204 -19.692 -5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.837 -17.818 -5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.451 -17.665 -3.344 1.00 0.00 H new ATOM 0 HE21 GLN A 50 14.836 -18.166 -3.001 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.341 -19.859 -3.020 1.00 0.00 H new ATOM 848 N GLU A 51 9.831 -17.607 -7.075 1.00 0.00 N ATOM 849 CA GLU A 51 10.125 -16.959 -8.387 1.00 0.00 C ATOM 850 C GLU A 51 9.495 -15.565 -8.445 1.00 0.00 C ATOM 851 O GLU A 51 9.951 -14.709 -9.177 1.00 0.00 O ATOM 852 CB GLU A 51 9.598 -17.823 -9.534 1.00 0.00 C ATOM 853 CG GLU A 51 10.407 -19.119 -9.611 1.00 0.00 C ATOM 854 CD GLU A 51 9.880 -19.983 -10.757 1.00 0.00 C ATOM 855 OE1 GLU A 51 8.902 -20.681 -10.546 1.00 0.00 O ATOM 856 OE2 GLU A 51 10.463 -19.932 -11.828 1.00 0.00 O ATOM 0 H GLU A 51 9.134 -18.351 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 51 11.205 -16.859 -8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.543 -18.049 -9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.671 -17.280 -10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.462 -18.893 -9.768 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.334 -19.662 -8.669 1.00 0.00 H new ATOM 863 N VAL A 52 8.485 -15.302 -7.665 1.00 0.00 N ATOM 864 CA VAL A 52 7.891 -13.936 -7.681 1.00 0.00 C ATOM 865 C VAL A 52 8.833 -13.004 -6.920 1.00 0.00 C ATOM 866 O VAL A 52 9.206 -11.957 -7.410 1.00 0.00 O ATOM 867 CB VAL A 52 6.523 -13.948 -6.994 1.00 0.00 C ATOM 868 CG1 VAL A 52 6.000 -12.514 -6.874 1.00 0.00 C ATOM 869 CG2 VAL A 52 5.542 -14.777 -7.824 1.00 0.00 C ATOM 0 H VAL A 52 8.049 -15.965 -7.024 1.00 0.00 H new ATOM 0 HA VAL A 52 7.760 -13.598 -8.709 1.00 0.00 H new ATOM 0 HB VAL A 52 6.620 -14.386 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.026 -12.522 -6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.698 -11.920 -6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.903 -12.078 -7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.568 -14.785 -7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.445 -14.339 -8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.913 -15.798 -7.912 1.00 0.00 H new ATOM 879 N VAL A 53 9.236 -13.371 -5.737 1.00 0.00 N ATOM 880 CA VAL A 53 10.166 -12.494 -4.975 1.00 0.00 C ATOM 881 C VAL A 53 11.483 -12.384 -5.744 1.00 0.00 C ATOM 882 O VAL A 53 12.146 -11.367 -5.721 1.00 0.00 O ATOM 883 CB VAL A 53 10.426 -13.099 -3.595 1.00 0.00 C ATOM 884 CG1 VAL A 53 11.418 -12.221 -2.829 1.00 0.00 C ATOM 885 CG2 VAL A 53 9.110 -13.175 -2.818 1.00 0.00 C ATOM 0 H VAL A 53 8.964 -14.234 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 53 9.726 -11.504 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 53 10.842 -14.100 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.602 -12.653 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.356 -12.164 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.003 -11.220 -2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.293 -13.606 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 53 8.696 -12.173 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.402 -13.800 -3.362 1.00 0.00 H new ATOM 895 N ASP A 54 11.868 -13.428 -6.424 1.00 0.00 N ATOM 896 CA ASP A 54 13.142 -13.387 -7.193 1.00 0.00 C ATOM 897 C ASP A 54 13.074 -12.273 -8.242 1.00 0.00 C ATOM 898 O ASP A 54 14.014 -11.526 -8.427 1.00 0.00 O ATOM 899 CB ASP A 54 13.360 -14.731 -7.892 1.00 0.00 C ATOM 900 CG ASP A 54 14.742 -14.748 -8.546 1.00 0.00 C ATOM 901 OD1 ASP A 54 15.625 -14.077 -8.037 1.00 0.00 O ATOM 902 OD2 ASP A 54 14.895 -15.431 -9.545 1.00 0.00 O ATOM 0 H ASP A 54 11.355 -14.308 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 54 13.969 -13.192 -6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.277 -15.545 -7.172 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.588 -14.891 -8.645 1.00 0.00 H new ATOM 907 N LYS A 55 11.973 -12.166 -8.941 1.00 0.00 N ATOM 908 CA LYS A 55 11.859 -11.110 -9.988 1.00 0.00 C ATOM 909 C LYS A 55 11.800 -9.731 -9.330 1.00 0.00 C ATOM 910 O LYS A 55 12.211 -8.747 -9.911 1.00 0.00 O ATOM 911 CB LYS A 55 10.605 -11.342 -10.832 1.00 0.00 C ATOM 912 CG LYS A 55 10.541 -10.300 -11.951 1.00 0.00 C ATOM 913 CD LYS A 55 9.453 -10.693 -12.953 1.00 0.00 C ATOM 914 CE LYS A 55 9.130 -9.498 -13.852 1.00 0.00 C ATOM 915 NZ LYS A 55 8.021 -9.859 -14.780 1.00 0.00 N ATOM 0 H LYS A 55 11.152 -12.762 -8.832 1.00 0.00 H new ATOM 0 HA LYS A 55 12.733 -11.157 -10.637 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.620 -12.346 -11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.715 -11.274 -10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.328 -9.316 -11.534 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.506 -10.231 -12.454 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.788 -11.536 -13.557 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.556 -11.016 -12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.845 -8.639 -13.245 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.014 -9.207 -14.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.801 -9.047 -15.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.310 -10.667 -15.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.177 -10.116 -14.229 1.00 0.00 H new ATOM 929 N VAL A 56 11.334 -9.642 -8.115 1.00 0.00 N ATOM 930 CA VAL A 56 11.304 -8.320 -7.431 1.00 0.00 C ATOM 931 C VAL A 56 12.742 -7.828 -7.268 1.00 0.00 C ATOM 932 O VAL A 56 13.093 -6.747 -7.696 1.00 0.00 O ATOM 933 CB VAL A 56 10.662 -8.482 -6.051 1.00 0.00 C ATOM 934 CG1 VAL A 56 10.745 -7.156 -5.292 1.00 0.00 C ATOM 935 CG2 VAL A 56 9.193 -8.884 -6.221 1.00 0.00 C ATOM 0 H VAL A 56 10.974 -10.424 -7.568 1.00 0.00 H new ATOM 0 HA VAL A 56 10.727 -7.604 -8.016 1.00 0.00 H new ATOM 0 HB VAL A 56 11.189 -9.254 -5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.288 -7.270 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.790 -6.868 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.216 -6.383 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.732 -9.000 -5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.666 -8.110 -6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.134 -9.827 -6.764 1.00 0.00 H new ATOM 945 N MET A 57 13.575 -8.615 -6.647 1.00 0.00 N ATOM 946 CA MET A 57 14.991 -8.198 -6.447 1.00 0.00 C ATOM 947 C MET A 57 15.624 -7.810 -7.785 1.00 0.00 C ATOM 948 O MET A 57 16.546 -7.021 -7.833 1.00 0.00 O ATOM 949 CB MET A 57 15.777 -9.354 -5.826 1.00 0.00 C ATOM 950 CG MET A 57 15.316 -9.568 -4.383 1.00 0.00 C ATOM 951 SD MET A 57 15.848 -8.170 -3.365 1.00 0.00 S ATOM 952 CE MET A 57 14.997 -8.662 -1.846 1.00 0.00 C ATOM 0 H MET A 57 13.336 -9.531 -6.268 1.00 0.00 H new ATOM 0 HA MET A 57 15.016 -7.335 -5.782 1.00 0.00 H new ATOM 0 HB2 MET A 57 15.625 -10.264 -6.406 1.00 0.00 H new ATOM 0 HB3 MET A 57 16.845 -9.136 -5.849 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.231 -9.665 -4.347 1.00 0.00 H new ATOM 0 HG3 MET A 57 15.732 -10.496 -3.991 1.00 0.00 H new ATOM 0 HE1 MET A 57 15.191 -7.926 -1.066 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.925 -8.720 -2.032 1.00 0.00 H new ATOM 0 HE3 MET A 57 15.362 -9.637 -1.524 1.00 0.00 H new ATOM 962 N GLU A 58 15.128 -8.330 -8.881 1.00 0.00 N ATOM 963 CA GLU A 58 15.699 -7.952 -10.210 1.00 0.00 C ATOM 964 C GLU A 58 15.023 -6.671 -10.703 1.00 0.00 C ATOM 965 O GLU A 58 15.648 -5.841 -11.332 1.00 0.00 O ATOM 966 CB GLU A 58 15.504 -9.084 -11.221 1.00 0.00 C ATOM 967 CG GLU A 58 16.376 -8.825 -12.451 1.00 0.00 C ATOM 968 CD GLU A 58 17.845 -9.064 -12.096 1.00 0.00 C ATOM 969 OE1 GLU A 58 18.163 -10.169 -11.687 1.00 0.00 O ATOM 970 OE2 GLU A 58 18.627 -8.139 -12.238 1.00 0.00 O ATOM 0 H GLU A 58 14.356 -8.996 -8.913 1.00 0.00 H new ATOM 0 HA GLU A 58 16.770 -7.777 -10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.769 -10.040 -10.769 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.456 -9.149 -11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.077 -9.483 -13.267 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.237 -7.802 -12.799 1.00 0.00 H new ATOM 977 N THR A 59 13.767 -6.480 -10.410 1.00 0.00 N ATOM 978 CA THR A 59 13.100 -5.231 -10.854 1.00 0.00 C ATOM 979 C THR A 59 13.715 -4.069 -10.079 1.00 0.00 C ATOM 980 O THR A 59 14.119 -3.081 -10.661 1.00 0.00 O ATOM 981 CB THR A 59 11.600 -5.316 -10.585 1.00 0.00 C ATOM 982 OG1 THR A 59 11.383 -5.718 -9.241 1.00 0.00 O ATOM 983 CG2 THR A 59 10.962 -6.330 -11.537 1.00 0.00 C ATOM 0 H THR A 59 13.180 -7.130 -9.887 1.00 0.00 H new ATOM 0 HA THR A 59 13.242 -5.083 -11.925 1.00 0.00 H new ATOM 0 HB THR A 59 11.146 -4.338 -10.748 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.816 -5.058 -8.790 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.891 -6.388 -11.342 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.127 -6.015 -12.567 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.413 -7.310 -11.380 1.00 0.00 H new ATOM 991 N LEU A 60 13.834 -4.173 -8.787 1.00 0.00 N ATOM 992 CA LEU A 60 14.470 -3.067 -8.025 1.00 0.00 C ATOM 993 C LEU A 60 15.898 -2.884 -8.538 1.00 0.00 C ATOM 994 O LEU A 60 16.272 -1.820 -8.989 1.00 0.00 O ATOM 995 CB LEU A 60 14.510 -3.426 -6.536 1.00 0.00 C ATOM 996 CG LEU A 60 13.105 -3.796 -6.046 1.00 0.00 C ATOM 997 CD1 LEU A 60 13.204 -4.404 -4.646 1.00 0.00 C ATOM 998 CD2 LEU A 60 12.219 -2.544 -5.994 1.00 0.00 C ATOM 0 H LEU A 60 13.522 -4.968 -8.230 1.00 0.00 H new ATOM 0 HA LEU A 60 13.900 -2.147 -8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 60 15.192 -4.261 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.894 -2.584 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 60 12.664 -4.517 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.207 -4.669 -4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.826 -5.298 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.649 -3.679 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.223 -2.817 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.657 -1.817 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.147 -2.108 -6.990 1.00 0.00 H new ATOM 1010 N ASP A 61 16.702 -3.915 -8.482 1.00 0.00 N ATOM 1011 CA ASP A 61 18.099 -3.788 -8.977 1.00 0.00 C ATOM 1012 C ASP A 61 18.077 -3.183 -10.382 1.00 0.00 C ATOM 1013 O ASP A 61 19.036 -2.585 -10.827 1.00 0.00 O ATOM 1014 CB ASP A 61 18.755 -5.170 -9.024 1.00 0.00 C ATOM 1015 CG ASP A 61 20.201 -5.033 -9.504 1.00 0.00 C ATOM 1016 OD1 ASP A 61 20.848 -4.077 -9.110 1.00 0.00 O ATOM 1017 OD2 ASP A 61 20.638 -5.888 -10.258 1.00 0.00 O ATOM 0 H ASP A 61 16.450 -4.833 -8.116 1.00 0.00 H new ATOM 0 HA ASP A 61 18.669 -3.144 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.731 -5.629 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.199 -5.826 -9.694 1.00 0.00 H new ATOM 1022 N GLU A 62 16.977 -3.332 -11.082 1.00 0.00 N ATOM 1023 CA GLU A 62 16.867 -2.766 -12.464 1.00 0.00 C ATOM 1024 C GLU A 62 16.070 -1.472 -12.403 1.00 0.00 C ATOM 1025 O GLU A 62 15.234 -1.184 -13.237 1.00 0.00 O ATOM 1026 CB GLU A 62 16.140 -3.735 -13.347 1.00 0.00 C ATOM 1027 CG GLU A 62 17.016 -4.958 -13.625 1.00 0.00 C ATOM 1028 CD GLU A 62 18.097 -4.589 -14.642 1.00 0.00 C ATOM 1029 OE1 GLU A 62 17.743 -4.103 -15.704 1.00 0.00 O ATOM 1030 OE2 GLU A 62 19.261 -4.798 -14.343 1.00 0.00 O ATOM 0 H GLU A 62 16.146 -3.824 -10.753 1.00 0.00 H new ATOM 0 HA GLU A 62 17.864 -2.581 -12.863 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.210 -4.046 -12.870 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.870 -3.251 -14.286 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.475 -5.308 -12.700 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.406 -5.777 -14.007 1.00 0.00 H new ATOM 1037 N ASP A 63 16.336 -0.711 -11.416 1.00 0.00 N ATOM 1038 CA ASP A 63 15.630 0.589 -11.225 1.00 0.00 C ATOM 1039 C ASP A 63 15.529 1.333 -12.555 1.00 0.00 C ATOM 1040 O ASP A 63 14.509 1.900 -12.890 1.00 0.00 O ATOM 1041 CB ASP A 63 16.470 1.446 -10.271 1.00 0.00 C ATOM 1042 CG ASP A 63 15.672 2.684 -9.849 1.00 0.00 C ATOM 1043 OD1 ASP A 63 14.462 2.669 -10.009 1.00 0.00 O ATOM 1044 OD2 ASP A 63 16.284 3.625 -9.373 1.00 0.00 O ATOM 0 H ASP A 63 17.031 -0.924 -10.701 1.00 0.00 H new ATOM 0 HA ASP A 63 14.630 0.406 -10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.747 0.864 -9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.397 1.748 -10.759 1.00 0.00 H new ATOM 1049 N GLY A 64 16.581 1.304 -13.320 1.00 0.00 N ATOM 1050 CA GLY A 64 16.582 1.977 -14.652 1.00 0.00 C ATOM 1051 C GLY A 64 16.155 3.451 -14.548 1.00 0.00 C ATOM 1052 O GLY A 64 16.237 4.178 -15.519 1.00 0.00 O ATOM 0 H GLY A 64 17.455 0.836 -13.078 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.579 1.917 -15.088 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.907 1.450 -15.326 1.00 0.00 H new ATOM 1056 N ASP A 65 15.689 3.908 -13.399 1.00 0.00 N ATOM 1057 CA ASP A 65 15.244 5.348 -13.268 1.00 0.00 C ATOM 1058 C ASP A 65 16.221 6.195 -12.410 1.00 0.00 C ATOM 1059 O ASP A 65 16.085 7.401 -12.358 1.00 0.00 O ATOM 1060 CB ASP A 65 13.862 5.373 -12.613 1.00 0.00 C ATOM 1061 CG ASP A 65 12.839 4.740 -13.558 1.00 0.00 C ATOM 1062 OD1 ASP A 65 13.107 4.698 -14.747 1.00 0.00 O ATOM 1063 OD2 ASP A 65 11.805 4.308 -13.076 1.00 0.00 O ATOM 0 H ASP A 65 15.597 3.351 -12.550 1.00 0.00 H new ATOM 0 HA ASP A 65 15.221 5.783 -14.267 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.885 4.830 -11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.575 6.399 -12.383 1.00 0.00 H new ATOM 1068 N GLY A 66 17.203 5.619 -11.747 1.00 0.00 N ATOM 1069 CA GLY A 66 18.141 6.454 -10.939 1.00 0.00 C ATOM 1070 C GLY A 66 17.511 6.806 -9.588 1.00 0.00 C ATOM 1071 O GLY A 66 18.205 6.996 -8.609 1.00 0.00 O ATOM 0 H GLY A 66 17.390 4.616 -11.734 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.076 5.915 -10.783 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.386 7.367 -11.482 1.00 0.00 H new ATOM 1075 N GLU A 67 16.205 6.889 -9.514 1.00 0.00 N ATOM 1076 CA GLU A 67 15.557 7.224 -8.208 1.00 0.00 C ATOM 1077 C GLU A 67 14.166 6.582 -8.117 1.00 0.00 C ATOM 1078 O GLU A 67 13.374 6.672 -9.033 1.00 0.00 O ATOM 1079 CB GLU A 67 15.439 8.744 -8.092 1.00 0.00 C ATOM 1080 CG GLU A 67 14.391 9.261 -9.081 1.00 0.00 C ATOM 1081 CD GLU A 67 14.527 10.778 -9.226 1.00 0.00 C ATOM 1082 OE1 GLU A 67 15.472 11.324 -8.680 1.00 0.00 O ATOM 1083 OE2 GLU A 67 13.684 11.368 -9.881 1.00 0.00 O ATOM 0 H GLU A 67 15.565 6.741 -10.294 1.00 0.00 H new ATOM 0 HA GLU A 67 16.166 6.835 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.159 9.019 -7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 67 16.404 9.209 -8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.522 8.780 -10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.390 9.007 -8.732 1.00 0.00 H new ATOM 1090 N CYS A 68 13.860 5.944 -7.012 1.00 0.00 N ATOM 1091 CA CYS A 68 12.517 5.302 -6.844 1.00 0.00 C ATOM 1092 C CYS A 68 11.661 6.169 -5.914 1.00 0.00 C ATOM 1093 O CYS A 68 12.072 6.518 -4.825 1.00 0.00 O ATOM 1094 CB CYS A 68 12.691 3.906 -6.235 1.00 0.00 C ATOM 1095 SG CYS A 68 14.134 3.103 -6.975 1.00 0.00 S ATOM 0 H CYS A 68 14.487 5.840 -6.214 1.00 0.00 H new ATOM 0 HA CYS A 68 12.026 5.211 -7.813 1.00 0.00 H new ATOM 0 HB2 CYS A 68 12.817 3.981 -5.155 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.798 3.307 -6.411 1.00 0.00 H new ATOM 0 HG CYS A 68 13.911 2.888 -8.238 1.00 0.00 H new ATOM 1101 N ASP A 69 10.477 6.525 -6.337 1.00 0.00 N ATOM 1102 CA ASP A 69 9.600 7.376 -5.480 1.00 0.00 C ATOM 1103 C ASP A 69 8.825 6.498 -4.494 1.00 0.00 C ATOM 1104 O ASP A 69 9.030 5.303 -4.414 1.00 0.00 O ATOM 1105 CB ASP A 69 8.612 8.138 -6.366 1.00 0.00 C ATOM 1106 CG ASP A 69 7.959 9.261 -5.557 1.00 0.00 C ATOM 1107 OD1 ASP A 69 8.338 9.435 -4.411 1.00 0.00 O ATOM 1108 OD2 ASP A 69 7.093 9.928 -6.098 1.00 0.00 O ATOM 0 H ASP A 69 10.079 6.263 -7.239 1.00 0.00 H new ATOM 0 HA ASP A 69 10.217 8.082 -4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.129 8.553 -7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.849 7.458 -6.746 1.00 0.00 H new ATOM 1113 N PHE A 70 7.930 7.085 -3.747 1.00 0.00 N ATOM 1114 CA PHE A 70 7.132 6.288 -2.771 1.00 0.00 C ATOM 1115 C PHE A 70 6.085 5.472 -3.530 1.00 0.00 C ATOM 1116 O PHE A 70 5.738 4.377 -3.135 1.00 0.00 O ATOM 1117 CB PHE A 70 6.447 7.234 -1.779 1.00 0.00 C ATOM 1118 CG PHE A 70 5.599 6.445 -0.808 1.00 0.00 C ATOM 1119 CD1 PHE A 70 4.339 5.971 -1.197 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.071 6.192 0.484 1.00 0.00 C ATOM 1121 CE1 PHE A 70 3.555 5.245 -0.293 1.00 0.00 C ATOM 1122 CE2 PHE A 70 5.288 5.467 1.388 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.029 4.993 1.000 1.00 0.00 C ATOM 0 H PHE A 70 7.717 8.082 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 70 7.785 5.611 -2.220 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.197 7.808 -1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.826 7.950 -2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.973 6.166 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.042 6.557 0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.584 4.879 -0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.654 5.273 2.385 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.424 4.433 1.698 1.00 0.00 H new ATOM 1133 N GLN A 71 5.582 5.981 -4.619 1.00 0.00 N ATOM 1134 CA GLN A 71 4.567 5.211 -5.390 1.00 0.00 C ATOM 1135 C GLN A 71 5.164 3.852 -5.769 1.00 0.00 C ATOM 1136 O GLN A 71 4.487 2.843 -5.760 1.00 0.00 O ATOM 1137 CB GLN A 71 4.198 5.991 -6.660 1.00 0.00 C ATOM 1138 CG GLN A 71 3.298 5.141 -7.567 1.00 0.00 C ATOM 1139 CD GLN A 71 2.095 4.628 -6.774 1.00 0.00 C ATOM 1140 OE1 GLN A 71 1.331 5.405 -6.237 1.00 0.00 O ATOM 1141 NE2 GLN A 71 1.894 3.342 -6.676 1.00 0.00 N ATOM 0 H GLN A 71 5.828 6.892 -5.007 1.00 0.00 H new ATOM 0 HA GLN A 71 3.670 5.062 -4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.686 6.915 -6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.103 6.273 -7.197 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.959 5.734 -8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.863 4.301 -7.971 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.536 2.690 -7.127 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.095 2.989 -6.149 1.00 0.00 H new ATOM 1150 N GLU A 72 6.426 3.816 -6.096 1.00 0.00 N ATOM 1151 CA GLU A 72 7.063 2.520 -6.468 1.00 0.00 C ATOM 1152 C GLU A 72 7.244 1.648 -5.221 1.00 0.00 C ATOM 1153 O GLU A 72 7.272 0.438 -5.295 1.00 0.00 O ATOM 1154 CB GLU A 72 8.421 2.779 -7.125 1.00 0.00 C ATOM 1155 CG GLU A 72 8.236 3.691 -8.340 1.00 0.00 C ATOM 1156 CD GLU A 72 9.501 3.663 -9.199 1.00 0.00 C ATOM 1157 OE1 GLU A 72 9.742 2.647 -9.831 1.00 0.00 O ATOM 1158 OE2 GLU A 72 10.207 4.658 -9.212 1.00 0.00 O ATOM 0 H GLU A 72 7.044 4.627 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 72 6.419 1.997 -7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.100 3.242 -6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.875 1.836 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.378 3.362 -8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.028 4.710 -8.014 1.00 0.00 H new ATOM 1165 N PHE A 73 7.323 2.254 -4.070 1.00 0.00 N ATOM 1166 CA PHE A 73 7.460 1.464 -2.811 1.00 0.00 C ATOM 1167 C PHE A 73 6.101 0.866 -2.444 1.00 0.00 C ATOM 1168 O PHE A 73 6.020 -0.263 -2.008 1.00 0.00 O ATOM 1169 CB PHE A 73 7.980 2.359 -1.683 1.00 0.00 C ATOM 1170 CG PHE A 73 7.982 1.599 -0.373 1.00 0.00 C ATOM 1171 CD1 PHE A 73 8.780 0.457 -0.226 1.00 0.00 C ATOM 1172 CD2 PHE A 73 7.195 2.043 0.700 1.00 0.00 C ATOM 1173 CE1 PHE A 73 8.790 -0.240 0.988 1.00 0.00 C ATOM 1174 CE2 PHE A 73 7.208 1.346 1.914 1.00 0.00 C ATOM 1175 CZ PHE A 73 8.005 0.205 2.058 1.00 0.00 C ATOM 0 H PHE A 73 7.299 3.266 -3.945 1.00 0.00 H new ATOM 0 HA PHE A 73 8.176 0.656 -2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.989 2.701 -1.915 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.355 3.247 -1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.388 0.114 -1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.579 2.923 0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.404 -1.122 1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.603 1.689 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.014 -0.332 2.995 1.00 0.00 H new ATOM 1185 N MET A 74 5.033 1.584 -2.616 1.00 0.00 N ATOM 1186 CA MET A 74 3.713 0.990 -2.265 1.00 0.00 C ATOM 1187 C MET A 74 3.378 -0.118 -3.276 1.00 0.00 C ATOM 1188 O MET A 74 2.770 -1.107 -2.918 1.00 0.00 O ATOM 1189 CB MET A 74 2.624 2.079 -2.266 1.00 0.00 C ATOM 1190 CG MET A 74 1.524 1.733 -1.249 1.00 0.00 C ATOM 1191 SD MET A 74 2.022 2.317 0.397 1.00 0.00 S ATOM 1192 CE MET A 74 2.123 0.713 1.237 1.00 0.00 C ATOM 0 H MET A 74 5.011 2.538 -2.977 1.00 0.00 H new ATOM 0 HA MET A 74 3.756 0.559 -1.265 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.065 3.045 -2.020 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.192 2.170 -3.263 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.582 2.197 -1.543 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.356 0.656 -1.230 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.190 0.870 2.314 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.232 0.127 1.010 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.007 0.177 0.893 1.00 0.00 H new ATOM 1202 N ALA A 75 3.766 0.001 -4.516 1.00 0.00 N ATOM 1203 CA ALA A 75 3.459 -1.086 -5.494 1.00 0.00 C ATOM 1204 C ALA A 75 4.409 -2.274 -5.288 1.00 0.00 C ATOM 1205 O ALA A 75 3.971 -3.389 -5.084 1.00 0.00 O ATOM 1206 CB ALA A 75 3.632 -0.547 -6.915 1.00 0.00 C ATOM 0 H ALA A 75 4.279 0.797 -4.894 1.00 0.00 H new ATOM 0 HA ALA A 75 2.433 -1.421 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.409 -1.336 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.951 0.290 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.659 -0.210 -7.054 1.00 0.00 H new ATOM 1212 N PHE A 76 5.696 -2.064 -5.345 1.00 0.00 N ATOM 1213 CA PHE A 76 6.632 -3.214 -5.156 1.00 0.00 C ATOM 1214 C PHE A 76 6.335 -3.889 -3.811 1.00 0.00 C ATOM 1215 O PHE A 76 6.450 -5.090 -3.670 1.00 0.00 O ATOM 1216 CB PHE A 76 8.093 -2.718 -5.192 1.00 0.00 C ATOM 1217 CG PHE A 76 8.586 -2.650 -6.629 1.00 0.00 C ATOM 1218 CD1 PHE A 76 8.655 -3.819 -7.402 1.00 0.00 C ATOM 1219 CD2 PHE A 76 8.969 -1.423 -7.187 1.00 0.00 C ATOM 1220 CE1 PHE A 76 9.104 -3.756 -8.727 1.00 0.00 C ATOM 1221 CE2 PHE A 76 9.419 -1.363 -8.511 1.00 0.00 C ATOM 1222 CZ PHE A 76 9.485 -2.529 -9.281 1.00 0.00 C ATOM 0 H PHE A 76 6.138 -1.160 -5.512 1.00 0.00 H new ATOM 0 HA PHE A 76 6.491 -3.935 -5.961 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.163 -1.734 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.727 -3.389 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.362 -4.767 -6.975 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.917 -0.522 -6.594 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.156 -4.656 -9.322 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.715 -0.416 -8.938 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.830 -2.482 -10.303 1.00 0.00 H new ATOM 1232 N VAL A 77 5.941 -3.129 -2.830 1.00 0.00 N ATOM 1233 CA VAL A 77 5.624 -3.738 -1.505 1.00 0.00 C ATOM 1234 C VAL A 77 4.414 -4.665 -1.664 1.00 0.00 C ATOM 1235 O VAL A 77 4.323 -5.696 -1.027 1.00 0.00 O ATOM 1236 CB VAL A 77 5.307 -2.622 -0.494 1.00 0.00 C ATOM 1237 CG1 VAL A 77 4.589 -3.202 0.734 1.00 0.00 C ATOM 1238 CG2 VAL A 77 6.613 -1.948 -0.046 1.00 0.00 C ATOM 0 H VAL A 77 5.824 -2.117 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 77 6.476 -4.313 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 77 4.657 -1.889 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.371 -2.401 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.657 -3.674 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.228 -3.944 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.388 -1.158 0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.262 -2.688 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.117 -1.520 -0.912 1.00 0.00 H new ATOM 1248 N SER A 78 3.486 -4.310 -2.508 1.00 0.00 N ATOM 1249 CA SER A 78 2.289 -5.175 -2.703 1.00 0.00 C ATOM 1250 C SER A 78 2.708 -6.479 -3.386 1.00 0.00 C ATOM 1251 O SER A 78 2.396 -7.560 -2.928 1.00 0.00 O ATOM 1252 CB SER A 78 1.272 -4.446 -3.581 1.00 0.00 C ATOM 1253 OG SER A 78 1.689 -4.513 -4.938 1.00 0.00 O ATOM 0 H SER A 78 3.504 -3.459 -3.071 1.00 0.00 H new ATOM 0 HA SER A 78 1.841 -5.399 -1.735 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.287 -4.899 -3.469 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.183 -3.406 -3.267 1.00 0.00 H new ATOM 0 HG SER A 78 0.999 -4.961 -5.471 1.00 0.00 H new ATOM 1259 N MET A 79 3.399 -6.383 -4.487 1.00 0.00 N ATOM 1260 CA MET A 79 3.824 -7.612 -5.217 1.00 0.00 C ATOM 1261 C MET A 79 4.498 -8.595 -4.256 1.00 0.00 C ATOM 1262 O MET A 79 4.280 -9.788 -4.320 1.00 0.00 O ATOM 1263 CB MET A 79 4.818 -7.222 -6.313 1.00 0.00 C ATOM 1264 CG MET A 79 4.990 -8.388 -7.288 1.00 0.00 C ATOM 1265 SD MET A 79 6.444 -8.098 -8.326 1.00 0.00 S ATOM 1266 CE MET A 79 5.639 -7.050 -9.561 1.00 0.00 C ATOM 0 H MET A 79 3.689 -5.504 -4.915 1.00 0.00 H new ATOM 0 HA MET A 79 2.946 -8.088 -5.654 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.461 -6.340 -6.845 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.779 -6.960 -5.870 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.103 -9.322 -6.738 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.101 -8.490 -7.910 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.368 -6.749 -10.314 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.832 -7.605 -10.039 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.232 -6.163 -9.076 1.00 0.00 H new ATOM 1276 N VAL A 80 5.322 -8.105 -3.371 1.00 0.00 N ATOM 1277 CA VAL A 80 6.014 -9.018 -2.416 1.00 0.00 C ATOM 1278 C VAL A 80 5.019 -9.513 -1.364 1.00 0.00 C ATOM 1279 O VAL A 80 4.908 -10.695 -1.104 1.00 0.00 O ATOM 1280 CB VAL A 80 7.149 -8.267 -1.714 1.00 0.00 C ATOM 1281 CG1 VAL A 80 7.813 -9.190 -0.686 1.00 0.00 C ATOM 1282 CG2 VAL A 80 8.189 -7.820 -2.747 1.00 0.00 C ATOM 0 H VAL A 80 5.546 -7.115 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 80 6.420 -9.866 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 80 6.743 -7.391 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.621 -8.656 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.074 -9.504 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.216 -10.067 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.995 -7.286 -2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.595 -8.694 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.717 -7.162 -3.477 1.00 0.00 H new ATOM 1292 N THR A 81 4.300 -8.611 -0.752 1.00 0.00 N ATOM 1293 CA THR A 81 3.315 -9.017 0.289 1.00 0.00 C ATOM 1294 C THR A 81 2.315 -10.011 -0.304 1.00 0.00 C ATOM 1295 O THR A 81 1.980 -11.006 0.305 1.00 0.00 O ATOM 1296 CB THR A 81 2.567 -7.779 0.791 1.00 0.00 C ATOM 1297 OG1 THR A 81 3.507 -6.801 1.214 1.00 0.00 O ATOM 1298 CG2 THR A 81 1.666 -8.165 1.964 1.00 0.00 C ATOM 0 H THR A 81 4.353 -7.608 -0.929 1.00 0.00 H new ATOM 0 HA THR A 81 3.841 -9.489 1.119 1.00 0.00 H new ATOM 0 HB THR A 81 1.955 -7.372 -0.014 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.616 -6.127 0.511 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.134 -7.283 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.946 -8.916 1.638 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.274 -8.572 2.771 1.00 0.00 H new ATOM 1306 N THR A 82 1.833 -9.749 -1.487 1.00 0.00 N ATOM 1307 CA THR A 82 0.852 -10.682 -2.113 1.00 0.00 C ATOM 1308 C THR A 82 1.488 -12.065 -2.268 1.00 0.00 C ATOM 1309 O THR A 82 0.914 -13.068 -1.895 1.00 0.00 O ATOM 1310 CB THR A 82 0.447 -10.147 -3.490 1.00 0.00 C ATOM 1311 OG1 THR A 82 1.607 -9.711 -4.187 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.520 -8.974 -3.321 1.00 0.00 C ATOM 0 H THR A 82 2.075 -8.931 -2.047 1.00 0.00 H new ATOM 0 HA THR A 82 -0.031 -10.759 -1.479 1.00 0.00 H new ATOM 0 HB THR A 82 -0.043 -10.938 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.809 -8.784 -3.939 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.807 -8.595 -4.302 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.409 -9.310 -2.787 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.034 -8.181 -2.753 1.00 0.00 H new ATOM 1320 N ALA A 83 2.666 -12.128 -2.825 1.00 0.00 N ATOM 1321 CA ALA A 83 3.334 -13.446 -3.015 1.00 0.00 C ATOM 1322 C ALA A 83 3.390 -14.198 -1.683 1.00 0.00 C ATOM 1323 O ALA A 83 3.652 -15.383 -1.642 1.00 0.00 O ATOM 1324 CB ALA A 83 4.757 -13.222 -3.532 1.00 0.00 C ATOM 0 H ALA A 83 3.196 -11.322 -3.157 1.00 0.00 H new ATOM 0 HA ALA A 83 2.768 -14.036 -3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.249 -14.185 -3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.719 -12.692 -4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.318 -12.630 -2.809 1.00 0.00 H new ATOM 1481 N SER B 1 8.640 -4.696 14.251 1.00 0.00 N ATOM 1482 CA SER B 1 8.685 -3.208 14.334 1.00 0.00 C ATOM 1483 C SER B 1 7.260 -2.656 14.260 1.00 0.00 C ATOM 1484 O SER B 1 6.321 -3.374 13.981 1.00 0.00 O ATOM 1485 CB SER B 1 9.507 -2.655 13.170 1.00 0.00 C ATOM 1486 OG SER B 1 8.751 -2.760 11.971 1.00 0.00 O ATOM 0 H1 SER B 1 9.378 -5.100 14.862 1.00 0.00 H new ATOM 0 H2 SER B 1 7.708 -5.033 14.565 1.00 0.00 H new ATOM 0 H3 SER B 1 8.802 -4.994 13.268 1.00 0.00 H new ATOM 0 HA SER B 1 9.146 -2.908 15.275 1.00 0.00 H new ATOM 0 HB2 SER B 1 9.770 -1.614 13.358 1.00 0.00 H new ATOM 0 HB3 SER B 1 10.441 -3.208 13.074 1.00 0.00 H new ATOM 0 HG SER B 1 9.169 -3.418 11.377 1.00 0.00 H new ATOM 1492 N GLU B 2 7.089 -1.386 14.510 1.00 0.00 N ATOM 1493 CA GLU B 2 5.722 -0.798 14.453 1.00 0.00 C ATOM 1494 C GLU B 2 5.121 -1.041 13.068 1.00 0.00 C ATOM 1495 O GLU B 2 3.929 -1.212 12.917 1.00 0.00 O ATOM 1496 CB GLU B 2 5.801 0.707 14.718 1.00 0.00 C ATOM 1497 CG GLU B 2 6.442 0.955 16.085 1.00 0.00 C ATOM 1498 CD GLU B 2 5.460 0.560 17.190 1.00 0.00 C ATOM 1499 OE1 GLU B 2 4.334 1.028 17.150 1.00 0.00 O ATOM 1500 OE2 GLU B 2 5.851 -0.204 18.057 1.00 0.00 O ATOM 0 H GLU B 2 7.835 -0.733 14.750 1.00 0.00 H new ATOM 0 HA GLU B 2 5.093 -1.267 15.210 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.386 1.194 13.937 1.00 0.00 H new ATOM 0 HB3 GLU B 2 4.803 1.144 14.688 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.361 0.377 16.177 1.00 0.00 H new ATOM 0 HG3 GLU B 2 6.715 2.006 16.185 1.00 0.00 H new ATOM 1507 N LEU B 3 5.939 -1.042 12.052 1.00 0.00 N ATOM 1508 CA LEU B 3 5.417 -1.258 10.674 1.00 0.00 C ATOM 1509 C LEU B 3 4.803 -2.661 10.564 1.00 0.00 C ATOM 1510 O LEU B 3 3.692 -2.823 10.099 1.00 0.00 O ATOM 1511 CB LEU B 3 6.572 -1.102 9.665 1.00 0.00 C ATOM 1512 CG LEU B 3 6.039 -0.591 8.319 1.00 0.00 C ATOM 1513 CD1 LEU B 3 7.181 -0.555 7.301 1.00 0.00 C ATOM 1514 CD2 LEU B 3 4.930 -1.523 7.814 1.00 0.00 C ATOM 0 H LEU B 3 6.947 -0.902 12.117 1.00 0.00 H new ATOM 0 HA LEU B 3 4.644 -0.521 10.454 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.315 -0.407 10.057 1.00 0.00 H new ATOM 0 HB3 LEU B 3 7.074 -2.060 9.525 1.00 0.00 H new ATOM 0 HG LEU B 3 5.633 0.413 8.448 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.804 -0.192 6.345 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.966 0.112 7.658 1.00 0.00 H new ATOM 0 HD13 LEU B 3 7.587 -1.559 7.174 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.554 -1.157 6.859 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.330 -2.529 7.685 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.116 -1.546 8.539 1.00 0.00 H new ATOM 1526 N GLU B 4 5.508 -3.678 10.985 1.00 0.00 N ATOM 1527 CA GLU B 4 4.941 -5.054 10.890 1.00 0.00 C ATOM 1528 C GLU B 4 3.562 -5.074 11.555 1.00 0.00 C ATOM 1529 O GLU B 4 2.596 -5.565 11.006 1.00 0.00 O ATOM 1530 CB GLU B 4 5.873 -6.047 11.598 1.00 0.00 C ATOM 1531 CG GLU B 4 7.059 -6.386 10.690 1.00 0.00 C ATOM 1532 CD GLU B 4 7.905 -5.134 10.459 1.00 0.00 C ATOM 1533 OE1 GLU B 4 7.549 -4.354 9.591 1.00 0.00 O ATOM 1534 OE2 GLU B 4 8.897 -4.976 11.152 1.00 0.00 O ATOM 0 H GLU B 4 6.443 -3.616 11.387 1.00 0.00 H new ATOM 0 HA GLU B 4 4.846 -5.341 9.843 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.231 -5.619 12.534 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.326 -6.955 11.851 1.00 0.00 H new ATOM 0 HG2 GLU B 4 7.666 -7.168 11.146 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.700 -6.775 9.737 1.00 0.00 H new ATOM 1541 N LYS B 5 3.475 -4.530 12.738 1.00 0.00 N ATOM 1542 CA LYS B 5 2.174 -4.493 13.463 1.00 0.00 C ATOM 1543 C LYS B 5 1.084 -3.950 12.539 1.00 0.00 C ATOM 1544 O LYS B 5 -0.022 -4.452 12.492 1.00 0.00 O ATOM 1545 CB LYS B 5 2.307 -3.557 14.668 1.00 0.00 C ATOM 1546 CG LYS B 5 3.284 -4.159 15.682 1.00 0.00 C ATOM 1547 CD LYS B 5 3.206 -3.376 16.994 1.00 0.00 C ATOM 1548 CE LYS B 5 4.335 -3.822 17.925 1.00 0.00 C ATOM 1549 NZ LYS B 5 5.624 -3.242 17.454 1.00 0.00 N ATOM 0 H LYS B 5 4.257 -4.106 13.237 1.00 0.00 H new ATOM 0 HA LYS B 5 1.910 -5.499 13.788 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.661 -2.579 14.344 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.333 -3.405 15.133 1.00 0.00 H new ATOM 0 HG2 LYS B 5 3.043 -5.207 15.857 1.00 0.00 H new ATOM 0 HG3 LYS B 5 4.300 -4.127 15.287 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.285 -2.307 16.797 1.00 0.00 H new ATOM 0 HD3 LYS B 5 2.240 -3.542 17.471 1.00 0.00 H new ATOM 0 HE2 LYS B 5 4.129 -3.498 18.945 1.00 0.00 H new ATOM 0 HE3 LYS B 5 4.398 -4.910 17.943 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.384 -3.503 18.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.846 -3.612 16.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 5.543 -2.206 17.411 1.00 0.00 H new ATOM 1563 N ALA B 6 1.398 -2.914 11.809 1.00 0.00 N ATOM 1564 CA ALA B 6 0.405 -2.300 10.882 1.00 0.00 C ATOM 1565 C ALA B 6 0.278 -3.134 9.601 1.00 0.00 C ATOM 1566 O ALA B 6 -0.779 -3.198 9.007 1.00 0.00 O ATOM 1567 CB ALA B 6 0.857 -0.874 10.539 1.00 0.00 C ATOM 0 H ALA B 6 2.312 -2.462 11.816 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.570 -2.271 11.367 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.136 -0.417 9.861 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.921 -0.283 11.453 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.835 -0.908 10.059 1.00 0.00 H new ATOM 1573 N MET B 7 1.322 -3.786 9.173 1.00 0.00 N ATOM 1574 CA MET B 7 1.198 -4.613 7.941 1.00 0.00 C ATOM 1575 C MET B 7 0.166 -5.714 8.216 1.00 0.00 C ATOM 1576 O MET B 7 -0.746 -5.948 7.441 1.00 0.00 O ATOM 1577 CB MET B 7 2.566 -5.231 7.594 1.00 0.00 C ATOM 1578 CG MET B 7 2.667 -5.477 6.082 1.00 0.00 C ATOM 1579 SD MET B 7 3.118 -3.928 5.253 1.00 0.00 S ATOM 1580 CE MET B 7 1.971 -4.045 3.857 1.00 0.00 C ATOM 0 H MET B 7 2.242 -3.784 9.614 1.00 0.00 H new ATOM 0 HA MET B 7 0.876 -4.004 7.096 1.00 0.00 H new ATOM 0 HB2 MET B 7 3.367 -4.565 7.916 1.00 0.00 H new ATOM 0 HB3 MET B 7 2.696 -6.170 8.132 1.00 0.00 H new ATOM 0 HG2 MET B 7 3.413 -6.244 5.876 1.00 0.00 H new ATOM 0 HG3 MET B 7 1.716 -5.846 5.697 1.00 0.00 H new ATOM 0 HE1 MET B 7 2.090 -3.173 3.214 1.00 0.00 H new ATOM 0 HE2 MET B 7 2.184 -4.949 3.286 1.00 0.00 H new ATOM 0 HE3 MET B 7 0.947 -4.084 4.229 1.00 0.00 H new ATOM 1590 N VAL B 8 0.299 -6.376 9.332 1.00 0.00 N ATOM 1591 CA VAL B 8 -0.665 -7.449 9.691 1.00 0.00 C ATOM 1592 C VAL B 8 -2.025 -6.819 9.997 1.00 0.00 C ATOM 1593 O VAL B 8 -3.060 -7.360 9.661 1.00 0.00 O ATOM 1594 CB VAL B 8 -0.149 -8.192 10.924 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -1.039 -9.406 11.199 1.00 0.00 C ATOM 1596 CG2 VAL B 8 1.288 -8.659 10.667 1.00 0.00 C ATOM 0 H VAL B 8 1.040 -6.217 10.014 1.00 0.00 H new ATOM 0 HA VAL B 8 -0.770 -8.150 8.863 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.169 -7.527 11.787 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.671 -9.935 12.078 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.062 -9.074 11.377 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -1.019 -10.074 10.338 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.660 -9.189 11.543 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.305 -9.326 9.805 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.922 -7.794 10.470 1.00 0.00 H new ATOM 1606 N ALA B 9 -2.032 -5.670 10.620 1.00 0.00 N ATOM 1607 CA ALA B 9 -3.327 -5.000 10.931 1.00 0.00 C ATOM 1608 C ALA B 9 -4.096 -4.790 9.626 1.00 0.00 C ATOM 1609 O ALA B 9 -5.267 -5.088 9.528 1.00 0.00 O ATOM 1610 CB ALA B 9 -3.052 -3.642 11.585 1.00 0.00 C ATOM 0 H ALA B 9 -1.198 -5.168 10.926 1.00 0.00 H new ATOM 0 HA ALA B 9 -3.912 -5.617 11.613 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.997 -3.150 11.813 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.488 -3.789 12.506 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.475 -3.019 10.902 1.00 0.00 H new ATOM 1616 N LEU B 10 -3.446 -4.271 8.625 1.00 0.00 N ATOM 1617 CA LEU B 10 -4.143 -4.035 7.327 1.00 0.00 C ATOM 1618 C LEU B 10 -4.927 -5.293 6.951 1.00 0.00 C ATOM 1619 O LEU B 10 -6.088 -5.236 6.595 1.00 0.00 O ATOM 1620 CB LEU B 10 -3.084 -3.748 6.240 1.00 0.00 C ATOM 1621 CG LEU B 10 -2.721 -2.245 6.226 1.00 0.00 C ATOM 1622 CD1 LEU B 10 -1.332 -2.053 5.608 1.00 0.00 C ATOM 1623 CD2 LEU B 10 -3.748 -1.456 5.398 1.00 0.00 C ATOM 0 H LEU B 10 -2.463 -3.999 8.646 1.00 0.00 H new ATOM 0 HA LEU B 10 -4.825 -3.189 7.412 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.190 -4.343 6.428 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.466 -4.046 5.263 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.725 -1.878 7.252 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.081 -0.992 5.600 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.593 -2.597 6.197 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.333 -2.433 4.586 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.480 -0.399 5.397 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.754 -1.830 4.374 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.739 -1.578 5.835 1.00 0.00 H new ATOM 1635 N ILE B 11 -4.296 -6.432 7.046 1.00 0.00 N ATOM 1636 CA ILE B 11 -5.003 -7.698 6.714 1.00 0.00 C ATOM 1637 C ILE B 11 -6.194 -7.846 7.661 1.00 0.00 C ATOM 1638 O ILE B 11 -7.285 -8.205 7.265 1.00 0.00 O ATOM 1639 CB ILE B 11 -4.049 -8.880 6.904 1.00 0.00 C ATOM 1640 CG1 ILE B 11 -2.755 -8.621 6.128 1.00 0.00 C ATOM 1641 CG2 ILE B 11 -4.708 -10.158 6.382 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -1.758 -9.748 6.406 1.00 0.00 C ATOM 0 H ILE B 11 -3.325 -6.539 7.338 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.345 -7.679 5.679 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.821 -8.995 7.964 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -2.965 -8.562 5.060 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.328 -7.662 6.422 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.028 -10.999 6.517 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.630 -10.344 6.934 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -4.936 -10.043 5.322 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.837 -9.563 5.853 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.540 -9.786 7.473 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.186 -10.699 6.090 1.00 0.00 H new ATOM 1654 N ASP B 12 -5.978 -7.563 8.918 1.00 0.00 N ATOM 1655 CA ASP B 12 -7.068 -7.671 9.925 1.00 0.00 C ATOM 1656 C ASP B 12 -8.321 -6.959 9.419 1.00 0.00 C ATOM 1657 O ASP B 12 -9.411 -7.495 9.444 1.00 0.00 O ATOM 1658 CB ASP B 12 -6.606 -6.989 11.225 1.00 0.00 C ATOM 1659 CG ASP B 12 -7.461 -7.477 12.399 1.00 0.00 C ATOM 1660 OD1 ASP B 12 -7.476 -8.673 12.638 1.00 0.00 O ATOM 1661 OD2 ASP B 12 -8.084 -6.646 13.038 1.00 0.00 O ATOM 0 H ASP B 12 -5.080 -7.258 9.292 1.00 0.00 H new ATOM 0 HA ASP B 12 -7.296 -8.723 10.100 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -5.555 -7.213 11.410 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -6.689 -5.906 11.128 1.00 0.00 H new ATOM 1666 N VAL B 13 -8.169 -5.735 8.983 1.00 0.00 N ATOM 1667 CA VAL B 13 -9.347 -4.960 8.502 1.00 0.00 C ATOM 1668 C VAL B 13 -9.772 -5.415 7.102 1.00 0.00 C ATOM 1669 O VAL B 13 -10.945 -5.401 6.783 1.00 0.00 O ATOM 1670 CB VAL B 13 -9.014 -3.466 8.497 1.00 0.00 C ATOM 1671 CG1 VAL B 13 -10.164 -2.682 7.861 1.00 0.00 C ATOM 1672 CG2 VAL B 13 -8.811 -2.989 9.938 1.00 0.00 C ATOM 0 H VAL B 13 -7.278 -5.240 8.940 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.181 -5.141 9.180 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.103 -3.300 7.921 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.923 -1.619 7.860 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.313 -3.022 6.836 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.077 -2.846 8.434 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.574 -1.925 9.939 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.724 -3.158 10.509 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -7.991 -3.544 10.393 1.00 0.00 H new ATOM 1682 N PHE B 14 -8.866 -5.810 6.254 1.00 0.00 N ATOM 1683 CA PHE B 14 -9.310 -6.237 4.897 1.00 0.00 C ATOM 1684 C PHE B 14 -10.242 -7.443 5.039 1.00 0.00 C ATOM 1685 O PHE B 14 -11.180 -7.614 4.284 1.00 0.00 O ATOM 1686 CB PHE B 14 -8.108 -6.617 4.031 1.00 0.00 C ATOM 1687 CG PHE B 14 -8.576 -6.865 2.614 1.00 0.00 C ATOM 1688 CD1 PHE B 14 -8.645 -5.803 1.704 1.00 0.00 C ATOM 1689 CD2 PHE B 14 -8.948 -8.155 2.212 1.00 0.00 C ATOM 1690 CE1 PHE B 14 -9.083 -6.030 0.393 1.00 0.00 C ATOM 1691 CE2 PHE B 14 -9.387 -8.382 0.899 1.00 0.00 C ATOM 1692 CZ PHE B 14 -9.454 -7.320 -0.010 1.00 0.00 C ATOM 0 H PHE B 14 -7.863 -5.856 6.432 1.00 0.00 H new ATOM 0 HA PHE B 14 -9.833 -5.411 4.415 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -7.366 -5.819 4.047 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -7.625 -7.510 4.429 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -8.360 -4.808 2.013 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -8.897 -8.975 2.913 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -9.135 -5.210 -0.308 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -9.673 -9.376 0.590 1.00 0.00 H new ATOM 0 HZ PHE B 14 -9.791 -7.494 -1.021 1.00 0.00 H new ATOM 1702 N HIS B 15 -9.981 -8.283 6.005 1.00 0.00 N ATOM 1703 CA HIS B 15 -10.835 -9.487 6.207 1.00 0.00 C ATOM 1704 C HIS B 15 -12.102 -9.109 6.978 1.00 0.00 C ATOM 1705 O HIS B 15 -13.151 -9.695 6.796 1.00 0.00 O ATOM 1706 CB HIS B 15 -10.052 -10.536 7.001 1.00 0.00 C ATOM 1707 CG HIS B 15 -10.789 -11.846 6.966 1.00 0.00 C ATOM 1708 ND1 HIS B 15 -11.861 -12.113 7.804 1.00 0.00 N ATOM 1709 CD2 HIS B 15 -10.621 -12.973 6.202 1.00 0.00 C ATOM 1710 CE1 HIS B 15 -12.292 -13.357 7.526 1.00 0.00 C ATOM 1711 NE2 HIS B 15 -11.571 -13.927 6.557 1.00 0.00 N ATOM 0 H HIS B 15 -9.209 -8.186 6.665 1.00 0.00 H new ATOM 0 HA HIS B 15 -11.116 -9.892 5.235 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -9.054 -10.657 6.579 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -9.924 -10.206 8.032 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -9.866 -13.101 5.440 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -13.121 -13.836 8.026 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -11.691 -14.860 6.162 1.00 0.00 H new ATOM 1719 N GLN B 16 -12.006 -8.146 7.857 1.00 0.00 N ATOM 1720 CA GLN B 16 -13.197 -7.743 8.660 1.00 0.00 C ATOM 1721 C GLN B 16 -14.362 -7.414 7.727 1.00 0.00 C ATOM 1722 O GLN B 16 -15.480 -7.838 7.948 1.00 0.00 O ATOM 1723 CB GLN B 16 -12.848 -6.517 9.511 1.00 0.00 C ATOM 1724 CG GLN B 16 -14.027 -6.150 10.419 1.00 0.00 C ATOM 1725 CD GLN B 16 -14.293 -7.287 11.409 1.00 0.00 C ATOM 1726 OE1 GLN B 16 -13.680 -7.353 12.455 1.00 0.00 O ATOM 1727 NE2 GLN B 16 -15.189 -8.191 11.120 1.00 0.00 N ATOM 0 H GLN B 16 -11.154 -7.621 8.053 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.488 -8.565 9.314 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -11.965 -6.724 10.115 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -12.601 -5.675 8.865 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.809 -5.229 10.959 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -14.917 -5.964 9.818 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -15.704 -8.136 10.241 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -15.374 -8.953 11.773 1.00 0.00 H new ATOM 1736 N TYR B 17 -14.121 -6.662 6.689 1.00 0.00 N ATOM 1737 CA TYR B 17 -15.225 -6.312 5.755 1.00 0.00 C ATOM 1738 C TYR B 17 -15.616 -7.552 4.952 1.00 0.00 C ATOM 1739 O TYR B 17 -16.780 -7.876 4.821 1.00 0.00 O ATOM 1740 CB TYR B 17 -14.756 -5.206 4.799 1.00 0.00 C ATOM 1741 CG TYR B 17 -14.782 -3.870 5.511 1.00 0.00 C ATOM 1742 CD1 TYR B 17 -13.937 -3.645 6.605 1.00 0.00 C ATOM 1743 CD2 TYR B 17 -15.651 -2.857 5.080 1.00 0.00 C ATOM 1744 CE1 TYR B 17 -13.960 -2.412 7.267 1.00 0.00 C ATOM 1745 CE2 TYR B 17 -15.672 -1.624 5.742 1.00 0.00 C ATOM 1746 CZ TYR B 17 -14.827 -1.401 6.835 1.00 0.00 C ATOM 1747 OH TYR B 17 -14.850 -0.186 7.488 1.00 0.00 O ATOM 0 H TYR B 17 -13.208 -6.276 6.448 1.00 0.00 H new ATOM 0 HA TYR B 17 -16.086 -5.957 6.321 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -13.747 -5.421 4.446 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -15.401 -5.173 3.921 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -13.267 -4.424 6.938 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -16.304 -3.028 4.237 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.309 -2.240 8.111 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -16.341 -0.844 5.409 1.00 0.00 H new ATOM 0 HH TYR B 17 -13.952 0.206 7.481 1.00 0.00 H new ATOM 1757 N SER B 18 -14.650 -8.245 4.407 1.00 0.00 N ATOM 1758 CA SER B 18 -14.954 -9.468 3.603 1.00 0.00 C ATOM 1759 C SER B 18 -14.725 -10.723 4.449 1.00 0.00 C ATOM 1760 O SER B 18 -13.917 -11.563 4.106 1.00 0.00 O ATOM 1761 CB SER B 18 -14.033 -9.507 2.383 1.00 0.00 C ATOM 1762 OG SER B 18 -12.680 -9.447 2.815 1.00 0.00 O ATOM 0 H SER B 18 -13.659 -8.016 4.484 1.00 0.00 H new ATOM 0 HA SER B 18 -15.996 -9.438 3.284 1.00 0.00 H new ATOM 0 HB2 SER B 18 -14.205 -10.420 1.812 1.00 0.00 H new ATOM 0 HB3 SER B 18 -14.253 -8.670 1.720 1.00 0.00 H new ATOM 0 HG SER B 18 -12.496 -8.562 3.193 1.00 0.00 H new ATOM 1768 N GLY B 19 -15.445 -10.873 5.539 1.00 0.00 N ATOM 1769 CA GLY B 19 -15.293 -12.092 6.403 1.00 0.00 C ATOM 1770 C GLY B 19 -16.650 -12.794 6.481 1.00 0.00 C ATOM 1771 O GLY B 19 -16.750 -13.934 6.891 1.00 0.00 O ATOM 0 H GLY B 19 -16.136 -10.199 5.869 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -14.542 -12.762 5.986 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -14.952 -11.812 7.400 1.00 0.00 H new ATOM 1775 N ARG B 20 -17.690 -12.131 6.057 1.00 0.00 N ATOM 1776 CA ARG B 20 -19.042 -12.759 6.066 1.00 0.00 C ATOM 1777 C ARG B 20 -19.058 -13.917 5.070 1.00 0.00 C ATOM 1778 O ARG B 20 -19.755 -14.891 5.273 1.00 0.00 O ATOM 1779 CB ARG B 20 -20.109 -11.726 5.693 1.00 0.00 C ATOM 1780 CG ARG B 20 -20.386 -10.821 6.894 1.00 0.00 C ATOM 1781 CD ARG B 20 -21.320 -9.684 6.474 1.00 0.00 C ATOM 1782 NE ARG B 20 -22.341 -10.205 5.521 1.00 0.00 N ATOM 1783 CZ ARG B 20 -23.053 -9.374 4.809 1.00 0.00 C ATOM 1784 NH1 ARG B 20 -22.543 -8.233 4.432 1.00 0.00 N ATOM 1785 NH2 ARG B 20 -24.275 -9.684 4.473 1.00 0.00 N ATOM 0 H ARG B 20 -17.662 -11.175 5.702 1.00 0.00 H new ATOM 0 HA ARG B 20 -19.263 -13.133 7.065 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -19.772 -11.130 4.845 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -21.025 -12.229 5.385 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -20.839 -11.398 7.700 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.451 -10.414 7.279 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -21.809 -9.258 7.350 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -20.747 -8.882 6.008 1.00 0.00 H new ATOM 0 HE ARG B 20 -22.483 -11.210 5.425 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -21.588 -7.990 4.694 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -23.100 -7.584 3.876 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -24.674 -10.576 4.767 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -24.831 -9.035 3.917 1.00 0.00 H new ATOM 1799 N GLU B 21 -18.282 -13.861 4.019 1.00 0.00 N ATOM 1800 CA GLU B 21 -18.261 -15.017 3.068 1.00 0.00 C ATOM 1801 C GLU B 21 -16.866 -15.153 2.461 1.00 0.00 C ATOM 1802 O GLU B 21 -16.320 -16.236 2.392 1.00 0.00 O ATOM 1803 CB GLU B 21 -19.296 -14.802 1.960 1.00 0.00 C ATOM 1804 CG GLU B 21 -19.025 -13.473 1.250 1.00 0.00 C ATOM 1805 CD GLU B 21 -20.236 -13.091 0.396 1.00 0.00 C ATOM 1806 OE1 GLU B 21 -21.344 -13.404 0.800 1.00 0.00 O ATOM 1807 OE2 GLU B 21 -20.034 -12.493 -0.648 1.00 0.00 O ATOM 0 H GLU B 21 -17.671 -13.080 3.779 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.509 -15.931 3.607 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -19.252 -15.623 1.244 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.301 -14.801 2.383 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -18.823 -12.692 1.983 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -18.138 -13.558 0.623 1.00 0.00 H new ATOM 1814 N GLY B 22 -16.276 -14.069 2.029 1.00 0.00 N ATOM 1815 CA GLY B 22 -14.908 -14.143 1.435 1.00 0.00 C ATOM 1816 C GLY B 22 -14.827 -15.327 0.471 1.00 0.00 C ATOM 1817 O GLY B 22 -13.753 -15.777 0.122 1.00 0.00 O ATOM 0 H GLY B 22 -16.683 -13.134 2.062 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -14.679 -13.217 0.908 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -14.164 -14.253 2.224 1.00 0.00 H new ATOM 1821 N ASP B 23 -15.949 -15.837 0.033 1.00 0.00 N ATOM 1822 CA ASP B 23 -15.917 -16.991 -0.914 1.00 0.00 C ATOM 1823 C ASP B 23 -14.926 -16.667 -2.032 1.00 0.00 C ATOM 1824 O ASP B 23 -13.995 -17.406 -2.286 1.00 0.00 O ATOM 1825 CB ASP B 23 -17.311 -17.208 -1.508 1.00 0.00 C ATOM 1826 CG ASP B 23 -18.290 -17.580 -0.394 1.00 0.00 C ATOM 1827 OD1 ASP B 23 -17.829 -17.924 0.682 1.00 0.00 O ATOM 1828 OD2 ASP B 23 -19.484 -17.516 -0.636 1.00 0.00 O ATOM 0 H ASP B 23 -16.880 -15.507 0.288 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.612 -17.898 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -17.647 -16.303 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -17.279 -17.999 -2.257 1.00 0.00 H new ATOM 1833 N LYS B 24 -15.098 -15.545 -2.677 1.00 0.00 N ATOM 1834 CA LYS B 24 -14.147 -15.141 -3.750 1.00 0.00 C ATOM 1835 C LYS B 24 -13.035 -14.306 -3.108 1.00 0.00 C ATOM 1836 O LYS B 24 -13.042 -14.059 -1.919 1.00 0.00 O ATOM 1837 CB LYS B 24 -14.880 -14.305 -4.801 1.00 0.00 C ATOM 1838 CG LYS B 24 -16.195 -14.992 -5.181 1.00 0.00 C ATOM 1839 CD LYS B 24 -15.920 -16.437 -5.613 1.00 0.00 C ATOM 1840 CE LYS B 24 -17.124 -16.983 -6.384 1.00 0.00 C ATOM 1841 NZ LYS B 24 -18.347 -16.874 -5.539 1.00 0.00 N ATOM 0 H LYS B 24 -15.860 -14.889 -2.506 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.727 -16.022 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -15.079 -13.307 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -14.253 -14.183 -5.685 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -16.880 -14.980 -4.333 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -16.680 -14.447 -5.991 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -15.028 -16.476 -6.238 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -15.724 -17.057 -4.738 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -17.259 -16.426 -7.311 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -16.951 -18.023 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -19.086 -17.502 -5.915 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -18.120 -17.152 -4.563 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -18.689 -15.892 -5.549 1.00 0.00 H new ATOM 1855 N HIS B 25 -12.093 -13.852 -3.893 1.00 0.00 N ATOM 1856 CA HIS B 25 -10.981 -13.007 -3.352 1.00 0.00 C ATOM 1857 C HIS B 25 -10.816 -11.798 -4.272 1.00 0.00 C ATOM 1858 O HIS B 25 -9.718 -11.430 -4.642 1.00 0.00 O ATOM 1859 CB HIS B 25 -9.685 -13.820 -3.330 1.00 0.00 C ATOM 1860 CG HIS B 25 -9.766 -14.858 -2.244 1.00 0.00 C ATOM 1861 ND1 HIS B 25 -10.487 -14.653 -1.079 1.00 0.00 N ATOM 1862 CD2 HIS B 25 -9.222 -16.114 -2.133 1.00 0.00 C ATOM 1863 CE1 HIS B 25 -10.359 -15.758 -0.322 1.00 0.00 C ATOM 1864 NE2 HIS B 25 -9.598 -16.681 -0.918 1.00 0.00 N ATOM 0 H HIS B 25 -12.044 -14.031 -4.896 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.208 -12.681 -2.337 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.527 -14.300 -4.296 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.833 -13.163 -3.157 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.598 -16.590 -2.875 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.815 -15.884 0.649 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -9.347 -17.602 -0.560 1.00 0.00 H new ATOM 1872 N LYS B 26 -11.909 -11.177 -4.638 1.00 0.00 N ATOM 1873 CA LYS B 26 -11.846 -9.981 -5.532 1.00 0.00 C ATOM 1874 C LYS B 26 -12.817 -8.912 -5.022 1.00 0.00 C ATOM 1875 O LYS B 26 -13.836 -9.224 -4.438 1.00 0.00 O ATOM 1876 CB LYS B 26 -12.241 -10.394 -6.952 1.00 0.00 C ATOM 1877 CG LYS B 26 -11.514 -11.691 -7.327 1.00 0.00 C ATOM 1878 CD LYS B 26 -11.572 -11.894 -8.843 1.00 0.00 C ATOM 1879 CE LYS B 26 -10.801 -13.161 -9.218 1.00 0.00 C ATOM 1880 NZ LYS B 26 -9.349 -12.960 -8.944 1.00 0.00 N ATOM 0 H LYS B 26 -12.850 -11.450 -4.353 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.833 -9.578 -5.536 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -13.320 -10.538 -7.014 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -11.984 -9.603 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.477 -11.647 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.975 -12.538 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -12.608 -11.976 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -11.144 -11.031 -9.353 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.176 -14.010 -8.646 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.954 -13.394 -10.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -8.795 -13.660 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -9.070 -12.002 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -9.168 -13.078 -7.927 1.00 0.00 H new ATOM 1894 N LEU B 27 -12.516 -7.655 -5.246 1.00 0.00 N ATOM 1895 CA LEU B 27 -13.426 -6.552 -4.785 1.00 0.00 C ATOM 1896 C LEU B 27 -13.920 -5.774 -6.007 1.00 0.00 C ATOM 1897 O LEU B 27 -13.190 -5.557 -6.952 1.00 0.00 O ATOM 1898 CB LEU B 27 -12.651 -5.602 -3.856 1.00 0.00 C ATOM 1899 CG LEU B 27 -12.627 -6.159 -2.420 1.00 0.00 C ATOM 1900 CD1 LEU B 27 -11.538 -5.435 -1.623 1.00 0.00 C ATOM 1901 CD2 LEU B 27 -13.989 -5.946 -1.728 1.00 0.00 C ATOM 0 H LEU B 27 -11.675 -7.342 -5.731 1.00 0.00 H new ATOM 0 HA LEU B 27 -14.274 -6.974 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -11.632 -5.476 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -13.116 -4.616 -3.863 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.421 -7.229 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -11.514 -5.823 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -10.570 -5.599 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -11.754 -4.367 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -13.949 -6.347 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -14.214 -4.880 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -14.768 -6.460 -2.291 1.00 0.00 H new ATOM 1913 N LYS B 28 -15.158 -5.352 -5.998 1.00 0.00 N ATOM 1914 CA LYS B 28 -15.697 -4.586 -7.161 1.00 0.00 C ATOM 1915 C LYS B 28 -15.526 -3.088 -6.902 1.00 0.00 C ATOM 1916 O LYS B 28 -15.559 -2.638 -5.773 1.00 0.00 O ATOM 1917 CB LYS B 28 -17.184 -4.910 -7.339 1.00 0.00 C ATOM 1918 CG LYS B 28 -17.341 -6.354 -7.833 1.00 0.00 C ATOM 1919 CD LYS B 28 -18.774 -6.835 -7.580 1.00 0.00 C ATOM 1920 CE LYS B 28 -19.760 -5.935 -8.328 1.00 0.00 C ATOM 1921 NZ LYS B 28 -19.293 -5.742 -9.730 1.00 0.00 N ATOM 0 H LYS B 28 -15.819 -5.505 -5.236 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.156 -4.863 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.711 -4.779 -6.394 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.634 -4.220 -8.053 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -17.111 -6.411 -8.897 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.633 -7.003 -7.318 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -18.885 -7.867 -7.912 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -18.990 -6.819 -6.512 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -20.754 -6.383 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -19.843 -4.971 -7.825 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -20.110 -5.551 -10.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -18.634 -4.938 -9.769 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -18.808 -6.603 -10.056 1.00 0.00 H new ATOM 1935 N LYS B 29 -15.350 -2.309 -7.932 1.00 0.00 N ATOM 1936 CA LYS B 29 -15.185 -0.842 -7.734 1.00 0.00 C ATOM 1937 C LYS B 29 -16.371 -0.291 -6.933 1.00 0.00 C ATOM 1938 O LYS B 29 -16.219 0.578 -6.097 1.00 0.00 O ATOM 1939 CB LYS B 29 -15.090 -0.141 -9.105 1.00 0.00 C ATOM 1940 CG LYS B 29 -16.405 -0.244 -9.903 1.00 0.00 C ATOM 1941 CD LYS B 29 -16.700 -1.708 -10.271 1.00 0.00 C ATOM 1942 CE LYS B 29 -17.630 -1.760 -11.487 1.00 0.00 C ATOM 1943 NZ LYS B 29 -17.881 -3.180 -11.862 1.00 0.00 N ATOM 0 H LYS B 29 -15.313 -2.624 -8.901 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.268 -0.651 -7.177 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.837 0.909 -8.958 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.280 -0.586 -9.683 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.227 0.162 -9.314 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.335 0.358 -10.809 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.770 -2.232 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.162 -2.219 -9.426 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.572 -1.261 -11.259 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.181 -1.226 -12.324 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -18.212 -3.226 -12.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.000 -3.725 -11.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.606 -3.582 -11.234 1.00 0.00 H new ATOM 1957 N SER B 30 -17.550 -0.780 -7.194 1.00 0.00 N ATOM 1958 CA SER B 30 -18.752 -0.282 -6.467 1.00 0.00 C ATOM 1959 C SER B 30 -18.626 -0.559 -4.966 1.00 0.00 C ATOM 1960 O SER B 30 -18.897 0.297 -4.138 1.00 0.00 O ATOM 1961 CB SER B 30 -19.993 -0.995 -7.004 1.00 0.00 C ATOM 1962 OG SER B 30 -19.894 -2.385 -6.724 1.00 0.00 O ATOM 0 H SER B 30 -17.735 -1.508 -7.884 1.00 0.00 H new ATOM 0 HA SER B 30 -18.836 0.794 -6.622 1.00 0.00 H new ATOM 0 HB2 SER B 30 -20.891 -0.583 -6.544 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.083 -0.834 -8.078 1.00 0.00 H new ATOM 0 HG SER B 30 -20.689 -2.845 -7.066 1.00 0.00 H new ATOM 1968 N GLU B 31 -18.210 -1.744 -4.599 1.00 0.00 N ATOM 1969 CA GLU B 31 -18.081 -2.050 -3.143 1.00 0.00 C ATOM 1970 C GLU B 31 -16.769 -1.461 -2.635 1.00 0.00 C ATOM 1971 O GLU B 31 -16.685 -0.957 -1.533 1.00 0.00 O ATOM 1972 CB GLU B 31 -18.108 -3.562 -2.912 1.00 0.00 C ATOM 1973 CG GLU B 31 -19.416 -4.140 -3.456 1.00 0.00 C ATOM 1974 CD GLU B 31 -20.566 -3.771 -2.518 1.00 0.00 C ATOM 1975 OE1 GLU B 31 -20.659 -4.373 -1.461 1.00 0.00 O ATOM 1976 OE2 GLU B 31 -21.335 -2.893 -2.872 1.00 0.00 O ATOM 0 H GLU B 31 -17.958 -2.502 -5.233 1.00 0.00 H new ATOM 0 HA GLU B 31 -18.918 -1.610 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -17.258 -4.031 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -18.017 -3.779 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -19.609 -3.752 -4.456 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -19.338 -5.224 -3.544 1.00 0.00 H new ATOM 1983 N LEU B 32 -15.746 -1.502 -3.446 1.00 0.00 N ATOM 1984 CA LEU B 32 -14.444 -0.924 -3.023 1.00 0.00 C ATOM 1985 C LEU B 32 -14.655 0.558 -2.726 1.00 0.00 C ATOM 1986 O LEU B 32 -14.155 1.072 -1.748 1.00 0.00 O ATOM 1987 CB LEU B 32 -13.409 -1.101 -4.139 1.00 0.00 C ATOM 1988 CG LEU B 32 -11.996 -0.792 -3.612 1.00 0.00 C ATOM 1989 CD1 LEU B 32 -11.435 -1.994 -2.838 1.00 0.00 C ATOM 1990 CD2 LEU B 32 -11.070 -0.483 -4.794 1.00 0.00 C ATOM 0 H LEU B 32 -15.758 -1.910 -4.381 1.00 0.00 H new ATOM 0 HA LEU B 32 -14.075 -1.432 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.447 -2.121 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -13.646 -0.440 -4.972 1.00 0.00 H new ATOM 0 HG LEU B 32 -12.052 0.067 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.436 -1.757 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -12.086 -2.219 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -11.385 -2.860 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.068 -0.264 -4.424 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -11.030 -1.345 -5.460 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -11.452 0.380 -5.340 1.00 0.00 H new ATOM 2002 N LYS B 33 -15.385 1.260 -3.549 1.00 0.00 N ATOM 2003 CA LYS B 33 -15.597 2.706 -3.276 1.00 0.00 C ATOM 2004 C LYS B 33 -16.113 2.866 -1.849 1.00 0.00 C ATOM 2005 O LYS B 33 -15.545 3.583 -1.049 1.00 0.00 O ATOM 2006 CB LYS B 33 -16.620 3.272 -4.265 1.00 0.00 C ATOM 2007 CG LYS B 33 -16.962 4.714 -3.882 1.00 0.00 C ATOM 2008 CD LYS B 33 -17.660 5.409 -5.057 1.00 0.00 C ATOM 2009 CE LYS B 33 -18.968 4.683 -5.396 1.00 0.00 C ATOM 2010 NZ LYS B 33 -18.677 3.518 -6.279 1.00 0.00 N ATOM 0 H LYS B 33 -15.838 0.899 -4.388 1.00 0.00 H new ATOM 0 HA LYS B 33 -14.658 3.248 -3.391 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.218 3.240 -5.278 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.522 2.660 -4.260 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -17.609 4.724 -3.005 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -16.054 5.255 -3.615 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -17.867 6.449 -4.804 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -17.003 5.417 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -19.457 4.346 -4.482 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -19.657 5.366 -5.893 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -19.353 3.504 -7.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -17.710 3.598 -6.652 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -18.765 2.638 -5.732 1.00 0.00 H new ATOM 2024 N GLU B 34 -17.193 2.210 -1.525 1.00 0.00 N ATOM 2025 CA GLU B 34 -17.744 2.339 -0.142 1.00 0.00 C ATOM 2026 C GLU B 34 -16.611 2.159 0.880 1.00 0.00 C ATOM 2027 O GLU B 34 -16.595 2.796 1.915 1.00 0.00 O ATOM 2028 CB GLU B 34 -18.814 1.268 0.086 1.00 0.00 C ATOM 2029 CG GLU B 34 -19.579 1.575 1.375 1.00 0.00 C ATOM 2030 CD GLU B 34 -20.526 2.752 1.138 1.00 0.00 C ATOM 2031 OE1 GLU B 34 -21.626 2.517 0.666 1.00 0.00 O ATOM 2032 OE2 GLU B 34 -20.135 3.870 1.433 1.00 0.00 O ATOM 0 H GLU B 34 -17.715 1.595 -2.149 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.189 3.326 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.502 1.240 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -18.350 0.284 0.152 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -20.144 0.699 1.693 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -18.880 1.812 2.177 1.00 0.00 H new ATOM 2039 N LEU B 35 -15.664 1.303 0.604 1.00 0.00 N ATOM 2040 CA LEU B 35 -14.538 1.096 1.567 1.00 0.00 C ATOM 2041 C LEU B 35 -13.678 2.365 1.645 1.00 0.00 C ATOM 2042 O LEU B 35 -13.236 2.750 2.710 1.00 0.00 O ATOM 2043 CB LEU B 35 -13.683 -0.094 1.114 1.00 0.00 C ATOM 2044 CG LEU B 35 -12.597 -0.402 2.156 1.00 0.00 C ATOM 2045 CD1 LEU B 35 -13.233 -0.888 3.473 1.00 0.00 C ATOM 2046 CD2 LEU B 35 -11.671 -1.489 1.598 1.00 0.00 C ATOM 0 H LEU B 35 -15.619 0.738 -0.244 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.945 0.885 2.556 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -14.315 -0.970 0.969 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.220 0.128 0.152 1.00 0.00 H new ATOM 0 HG LEU B 35 -12.029 0.505 2.363 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -12.448 -1.101 4.199 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -13.891 -0.113 3.867 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -13.810 -1.794 3.286 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -10.895 -1.717 2.329 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -12.250 -2.389 1.391 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -11.209 -1.135 0.677 1.00 0.00 H new ATOM 2058 N ILE B 36 -13.448 3.033 0.548 1.00 0.00 N ATOM 2059 CA ILE B 36 -12.634 4.285 0.590 1.00 0.00 C ATOM 2060 C ILE B 36 -13.309 5.307 1.510 1.00 0.00 C ATOM 2061 O ILE B 36 -12.659 6.109 2.151 1.00 0.00 O ATOM 2062 CB ILE B 36 -12.554 4.869 -0.824 1.00 0.00 C ATOM 2063 CG1 ILE B 36 -12.090 3.776 -1.792 1.00 0.00 C ATOM 2064 CG2 ILE B 36 -11.550 6.028 -0.849 1.00 0.00 C ATOM 2065 CD1 ILE B 36 -11.854 4.376 -3.179 1.00 0.00 C ATOM 0 H ILE B 36 -13.788 2.768 -0.376 1.00 0.00 H new ATOM 0 HA ILE B 36 -11.636 4.060 0.965 1.00 0.00 H new ATOM 0 HB ILE B 36 -13.536 5.237 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.172 3.317 -1.424 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.840 2.987 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -11.496 6.441 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -11.873 6.804 -0.156 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -10.566 5.664 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -11.524 3.594 -3.863 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -12.781 4.814 -3.549 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.088 5.149 -3.116 1.00 0.00 H new ATOM 2077 N ASN B 37 -14.612 5.310 1.542 1.00 0.00 N ATOM 2078 CA ASN B 37 -15.350 6.306 2.372 1.00 0.00 C ATOM 2079 C ASN B 37 -15.105 6.097 3.872 1.00 0.00 C ATOM 2080 O ASN B 37 -14.722 7.010 4.576 1.00 0.00 O ATOM 2081 CB ASN B 37 -16.848 6.169 2.093 1.00 0.00 C ATOM 2082 CG ASN B 37 -17.616 7.218 2.897 1.00 0.00 C ATOM 2083 OD1 ASN B 37 -18.124 8.173 2.344 1.00 0.00 O ATOM 2084 ND2 ASN B 37 -17.724 7.081 4.191 1.00 0.00 N ATOM 0 H ASN B 37 -15.204 4.660 1.025 1.00 0.00 H new ATOM 0 HA ASN B 37 -14.989 7.300 2.106 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -17.043 6.297 1.028 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -17.188 5.169 2.362 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -18.235 7.775 4.737 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -17.298 6.280 4.656 1.00 0.00 H new ATOM 2091 N ASN B 38 -15.367 4.922 4.377 1.00 0.00 N ATOM 2092 CA ASN B 38 -15.198 4.682 5.844 1.00 0.00 C ATOM 2093 C ASN B 38 -13.737 4.392 6.211 1.00 0.00 C ATOM 2094 O ASN B 38 -13.448 4.068 7.346 1.00 0.00 O ATOM 2095 CB ASN B 38 -16.067 3.494 6.260 1.00 0.00 C ATOM 2096 CG ASN B 38 -16.211 3.471 7.783 1.00 0.00 C ATOM 2097 OD1 ASN B 38 -16.380 4.501 8.404 1.00 0.00 O ATOM 2098 ND2 ASN B 38 -16.150 2.331 8.414 1.00 0.00 N ATOM 0 H ASN B 38 -15.690 4.117 3.840 1.00 0.00 H new ATOM 0 HA ASN B 38 -15.503 5.586 6.371 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -17.049 3.568 5.793 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.618 2.563 5.913 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -16.244 2.304 9.429 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -16.008 1.466 7.892 1.00 0.00 H new ATOM 2105 N GLU B 39 -12.815 4.490 5.281 1.00 0.00 N ATOM 2106 CA GLU B 39 -11.375 4.200 5.611 1.00 0.00 C ATOM 2107 C GLU B 39 -10.492 5.409 5.290 1.00 0.00 C ATOM 2108 O GLU B 39 -9.457 5.594 5.899 1.00 0.00 O ATOM 2109 CB GLU B 39 -10.901 3.002 4.783 1.00 0.00 C ATOM 2110 CG GLU B 39 -11.654 1.743 5.221 1.00 0.00 C ATOM 2111 CD GLU B 39 -11.247 1.369 6.648 1.00 0.00 C ATOM 2112 OE1 GLU B 39 -10.233 1.870 7.103 1.00 0.00 O ATOM 2113 OE2 GLU B 39 -11.957 0.589 7.260 1.00 0.00 O ATOM 0 H GLU B 39 -12.992 4.756 4.313 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.298 3.980 6.676 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.072 3.190 3.723 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.828 2.860 4.913 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.729 1.915 5.173 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.432 0.920 4.542 1.00 0.00 H new ATOM 2120 N LEU B 40 -10.887 6.237 4.353 1.00 0.00 N ATOM 2121 CA LEU B 40 -10.064 7.445 4.001 1.00 0.00 C ATOM 2122 C LEU B 40 -10.885 8.713 4.274 1.00 0.00 C ATOM 2123 O LEU B 40 -10.639 9.761 3.711 1.00 0.00 O ATOM 2124 CB LEU B 40 -9.669 7.373 2.509 1.00 0.00 C ATOM 2125 CG LEU B 40 -8.276 6.734 2.350 1.00 0.00 C ATOM 2126 CD1 LEU B 40 -8.208 5.397 3.112 1.00 0.00 C ATOM 2127 CD2 LEU B 40 -8.000 6.498 0.861 1.00 0.00 C ATOM 0 H LEU B 40 -11.746 6.131 3.813 1.00 0.00 H new ATOM 0 HA LEU B 40 -9.159 7.471 4.607 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.408 6.790 1.959 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.668 8.374 2.078 1.00 0.00 H new ATOM 0 HG LEU B 40 -7.524 7.406 2.763 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -7.218 4.958 2.990 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -8.399 5.572 4.171 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.959 4.714 2.715 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.016 6.046 0.741 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.758 5.831 0.452 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -8.030 7.450 0.330 1.00 0.00 H new ATOM 2139 N SER B 41 -11.853 8.619 5.145 1.00 0.00 N ATOM 2140 CA SER B 41 -12.690 9.807 5.474 1.00 0.00 C ATOM 2141 C SER B 41 -11.871 10.797 6.307 1.00 0.00 C ATOM 2142 O SER B 41 -12.106 11.989 6.273 1.00 0.00 O ATOM 2143 CB SER B 41 -13.914 9.358 6.279 1.00 0.00 C ATOM 2144 OG SER B 41 -14.315 10.406 7.153 1.00 0.00 O ATOM 0 H SER B 41 -12.101 7.765 5.645 1.00 0.00 H new ATOM 0 HA SER B 41 -13.014 10.289 4.552 1.00 0.00 H new ATOM 0 HB2 SER B 41 -14.731 9.099 5.605 1.00 0.00 H new ATOM 0 HB3 SER B 41 -13.677 8.462 6.853 1.00 0.00 H new ATOM 0 HG SER B 41 -15.099 10.121 7.668 1.00 0.00 H new ATOM 2150 N HIS B 42 -10.911 10.321 7.051 1.00 0.00 N ATOM 2151 CA HIS B 42 -10.083 11.246 7.876 1.00 0.00 C ATOM 2152 C HIS B 42 -9.123 12.019 6.969 1.00 0.00 C ATOM 2153 O HIS B 42 -9.025 13.228 7.038 1.00 0.00 O ATOM 2154 CB HIS B 42 -9.282 10.438 8.900 1.00 0.00 C ATOM 2155 CG HIS B 42 -10.205 9.938 9.978 1.00 0.00 C ATOM 2156 ND1 HIS B 42 -11.328 9.177 9.694 1.00 0.00 N ATOM 2157 CD2 HIS B 42 -10.185 10.083 11.343 1.00 0.00 C ATOM 2158 CE1 HIS B 42 -11.933 8.895 10.863 1.00 0.00 C ATOM 2159 NE2 HIS B 42 -11.277 9.424 11.900 1.00 0.00 N ATOM 0 H HIS B 42 -10.664 9.334 7.124 1.00 0.00 H new ATOM 0 HA HIS B 42 -10.733 11.949 8.397 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -8.789 9.598 8.411 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -8.499 11.058 9.336 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -9.436 10.626 11.900 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -12.838 8.312 10.952 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -11.524 9.359 12.888 1.00 0.00 H new ATOM 2167 N PHE B 43 -8.413 11.329 6.118 1.00 0.00 N ATOM 2168 CA PHE B 43 -7.461 12.023 5.206 1.00 0.00 C ATOM 2169 C PHE B 43 -8.239 12.939 4.260 1.00 0.00 C ATOM 2170 O PHE B 43 -7.687 13.832 3.648 1.00 0.00 O ATOM 2171 CB PHE B 43 -6.691 10.985 4.388 1.00 0.00 C ATOM 2172 CG PHE B 43 -5.746 10.228 5.291 1.00 0.00 C ATOM 2173 CD1 PHE B 43 -4.535 10.811 5.682 1.00 0.00 C ATOM 2174 CD2 PHE B 43 -6.080 8.943 5.737 1.00 0.00 C ATOM 2175 CE1 PHE B 43 -3.658 10.111 6.519 1.00 0.00 C ATOM 2176 CE2 PHE B 43 -5.202 8.242 6.574 1.00 0.00 C ATOM 2177 CZ PHE B 43 -3.991 8.826 6.964 1.00 0.00 C ATOM 0 H PHE B 43 -8.451 10.315 6.015 1.00 0.00 H new ATOM 0 HA PHE B 43 -6.761 12.616 5.794 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.386 10.294 3.911 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.133 11.476 3.591 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -4.277 11.802 5.338 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -7.014 8.493 5.436 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -2.725 10.562 6.821 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -5.459 7.251 6.918 1.00 0.00 H new ATOM 0 HZ PHE B 43 -3.314 8.285 7.608 1.00 0.00 H new ATOM 2187 N LEU B 44 -9.515 12.707 4.121 1.00 0.00 N ATOM 2188 CA LEU B 44 -10.332 13.543 3.197 1.00 0.00 C ATOM 2189 C LEU B 44 -10.058 15.027 3.443 1.00 0.00 C ATOM 2190 O LEU B 44 -9.775 15.775 2.529 1.00 0.00 O ATOM 2191 CB LEU B 44 -11.819 13.256 3.437 1.00 0.00 C ATOM 2192 CG LEU B 44 -12.674 13.916 2.335 1.00 0.00 C ATOM 2193 CD1 LEU B 44 -12.731 13.017 1.094 1.00 0.00 C ATOM 2194 CD2 LEU B 44 -14.098 14.137 2.854 1.00 0.00 C ATOM 0 H LEU B 44 -10.028 11.973 4.609 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.066 13.299 2.168 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -11.992 12.180 3.446 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -12.117 13.635 4.415 1.00 0.00 H new ATOM 0 HG LEU B 44 -12.221 14.871 2.067 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.338 13.496 0.325 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -11.722 12.858 0.713 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -13.174 12.057 1.360 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -14.701 14.603 2.075 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -14.538 13.178 3.129 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -14.070 14.787 3.729 1.00 0.00 H new ATOM 2206 N GLU B 45 -10.150 15.461 4.666 1.00 0.00 N ATOM 2207 CA GLU B 45 -9.905 16.900 4.961 1.00 0.00 C ATOM 2208 C GLU B 45 -8.507 17.294 4.483 1.00 0.00 C ATOM 2209 O GLU B 45 -8.258 18.430 4.132 1.00 0.00 O ATOM 2210 CB GLU B 45 -10.013 17.134 6.470 1.00 0.00 C ATOM 2211 CG GLU B 45 -11.415 16.752 6.947 1.00 0.00 C ATOM 2212 CD GLU B 45 -12.436 17.736 6.375 1.00 0.00 C ATOM 2213 OE1 GLU B 45 -12.022 18.788 5.916 1.00 0.00 O ATOM 2214 OE2 GLU B 45 -13.614 17.421 6.404 1.00 0.00 O ATOM 0 H GLU B 45 -10.384 14.884 5.474 1.00 0.00 H new ATOM 0 HA GLU B 45 -10.647 17.507 4.442 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -9.265 16.541 6.995 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -9.811 18.180 6.702 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -11.655 15.737 6.629 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -11.455 16.762 8.036 1.00 0.00 H new ATOM 2221 N GLU B 46 -7.585 16.368 4.487 1.00 0.00 N ATOM 2222 CA GLU B 46 -6.190 16.690 4.055 1.00 0.00 C ATOM 2223 C GLU B 46 -6.009 16.421 2.557 1.00 0.00 C ATOM 2224 O GLU B 46 -5.171 15.636 2.164 1.00 0.00 O ATOM 2225 CB GLU B 46 -5.207 15.820 4.844 1.00 0.00 C ATOM 2226 CG GLU B 46 -3.792 16.387 4.703 1.00 0.00 C ATOM 2227 CD GLU B 46 -2.784 15.405 5.301 1.00 0.00 C ATOM 2228 OE1 GLU B 46 -2.474 14.427 4.640 1.00 0.00 O ATOM 2229 OE2 GLU B 46 -2.338 15.646 6.411 1.00 0.00 O ATOM 0 H GLU B 46 -7.737 15.400 4.771 1.00 0.00 H new ATOM 0 HA GLU B 46 -6.000 17.746 4.246 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.495 15.790 5.895 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -5.237 14.794 4.476 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -3.563 16.564 3.652 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -3.723 17.349 5.210 1.00 0.00 H new ATOM 2236 N ILE B 47 -6.773 17.082 1.718 1.00 0.00 N ATOM 2237 CA ILE B 47 -6.635 16.890 0.234 1.00 0.00 C ATOM 2238 C ILE B 47 -6.377 18.250 -0.419 1.00 0.00 C ATOM 2239 O ILE B 47 -7.220 19.126 -0.396 1.00 0.00 O ATOM 2240 CB ILE B 47 -7.927 16.292 -0.340 1.00 0.00 C ATOM 2241 CG1 ILE B 47 -8.085 14.851 0.154 1.00 0.00 C ATOM 2242 CG2 ILE B 47 -7.857 16.301 -1.873 1.00 0.00 C ATOM 2243 CD1 ILE B 47 -9.475 14.326 -0.221 1.00 0.00 C ATOM 0 H ILE B 47 -7.491 17.750 1.998 1.00 0.00 H new ATOM 0 HA ILE B 47 -5.807 16.211 0.032 1.00 0.00 H new ATOM 0 HB ILE B 47 -8.780 16.885 -0.011 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -7.315 14.218 -0.288 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -7.950 14.810 1.235 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -8.774 15.877 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -7.743 17.326 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -7.004 15.707 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -9.584 13.301 0.132 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -10.238 14.952 0.242 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -9.593 14.351 -1.304 1.00 0.00 H new ATOM 2255 N LYS B 48 -5.222 18.441 -1.007 1.00 0.00 N ATOM 2256 CA LYS B 48 -4.925 19.752 -1.663 1.00 0.00 C ATOM 2257 C LYS B 48 -5.316 19.674 -3.142 1.00 0.00 C ATOM 2258 O LYS B 48 -5.978 20.546 -3.668 1.00 0.00 O ATOM 2259 CB LYS B 48 -3.430 20.058 -1.542 1.00 0.00 C ATOM 2260 CG LYS B 48 -3.181 21.532 -1.868 1.00 0.00 C ATOM 2261 CD LYS B 48 -1.683 21.763 -2.086 1.00 0.00 C ATOM 2262 CE LYS B 48 -0.914 21.415 -0.808 1.00 0.00 C ATOM 2263 NZ LYS B 48 0.442 22.030 -0.863 1.00 0.00 N ATOM 0 H LYS B 48 -4.475 17.749 -1.061 1.00 0.00 H new ATOM 0 HA LYS B 48 -5.494 20.544 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -3.083 19.834 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -2.862 19.423 -2.222 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -3.737 21.816 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -3.542 22.161 -1.054 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -1.328 21.149 -2.914 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -1.502 22.803 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -1.455 21.779 0.066 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -0.831 20.333 -0.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 0.965 21.795 0.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 0.957 21.662 -1.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 0.352 23.063 -0.943 1.00 0.00 H new ATOM 2277 N GLU B 49 -4.913 18.626 -3.814 1.00 0.00 N ATOM 2278 CA GLU B 49 -5.260 18.476 -5.259 1.00 0.00 C ATOM 2279 C GLU B 49 -6.627 17.797 -5.382 1.00 0.00 C ATOM 2280 O GLU B 49 -6.760 16.612 -5.151 1.00 0.00 O ATOM 2281 CB GLU B 49 -4.200 17.615 -5.951 1.00 0.00 C ATOM 2282 CG GLU B 49 -2.856 18.347 -5.936 1.00 0.00 C ATOM 2283 CD GLU B 49 -2.881 19.484 -6.959 1.00 0.00 C ATOM 2284 OE1 GLU B 49 -2.935 19.189 -8.142 1.00 0.00 O ATOM 2285 OE2 GLU B 49 -2.844 20.630 -6.543 1.00 0.00 O ATOM 0 H GLU B 49 -4.357 17.866 -3.423 1.00 0.00 H new ATOM 0 HA GLU B 49 -5.295 19.458 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.109 16.655 -5.443 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.500 17.405 -6.978 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.658 18.744 -4.940 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -2.049 17.652 -6.169 1.00 0.00 H new ATOM 2292 N GLN B 50 -7.644 18.529 -5.749 1.00 0.00 N ATOM 2293 CA GLN B 50 -8.994 17.910 -5.890 1.00 0.00 C ATOM 2294 C GLN B 50 -9.107 17.225 -7.256 1.00 0.00 C ATOM 2295 O GLN B 50 -9.907 16.330 -7.447 1.00 0.00 O ATOM 2296 CB GLN B 50 -10.064 18.997 -5.779 1.00 0.00 C ATOM 2297 CG GLN B 50 -11.450 18.350 -5.767 1.00 0.00 C ATOM 2298 CD GLN B 50 -12.518 19.430 -5.589 1.00 0.00 C ATOM 2299 OE1 GLN B 50 -12.263 20.596 -5.815 1.00 0.00 O ATOM 2300 NE2 GLN B 50 -13.713 19.089 -5.190 1.00 0.00 N ATOM 0 H GLN B 50 -7.599 19.527 -5.957 1.00 0.00 H new ATOM 0 HA GLN B 50 -9.137 17.171 -5.101 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -9.914 19.578 -4.869 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -9.982 19.690 -6.616 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -11.618 17.808 -6.698 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -11.516 17.622 -4.958 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -13.927 18.110 -5.000 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -14.433 19.802 -5.068 1.00 0.00 H new ATOM 2309 N GLU B 51 -8.320 17.644 -8.210 1.00 0.00 N ATOM 2310 CA GLU B 51 -8.392 17.021 -9.564 1.00 0.00 C ATOM 2311 C GLU B 51 -7.753 15.630 -9.545 1.00 0.00 C ATOM 2312 O GLU B 51 -8.078 14.788 -10.358 1.00 0.00 O ATOM 2313 CB GLU B 51 -7.690 17.909 -10.593 1.00 0.00 C ATOM 2314 CG GLU B 51 -8.483 19.204 -10.777 1.00 0.00 C ATOM 2315 CD GLU B 51 -7.780 20.091 -11.805 1.00 0.00 C ATOM 2316 OE1 GLU B 51 -6.854 20.787 -11.423 1.00 0.00 O ATOM 2317 OE2 GLU B 51 -8.180 20.059 -12.957 1.00 0.00 O ATOM 0 H GLU B 51 -7.631 18.390 -8.111 1.00 0.00 H new ATOM 0 HA GLU B 51 -9.440 16.920 -9.844 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.676 18.135 -10.262 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.605 17.384 -11.544 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -9.497 18.978 -11.108 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -8.568 19.729 -9.826 1.00 0.00 H new ATOM 2324 N VAL B 52 -6.883 15.355 -8.615 1.00 0.00 N ATOM 2325 CA VAL B 52 -6.287 13.990 -8.559 1.00 0.00 C ATOM 2326 C VAL B 52 -7.335 13.042 -7.980 1.00 0.00 C ATOM 2327 O VAL B 52 -7.617 12.004 -8.544 1.00 0.00 O ATOM 2328 CB VAL B 52 -5.049 13.993 -7.658 1.00 0.00 C ATOM 2329 CG1 VAL B 52 -4.545 12.558 -7.480 1.00 0.00 C ATOM 2330 CG2 VAL B 52 -3.950 14.840 -8.300 1.00 0.00 C ATOM 0 H VAL B 52 -6.561 16.006 -7.899 1.00 0.00 H new ATOM 0 HA VAL B 52 -5.989 13.671 -9.558 1.00 0.00 H new ATOM 0 HB VAL B 52 -5.310 14.412 -6.686 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -3.664 12.559 -6.839 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -5.327 11.952 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -4.286 12.140 -8.453 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -3.069 14.841 -7.658 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -3.689 14.422 -9.272 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -4.307 15.862 -8.429 1.00 0.00 H new ATOM 2340 N VAL B 53 -7.927 13.385 -6.872 1.00 0.00 N ATOM 2341 CA VAL B 53 -8.965 12.490 -6.290 1.00 0.00 C ATOM 2342 C VAL B 53 -10.138 12.392 -7.266 1.00 0.00 C ATOM 2343 O VAL B 53 -10.790 11.373 -7.371 1.00 0.00 O ATOM 2344 CB VAL B 53 -9.451 13.068 -4.959 1.00 0.00 C ATOM 2345 CG1 VAL B 53 -10.549 12.172 -4.383 1.00 0.00 C ATOM 2346 CG2 VAL B 53 -8.280 13.132 -3.977 1.00 0.00 C ATOM 0 H VAL B 53 -7.740 14.239 -6.347 1.00 0.00 H new ATOM 0 HA VAL B 53 -8.545 11.499 -6.117 1.00 0.00 H new ATOM 0 HB VAL B 53 -9.848 14.070 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -10.895 12.584 -3.435 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -11.383 12.123 -5.083 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -10.153 11.170 -4.220 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -8.623 13.543 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -7.885 12.129 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -7.496 13.769 -4.386 1.00 0.00 H new ATOM 2356 N ASP B 54 -10.413 13.448 -7.980 1.00 0.00 N ATOM 2357 CA ASP B 54 -11.543 13.418 -8.948 1.00 0.00 C ATOM 2358 C ASP B 54 -11.299 12.326 -9.992 1.00 0.00 C ATOM 2359 O ASP B 54 -12.191 11.579 -10.343 1.00 0.00 O ATOM 2360 CB ASP B 54 -11.651 14.775 -9.647 1.00 0.00 C ATOM 2361 CG ASP B 54 -12.908 14.801 -10.518 1.00 0.00 C ATOM 2362 OD1 ASP B 54 -13.859 14.119 -10.173 1.00 0.00 O ATOM 2363 OD2 ASP B 54 -12.899 15.504 -11.516 1.00 0.00 O ATOM 0 H ASP B 54 -9.903 14.330 -7.934 1.00 0.00 H new ATOM 0 HA ASP B 54 -12.470 13.207 -8.414 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -11.691 15.575 -8.908 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -10.767 14.952 -10.260 1.00 0.00 H new ATOM 2368 N LYS B 55 -10.097 12.235 -10.503 1.00 0.00 N ATOM 2369 CA LYS B 55 -9.807 11.200 -11.537 1.00 0.00 C ATOM 2370 C LYS B 55 -9.848 9.809 -10.904 1.00 0.00 C ATOM 2371 O LYS B 55 -10.153 8.835 -11.563 1.00 0.00 O ATOM 2372 CB LYS B 55 -8.434 11.452 -12.160 1.00 0.00 C ATOM 2373 CG LYS B 55 -8.181 10.432 -13.272 1.00 0.00 C ATOM 2374 CD LYS B 55 -6.946 10.847 -14.076 1.00 0.00 C ATOM 2375 CE LYS B 55 -6.473 9.670 -14.932 1.00 0.00 C ATOM 2376 NZ LYS B 55 -5.230 10.053 -15.660 1.00 0.00 N ATOM 0 H LYS B 55 -9.309 12.830 -10.249 1.00 0.00 H new ATOM 0 HA LYS B 55 -10.564 11.257 -12.319 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -8.386 12.464 -12.563 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -7.658 11.375 -11.398 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -8.033 9.441 -12.844 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -9.050 10.369 -13.927 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -7.183 11.700 -14.712 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -6.150 11.163 -13.402 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -6.285 8.801 -14.302 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -7.250 9.387 -15.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -4.908 9.253 -16.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -5.424 10.871 -16.272 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -4.489 10.302 -14.974 1.00 0.00 H new ATOM 2390 N VAL B 56 -9.587 9.697 -9.631 1.00 0.00 N ATOM 2391 CA VAL B 56 -9.662 8.362 -8.977 1.00 0.00 C ATOM 2392 C VAL B 56 -11.104 7.864 -9.061 1.00 0.00 C ATOM 2393 O VAL B 56 -11.374 6.790 -9.561 1.00 0.00 O ATOM 2394 CB VAL B 56 -9.255 8.498 -7.508 1.00 0.00 C ATOM 2395 CG1 VAL B 56 -9.454 7.158 -6.797 1.00 0.00 C ATOM 2396 CG2 VAL B 56 -7.780 8.907 -7.427 1.00 0.00 C ATOM 0 H VAL B 56 -9.326 10.469 -9.018 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.993 7.659 -9.473 1.00 0.00 H new ATOM 0 HB VAL B 56 -9.871 9.257 -7.027 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -9.164 7.255 -5.751 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -10.502 6.866 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -8.837 6.397 -7.275 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -7.486 9.005 -6.382 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -7.165 8.146 -7.907 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -7.639 9.861 -7.934 1.00 0.00 H new ATOM 2406 N MET B 57 -12.032 8.636 -8.570 1.00 0.00 N ATOM 2407 CA MET B 57 -13.459 8.212 -8.612 1.00 0.00 C ATOM 2408 C MET B 57 -13.862 7.849 -10.043 1.00 0.00 C ATOM 2409 O MET B 57 -14.760 7.058 -10.256 1.00 0.00 O ATOM 2410 CB MET B 57 -14.342 9.353 -8.107 1.00 0.00 C ATOM 2411 CG MET B 57 -14.126 9.540 -6.604 1.00 0.00 C ATOM 2412 SD MET B 57 -14.809 8.120 -5.713 1.00 0.00 S ATOM 2413 CE MET B 57 -14.221 8.585 -4.066 1.00 0.00 C ATOM 0 H MET B 57 -11.863 9.545 -8.140 1.00 0.00 H new ATOM 0 HA MET B 57 -13.588 7.336 -7.976 1.00 0.00 H new ATOM 0 HB2 MET B 57 -14.102 10.275 -8.637 1.00 0.00 H new ATOM 0 HB3 MET B 57 -15.390 9.133 -8.310 1.00 0.00 H new ATOM 0 HG2 MET B 57 -13.062 9.640 -6.389 1.00 0.00 H new ATOM 0 HG3 MET B 57 -14.607 10.459 -6.268 1.00 0.00 H new ATOM 0 HE1 MET B 57 -14.535 7.833 -3.342 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.133 8.650 -4.073 1.00 0.00 H new ATOM 0 HE3 MET B 57 -14.640 9.552 -3.790 1.00 0.00 H new ATOM 2423 N GLU B 58 -13.197 8.390 -11.033 1.00 0.00 N ATOM 2424 CA GLU B 58 -13.540 8.036 -12.444 1.00 0.00 C ATOM 2425 C GLU B 58 -12.786 6.768 -12.844 1.00 0.00 C ATOM 2426 O GLU B 58 -13.295 5.948 -13.583 1.00 0.00 O ATOM 2427 CB GLU B 58 -13.190 9.188 -13.388 1.00 0.00 C ATOM 2428 CG GLU B 58 -13.847 8.951 -14.749 1.00 0.00 C ATOM 2429 CD GLU B 58 -15.356 9.180 -14.634 1.00 0.00 C ATOM 2430 OE1 GLU B 58 -15.742 10.276 -14.262 1.00 0.00 O ATOM 2431 OE2 GLU B 58 -16.098 8.255 -14.921 1.00 0.00 O ATOM 0 H GLU B 58 -12.434 9.059 -10.926 1.00 0.00 H new ATOM 0 HA GLU B 58 -14.612 7.855 -12.518 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.532 10.134 -12.967 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.109 9.262 -13.502 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.422 9.625 -15.492 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -13.647 7.935 -15.089 1.00 0.00 H new ATOM 2438 N THR B 59 -11.594 6.574 -12.353 1.00 0.00 N ATOM 2439 CA THR B 59 -10.856 5.336 -12.705 1.00 0.00 C ATOM 2440 C THR B 59 -11.583 4.157 -12.064 1.00 0.00 C ATOM 2441 O THR B 59 -11.880 3.180 -12.722 1.00 0.00 O ATOM 2442 CB THR B 59 -9.420 5.419 -12.193 1.00 0.00 C ATOM 2443 OG1 THR B 59 -9.429 5.796 -10.824 1.00 0.00 O ATOM 2444 CG2 THR B 59 -8.642 6.454 -13.008 1.00 0.00 C ATOM 0 H THR B 59 -11.105 7.215 -11.729 1.00 0.00 H new ATOM 0 HA THR B 59 -10.820 5.209 -13.787 1.00 0.00 H new ATOM 0 HB THR B 59 -8.940 4.446 -12.298 1.00 0.00 H new ATOM 0 HG1 THR B 59 -8.886 5.165 -10.307 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.617 6.511 -12.640 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.635 6.160 -14.058 1.00 0.00 H new ATOM 0 HG23 THR B 59 -9.118 7.429 -12.907 1.00 0.00 H new ATOM 2452 N LEU B 60 -11.911 4.236 -10.806 1.00 0.00 N ATOM 2453 CA LEU B 60 -12.657 3.113 -10.180 1.00 0.00 C ATOM 2454 C LEU B 60 -13.981 2.937 -10.923 1.00 0.00 C ATOM 2455 O LEU B 60 -14.270 1.881 -11.449 1.00 0.00 O ATOM 2456 CB LEU B 60 -12.943 3.443 -8.711 1.00 0.00 C ATOM 2457 CG LEU B 60 -11.639 3.807 -7.990 1.00 0.00 C ATOM 2458 CD1 LEU B 60 -11.969 4.387 -6.614 1.00 0.00 C ATOM 2459 CD2 LEU B 60 -10.766 2.557 -7.818 1.00 0.00 C ATOM 0 H LEU B 60 -11.697 5.021 -10.190 1.00 0.00 H new ATOM 0 HA LEU B 60 -12.068 2.198 -10.235 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -13.647 4.273 -8.647 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -13.412 2.589 -8.223 1.00 0.00 H new ATOM 0 HG LEU B 60 -11.095 4.543 -8.583 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -11.045 4.647 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -12.582 5.280 -6.733 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -12.516 3.647 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -9.843 2.826 -7.305 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -11.305 1.815 -7.229 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -10.529 2.141 -8.797 1.00 0.00 H new ATOM 2471 N ASP B 61 -14.789 3.964 -10.980 1.00 0.00 N ATOM 2472 CA ASP B 61 -16.087 3.843 -11.700 1.00 0.00 C ATOM 2473 C ASP B 61 -15.831 3.265 -13.094 1.00 0.00 C ATOM 2474 O ASP B 61 -16.701 2.673 -13.701 1.00 0.00 O ATOM 2475 CB ASP B 61 -16.734 5.224 -11.827 1.00 0.00 C ATOM 2476 CG ASP B 61 -18.081 5.093 -12.540 1.00 0.00 C ATOM 2477 OD1 ASP B 61 -18.778 4.128 -12.274 1.00 0.00 O ATOM 2478 OD2 ASP B 61 -18.393 5.961 -13.339 1.00 0.00 O ATOM 0 H ASP B 61 -14.606 4.876 -10.561 1.00 0.00 H new ATOM 0 HA ASP B 61 -16.756 3.185 -11.146 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -16.874 5.664 -10.840 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -16.079 5.894 -12.384 1.00 0.00 H new ATOM 2483 N GLU B 62 -14.635 3.429 -13.600 1.00 0.00 N ATOM 2484 CA GLU B 62 -14.297 2.888 -14.953 1.00 0.00 C ATOM 2485 C GLU B 62 -13.516 1.595 -14.792 1.00 0.00 C ATOM 2486 O GLU B 62 -12.550 1.329 -15.481 1.00 0.00 O ATOM 2487 CB GLU B 62 -13.436 3.879 -15.685 1.00 0.00 C ATOM 2488 CG GLU B 62 -14.264 5.106 -16.083 1.00 0.00 C ATOM 2489 CD GLU B 62 -15.162 4.754 -17.271 1.00 0.00 C ATOM 2490 OE1 GLU B 62 -14.636 4.291 -18.269 1.00 0.00 O ATOM 2491 OE2 GLU B 62 -16.360 4.955 -17.162 1.00 0.00 O ATOM 0 H GLU B 62 -13.872 3.918 -13.131 1.00 0.00 H new ATOM 0 HA GLU B 62 -15.215 2.707 -15.511 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -12.602 4.183 -15.053 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -13.010 3.415 -16.574 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -14.871 5.437 -15.240 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -13.604 5.933 -16.345 1.00 0.00 H new ATOM 2498 N ASP B 63 -13.936 0.814 -13.876 1.00 0.00 N ATOM 2499 CA ASP B 63 -13.261 -0.489 -13.590 1.00 0.00 C ATOM 2500 C ASP B 63 -12.940 -1.202 -14.903 1.00 0.00 C ATOM 2501 O ASP B 63 -11.874 -1.759 -15.077 1.00 0.00 O ATOM 2502 CB ASP B 63 -14.234 -1.362 -12.801 1.00 0.00 C ATOM 2503 CG ASP B 63 -13.510 -2.604 -12.282 1.00 0.00 C ATOM 2504 OD1 ASP B 63 -12.291 -2.582 -12.243 1.00 0.00 O ATOM 2505 OD2 ASP B 63 -14.187 -3.557 -11.932 1.00 0.00 O ATOM 0 H ASP B 63 -14.742 1.011 -13.283 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.341 -0.314 -13.031 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -14.650 -0.797 -11.967 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -15.070 -1.656 -13.435 1.00 0.00 H new ATOM 2510 N GLY B 64 -13.850 -1.158 -15.829 1.00 0.00 N ATOM 2511 CA GLY B 64 -13.628 -1.805 -17.155 1.00 0.00 C ATOM 2512 C GLY B 64 -13.216 -3.282 -17.012 1.00 0.00 C ATOM 2513 O GLY B 64 -13.133 -3.989 -17.997 1.00 0.00 O ATOM 0 H GLY B 64 -14.753 -0.695 -15.726 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -14.540 -1.738 -17.749 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -12.854 -1.263 -17.698 1.00 0.00 H new ATOM 2517 N ASP B 65 -12.941 -3.757 -15.816 1.00 0.00 N ATOM 2518 CA ASP B 65 -12.516 -5.194 -15.638 1.00 0.00 C ATOM 2519 C ASP B 65 -13.614 -6.063 -14.966 1.00 0.00 C ATOM 2520 O ASP B 65 -13.481 -7.270 -14.914 1.00 0.00 O ATOM 2521 CB ASP B 65 -11.260 -5.231 -14.765 1.00 0.00 C ATOM 2522 CG ASP B 65 -10.099 -4.580 -15.517 1.00 0.00 C ATOM 2523 OD1 ASP B 65 -10.169 -4.516 -16.733 1.00 0.00 O ATOM 2524 OD2 ASP B 65 -9.159 -4.155 -14.864 1.00 0.00 O ATOM 0 H ASP B 65 -12.992 -3.214 -14.954 1.00 0.00 H new ATOM 0 HA ASP B 65 -12.328 -5.607 -16.629 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.440 -4.706 -13.827 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -11.011 -6.261 -14.511 1.00 0.00 H new ATOM 2529 N GLY B 66 -14.694 -5.505 -14.464 1.00 0.00 N ATOM 2530 CA GLY B 66 -15.746 -6.357 -13.836 1.00 0.00 C ATOM 2531 C GLY B 66 -15.345 -6.731 -12.405 1.00 0.00 C ATOM 2532 O GLY B 66 -16.189 -6.944 -11.557 1.00 0.00 O ATOM 0 H GLY B 66 -14.887 -4.503 -14.464 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -16.697 -5.824 -13.827 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -15.892 -7.261 -14.428 1.00 0.00 H new ATOM 2536 N GLU B 67 -14.068 -6.814 -12.120 1.00 0.00 N ATOM 2537 CA GLU B 67 -13.641 -7.175 -10.732 1.00 0.00 C ATOM 2538 C GLU B 67 -12.288 -6.531 -10.402 1.00 0.00 C ATOM 2539 O GLU B 67 -11.355 -6.601 -11.178 1.00 0.00 O ATOM 2540 CB GLU B 67 -13.535 -8.696 -10.627 1.00 0.00 C ATOM 2541 CG GLU B 67 -12.336 -9.192 -11.441 1.00 0.00 C ATOM 2542 CD GLU B 67 -12.438 -10.706 -11.635 1.00 0.00 C ATOM 2543 OE1 GLU B 67 -13.456 -11.265 -11.261 1.00 0.00 O ATOM 2544 OE2 GLU B 67 -11.496 -11.281 -12.154 1.00 0.00 O ATOM 0 H GLU B 67 -13.309 -6.649 -12.782 1.00 0.00 H new ATOM 0 HA GLU B 67 -14.378 -6.805 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -13.424 -8.990 -9.583 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -14.451 -9.159 -10.993 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -12.309 -8.692 -12.409 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -11.407 -8.943 -10.928 1.00 0.00 H new ATOM 2551 N CYS B 68 -12.170 -5.914 -9.250 1.00 0.00 N ATOM 2552 CA CYS B 68 -10.876 -5.273 -8.853 1.00 0.00 C ATOM 2553 C CYS B 68 -10.179 -6.155 -7.812 1.00 0.00 C ATOM 2554 O CYS B 68 -10.760 -6.527 -6.812 1.00 0.00 O ATOM 2555 CB CYS B 68 -11.155 -3.889 -8.254 1.00 0.00 C ATOM 2556 SG CYS B 68 -12.463 -3.075 -9.206 1.00 0.00 S ATOM 0 H CYS B 68 -12.919 -5.827 -8.564 1.00 0.00 H new ATOM 0 HA CYS B 68 -10.234 -5.163 -9.727 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -11.456 -3.986 -7.211 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -10.248 -3.284 -8.270 1.00 0.00 H new ATOM 0 HG CYS B 68 -12.037 -2.835 -10.411 1.00 0.00 H new ATOM 2562 N ASP B 69 -8.940 -6.499 -8.042 1.00 0.00 N ATOM 2563 CA ASP B 69 -8.209 -7.365 -7.069 1.00 0.00 C ATOM 2564 C ASP B 69 -7.612 -6.504 -5.953 1.00 0.00 C ATOM 2565 O ASP B 69 -7.834 -5.312 -5.885 1.00 0.00 O ATOM 2566 CB ASP B 69 -7.085 -8.107 -7.796 1.00 0.00 C ATOM 2567 CG ASP B 69 -6.568 -9.244 -6.912 1.00 0.00 C ATOM 2568 OD1 ASP B 69 -7.128 -9.441 -5.847 1.00 0.00 O ATOM 2569 OD2 ASP B 69 -5.620 -9.898 -7.317 1.00 0.00 O ATOM 0 H ASP B 69 -8.402 -6.218 -8.862 1.00 0.00 H new ATOM 0 HA ASP B 69 -8.903 -8.084 -6.634 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -7.451 -8.506 -8.742 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.274 -7.418 -8.032 1.00 0.00 H new ATOM 2574 N PHE B 70 -6.847 -7.103 -5.081 1.00 0.00 N ATOM 2575 CA PHE B 70 -6.224 -6.324 -3.973 1.00 0.00 C ATOM 2576 C PHE B 70 -5.071 -5.490 -4.535 1.00 0.00 C ATOM 2577 O PHE B 70 -4.800 -4.402 -4.067 1.00 0.00 O ATOM 2578 CB PHE B 70 -5.706 -7.287 -2.900 1.00 0.00 C ATOM 2579 CG PHE B 70 -5.032 -6.515 -1.789 1.00 0.00 C ATOM 2580 CD1 PHE B 70 -3.728 -6.030 -1.957 1.00 0.00 C ATOM 2581 CD2 PHE B 70 -5.711 -6.289 -0.586 1.00 0.00 C ATOM 2582 CE1 PHE B 70 -3.107 -5.320 -0.923 1.00 0.00 C ATOM 2583 CE2 PHE B 70 -5.090 -5.579 0.447 1.00 0.00 C ATOM 2584 CZ PHE B 70 -3.788 -5.094 0.279 1.00 0.00 C ATOM 0 H PHE B 70 -6.626 -8.099 -5.088 1.00 0.00 H new ATOM 0 HA PHE B 70 -6.962 -5.660 -3.524 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -6.532 -7.873 -2.497 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.002 -7.992 -3.342 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.202 -6.204 -2.884 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -6.716 -6.663 -0.455 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.102 -4.946 -1.053 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -5.615 -5.405 1.374 1.00 0.00 H new ATOM 0 HZ PHE B 70 -3.309 -4.546 1.076 1.00 0.00 H new ATOM 2594 N GLN B 71 -4.395 -5.977 -5.536 1.00 0.00 N ATOM 2595 CA GLN B 71 -3.272 -5.188 -6.116 1.00 0.00 C ATOM 2596 C GLN B 71 -3.806 -3.824 -6.561 1.00 0.00 C ATOM 2597 O GLN B 71 -3.146 -2.814 -6.423 1.00 0.00 O ATOM 2598 CB GLN B 71 -2.695 -5.942 -7.322 1.00 0.00 C ATOM 2599 CG GLN B 71 -1.665 -5.073 -8.055 1.00 0.00 C ATOM 2600 CD GLN B 71 -0.611 -4.572 -7.065 1.00 0.00 C ATOM 2601 OE1 GLN B 71 0.059 -5.358 -6.426 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -0.435 -3.288 -6.912 1.00 0.00 N ATOM 0 H GLN B 71 -4.569 -6.881 -5.976 1.00 0.00 H new ATOM 0 HA GLN B 71 -2.487 -5.048 -5.373 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -2.227 -6.869 -6.989 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -3.499 -6.218 -8.005 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.188 -5.649 -8.848 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -2.162 -4.227 -8.530 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.998 -2.628 -7.449 1.00 0.00 H new ATOM 0 HE22 GLN B 71 0.266 -2.944 -6.255 1.00 0.00 H new ATOM 2611 N GLU B 72 -4.998 -3.785 -7.090 1.00 0.00 N ATOM 2612 CA GLU B 72 -5.574 -2.484 -7.538 1.00 0.00 C ATOM 2613 C GLU B 72 -5.960 -1.637 -6.320 1.00 0.00 C ATOM 2614 O GLU B 72 -5.984 -0.425 -6.375 1.00 0.00 O ATOM 2615 CB GLU B 72 -6.804 -2.733 -8.412 1.00 0.00 C ATOM 2616 CG GLU B 72 -6.417 -3.621 -9.597 1.00 0.00 C ATOM 2617 CD GLU B 72 -7.525 -3.579 -10.652 1.00 0.00 C ATOM 2618 OE1 GLU B 72 -7.665 -2.552 -11.295 1.00 0.00 O ATOM 2619 OE2 GLU B 72 -8.214 -4.576 -10.799 1.00 0.00 O ATOM 0 H GLU B 72 -5.599 -4.597 -7.232 1.00 0.00 H new ATOM 0 HA GLU B 72 -4.827 -1.946 -8.122 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -7.589 -3.212 -7.826 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -7.207 -1.786 -8.770 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.476 -3.279 -10.029 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -6.260 -4.646 -9.261 1.00 0.00 H new ATOM 2626 N PHE B 73 -6.224 -2.266 -5.209 1.00 0.00 N ATOM 2627 CA PHE B 73 -6.570 -1.501 -3.976 1.00 0.00 C ATOM 2628 C PHE B 73 -5.292 -0.906 -3.379 1.00 0.00 C ATOM 2629 O PHE B 73 -5.290 0.214 -2.915 1.00 0.00 O ATOM 2630 CB PHE B 73 -7.262 -2.419 -2.965 1.00 0.00 C ATOM 2631 CG PHE B 73 -7.482 -1.685 -1.658 1.00 0.00 C ATOM 2632 CD1 PHE B 73 -8.300 -0.547 -1.623 1.00 0.00 C ATOM 2633 CD2 PHE B 73 -6.879 -2.147 -0.480 1.00 0.00 C ATOM 2634 CE1 PHE B 73 -8.513 0.126 -0.413 1.00 0.00 C ATOM 2635 CE2 PHE B 73 -7.094 -1.474 0.729 1.00 0.00 C ATOM 2636 CZ PHE B 73 -7.910 -0.338 0.762 1.00 0.00 C ATOM 0 H PHE B 73 -6.215 -3.280 -5.100 1.00 0.00 H new ATOM 0 HA PHE B 73 -7.257 -0.692 -4.226 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -8.217 -2.758 -3.365 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.654 -3.308 -2.794 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -8.766 -0.189 -2.529 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.248 -3.023 -0.505 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -9.143 1.003 -0.387 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -6.630 -1.832 1.636 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.075 0.181 1.695 1.00 0.00 H new ATOM 2646 N MET B 74 -4.207 -1.618 -3.388 1.00 0.00 N ATOM 2647 CA MET B 74 -2.965 -1.027 -2.814 1.00 0.00 C ATOM 2648 C MET B 74 -2.475 0.101 -3.735 1.00 0.00 C ATOM 2649 O MET B 74 -1.939 1.084 -3.264 1.00 0.00 O ATOM 2650 CB MET B 74 -1.884 -2.114 -2.658 1.00 0.00 C ATOM 2651 CG MET B 74 -0.967 -1.784 -1.468 1.00 0.00 C ATOM 2652 SD MET B 74 -1.724 -2.402 0.063 1.00 0.00 S ATOM 2653 CE MET B 74 -1.971 -0.814 0.905 1.00 0.00 C ATOM 0 H MET B 74 -4.121 -2.564 -3.759 1.00 0.00 H new ATOM 0 HA MET B 74 -3.174 -0.616 -1.826 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.354 -3.086 -2.506 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.295 -2.185 -3.572 1.00 0.00 H new ATOM 0 HG2 MET B 74 0.013 -2.239 -1.612 1.00 0.00 H new ATOM 0 HG3 MET B 74 -0.812 -0.707 -1.401 1.00 0.00 H new ATOM 0 HE1 MET B 74 -2.787 -0.905 1.622 1.00 0.00 H new ATOM 0 HE2 MET B 74 -1.057 -0.534 1.429 1.00 0.00 H new ATOM 0 HE3 MET B 74 -2.217 -0.047 0.171 1.00 0.00 H new ATOM 2663 N ALA B 75 -2.655 0.006 -5.025 1.00 0.00 N ATOM 2664 CA ALA B 75 -2.198 1.112 -5.918 1.00 0.00 C ATOM 2665 C ALA B 75 -3.175 2.293 -5.848 1.00 0.00 C ATOM 2666 O ALA B 75 -2.783 3.405 -5.555 1.00 0.00 O ATOM 2667 CB ALA B 75 -2.133 0.601 -7.359 1.00 0.00 C ATOM 0 H ALA B 75 -3.095 -0.783 -5.497 1.00 0.00 H new ATOM 0 HA ALA B 75 -1.213 1.446 -5.592 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.800 1.405 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -1.431 -0.231 -7.419 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -3.122 0.264 -7.671 1.00 0.00 H new ATOM 2673 N PHE B 76 -4.435 2.081 -6.120 1.00 0.00 N ATOM 2674 CA PHE B 76 -5.396 3.224 -6.065 1.00 0.00 C ATOM 2675 C PHE B 76 -5.326 3.874 -4.676 1.00 0.00 C ATOM 2676 O PHE B 76 -5.471 5.072 -4.533 1.00 0.00 O ATOM 2677 CB PHE B 76 -6.828 2.726 -6.349 1.00 0.00 C ATOM 2678 CG PHE B 76 -7.079 2.685 -7.847 1.00 0.00 C ATOM 2679 CD1 PHE B 76 -7.028 3.868 -8.599 1.00 0.00 C ATOM 2680 CD2 PHE B 76 -7.359 1.467 -8.484 1.00 0.00 C ATOM 2681 CE1 PHE B 76 -7.253 3.830 -9.981 1.00 0.00 C ATOM 2682 CE2 PHE B 76 -7.585 1.433 -9.865 1.00 0.00 C ATOM 2683 CZ PHE B 76 -7.532 2.613 -10.613 1.00 0.00 C ATOM 0 H PHE B 76 -4.838 1.179 -6.375 1.00 0.00 H new ATOM 0 HA PHE B 76 -5.130 3.961 -6.823 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.967 1.733 -5.922 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -7.552 3.384 -5.869 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.815 4.808 -8.112 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -7.400 0.554 -7.908 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -7.211 4.741 -10.560 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -7.801 0.494 -10.353 1.00 0.00 H new ATOM 0 HZ PHE B 76 -7.706 2.585 -11.678 1.00 0.00 H new ATOM 2693 N VAL B 77 -5.094 3.096 -3.659 1.00 0.00 N ATOM 2694 CA VAL B 77 -5.002 3.679 -2.288 1.00 0.00 C ATOM 2695 C VAL B 77 -3.787 4.613 -2.230 1.00 0.00 C ATOM 2696 O VAL B 77 -3.807 5.632 -1.567 1.00 0.00 O ATOM 2697 CB VAL B 77 -4.848 2.545 -1.260 1.00 0.00 C ATOM 2698 CG1 VAL B 77 -4.344 3.103 0.079 1.00 0.00 C ATOM 2699 CG2 VAL B 77 -6.205 1.859 -1.045 1.00 0.00 C ATOM 0 H VAL B 77 -4.964 2.086 -3.714 1.00 0.00 H new ATOM 0 HA VAL B 77 -5.906 4.243 -2.057 1.00 0.00 H new ATOM 0 HB VAL B 77 -4.124 1.823 -1.639 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -4.240 2.289 0.796 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -3.377 3.583 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -5.057 3.834 0.460 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -6.095 1.056 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.927 2.588 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -6.558 1.446 -1.990 1.00 0.00 H new ATOM 2709 N SER B 78 -2.731 4.277 -2.918 1.00 0.00 N ATOM 2710 CA SER B 78 -1.524 5.149 -2.898 1.00 0.00 C ATOM 2711 C SER B 78 -1.834 6.465 -3.615 1.00 0.00 C ATOM 2712 O SER B 78 -1.606 7.538 -3.091 1.00 0.00 O ATOM 2713 CB SER B 78 -0.373 4.439 -3.611 1.00 0.00 C ATOM 2714 OG SER B 78 -0.562 4.533 -5.016 1.00 0.00 O ATOM 0 H SER B 78 -2.652 3.438 -3.492 1.00 0.00 H new ATOM 0 HA SER B 78 -1.241 5.356 -1.866 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.578 4.891 -3.329 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.332 3.393 -3.307 1.00 0.00 H new ATOM 0 HG SER B 78 0.134 5.105 -5.402 1.00 0.00 H new ATOM 2720 N MET B 79 -2.334 6.389 -4.816 1.00 0.00 N ATOM 2721 CA MET B 79 -2.641 7.630 -5.582 1.00 0.00 C ATOM 2722 C MET B 79 -3.469 8.592 -4.726 1.00 0.00 C ATOM 2723 O MET B 79 -3.250 9.787 -4.731 1.00 0.00 O ATOM 2724 CB MET B 79 -3.440 7.259 -6.833 1.00 0.00 C ATOM 2725 CG MET B 79 -3.457 8.444 -7.801 1.00 0.00 C ATOM 2726 SD MET B 79 -4.720 8.170 -9.068 1.00 0.00 S ATOM 2727 CE MET B 79 -3.717 7.148 -10.175 1.00 0.00 C ATOM 0 H MET B 79 -2.544 5.518 -5.303 1.00 0.00 H new ATOM 0 HA MET B 79 -1.707 8.117 -5.861 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.996 6.388 -7.316 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.459 6.986 -6.558 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.664 9.367 -7.259 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.479 8.561 -8.267 1.00 0.00 H new ATOM 0 HE1 MET B 79 -4.311 6.860 -11.042 1.00 0.00 H new ATOM 0 HE2 MET B 79 -2.846 7.715 -10.504 1.00 0.00 H new ATOM 0 HE3 MET B 79 -3.389 6.253 -9.646 1.00 0.00 H new ATOM 2737 N VAL B 80 -4.424 8.083 -3.997 1.00 0.00 N ATOM 2738 CA VAL B 80 -5.267 8.976 -3.152 1.00 0.00 C ATOM 2739 C VAL B 80 -4.461 9.452 -1.942 1.00 0.00 C ATOM 2740 O VAL B 80 -4.400 10.629 -1.645 1.00 0.00 O ATOM 2741 CB VAL B 80 -6.498 8.208 -2.659 1.00 0.00 C ATOM 2742 CG1 VAL B 80 -7.327 9.109 -1.737 1.00 0.00 C ATOM 2743 CG2 VAL B 80 -7.352 7.778 -3.857 1.00 0.00 C ATOM 0 H VAL B 80 -4.657 7.091 -3.950 1.00 0.00 H new ATOM 0 HA VAL B 80 -5.581 9.834 -3.746 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.176 7.323 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -8.203 8.563 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.721 9.411 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -7.647 9.995 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -8.227 7.232 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -7.674 8.661 -4.410 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.763 7.135 -4.511 1.00 0.00 H new ATOM 2753 N THR B 81 -3.847 8.541 -1.238 1.00 0.00 N ATOM 2754 CA THR B 81 -3.048 8.929 -0.041 1.00 0.00 C ATOM 2755 C THR B 81 -1.970 9.937 -0.444 1.00 0.00 C ATOM 2756 O THR B 81 -1.745 10.921 0.230 1.00 0.00 O ATOM 2757 CB THR B 81 -2.385 7.683 0.552 1.00 0.00 C ATOM 2758 OG1 THR B 81 -3.375 6.694 0.797 1.00 0.00 O ATOM 2759 CG2 THR B 81 -1.690 8.049 1.865 1.00 0.00 C ATOM 0 H THR B 81 -3.864 7.542 -1.441 1.00 0.00 H new ATOM 0 HA THR B 81 -3.705 9.383 0.701 1.00 0.00 H new ATOM 0 HB THR B 81 -1.648 7.293 -0.150 1.00 0.00 H new ATOM 0 HG1 THR B 81 -3.497 6.147 -0.007 1.00 0.00 H new ATOM 0 HG21 THR B 81 -1.218 7.161 2.287 1.00 0.00 H new ATOM 0 HG22 THR B 81 -0.931 8.808 1.676 1.00 0.00 H new ATOM 0 HG23 THR B 81 -2.425 8.439 2.569 1.00 0.00 H new ATOM 2767 N THR B 82 -1.299 9.700 -1.537 1.00 0.00 N ATOM 2768 CA THR B 82 -0.235 10.646 -1.977 1.00 0.00 C ATOM 2769 C THR B 82 -0.845 12.031 -2.207 1.00 0.00 C ATOM 2770 O THR B 82 -0.345 13.028 -1.726 1.00 0.00 O ATOM 2771 CB THR B 82 0.393 10.140 -3.279 1.00 0.00 C ATOM 2772 OG1 THR B 82 -0.634 9.714 -4.163 1.00 0.00 O ATOM 2773 CG2 THR B 82 1.326 8.966 -2.976 1.00 0.00 C ATOM 0 H THR B 82 -1.441 8.893 -2.144 1.00 0.00 H new ATOM 0 HA THR B 82 0.533 10.712 -1.206 1.00 0.00 H new ATOM 0 HB THR B 82 0.964 10.944 -3.744 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.845 8.773 -3.990 1.00 0.00 H new ATOM 0 HG21 THR B 82 1.772 8.607 -3.903 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.114 9.293 -2.297 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.758 8.160 -2.511 1.00 0.00 H new ATOM 2781 N ALA B 83 -1.916 12.101 -2.948 1.00 0.00 N ATOM 2782 CA ALA B 83 -2.552 13.421 -3.220 1.00 0.00 C ATOM 2783 C ALA B 83 -2.829 14.147 -1.901 1.00 0.00 C ATOM 2784 O ALA B 83 -3.101 15.331 -1.882 1.00 0.00 O ATOM 2785 CB ALA B 83 -3.869 13.204 -3.967 1.00 0.00 C ATOM 0 H ALA B 83 -2.379 11.300 -3.378 1.00 0.00 H new ATOM 0 HA ALA B 83 -1.879 14.026 -3.828 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -4.337 14.168 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -3.673 12.693 -4.910 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -4.537 12.596 -3.357 1.00 0.00 H new