USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: I 7 MET CE :methyl -179:sc= -1.43 (180deg=-1.44) USER MOD Set 1.2: I 8 MET CE :methyl 155:sc= -6.53! (180deg=-7.42!) USER MOD Set 2.1: C 13 THR OG1 : rot 180:sc= -2.37 USER MOD Set 2.2: C 16 GLN : amide:sc= -6.03! C(o=-8.4!,f=-12!) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -4.08 K(o=-4.1,f=-6.4!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -84:sc= -0.247 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot -63:sc= 0.349 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -158:sc= -12.8! (180deg=-13.8!) USER MOD Single : C 47 MET CE :methyl 149:sc= -1.82 (180deg=-2.69!) USER MOD Single : C 50 GLN : amide:sc= -0.0322 X(o=-0.032,f=-0.19) USER MOD Single : C 51 ASN : amide:sc= -0.596 K(o=-0.6,f=-3.9!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.0968 USER MOD Single : C 58 GLN : amide:sc= -1.34 K(o=-1.3,f=-5.5!) USER MOD Single : C 60 MET CE :methyl -157:sc= -0.194 (180deg=-0.565) USER MOD Single : C 69 SER OG : rot -65:sc= -1.4! USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 80 MET CE :methyl -161:sc= -0.839 (180deg=-1.28) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 175:sc= 0 (180deg=-0.00493) USER MOD Single : I 3 SER OG : rot 34:sc= 0.781 USER MOD Single : I 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 55.630 -11.591 13.911 1.00 0.00 N ATOM 45 CA ILE C 4 54.708 -10.507 13.463 1.00 0.00 C ATOM 46 C ILE C 4 54.830 -10.307 11.951 1.00 0.00 C ATOM 47 O ILE C 4 53.905 -10.560 11.205 1.00 0.00 O ATOM 48 CB ILE C 4 55.175 -9.259 14.210 1.00 0.00 C ATOM 49 CG1 ILE C 4 54.854 -9.409 15.699 1.00 0.00 C ATOM 50 CG2 ILE C 4 54.453 -8.030 13.654 1.00 0.00 C ATOM 51 CD1 ILE C 4 55.304 -8.153 16.447 1.00 0.00 C ATOM 0 HA ILE C 4 53.663 -10.737 13.670 1.00 0.00 H new ATOM 0 HB ILE C 4 56.250 -9.137 14.079 1.00 0.00 H new ATOM 0 HG12 ILE C 4 53.784 -9.564 15.837 1.00 0.00 H new ATOM 0 HG13 ILE C 4 55.358 -10.287 16.104 1.00 0.00 H new ATOM 0 HG21 ILE C 4 54.787 -7.140 14.187 1.00 0.00 H new ATOM 0 HG22 ILE C 4 54.680 -7.924 12.593 1.00 0.00 H new ATOM 0 HG23 ILE C 4 53.378 -8.150 13.785 1.00 0.00 H new ATOM 0 HD11 ILE C 4 55.075 -8.260 17.507 1.00 0.00 H new ATOM 0 HD12 ILE C 4 56.378 -8.018 16.319 1.00 0.00 H new ATOM 0 HD13 ILE C 4 54.780 -7.285 16.048 1.00 0.00 H new ATOM 63 N TYR C 5 55.966 -9.855 11.492 1.00 0.00 N ATOM 64 CA TYR C 5 56.145 -9.641 10.028 1.00 0.00 C ATOM 65 C TYR C 5 56.416 -10.975 9.329 1.00 0.00 C ATOM 66 O TYR C 5 55.769 -11.321 8.361 1.00 0.00 O ATOM 67 CB TYR C 5 57.354 -8.715 9.907 1.00 0.00 C ATOM 68 CG TYR C 5 57.137 -7.490 10.764 1.00 0.00 C ATOM 69 CD1 TYR C 5 56.094 -6.606 10.466 1.00 0.00 C ATOM 70 CD2 TYR C 5 57.976 -7.242 11.858 1.00 0.00 C ATOM 71 CE1 TYR C 5 55.891 -5.470 11.259 1.00 0.00 C ATOM 72 CE2 TYR C 5 57.772 -6.105 12.651 1.00 0.00 C ATOM 73 CZ TYR C 5 56.730 -5.221 12.352 1.00 0.00 C ATOM 74 OH TYR C 5 56.527 -4.102 13.134 1.00 0.00 O ATOM 0 H TYR C 5 56.776 -9.625 12.067 1.00 0.00 H new ATOM 0 HA TYR C 5 55.258 -9.213 9.561 1.00 0.00 H new ATOM 0 HB2 TYR C 5 58.258 -9.237 10.221 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.500 -8.423 8.867 1.00 0.00 H new ATOM 0 HD1 TYR C 5 55.446 -6.800 9.624 1.00 0.00 H new ATOM 0 HD2 TYR C 5 58.779 -7.926 12.090 1.00 0.00 H new ATOM 0 HE1 TYR C 5 55.088 -4.786 11.028 1.00 0.00 H new ATOM 0 HE2 TYR C 5 58.419 -5.911 13.493 1.00 0.00 H new ATOM 0 HH TYR C 5 57.195 -4.078 13.851 1.00 0.00 H new ATOM 84 N LYS C 6 57.366 -11.730 9.814 1.00 0.00 N ATOM 85 CA LYS C 6 57.669 -13.043 9.176 1.00 0.00 C ATOM 86 C LYS C 6 56.362 -13.771 8.854 1.00 0.00 C ATOM 87 O LYS C 6 56.267 -14.505 7.890 1.00 0.00 O ATOM 88 CB LYS C 6 58.480 -13.819 10.218 1.00 0.00 C ATOM 89 CG LYS C 6 57.550 -14.331 11.320 1.00 0.00 C ATOM 90 CD LYS C 6 58.374 -15.042 12.395 1.00 0.00 C ATOM 91 CE LYS C 6 59.062 -16.267 11.787 1.00 0.00 C ATOM 92 NZ LYS C 6 60.491 -16.144 12.190 1.00 0.00 N ATOM 0 H LYS C 6 57.943 -11.495 10.622 1.00 0.00 H new ATOM 0 HA LYS C 6 58.219 -12.937 8.241 1.00 0.00 H new ATOM 0 HB2 LYS C 6 58.993 -14.656 9.744 1.00 0.00 H new ATOM 0 HB3 LYS C 6 59.248 -13.176 10.647 1.00 0.00 H new ATOM 0 HG2 LYS C 6 56.999 -13.500 11.760 1.00 0.00 H new ATOM 0 HG3 LYS C 6 56.813 -15.016 10.900 1.00 0.00 H new ATOM 0 HD2 LYS C 6 59.119 -14.361 12.807 1.00 0.00 H new ATOM 0 HD3 LYS C 6 57.730 -15.346 13.220 1.00 0.00 H new ATOM 0 HE2 LYS C 6 58.624 -17.192 12.161 1.00 0.00 H new ATOM 0 HE3 LYS C 6 58.957 -16.281 10.702 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 61.029 -16.949 11.810 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 60.883 -15.257 11.814 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 60.560 -16.140 13.228 1.00 0.00 H new ATOM 106 N ALA C 7 55.354 -13.562 9.654 1.00 0.00 N ATOM 107 CA ALA C 7 54.046 -14.230 9.399 1.00 0.00 C ATOM 108 C ALA C 7 53.271 -13.463 8.323 1.00 0.00 C ATOM 109 O ALA C 7 52.575 -14.042 7.513 1.00 0.00 O ATOM 110 CB ALA C 7 53.310 -14.181 10.736 1.00 0.00 C ATOM 0 H ALA C 7 55.379 -12.957 10.475 1.00 0.00 H new ATOM 0 HA ALA C 7 54.161 -15.253 9.040 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.334 -14.655 10.632 1.00 0.00 H new ATOM 0 HB2 ALA C 7 53.891 -14.710 11.491 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.179 -13.143 11.041 1.00 0.00 H new ATOM 116 N ALA C 8 53.392 -12.163 8.310 1.00 0.00 N ATOM 117 CA ALA C 8 52.668 -11.353 7.286 1.00 0.00 C ATOM 118 C ALA C 8 53.392 -11.444 5.941 1.00 0.00 C ATOM 119 O ALA C 8 52.776 -11.541 4.898 1.00 0.00 O ATOM 120 CB ALA C 8 52.705 -9.920 7.818 1.00 0.00 C ATOM 0 H ALA C 8 53.961 -11.626 8.964 1.00 0.00 H new ATOM 0 HA ALA C 8 51.648 -11.701 7.125 1.00 0.00 H new ATOM 0 HB1 ALA C 8 52.191 -9.259 7.120 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.209 -9.879 8.788 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.741 -9.599 7.926 1.00 0.00 H new ATOM 126 N VAL C 9 54.697 -11.412 5.958 1.00 0.00 N ATOM 127 CA VAL C 9 55.462 -11.496 4.681 1.00 0.00 C ATOM 128 C VAL C 9 55.234 -12.855 4.018 1.00 0.00 C ATOM 129 O VAL C 9 54.935 -12.943 2.843 1.00 0.00 O ATOM 130 CB VAL C 9 56.928 -11.346 5.084 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.784 -11.161 3.831 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.088 -10.126 5.994 1.00 0.00 C ATOM 0 H VAL C 9 55.266 -11.331 6.801 1.00 0.00 H new ATOM 0 HA VAL C 9 55.153 -10.733 3.967 1.00 0.00 H new ATOM 0 HB VAL C 9 57.250 -12.241 5.617 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.830 -11.054 4.118 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.673 -12.030 3.183 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.460 -10.267 3.298 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.134 -10.021 6.281 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.765 -9.231 5.462 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.478 -10.257 6.888 1.00 0.00 H new ATOM 142 N GLU C 10 55.380 -13.914 4.764 1.00 0.00 N ATOM 143 CA GLU C 10 55.178 -15.272 4.180 1.00 0.00 C ATOM 144 C GLU C 10 53.721 -15.457 3.749 1.00 0.00 C ATOM 145 O GLU C 10 53.391 -16.377 3.029 1.00 0.00 O ATOM 146 CB GLU C 10 55.526 -16.242 5.310 1.00 0.00 C ATOM 147 CG GLU C 10 56.836 -16.962 4.983 1.00 0.00 C ATOM 148 CD GLU C 10 56.908 -18.272 5.770 1.00 0.00 C ATOM 149 OE1 GLU C 10 55.859 -18.786 6.122 1.00 0.00 O ATOM 150 OE2 GLU C 10 58.010 -18.738 6.006 1.00 0.00 O ATOM 0 H GLU C 10 55.630 -13.899 5.753 1.00 0.00 H new ATOM 0 HA GLU C 10 55.793 -15.434 3.294 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.622 -15.700 6.251 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.723 -16.968 5.440 1.00 0.00 H new ATOM 0 HG2 GLU C 10 56.895 -17.164 3.914 1.00 0.00 H new ATOM 0 HG3 GLU C 10 57.685 -16.327 5.235 1.00 0.00 H new ATOM 157 N GLN C 11 52.847 -14.592 4.186 1.00 0.00 N ATOM 158 CA GLN C 11 51.413 -14.728 3.801 1.00 0.00 C ATOM 159 C GLN C 11 51.055 -13.712 2.712 1.00 0.00 C ATOM 160 O GLN C 11 50.106 -13.887 1.976 1.00 0.00 O ATOM 161 CB GLN C 11 50.631 -14.442 5.082 1.00 0.00 C ATOM 162 CG GLN C 11 50.294 -15.762 5.780 1.00 0.00 C ATOM 163 CD GLN C 11 49.011 -15.597 6.598 1.00 0.00 C ATOM 164 OE1 GLN C 11 47.926 -15.819 6.098 1.00 0.00 O ATOM 165 NE2 GLN C 11 49.090 -15.216 7.843 1.00 0.00 N ATOM 0 H GLN C 11 53.062 -13.799 4.791 1.00 0.00 H new ATOM 0 HA GLN C 11 51.186 -15.715 3.397 1.00 0.00 H new ATOM 0 HB2 GLN C 11 51.219 -13.807 5.745 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.716 -13.898 4.848 1.00 0.00 H new ATOM 0 HG2 GLN C 11 50.167 -16.554 5.041 1.00 0.00 H new ATOM 0 HG3 GLN C 11 51.116 -16.061 6.430 1.00 0.00 H new ATOM 0 HE21 GLN C 11 50.001 -15.030 8.263 1.00 0.00 H new ATOM 0 HE22 GLN C 11 48.241 -15.104 8.397 1.00 0.00 H new ATOM 174 N LEU C 12 51.808 -12.651 2.601 1.00 0.00 N ATOM 175 CA LEU C 12 51.504 -11.633 1.556 1.00 0.00 C ATOM 176 C LEU C 12 51.348 -12.311 0.192 1.00 0.00 C ATOM 177 O LEU C 12 52.291 -12.840 -0.362 1.00 0.00 O ATOM 178 CB LEU C 12 52.707 -10.690 1.556 1.00 0.00 C ATOM 179 CG LEU C 12 52.405 -9.485 2.446 1.00 0.00 C ATOM 180 CD1 LEU C 12 53.685 -8.677 2.667 1.00 0.00 C ATOM 181 CD2 LEU C 12 51.357 -8.602 1.766 1.00 0.00 C ATOM 0 H LEU C 12 52.618 -12.446 3.187 1.00 0.00 H new ATOM 0 HA LEU C 12 50.574 -11.101 1.754 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.592 -11.212 1.919 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.925 -10.361 0.540 1.00 0.00 H new ATOM 0 HG LEU C 12 52.024 -9.830 3.407 1.00 0.00 H new ATOM 0 HD11 LEU C 12 53.468 -7.818 3.302 1.00 0.00 H new ATOM 0 HD12 LEU C 12 54.433 -9.305 3.150 1.00 0.00 H new ATOM 0 HD13 LEU C 12 54.067 -8.331 1.707 1.00 0.00 H new ATOM 0 HD21 LEU C 12 51.140 -7.742 2.399 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.739 -8.258 0.805 1.00 0.00 H new ATOM 0 HD23 LEU C 12 50.444 -9.176 1.609 1.00 0.00 H new ATOM 193 N THR C 13 50.160 -12.305 -0.348 1.00 0.00 N ATOM 194 CA THR C 13 49.940 -12.956 -1.671 1.00 0.00 C ATOM 195 C THR C 13 50.801 -12.286 -2.747 1.00 0.00 C ATOM 196 O THR C 13 51.472 -11.305 -2.498 1.00 0.00 O ATOM 197 CB THR C 13 48.454 -12.750 -1.968 1.00 0.00 C ATOM 198 OG1 THR C 13 48.139 -11.369 -1.858 1.00 0.00 O ATOM 199 CG2 THR C 13 47.618 -13.549 -0.967 1.00 0.00 C ATOM 0 H THR C 13 49.333 -11.878 0.069 1.00 0.00 H new ATOM 0 HA THR C 13 50.214 -14.011 -1.662 1.00 0.00 H new ATOM 0 HB THR C 13 48.232 -13.094 -2.978 1.00 0.00 H new ATOM 0 HG1 THR C 13 47.187 -11.234 -2.049 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.559 -13.402 -1.179 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.862 -14.608 -1.053 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.837 -13.207 0.045 1.00 0.00 H new ATOM 207 N GLU C 14 50.787 -12.813 -3.941 1.00 0.00 N ATOM 208 CA GLU C 14 51.605 -12.210 -5.033 1.00 0.00 C ATOM 209 C GLU C 14 51.006 -10.871 -5.469 1.00 0.00 C ATOM 210 O GLU C 14 51.715 -9.954 -5.837 1.00 0.00 O ATOM 211 CB GLU C 14 51.546 -13.223 -6.177 1.00 0.00 C ATOM 212 CG GLU C 14 52.327 -12.686 -7.378 1.00 0.00 C ATOM 213 CD GLU C 14 51.602 -13.066 -8.670 1.00 0.00 C ATOM 214 OE1 GLU C 14 50.759 -12.297 -9.103 1.00 0.00 O ATOM 215 OE2 GLU C 14 51.905 -14.119 -9.207 1.00 0.00 O ATOM 0 H GLU C 14 50.245 -13.635 -4.208 1.00 0.00 H new ATOM 0 HA GLU C 14 52.629 -12.009 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU C 14 51.965 -14.176 -5.854 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.510 -13.409 -6.458 1.00 0.00 H new ATOM 0 HG2 GLU C 14 52.423 -11.603 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU C 14 53.337 -13.096 -7.381 1.00 0.00 H new ATOM 222 N GLU C 15 49.708 -10.746 -5.430 1.00 0.00 N ATOM 223 CA GLU C 15 49.072 -9.462 -5.842 1.00 0.00 C ATOM 224 C GLU C 15 49.583 -8.317 -4.963 1.00 0.00 C ATOM 225 O GLU C 15 49.476 -7.159 -5.311 1.00 0.00 O ATOM 226 CB GLU C 15 47.573 -9.675 -5.631 1.00 0.00 C ATOM 227 CG GLU C 15 46.796 -8.928 -6.718 1.00 0.00 C ATOM 228 CD GLU C 15 46.924 -9.676 -8.045 1.00 0.00 C ATOM 229 OE1 GLU C 15 46.156 -10.601 -8.259 1.00 0.00 O ATOM 230 OE2 GLU C 15 47.786 -9.312 -8.828 1.00 0.00 O ATOM 0 H GLU C 15 49.061 -11.476 -5.131 1.00 0.00 H new ATOM 0 HA GLU C 15 49.302 -9.198 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU C 15 47.337 -10.739 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU C 15 47.278 -9.315 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU C 15 45.746 -8.844 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU C 15 47.181 -7.913 -6.822 1.00 0.00 H new ATOM 237 N GLN C 16 50.140 -8.635 -3.824 1.00 0.00 N ATOM 238 CA GLN C 16 50.661 -7.564 -2.923 1.00 0.00 C ATOM 239 C GLN C 16 52.046 -7.119 -3.393 1.00 0.00 C ATOM 240 O GLN C 16 52.229 -6.012 -3.861 1.00 0.00 O ATOM 241 CB GLN C 16 50.757 -8.198 -1.531 1.00 0.00 C ATOM 242 CG GLN C 16 49.593 -9.164 -1.309 1.00 0.00 C ATOM 243 CD GLN C 16 48.956 -8.891 0.055 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.706 -9.805 0.817 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.680 -7.663 0.397 1.00 0.00 N ATOM 0 H GLN C 16 50.257 -9.588 -3.479 1.00 0.00 H new ATOM 0 HA GLN C 16 50.014 -6.687 -2.920 1.00 0.00 H new ATOM 0 HB2 GLN C 16 51.704 -8.729 -1.430 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.744 -7.420 -0.768 1.00 0.00 H new ATOM 0 HG2 GLN C 16 48.852 -9.044 -2.099 1.00 0.00 H new ATOM 0 HG3 GLN C 16 49.947 -10.194 -1.357 1.00 0.00 H new ATOM 0 HE21 GLN C 16 48.890 -6.896 -0.242 1.00 0.00 H new ATOM 0 HE22 GLN C 16 48.255 -7.469 1.304 1.00 0.00 H new ATOM 254 N LYS C 17 53.021 -7.976 -3.273 1.00 0.00 N ATOM 255 CA LYS C 17 54.397 -7.603 -3.714 1.00 0.00 C ATOM 256 C LYS C 17 54.366 -7.088 -5.155 1.00 0.00 C ATOM 257 O LYS C 17 55.139 -6.231 -5.535 1.00 0.00 O ATOM 258 CB LYS C 17 55.211 -8.895 -3.620 1.00 0.00 C ATOM 259 CG LYS C 17 54.678 -9.910 -4.632 1.00 0.00 C ATOM 260 CD LYS C 17 55.288 -11.284 -4.344 1.00 0.00 C ATOM 261 CE LYS C 17 56.664 -11.381 -5.009 1.00 0.00 C ATOM 262 NZ LYS C 17 56.695 -12.730 -5.644 1.00 0.00 N ATOM 0 H LYS C 17 52.927 -8.917 -2.890 1.00 0.00 H new ATOM 0 HA LYS C 17 54.826 -6.810 -3.102 1.00 0.00 H new ATOM 0 HB2 LYS C 17 56.263 -8.689 -3.816 1.00 0.00 H new ATOM 0 HB3 LYS C 17 55.148 -9.304 -2.612 1.00 0.00 H new ATOM 0 HG2 LYS C 17 53.591 -9.963 -4.572 1.00 0.00 H new ATOM 0 HG3 LYS C 17 54.927 -9.595 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS C 17 55.381 -11.434 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS C 17 54.634 -12.070 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS C 17 56.800 -10.593 -5.750 1.00 0.00 H new ATOM 0 HE3 LYS C 17 57.464 -11.271 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 57.609 -12.869 -6.120 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 56.570 -13.460 -4.914 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 55.927 -12.803 -6.341 1.00 0.00 H new ATOM 276 N ASN C 18 53.475 -7.602 -5.960 1.00 0.00 N ATOM 277 CA ASN C 18 53.395 -7.138 -7.374 1.00 0.00 C ATOM 278 C ASN C 18 53.105 -5.634 -7.417 1.00 0.00 C ATOM 279 O ASN C 18 53.709 -4.898 -8.172 1.00 0.00 O ATOM 280 CB ASN C 18 52.237 -7.930 -7.985 1.00 0.00 C ATOM 281 CG ASN C 18 52.726 -9.326 -8.372 1.00 0.00 C ATOM 282 OD1 ASN C 18 53.739 -9.785 -7.881 1.00 0.00 O ATOM 283 ND2 ASN C 18 52.047 -10.026 -9.238 1.00 0.00 N ATOM 0 H ASN C 18 52.801 -8.322 -5.700 1.00 0.00 H new ATOM 0 HA ASN C 18 54.326 -7.297 -7.918 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.416 -8.005 -7.271 1.00 0.00 H new ATOM 0 HB3 ASN C 18 51.850 -7.412 -8.862 1.00 0.00 H new ATOM 0 HD21 ASN C 18 52.366 -10.958 -9.503 1.00 0.00 H new ATOM 0 HD22 ASN C 18 51.197 -9.642 -9.650 1.00 0.00 H new ATOM 290 N GLU C 19 52.191 -5.174 -6.607 1.00 0.00 N ATOM 291 CA GLU C 19 51.870 -3.718 -6.597 1.00 0.00 C ATOM 292 C GLU C 19 53.040 -2.932 -5.999 1.00 0.00 C ATOM 293 O GLU C 19 53.429 -1.898 -6.502 1.00 0.00 O ATOM 294 CB GLU C 19 50.630 -3.591 -5.711 1.00 0.00 C ATOM 295 CG GLU C 19 49.861 -2.325 -6.090 1.00 0.00 C ATOM 296 CD GLU C 19 48.358 -2.602 -6.030 1.00 0.00 C ATOM 297 OE1 GLU C 19 47.939 -3.605 -6.584 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.652 -1.807 -5.431 1.00 0.00 O ATOM 0 H GLU C 19 51.653 -5.742 -5.953 1.00 0.00 H new ATOM 0 HA GLU C 19 51.695 -3.323 -7.598 1.00 0.00 H new ATOM 0 HB2 GLU C 19 49.992 -4.467 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU C 19 50.922 -3.552 -4.662 1.00 0.00 H new ATOM 0 HG2 GLU C 19 50.119 -1.513 -5.410 1.00 0.00 H new ATOM 0 HG3 GLU C 19 50.142 -2.003 -7.093 1.00 0.00 H new ATOM 305 N PHE C 20 53.603 -3.422 -4.928 1.00 0.00 N ATOM 306 CA PHE C 20 54.750 -2.710 -4.297 1.00 0.00 C ATOM 307 C PHE C 20 55.979 -2.789 -5.205 1.00 0.00 C ATOM 308 O PHE C 20 56.777 -1.873 -5.268 1.00 0.00 O ATOM 309 CB PHE C 20 55.002 -3.454 -2.986 1.00 0.00 C ATOM 310 CG PHE C 20 53.714 -3.539 -2.202 1.00 0.00 C ATOM 311 CD1 PHE C 20 52.995 -2.373 -1.912 1.00 0.00 C ATOM 312 CD2 PHE C 20 53.237 -4.782 -1.767 1.00 0.00 C ATOM 313 CE1 PHE C 20 51.800 -2.450 -1.186 1.00 0.00 C ATOM 314 CE2 PHE C 20 52.042 -4.857 -1.042 1.00 0.00 C ATOM 315 CZ PHE C 20 51.324 -3.692 -0.751 1.00 0.00 C ATOM 0 H PHE C 20 53.318 -4.284 -4.463 1.00 0.00 H new ATOM 0 HA PHE C 20 54.544 -1.653 -4.131 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.383 -4.455 -3.190 1.00 0.00 H new ATOM 0 HB3 PHE C 20 55.763 -2.936 -2.402 1.00 0.00 H new ATOM 0 HD1 PHE C 20 53.362 -1.414 -2.248 1.00 0.00 H new ATOM 0 HD2 PHE C 20 53.791 -5.682 -1.991 1.00 0.00 H new ATOM 0 HE1 PHE C 20 51.246 -1.551 -0.962 1.00 0.00 H new ATOM 0 HE2 PHE C 20 51.674 -5.815 -0.707 1.00 0.00 H new ATOM 0 HZ PHE C 20 50.403 -3.751 -0.191 1.00 0.00 H new ATOM 325 N LYS C 21 56.137 -3.874 -5.913 1.00 0.00 N ATOM 326 CA LYS C 21 57.315 -4.004 -6.818 1.00 0.00 C ATOM 327 C LYS C 21 57.518 -2.702 -7.594 1.00 0.00 C ATOM 328 O LYS C 21 58.613 -2.183 -7.678 1.00 0.00 O ATOM 329 CB LYS C 21 56.964 -5.151 -7.767 1.00 0.00 C ATOM 330 CG LYS C 21 57.660 -6.430 -7.300 1.00 0.00 C ATOM 331 CD LYS C 21 59.166 -6.309 -7.540 1.00 0.00 C ATOM 332 CE LYS C 21 59.467 -6.527 -9.025 1.00 0.00 C ATOM 333 NZ LYS C 21 59.763 -7.981 -9.150 1.00 0.00 N ATOM 0 H LYS C 21 55.504 -4.674 -5.904 1.00 0.00 H new ATOM 0 HA LYS C 21 58.239 -4.201 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS C 21 55.884 -5.300 -7.791 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.275 -4.905 -8.782 1.00 0.00 H new ATOM 0 HG2 LYS C 21 57.462 -6.598 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS C 21 57.263 -7.290 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS C 21 59.517 -5.325 -7.228 1.00 0.00 H new ATOM 0 HD3 LYS C 21 59.701 -7.044 -6.938 1.00 0.00 H new ATOM 0 HE2 LYS C 21 58.617 -6.243 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS C 21 60.314 -5.923 -9.349 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 59.979 -8.207 -10.142 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 60.581 -8.221 -8.554 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 58.936 -8.531 -8.842 1.00 0.00 H new ATOM 347 N ALA C 22 56.468 -2.163 -8.153 1.00 0.00 N ATOM 348 CA ALA C 22 56.607 -0.888 -8.912 1.00 0.00 C ATOM 349 C ALA C 22 57.451 0.099 -8.106 1.00 0.00 C ATOM 350 O ALA C 22 58.441 0.619 -8.582 1.00 0.00 O ATOM 351 CB ALA C 22 55.179 -0.364 -9.078 1.00 0.00 C ATOM 0 H ALA C 22 55.524 -2.549 -8.117 1.00 0.00 H new ATOM 0 HA ALA C 22 57.099 -1.026 -9.875 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.198 0.576 -9.629 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.585 -1.095 -9.627 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.735 -0.200 -8.096 1.00 0.00 H new ATOM 357 N ALA C 23 57.072 0.355 -6.883 1.00 0.00 N ATOM 358 CA ALA C 23 57.859 1.299 -6.043 1.00 0.00 C ATOM 359 C ALA C 23 59.288 0.778 -5.882 1.00 0.00 C ATOM 360 O ALA C 23 60.247 1.466 -6.171 1.00 0.00 O ATOM 361 CB ALA C 23 57.140 1.329 -4.695 1.00 0.00 C ATOM 0 H ALA C 23 56.252 -0.049 -6.431 1.00 0.00 H new ATOM 0 HA ALA C 23 57.927 2.294 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.663 2.006 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.116 1.676 -4.836 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.127 0.327 -4.267 1.00 0.00 H new ATOM 367 N PHE C 24 59.439 -0.439 -5.433 1.00 0.00 N ATOM 368 CA PHE C 24 60.808 -1.005 -5.268 1.00 0.00 C ATOM 369 C PHE C 24 61.627 -0.743 -6.533 1.00 0.00 C ATOM 370 O PHE C 24 62.811 -0.476 -6.476 1.00 0.00 O ATOM 371 CB PHE C 24 60.595 -2.505 -5.066 1.00 0.00 C ATOM 372 CG PHE C 24 61.906 -3.230 -5.257 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.399 -3.457 -6.549 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.629 -3.676 -4.144 1.00 0.00 C ATOM 375 CE1 PHE C 24 63.614 -4.129 -6.726 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.844 -4.347 -4.322 1.00 0.00 C ATOM 377 CZ PHE C 24 64.336 -4.574 -5.613 1.00 0.00 C ATOM 0 H PHE C 24 58.676 -1.064 -5.174 1.00 0.00 H new ATOM 0 HA PHE C 24 61.349 -0.559 -4.433 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.204 -2.696 -4.067 1.00 0.00 H new ATOM 0 HB3 PHE C 24 59.855 -2.877 -5.775 1.00 0.00 H new ATOM 0 HD1 PHE C 24 61.842 -3.114 -7.408 1.00 0.00 H new ATOM 0 HD2 PHE C 24 62.249 -3.502 -3.148 1.00 0.00 H new ATOM 0 HE1 PHE C 24 63.994 -4.304 -7.722 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.402 -4.690 -3.463 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.273 -5.093 -5.750 1.00 0.00 H new ATOM 387 N ASP C 25 61.000 -0.812 -7.675 1.00 0.00 N ATOM 388 CA ASP C 25 61.735 -0.560 -8.946 1.00 0.00 C ATOM 389 C ASP C 25 62.114 0.919 -9.039 1.00 0.00 C ATOM 390 O ASP C 25 63.221 1.265 -9.398 1.00 0.00 O ATOM 391 CB ASP C 25 60.753 -0.936 -10.054 1.00 0.00 C ATOM 392 CG ASP C 25 61.519 -1.539 -11.232 1.00 0.00 C ATOM 393 OD1 ASP C 25 61.732 -2.740 -11.224 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.880 -0.789 -12.124 1.00 0.00 O ATOM 0 H ASP C 25 60.010 -1.032 -7.783 1.00 0.00 H new ATOM 0 HA ASP C 25 62.659 -1.134 -9.016 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.021 -1.651 -9.678 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.200 -0.055 -10.379 1.00 0.00 H new ATOM 399 N ILE C 26 61.202 1.795 -8.713 1.00 0.00 N ATOM 400 CA ILE C 26 61.514 3.251 -8.776 1.00 0.00 C ATOM 401 C ILE C 26 62.444 3.633 -7.621 1.00 0.00 C ATOM 402 O ILE C 26 63.217 4.566 -7.713 1.00 0.00 O ATOM 403 CB ILE C 26 60.163 3.956 -8.636 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.435 3.926 -9.979 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.379 5.411 -8.210 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.413 2.789 -9.973 1.00 0.00 C ATOM 0 H ILE C 26 60.257 1.566 -8.406 1.00 0.00 H new ATOM 0 HA ILE C 26 62.019 3.529 -9.701 1.00 0.00 H new ATOM 0 HB ILE C 26 59.566 3.444 -7.881 1.00 0.00 H new ATOM 0 HG12 ILE C 26 58.936 4.879 -10.157 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.149 3.784 -10.790 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.414 5.908 -8.112 1.00 0.00 H new ATOM 0 HG22 ILE C 26 60.899 5.436 -7.253 1.00 0.00 H new ATOM 0 HG23 ILE C 26 60.977 5.925 -8.962 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.891 2.764 -10.930 1.00 0.00 H new ATOM 0 HD12 ILE C 26 58.925 1.840 -9.814 1.00 0.00 H new ATOM 0 HD13 ILE C 26 57.693 2.951 -9.171 1.00 0.00 H new ATOM 418 N PHE C 27 62.370 2.918 -6.532 1.00 0.00 N ATOM 419 CA PHE C 27 63.243 3.238 -5.366 1.00 0.00 C ATOM 420 C PHE C 27 64.694 2.858 -5.667 1.00 0.00 C ATOM 421 O PHE C 27 65.617 3.441 -5.139 1.00 0.00 O ATOM 422 CB PHE C 27 62.696 2.393 -4.216 1.00 0.00 C ATOM 423 CG PHE C 27 61.744 3.226 -3.391 1.00 0.00 C ATOM 424 CD1 PHE C 27 60.540 3.674 -3.948 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.067 3.552 -2.068 1.00 0.00 C ATOM 426 CE1 PHE C 27 59.659 4.448 -3.182 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.186 4.325 -1.303 1.00 0.00 C ATOM 428 CZ PHE C 27 59.982 4.773 -1.859 1.00 0.00 C ATOM 0 H PHE C 27 61.742 2.125 -6.399 1.00 0.00 H new ATOM 0 HA PHE C 27 63.238 4.302 -5.129 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.183 1.515 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.515 2.033 -3.593 1.00 0.00 H new ATOM 0 HD1 PHE C 27 60.291 3.423 -4.968 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.996 3.207 -1.638 1.00 0.00 H new ATOM 0 HE1 PHE C 27 58.731 4.794 -3.612 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.435 4.576 -0.283 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.303 5.369 -1.268 1.00 0.00 H new ATOM 438 N VAL C 28 64.903 1.885 -6.511 1.00 0.00 N ATOM 439 CA VAL C 28 66.298 1.473 -6.842 1.00 0.00 C ATOM 440 C VAL C 28 66.681 1.989 -8.230 1.00 0.00 C ATOM 441 O VAL C 28 67.716 1.649 -8.768 1.00 0.00 O ATOM 442 CB VAL C 28 66.276 -0.056 -6.825 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.700 -0.544 -5.495 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.404 -0.566 -7.973 1.00 0.00 C ATOM 0 H VAL C 28 64.170 1.358 -6.985 1.00 0.00 H new ATOM 0 HA VAL C 28 67.027 1.876 -6.139 1.00 0.00 H new ATOM 0 HB VAL C 28 67.292 -0.434 -6.942 1.00 0.00 H new ATOM 0 HG11 VAL C 28 65.684 -1.634 -5.483 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.320 -0.181 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL C 28 64.685 -0.165 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.388 -1.656 -7.961 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.389 -0.187 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL C 28 65.813 -0.219 -8.922 1.00 0.00 H new ATOM 454 N LEU C 29 65.851 2.807 -8.815 1.00 0.00 N ATOM 455 CA LEU C 29 66.162 3.348 -10.169 1.00 0.00 C ATOM 456 C LEU C 29 67.632 3.772 -10.251 1.00 0.00 C ATOM 457 O LEU C 29 68.011 4.824 -9.775 1.00 0.00 O ATOM 458 CB LEU C 29 65.244 4.561 -10.324 1.00 0.00 C ATOM 459 CG LEU C 29 64.501 4.473 -11.657 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.522 5.641 -11.773 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.508 4.537 -12.807 1.00 0.00 C ATOM 0 H LEU C 29 64.969 3.125 -8.414 1.00 0.00 H new ATOM 0 HA LEU C 29 66.005 2.610 -10.955 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.531 4.598 -9.500 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.828 5.480 -10.282 1.00 0.00 H new ATOM 0 HG LEU C 29 63.952 3.532 -11.705 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.992 5.579 -12.723 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.804 5.597 -10.954 1.00 0.00 H new ATOM 0 HD13 LEU C 29 64.071 6.582 -11.725 1.00 0.00 H new ATOM 0 HD21 LEU C 29 64.979 4.474 -13.758 1.00 0.00 H new ATOM 0 HD22 LEU C 29 66.057 5.478 -12.758 1.00 0.00 H new ATOM 0 HD23 LEU C 29 66.207 3.705 -12.725 1.00 0.00 H new ATOM 473 N GLY C 30 68.461 2.965 -10.856 1.00 0.00 N ATOM 474 CA GLY C 30 69.904 3.329 -10.972 1.00 0.00 C ATOM 475 C GLY C 30 70.751 2.357 -10.148 1.00 0.00 C ATOM 476 O GLY C 30 71.966 2.393 -10.190 1.00 0.00 O ATOM 0 H GLY C 30 68.203 2.071 -11.274 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.213 3.300 -12.017 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.061 4.349 -10.622 1.00 0.00 H new ATOM 480 N ALA C 31 70.126 1.491 -9.397 1.00 0.00 N ATOM 481 CA ALA C 31 70.904 0.521 -8.572 1.00 0.00 C ATOM 482 C ALA C 31 71.591 -0.511 -9.471 1.00 0.00 C ATOM 483 O ALA C 31 71.312 -0.604 -10.650 1.00 0.00 O ATOM 484 CB ALA C 31 69.870 -0.156 -7.673 1.00 0.00 C ATOM 0 H ALA C 31 69.112 1.413 -9.319 1.00 0.00 H new ATOM 0 HA ALA C 31 71.689 1.010 -7.994 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.366 -0.886 -7.034 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.379 0.595 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.126 -0.660 -8.290 1.00 0.00 H new ATOM 490 N GLU C 32 72.483 -1.289 -8.922 1.00 0.00 N ATOM 491 CA GLU C 32 73.185 -2.315 -9.746 1.00 0.00 C ATOM 492 C GLU C 32 72.591 -3.700 -9.477 1.00 0.00 C ATOM 493 O GLU C 32 72.007 -4.315 -10.346 1.00 0.00 O ATOM 494 CB GLU C 32 74.644 -2.257 -9.294 1.00 0.00 C ATOM 495 CG GLU C 32 75.559 -2.255 -10.522 1.00 0.00 C ATOM 496 CD GLU C 32 76.943 -1.735 -10.129 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.005 -0.834 -9.310 1.00 0.00 O ATOM 498 OE2 GLU C 32 77.917 -2.246 -10.658 1.00 0.00 O ATOM 0 H GLU C 32 72.756 -1.259 -7.940 1.00 0.00 H new ATOM 0 HA GLU C 32 73.085 -2.128 -10.815 1.00 0.00 H new ATOM 0 HB2 GLU C 32 74.816 -1.361 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU C 32 74.873 -3.112 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU C 32 75.640 -3.263 -10.929 1.00 0.00 H new ATOM 0 HG3 GLU C 32 75.133 -1.628 -11.305 1.00 0.00 H new ATOM 505 N ASP C 33 72.734 -4.193 -8.277 1.00 0.00 N ATOM 506 CA ASP C 33 72.174 -5.536 -7.952 1.00 0.00 C ATOM 507 C ASP C 33 70.667 -5.431 -7.705 1.00 0.00 C ATOM 508 O ASP C 33 69.926 -6.369 -7.920 1.00 0.00 O ATOM 509 CB ASP C 33 72.898 -5.971 -6.677 1.00 0.00 C ATOM 510 CG ASP C 33 74.322 -6.410 -7.023 1.00 0.00 C ATOM 511 OD1 ASP C 33 74.666 -6.371 -8.193 1.00 0.00 O ATOM 512 OD2 ASP C 33 75.045 -6.778 -6.112 1.00 0.00 O ATOM 0 H ASP C 33 73.214 -3.725 -7.508 1.00 0.00 H new ATOM 0 HA ASP C 33 72.315 -6.251 -8.763 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.923 -5.149 -5.962 1.00 0.00 H new ATOM 0 HB3 ASP C 33 72.359 -6.790 -6.202 1.00 0.00 H new ATOM 517 N GLY C 34 70.209 -4.294 -7.255 1.00 0.00 N ATOM 518 CA GLY C 34 68.751 -4.130 -6.997 1.00 0.00 C ATOM 519 C GLY C 34 68.517 -3.885 -5.505 1.00 0.00 C ATOM 520 O GLY C 34 67.827 -4.634 -4.844 1.00 0.00 O ATOM 0 H GLY C 34 70.781 -3.473 -7.055 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.360 -3.295 -7.578 1.00 0.00 H new ATOM 0 HA3 GLY C 34 68.212 -5.021 -7.318 1.00 0.00 H new ATOM 524 N CYS C 35 69.085 -2.837 -4.971 1.00 0.00 N ATOM 525 CA CYS C 35 68.891 -2.544 -3.523 1.00 0.00 C ATOM 526 C CYS C 35 68.647 -1.046 -3.322 1.00 0.00 C ATOM 527 O CYS C 35 68.547 -0.291 -4.268 1.00 0.00 O ATOM 528 CB CYS C 35 70.195 -2.972 -2.851 1.00 0.00 C ATOM 529 SG CYS C 35 70.147 -4.752 -2.521 1.00 0.00 S ATOM 0 H CYS C 35 69.673 -2.173 -5.474 1.00 0.00 H new ATOM 0 HA CYS C 35 68.031 -3.067 -3.105 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.043 -2.733 -3.493 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.335 -2.422 -1.920 1.00 0.00 H new ATOM 0 HG CYS C 35 69.524 -4.969 -1.401 1.00 0.00 H new ATOM 535 N ILE C 36 68.548 -0.609 -2.096 1.00 0.00 N ATOM 536 CA ILE C 36 68.309 0.839 -1.842 1.00 0.00 C ATOM 537 C ILE C 36 69.325 1.375 -0.830 1.00 0.00 C ATOM 538 O ILE C 36 69.867 0.640 -0.028 1.00 0.00 O ATOM 539 CB ILE C 36 66.894 0.912 -1.271 1.00 0.00 C ATOM 540 CG1 ILE C 36 65.890 0.478 -2.343 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.589 2.348 -0.840 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.536 0.193 -1.691 1.00 0.00 C ATOM 0 H ILE C 36 68.622 -1.191 -1.262 1.00 0.00 H new ATOM 0 HA ILE C 36 68.416 1.439 -2.745 1.00 0.00 H new ATOM 0 HB ILE C 36 66.816 0.250 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.785 1.259 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.253 -0.413 -2.856 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.579 2.399 -0.433 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.304 2.659 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.667 3.011 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE C 36 63.822 -0.116 -2.455 1.00 0.00 H new ATOM 0 HD12 ILE C 36 64.647 -0.603 -0.955 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.173 1.095 -1.198 1.00 0.00 H new ATOM 554 N SER C 37 69.586 2.650 -0.867 1.00 0.00 N ATOM 555 CA SER C 37 70.568 3.246 0.083 1.00 0.00 C ATOM 556 C SER C 37 70.299 4.741 0.222 1.00 0.00 C ATOM 557 O SER C 37 71.202 5.531 0.395 1.00 0.00 O ATOM 558 CB SER C 37 71.921 3.018 -0.568 1.00 0.00 C ATOM 559 OG SER C 37 72.931 2.999 0.432 1.00 0.00 O ATOM 0 H SER C 37 69.160 3.310 -1.517 1.00 0.00 H new ATOM 0 HA SER C 37 70.511 2.807 1.079 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.919 2.076 -1.116 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.126 3.807 -1.292 1.00 0.00 H new ATOM 0 HG SER C 37 73.804 2.850 0.012 1.00 0.00 H new ATOM 565 N THR C 38 69.057 5.119 0.120 1.00 0.00 N ATOM 566 CA THR C 38 68.652 6.562 0.215 1.00 0.00 C ATOM 567 C THR C 38 68.946 7.273 -1.112 1.00 0.00 C ATOM 568 O THR C 38 68.130 8.020 -1.615 1.00 0.00 O ATOM 569 CB THR C 38 69.453 7.196 1.367 1.00 0.00 C ATOM 570 OG1 THR C 38 70.702 7.671 0.884 1.00 0.00 O ATOM 571 CG2 THR C 38 69.678 6.175 2.488 1.00 0.00 C ATOM 0 H THR C 38 68.280 4.476 -0.029 1.00 0.00 H new ATOM 0 HA THR C 38 67.584 6.655 0.411 1.00 0.00 H new ATOM 0 HB THR C 38 68.883 8.034 1.769 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.235 6.916 0.558 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.246 6.639 3.294 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.715 5.836 2.870 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.234 5.322 2.097 1.00 0.00 H new ATOM 579 N LYS C 39 70.094 7.043 -1.692 1.00 0.00 N ATOM 580 CA LYS C 39 70.412 7.700 -2.991 1.00 0.00 C ATOM 581 C LYS C 39 69.295 7.415 -3.997 1.00 0.00 C ATOM 582 O LYS C 39 68.839 8.292 -4.703 1.00 0.00 O ATOM 583 CB LYS C 39 71.720 7.059 -3.454 1.00 0.00 C ATOM 584 CG LYS C 39 72.904 7.781 -2.811 1.00 0.00 C ATOM 585 CD LYS C 39 74.208 7.251 -3.409 1.00 0.00 C ATOM 586 CE LYS C 39 75.207 8.400 -3.562 1.00 0.00 C ATOM 587 NZ LYS C 39 76.384 7.993 -2.745 1.00 0.00 N ATOM 0 H LYS C 39 70.822 6.431 -1.323 1.00 0.00 H new ATOM 0 HA LYS C 39 70.503 8.782 -2.899 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.735 6.003 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.797 7.110 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.824 8.855 -2.979 1.00 0.00 H new ATOM 0 HG3 LYS C 39 72.896 7.626 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS C 39 74.626 6.476 -2.767 1.00 0.00 H new ATOM 0 HD3 LYS C 39 74.015 6.792 -4.379 1.00 0.00 H new ATOM 0 HE2 LYS C 39 75.483 8.548 -4.606 1.00 0.00 H new ATOM 0 HE3 LYS C 39 74.785 9.340 -3.207 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 77.115 8.731 -2.798 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 76.092 7.866 -1.755 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 76.768 7.098 -3.111 1.00 0.00 H new ATOM 601 N GLU C 40 68.843 6.191 -4.053 1.00 0.00 N ATOM 602 CA GLU C 40 67.744 5.842 -4.997 1.00 0.00 C ATOM 603 C GLU C 40 66.401 5.984 -4.280 1.00 0.00 C ATOM 604 O GLU C 40 65.357 6.081 -4.894 1.00 0.00 O ATOM 605 CB GLU C 40 67.981 4.378 -5.385 1.00 0.00 C ATOM 606 CG GLU C 40 69.472 4.124 -5.620 1.00 0.00 C ATOM 607 CD GLU C 40 69.905 4.790 -6.927 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.638 4.225 -7.975 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.496 5.856 -6.858 1.00 0.00 O ATOM 0 H GLU C 40 69.188 5.417 -3.485 1.00 0.00 H new ATOM 0 HA GLU C 40 67.730 6.490 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.614 3.722 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.418 4.138 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU C 40 70.054 4.520 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.666 3.052 -5.664 1.00 0.00 H new ATOM 616 N LEU C 41 66.432 5.991 -2.976 1.00 0.00 N ATOM 617 CA LEU C 41 65.174 6.120 -2.189 1.00 0.00 C ATOM 618 C LEU C 41 64.772 7.598 -2.076 1.00 0.00 C ATOM 619 O LEU C 41 63.667 7.977 -2.413 1.00 0.00 O ATOM 620 CB LEU C 41 65.530 5.511 -0.820 1.00 0.00 C ATOM 621 CG LEU C 41 64.874 6.294 0.322 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.359 6.108 0.265 1.00 0.00 C ATOM 623 CD2 LEU C 41 65.402 5.772 1.660 1.00 0.00 C ATOM 0 H LEU C 41 67.282 5.912 -2.418 1.00 0.00 H new ATOM 0 HA LEU C 41 64.321 5.617 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.204 4.471 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU C 41 66.612 5.511 -0.690 1.00 0.00 H new ATOM 0 HG LEU C 41 65.112 7.353 0.222 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.893 6.665 1.078 1.00 0.00 H new ATOM 0 HD12 LEU C 41 62.983 6.476 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU C 41 63.118 5.050 0.366 1.00 0.00 H new ATOM 0 HD21 LEU C 41 64.938 6.326 2.476 1.00 0.00 H new ATOM 0 HD22 LEU C 41 65.162 4.713 1.758 1.00 0.00 H new ATOM 0 HD23 LEU C 41 66.483 5.904 1.701 1.00 0.00 H new ATOM 635 N GLY C 42 65.657 8.431 -1.602 1.00 0.00 N ATOM 636 CA GLY C 42 65.322 9.876 -1.463 1.00 0.00 C ATOM 637 C GLY C 42 64.649 10.374 -2.744 1.00 0.00 C ATOM 638 O GLY C 42 63.715 11.149 -2.706 1.00 0.00 O ATOM 0 H GLY C 42 66.598 8.173 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.659 10.025 -0.611 1.00 0.00 H new ATOM 0 HA3 GLY C 42 66.227 10.452 -1.268 1.00 0.00 H new ATOM 642 N LYS C 43 65.118 9.935 -3.880 1.00 0.00 N ATOM 643 CA LYS C 43 64.507 10.387 -5.163 1.00 0.00 C ATOM 644 C LYS C 43 62.979 10.347 -5.068 1.00 0.00 C ATOM 645 O LYS C 43 62.294 11.208 -5.586 1.00 0.00 O ATOM 646 CB LYS C 43 65.007 9.392 -6.211 1.00 0.00 C ATOM 647 CG LYS C 43 66.538 9.360 -6.193 1.00 0.00 C ATOM 648 CD LYS C 43 67.056 8.833 -7.532 1.00 0.00 C ATOM 649 CE LYS C 43 66.815 9.879 -8.623 1.00 0.00 C ATOM 650 NZ LYS C 43 66.411 9.096 -9.824 1.00 0.00 N ATOM 0 H LYS C 43 65.897 9.284 -3.976 1.00 0.00 H new ATOM 0 HA LYS C 43 64.780 11.413 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS C 43 64.609 8.399 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.650 9.679 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS C 43 66.931 10.360 -6.008 1.00 0.00 H new ATOM 0 HG3 LYS C 43 66.889 8.724 -5.380 1.00 0.00 H new ATOM 0 HD2 LYS C 43 68.120 8.608 -7.459 1.00 0.00 H new ATOM 0 HD3 LYS C 43 66.550 7.902 -7.788 1.00 0.00 H new ATOM 0 HE2 LYS C 43 66.036 10.583 -8.330 1.00 0.00 H new ATOM 0 HE3 LYS C 43 67.715 10.462 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 66.228 9.745 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 67.175 8.440 -10.083 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 65.548 8.556 -9.612 1.00 0.00 H new ATOM 664 N VAL C 44 62.436 9.355 -4.414 1.00 0.00 N ATOM 665 CA VAL C 44 60.953 9.266 -4.293 1.00 0.00 C ATOM 666 C VAL C 44 60.436 10.296 -3.285 1.00 0.00 C ATOM 667 O VAL C 44 59.366 10.850 -3.444 1.00 0.00 O ATOM 668 CB VAL C 44 60.681 7.847 -3.798 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.211 7.719 -3.404 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.997 6.850 -4.914 1.00 0.00 C ATOM 0 H VAL C 44 62.955 8.604 -3.959 1.00 0.00 H new ATOM 0 HA VAL C 44 60.451 9.472 -5.238 1.00 0.00 H new ATOM 0 HB VAL C 44 61.309 7.637 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL C 44 59.016 6.707 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL C 44 58.984 8.431 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.583 7.928 -4.270 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.803 5.837 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.368 7.060 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL C 44 62.046 6.941 -5.197 1.00 0.00 H new ATOM 680 N MET C 45 61.184 10.559 -2.249 1.00 0.00 N ATOM 681 CA MET C 45 60.729 11.557 -1.237 1.00 0.00 C ATOM 682 C MET C 45 60.416 12.891 -1.918 1.00 0.00 C ATOM 683 O MET C 45 59.288 13.343 -1.931 1.00 0.00 O ATOM 684 CB MET C 45 61.904 11.707 -0.271 1.00 0.00 C ATOM 685 CG MET C 45 61.793 10.658 0.837 1.00 0.00 C ATOM 686 SD MET C 45 61.772 9.003 0.104 1.00 0.00 S ATOM 687 CE MET C 45 59.992 8.916 -0.211 1.00 0.00 C ATOM 0 H MET C 45 62.089 10.128 -2.059 1.00 0.00 H new ATOM 0 HA MET C 45 59.821 11.242 -0.724 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.846 11.587 -0.806 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.908 12.708 0.161 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.633 10.751 1.526 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.885 10.822 1.417 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.688 7.873 -0.293 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.454 9.387 0.611 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.761 9.436 -1.141 1.00 0.00 H new ATOM 697 N ARG C 46 61.404 13.525 -2.485 1.00 0.00 N ATOM 698 CA ARG C 46 61.158 14.828 -3.166 1.00 0.00 C ATOM 699 C ARG C 46 60.064 14.667 -4.223 1.00 0.00 C ATOM 700 O ARG C 46 59.450 15.626 -4.648 1.00 0.00 O ATOM 701 CB ARG C 46 62.492 15.188 -3.821 1.00 0.00 C ATOM 702 CG ARG C 46 62.741 14.258 -5.009 1.00 0.00 C ATOM 703 CD ARG C 46 64.180 14.431 -5.500 1.00 0.00 C ATOM 704 NE ARG C 46 64.181 15.726 -6.235 1.00 0.00 N ATOM 705 CZ ARG C 46 64.249 16.849 -5.576 1.00 0.00 C ATOM 706 NH1 ARG C 46 65.069 16.965 -4.567 1.00 0.00 N ATOM 707 NH2 ARG C 46 63.497 17.857 -5.925 1.00 0.00 N ATOM 0 H ARG C 46 62.370 13.198 -2.507 1.00 0.00 H new ATOM 0 HA ARG C 46 60.822 15.602 -2.476 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.478 16.226 -4.154 1.00 0.00 H new ATOM 0 HB3 ARG C 46 63.302 15.096 -3.097 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.567 13.222 -4.716 1.00 0.00 H new ATOM 0 HG3 ARG C 46 62.041 14.483 -5.814 1.00 0.00 H new ATOM 0 HD2 ARG C 46 64.882 14.449 -4.667 1.00 0.00 H new ATOM 0 HD3 ARG C 46 64.477 13.608 -6.150 1.00 0.00 H new ATOM 0 HE ARG C 46 64.129 15.735 -7.254 1.00 0.00 H new ATOM 0 HH11 ARG C 46 65.657 16.177 -4.294 1.00 0.00 H new ATOM 0 HH12 ARG C 46 65.122 17.844 -4.051 1.00 0.00 H new ATOM 0 HH21 ARG C 46 62.856 17.766 -6.713 1.00 0.00 H new ATOM 0 HH22 ARG C 46 63.550 18.736 -5.409 1.00 0.00 H new ATOM 721 N MET C 47 59.812 13.458 -4.648 1.00 0.00 N ATOM 722 CA MET C 47 58.756 13.233 -5.676 1.00 0.00 C ATOM 723 C MET C 47 57.386 13.131 -5.003 1.00 0.00 C ATOM 724 O MET C 47 56.393 13.608 -5.517 1.00 0.00 O ATOM 725 CB MET C 47 59.124 11.906 -6.340 1.00 0.00 C ATOM 726 CG MET C 47 59.799 12.176 -7.686 1.00 0.00 C ATOM 727 SD MET C 47 60.897 10.796 -8.097 1.00 0.00 S ATOM 728 CE MET C 47 59.614 9.631 -8.621 1.00 0.00 C ATOM 0 H MET C 47 60.292 12.617 -4.328 1.00 0.00 H new ATOM 0 HA MET C 47 58.700 14.047 -6.398 1.00 0.00 H new ATOM 0 HB2 MET C 47 59.793 11.338 -5.694 1.00 0.00 H new ATOM 0 HB3 MET C 47 58.230 11.300 -6.485 1.00 0.00 H new ATOM 0 HG2 MET C 47 59.046 12.300 -8.464 1.00 0.00 H new ATOM 0 HG3 MET C 47 60.367 13.105 -7.641 1.00 0.00 H new ATOM 0 HE1 MET C 47 60.014 8.972 -9.392 1.00 0.00 H new ATOM 0 HE2 MET C 47 59.292 9.036 -7.766 1.00 0.00 H new ATOM 0 HE3 MET C 47 58.763 10.183 -9.021 1.00 0.00 H new ATOM 738 N LEU C 48 57.323 12.513 -3.855 1.00 0.00 N ATOM 739 CA LEU C 48 56.016 12.380 -3.149 1.00 0.00 C ATOM 740 C LEU C 48 55.542 13.749 -2.655 1.00 0.00 C ATOM 741 O LEU C 48 54.403 13.922 -2.270 1.00 0.00 O ATOM 742 CB LEU C 48 56.293 11.451 -1.965 1.00 0.00 C ATOM 743 CG LEU C 48 56.558 10.031 -2.470 1.00 0.00 C ATOM 744 CD1 LEU C 48 57.030 9.158 -1.307 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.269 9.443 -3.049 1.00 0.00 C ATOM 0 H LEU C 48 58.120 12.094 -3.375 1.00 0.00 H new ATOM 0 HA LEU C 48 55.235 11.987 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.153 11.812 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU C 48 55.442 11.452 -1.284 1.00 0.00 H new ATOM 0 HG LEU C 48 57.325 10.061 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.219 8.146 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.948 9.573 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.260 9.132 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.460 8.432 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.502 9.415 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU C 48 54.926 10.063 -3.877 1.00 0.00 H new ATOM 757 N GLY C 49 56.410 14.724 -2.662 1.00 0.00 N ATOM 758 CA GLY C 49 56.011 16.080 -2.191 1.00 0.00 C ATOM 759 C GLY C 49 56.608 16.331 -0.806 1.00 0.00 C ATOM 760 O GLY C 49 56.182 17.211 -0.085 1.00 0.00 O ATOM 0 H GLY C 49 57.378 14.640 -2.973 1.00 0.00 H new ATOM 0 HA2 GLY C 49 56.359 16.838 -2.892 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.925 16.158 -2.151 1.00 0.00 H new ATOM 764 N GLN C 50 57.592 15.561 -0.428 1.00 0.00 N ATOM 765 CA GLN C 50 58.218 15.751 0.911 1.00 0.00 C ATOM 766 C GLN C 50 59.734 15.562 0.813 1.00 0.00 C ATOM 767 O GLN C 50 60.233 14.942 -0.106 1.00 0.00 O ATOM 768 CB GLN C 50 57.597 14.668 1.795 1.00 0.00 C ATOM 769 CG GLN C 50 57.114 15.294 3.104 1.00 0.00 C ATOM 770 CD GLN C 50 58.158 15.062 4.196 1.00 0.00 C ATOM 771 OE1 GLN C 50 58.527 13.937 4.472 1.00 0.00 O ATOM 772 NE2 GLN C 50 58.654 16.086 4.837 1.00 0.00 N ATOM 0 H GLN C 50 57.990 14.808 -0.989 1.00 0.00 H new ATOM 0 HA GLN C 50 58.047 16.750 1.312 1.00 0.00 H new ATOM 0 HB2 GLN C 50 56.763 14.194 1.277 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.329 13.887 2.001 1.00 0.00 H new ATOM 0 HG2 GLN C 50 56.946 16.362 2.968 1.00 0.00 H new ATOM 0 HG3 GLN C 50 56.160 14.856 3.399 1.00 0.00 H new ATOM 0 HE21 GLN C 50 58.345 17.030 4.606 1.00 0.00 H new ATOM 0 HE22 GLN C 50 59.350 15.941 5.568 1.00 0.00 H new ATOM 781 N ASN C 51 60.471 16.090 1.750 1.00 0.00 N ATOM 782 CA ASN C 51 61.954 15.939 1.705 1.00 0.00 C ATOM 783 C ASN C 51 62.528 15.912 3.124 1.00 0.00 C ATOM 784 O ASN C 51 62.889 16.937 3.668 1.00 0.00 O ATOM 785 CB ASN C 51 62.452 17.170 0.946 1.00 0.00 C ATOM 786 CG ASN C 51 63.938 17.006 0.624 1.00 0.00 C ATOM 787 OD1 ASN C 51 64.697 16.514 1.435 1.00 0.00 O ATOM 788 ND2 ASN C 51 64.389 17.401 -0.535 1.00 0.00 N ATOM 0 H ASN C 51 60.112 16.619 2.545 1.00 0.00 H new ATOM 0 HA ASN C 51 62.261 15.011 1.223 1.00 0.00 H new ATOM 0 HB2 ASN C 51 61.882 17.298 0.026 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.296 18.067 1.545 1.00 0.00 H new ATOM 0 HD21 ASN C 51 65.378 17.297 -0.760 1.00 0.00 H new ATOM 0 HD22 ASN C 51 63.752 17.814 -1.216 1.00 0.00 H new ATOM 795 N PRO C 52 62.593 14.731 3.676 1.00 0.00 N ATOM 796 CA PRO C 52 63.130 14.560 5.048 1.00 0.00 C ATOM 797 C PRO C 52 64.648 14.763 5.055 1.00 0.00 C ATOM 798 O PRO C 52 65.285 14.792 4.021 1.00 0.00 O ATOM 799 CB PRO C 52 62.772 13.116 5.394 1.00 0.00 C ATOM 800 CG PRO C 52 62.646 12.425 4.073 1.00 0.00 C ATOM 801 CD PRO C 52 62.178 13.457 3.081 1.00 0.00 C ATOM 0 HA PRO C 52 62.724 15.277 5.761 1.00 0.00 H new ATOM 0 HB2 PRO C 52 63.544 12.654 6.010 1.00 0.00 H new ATOM 0 HB3 PRO C 52 61.841 13.064 5.958 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.602 12.001 3.767 1.00 0.00 H new ATOM 0 HG3 PRO C 52 61.937 11.600 4.135 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.633 13.306 2.102 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.098 13.415 2.940 1.00 0.00 H new ATOM 809 N THR C 53 65.231 14.905 6.214 1.00 0.00 N ATOM 810 CA THR C 53 66.706 15.107 6.285 1.00 0.00 C ATOM 811 C THR C 53 67.435 13.839 5.832 1.00 0.00 C ATOM 812 O THR C 53 66.830 12.795 5.691 1.00 0.00 O ATOM 813 CB THR C 53 66.994 15.390 7.760 1.00 0.00 C ATOM 814 OG1 THR C 53 66.144 14.588 8.569 1.00 0.00 O ATOM 815 CG2 THR C 53 66.740 16.867 8.058 1.00 0.00 C ATOM 0 H THR C 53 64.750 14.890 7.114 1.00 0.00 H new ATOM 0 HA THR C 53 67.044 15.917 5.639 1.00 0.00 H new ATOM 0 HB THR C 53 68.035 15.153 7.979 1.00 0.00 H new ATOM 0 HG1 THR C 53 66.328 14.767 9.515 1.00 0.00 H new ATOM 0 HG21 THR C 53 66.946 17.067 9.110 1.00 0.00 H new ATOM 0 HG22 THR C 53 67.393 17.481 7.438 1.00 0.00 H new ATOM 0 HG23 THR C 53 65.700 17.109 7.840 1.00 0.00 H new ATOM 823 N PRO C 54 68.717 13.972 5.627 1.00 0.00 N ATOM 824 CA PRO C 54 69.540 12.818 5.195 1.00 0.00 C ATOM 825 C PRO C 54 69.695 11.827 6.350 1.00 0.00 C ATOM 826 O PRO C 54 69.992 10.665 6.151 1.00 0.00 O ATOM 827 CB PRO C 54 70.879 13.449 4.826 1.00 0.00 C ATOM 828 CG PRO C 54 70.936 14.720 5.612 1.00 0.00 C ATOM 829 CD PRO C 54 69.514 15.194 5.778 1.00 0.00 C ATOM 0 HA PRO C 54 69.104 12.258 4.368 1.00 0.00 H new ATOM 0 HB2 PRO C 54 71.709 12.790 5.080 1.00 0.00 H new ATOM 0 HB3 PRO C 54 70.942 13.644 3.755 1.00 0.00 H new ATOM 0 HG2 PRO C 54 71.404 14.554 6.582 1.00 0.00 H new ATOM 0 HG3 PRO C 54 71.535 15.469 5.093 1.00 0.00 H new ATOM 0 HD2 PRO C 54 69.358 15.655 6.753 1.00 0.00 H new ATOM 0 HD3 PRO C 54 69.250 15.939 5.027 1.00 0.00 H new ATOM 837 N GLU C 55 69.485 12.278 7.557 1.00 0.00 N ATOM 838 CA GLU C 55 69.609 11.364 8.727 1.00 0.00 C ATOM 839 C GLU C 55 68.372 10.468 8.814 1.00 0.00 C ATOM 840 O GLU C 55 68.464 9.286 9.080 1.00 0.00 O ATOM 841 CB GLU C 55 69.694 12.284 9.946 1.00 0.00 C ATOM 842 CG GLU C 55 69.752 11.439 11.220 1.00 0.00 C ATOM 843 CD GLU C 55 69.123 12.215 12.379 1.00 0.00 C ATOM 844 OE1 GLU C 55 69.773 13.115 12.885 1.00 0.00 O ATOM 845 OE2 GLU C 55 68.003 11.894 12.742 1.00 0.00 O ATOM 0 H GLU C 55 69.233 13.240 7.783 1.00 0.00 H new ATOM 0 HA GLU C 55 70.478 10.710 8.656 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.579 12.917 9.876 1.00 0.00 H new ATOM 0 HB3 GLU C 55 68.829 12.947 9.976 1.00 0.00 H new ATOM 0 HG2 GLU C 55 69.223 10.498 11.069 1.00 0.00 H new ATOM 0 HG3 GLU C 55 70.786 11.188 11.456 1.00 0.00 H new ATOM 852 N GLU C 56 67.213 11.023 8.583 1.00 0.00 N ATOM 853 CA GLU C 56 65.967 10.208 8.644 1.00 0.00 C ATOM 854 C GLU C 56 65.932 9.225 7.469 1.00 0.00 C ATOM 855 O GLU C 56 65.327 8.174 7.542 1.00 0.00 O ATOM 856 CB GLU C 56 64.827 11.222 8.537 1.00 0.00 C ATOM 857 CG GLU C 56 63.482 10.499 8.638 1.00 0.00 C ATOM 858 CD GLU C 56 62.374 11.519 8.904 1.00 0.00 C ATOM 859 OE1 GLU C 56 62.060 12.274 7.999 1.00 0.00 O ATOM 860 OE2 GLU C 56 61.857 11.528 10.010 1.00 0.00 O ATOM 0 H GLU C 56 67.076 12.007 8.354 1.00 0.00 H new ATOM 0 HA GLU C 56 65.896 9.617 9.557 1.00 0.00 H new ATOM 0 HB2 GLU C 56 64.912 11.964 9.331 1.00 0.00 H new ATOM 0 HB3 GLU C 56 64.892 11.758 7.590 1.00 0.00 H new ATOM 0 HG2 GLU C 56 63.278 9.957 7.715 1.00 0.00 H new ATOM 0 HG3 GLU C 56 63.513 9.762 9.440 1.00 0.00 H new ATOM 867 N LEU C 57 66.583 9.558 6.388 1.00 0.00 N ATOM 868 CA LEU C 57 66.595 8.642 5.211 1.00 0.00 C ATOM 869 C LEU C 57 67.115 7.266 5.629 1.00 0.00 C ATOM 870 O LEU C 57 66.434 6.269 5.503 1.00 0.00 O ATOM 871 CB LEU C 57 67.549 9.296 4.212 1.00 0.00 C ATOM 872 CG LEU C 57 66.767 9.745 2.978 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.741 10.250 1.911 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.972 8.563 2.422 1.00 0.00 C ATOM 0 H LEU C 57 67.107 10.425 6.268 1.00 0.00 H new ATOM 0 HA LEU C 57 65.602 8.494 4.786 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.044 10.151 4.672 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.330 8.592 3.924 1.00 0.00 H new ATOM 0 HG LEU C 57 66.083 10.547 3.254 1.00 0.00 H new ATOM 0 HD11 LEU C 57 67.183 10.570 1.031 1.00 0.00 H new ATOM 0 HD12 LEU C 57 68.309 11.092 2.306 1.00 0.00 H new ATOM 0 HD13 LEU C 57 68.426 9.448 1.634 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.414 8.882 1.542 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.657 7.761 2.146 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.278 8.202 3.181 1.00 0.00 H new ATOM 886 N GLN C 58 68.317 7.207 6.133 1.00 0.00 N ATOM 887 CA GLN C 58 68.877 5.896 6.567 1.00 0.00 C ATOM 888 C GLN C 58 67.848 5.150 7.418 1.00 0.00 C ATOM 889 O GLN C 58 67.653 3.960 7.273 1.00 0.00 O ATOM 890 CB GLN C 58 70.110 6.250 7.399 1.00 0.00 C ATOM 891 CG GLN C 58 71.225 5.241 7.118 1.00 0.00 C ATOM 892 CD GLN C 58 70.726 3.828 7.425 1.00 0.00 C ATOM 893 OE1 GLN C 58 70.039 3.613 8.403 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.044 2.849 6.623 1.00 0.00 N ATOM 0 H GLN C 58 68.935 8.008 6.263 1.00 0.00 H new ATOM 0 HA GLN C 58 69.128 5.249 5.727 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.448 7.258 7.157 1.00 0.00 H new ATOM 0 HB3 GLN C 58 69.859 6.244 8.460 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.537 5.309 6.076 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.099 5.470 7.728 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.621 3.030 5.802 1.00 0.00 H new ATOM 0 HE22 GLN C 58 70.716 1.903 6.818 1.00 0.00 H new ATOM 903 N GLU C 59 67.186 5.844 8.302 1.00 0.00 N ATOM 904 CA GLU C 59 66.164 5.178 9.160 1.00 0.00 C ATOM 905 C GLU C 59 65.226 4.337 8.291 1.00 0.00 C ATOM 906 O GLU C 59 64.994 3.175 8.554 1.00 0.00 O ATOM 907 CB GLU C 59 65.400 6.323 9.827 1.00 0.00 C ATOM 908 CG GLU C 59 65.674 6.309 11.332 1.00 0.00 C ATOM 909 CD GLU C 59 64.921 7.461 12.000 1.00 0.00 C ATOM 910 OE1 GLU C 59 63.761 7.271 12.329 1.00 0.00 O ATOM 911 OE2 GLU C 59 65.516 8.511 12.171 1.00 0.00 O ATOM 0 H GLU C 59 67.308 6.843 8.468 1.00 0.00 H new ATOM 0 HA GLU C 59 66.608 4.507 9.895 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.707 7.277 9.399 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.331 6.219 9.640 1.00 0.00 H new ATOM 0 HG2 GLU C 59 65.359 5.358 11.761 1.00 0.00 H new ATOM 0 HG3 GLU C 59 66.744 6.404 11.518 1.00 0.00 H new ATOM 918 N MET C 60 64.687 4.919 7.254 1.00 0.00 N ATOM 919 CA MET C 60 63.765 4.154 6.365 1.00 0.00 C ATOM 920 C MET C 60 64.394 2.811 5.986 1.00 0.00 C ATOM 921 O MET C 60 63.712 1.814 5.846 1.00 0.00 O ATOM 922 CB MET C 60 63.594 5.034 5.127 1.00 0.00 C ATOM 923 CG MET C 60 62.443 6.015 5.352 1.00 0.00 C ATOM 924 SD MET C 60 63.100 7.698 5.463 1.00 0.00 S ATOM 925 CE MET C 60 61.934 8.470 4.313 1.00 0.00 C ATOM 0 H MET C 60 64.845 5.890 6.984 1.00 0.00 H new ATOM 0 HA MET C 60 62.811 3.934 6.845 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.516 5.579 4.925 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.392 4.415 4.253 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.726 5.946 4.534 1.00 0.00 H new ATOM 0 HG3 MET C 60 61.908 5.761 6.267 1.00 0.00 H new ATOM 0 HE1 MET C 60 62.371 9.384 3.910 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.718 7.781 3.497 1.00 0.00 H new ATOM 0 HE3 MET C 60 61.010 8.711 4.839 1.00 0.00 H new ATOM 935 N ILE C 61 65.688 2.776 5.819 1.00 0.00 N ATOM 936 CA ILE C 61 66.359 1.497 5.450 1.00 0.00 C ATOM 937 C ILE C 61 66.545 0.619 6.689 1.00 0.00 C ATOM 938 O ILE C 61 66.196 -0.545 6.696 1.00 0.00 O ATOM 939 CB ILE C 61 67.716 1.914 4.879 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.525 2.463 3.462 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.649 0.702 4.832 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.322 3.977 3.526 1.00 0.00 C ATOM 0 H ILE C 61 66.310 3.578 5.922 1.00 0.00 H new ATOM 0 HA ILE C 61 65.776 0.916 4.736 1.00 0.00 H new ATOM 0 HB ILE C 61 68.154 2.684 5.514 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.395 2.227 2.849 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.664 1.989 2.990 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.615 1.002 4.425 1.00 0.00 H new ATOM 0 HG22 ILE C 61 68.786 0.309 5.839 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.212 -0.069 4.198 1.00 0.00 H new ATOM 0 HD11 ILE C 61 67.186 4.369 2.518 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.439 4.201 4.125 1.00 0.00 H new ATOM 0 HD13 ILE C 61 68.196 4.442 3.981 1.00 0.00 H new ATOM 954 N ASP C 62 67.096 1.166 7.737 1.00 0.00 N ATOM 955 CA ASP C 62 67.307 0.361 8.974 1.00 0.00 C ATOM 956 C ASP C 62 65.962 -0.068 9.564 1.00 0.00 C ATOM 957 O ASP C 62 65.848 -1.106 10.185 1.00 0.00 O ATOM 958 CB ASP C 62 68.041 1.297 9.934 1.00 0.00 C ATOM 959 CG ASP C 62 69.095 0.507 10.711 1.00 0.00 C ATOM 960 OD1 ASP C 62 69.958 -0.076 10.075 1.00 0.00 O ATOM 961 OD2 ASP C 62 69.022 0.498 11.928 1.00 0.00 O ATOM 0 H ASP C 62 67.409 2.135 7.791 1.00 0.00 H new ATOM 0 HA ASP C 62 67.872 -0.551 8.782 1.00 0.00 H new ATOM 0 HB2 ASP C 62 68.514 2.107 9.379 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.333 1.755 10.624 1.00 0.00 H new ATOM 966 N GLU C 63 64.941 0.723 9.375 1.00 0.00 N ATOM 967 CA GLU C 63 63.604 0.360 9.926 1.00 0.00 C ATOM 968 C GLU C 63 63.251 -1.084 9.556 1.00 0.00 C ATOM 969 O GLU C 63 62.542 -1.762 10.272 1.00 0.00 O ATOM 970 CB GLU C 63 62.627 1.337 9.271 1.00 0.00 C ATOM 971 CG GLU C 63 61.658 1.877 10.325 1.00 0.00 C ATOM 972 CD GLU C 63 62.251 3.132 10.969 1.00 0.00 C ATOM 973 OE1 GLU C 63 62.330 4.142 10.290 1.00 0.00 O ATOM 974 OE2 GLU C 63 62.616 3.061 12.132 1.00 0.00 O ATOM 0 H GLU C 63 64.975 1.605 8.863 1.00 0.00 H new ATOM 0 HA GLU C 63 63.575 0.423 11.014 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.174 2.159 8.810 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.074 0.836 8.476 1.00 0.00 H new ATOM 0 HG2 GLU C 63 60.698 2.110 9.866 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.472 1.119 11.085 1.00 0.00 H new ATOM 981 N VAL C 64 63.739 -1.558 8.441 1.00 0.00 N ATOM 982 CA VAL C 64 63.425 -2.958 8.029 1.00 0.00 C ATOM 983 C VAL C 64 64.717 -3.759 7.834 1.00 0.00 C ATOM 984 O VAL C 64 64.692 -4.903 7.426 1.00 0.00 O ATOM 985 CB VAL C 64 62.675 -2.824 6.704 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.475 -1.894 6.887 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.613 -2.245 5.642 1.00 0.00 C ATOM 0 H VAL C 64 64.339 -1.039 7.800 1.00 0.00 H new ATOM 0 HA VAL C 64 62.836 -3.484 8.780 1.00 0.00 H new ATOM 0 HB VAL C 64 62.327 -3.806 6.384 1.00 0.00 H new ATOM 0 HG11 VAL C 64 60.941 -1.799 5.942 1.00 0.00 H new ATOM 0 HG12 VAL C 64 60.806 -2.307 7.642 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.822 -0.912 7.208 1.00 0.00 H new ATOM 0 HG21 VAL C 64 63.078 -2.150 4.697 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.963 -1.263 5.962 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.467 -2.909 5.510 1.00 0.00 H new ATOM 997 N ASP C 65 65.844 -3.170 8.123 1.00 0.00 N ATOM 998 CA ASP C 65 67.131 -3.905 7.953 1.00 0.00 C ATOM 999 C ASP C 65 67.233 -5.033 8.985 1.00 0.00 C ATOM 1000 O ASP C 65 66.868 -4.871 10.133 1.00 0.00 O ATOM 1001 CB ASP C 65 68.220 -2.858 8.189 1.00 0.00 C ATOM 1002 CG ASP C 65 69.589 -3.539 8.203 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.016 -3.990 7.153 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.188 -3.599 9.265 1.00 0.00 O ATOM 0 H ASP C 65 65.931 -2.214 8.469 1.00 0.00 H new ATOM 0 HA ASP C 65 67.219 -4.366 6.969 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.187 -2.101 7.406 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.047 -2.345 9.135 1.00 0.00 H new ATOM 1009 N GLU C 66 67.723 -6.175 8.586 1.00 0.00 N ATOM 1010 CA GLU C 66 67.844 -7.311 9.546 1.00 0.00 C ATOM 1011 C GLU C 66 69.266 -7.876 9.523 1.00 0.00 C ATOM 1012 O GLU C 66 69.518 -8.967 9.997 1.00 0.00 O ATOM 1013 CB GLU C 66 66.846 -8.358 9.051 1.00 0.00 C ATOM 1014 CG GLU C 66 65.640 -8.402 9.992 1.00 0.00 C ATOM 1015 CD GLU C 66 64.390 -7.941 9.242 1.00 0.00 C ATOM 1016 OE1 GLU C 66 64.392 -6.820 8.760 1.00 0.00 O ATOM 1017 OE2 GLU C 66 63.451 -8.716 9.162 1.00 0.00 O ATOM 0 H GLU C 66 68.045 -6.371 7.638 1.00 0.00 H new ATOM 0 HA GLU C 66 67.640 -7.005 10.572 1.00 0.00 H new ATOM 0 HB2 GLU C 66 66.522 -8.116 8.039 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.322 -9.337 9.008 1.00 0.00 H new ATOM 0 HG2 GLU C 66 65.497 -9.414 10.370 1.00 0.00 H new ATOM 0 HG3 GLU C 66 65.816 -7.761 10.856 1.00 0.00 H new ATOM 1024 N ASP C 67 70.197 -7.144 8.978 1.00 0.00 N ATOM 1025 CA ASP C 67 71.603 -7.643 8.927 1.00 0.00 C ATOM 1026 C ASP C 67 72.580 -6.464 8.903 1.00 0.00 C ATOM 1027 O ASP C 67 73.721 -6.598 8.509 1.00 0.00 O ATOM 1028 CB ASP C 67 71.693 -8.442 7.626 1.00 0.00 C ATOM 1029 CG ASP C 67 71.205 -7.579 6.462 1.00 0.00 C ATOM 1030 OD1 ASP C 67 70.792 -6.458 6.714 1.00 0.00 O ATOM 1031 OD2 ASP C 67 71.250 -8.052 5.339 1.00 0.00 O ATOM 0 H ASP C 67 70.047 -6.223 8.566 1.00 0.00 H new ATOM 0 HA ASP C 67 71.859 -8.250 9.795 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.721 -8.758 7.452 1.00 0.00 H new ATOM 0 HB3 ASP C 67 71.089 -9.347 7.700 1.00 0.00 H new ATOM 1036 N GLY C 68 72.137 -5.308 9.321 1.00 0.00 N ATOM 1037 CA GLY C 68 73.038 -4.122 9.320 1.00 0.00 C ATOM 1038 C GLY C 68 73.768 -4.035 7.980 1.00 0.00 C ATOM 1039 O GLY C 68 74.879 -3.550 7.896 1.00 0.00 O ATOM 0 H GLY C 68 71.191 -5.135 9.662 1.00 0.00 H new ATOM 0 HA2 GLY C 68 72.460 -3.214 9.491 1.00 0.00 H new ATOM 0 HA3 GLY C 68 73.759 -4.199 10.134 1.00 0.00 H new ATOM 1043 N SER C 69 73.154 -4.503 6.927 1.00 0.00 N ATOM 1044 CA SER C 69 73.816 -4.446 5.592 1.00 0.00 C ATOM 1045 C SER C 69 73.927 -2.995 5.117 1.00 0.00 C ATOM 1046 O SER C 69 74.677 -2.683 4.214 1.00 0.00 O ATOM 1047 CB SER C 69 72.905 -5.247 4.663 1.00 0.00 C ATOM 1048 OG SER C 69 71.549 -5.017 5.024 1.00 0.00 O ATOM 0 H SER C 69 72.224 -4.922 6.933 1.00 0.00 H new ATOM 0 HA SER C 69 74.828 -4.849 5.616 1.00 0.00 H new ATOM 0 HB2 SER C 69 73.073 -4.952 3.627 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.137 -6.310 4.734 1.00 0.00 H new ATOM 0 HG SER C 69 71.386 -5.368 5.925 1.00 0.00 H new ATOM 1054 N GLY C 70 73.185 -2.106 5.719 1.00 0.00 N ATOM 1055 CA GLY C 70 73.249 -0.676 5.301 1.00 0.00 C ATOM 1056 C GLY C 70 72.356 -0.459 4.078 1.00 0.00 C ATOM 1057 O GLY C 70 72.147 0.656 3.641 1.00 0.00 O ATOM 0 H GLY C 70 72.538 -2.307 6.481 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.925 -0.033 6.119 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.277 -0.401 5.067 1.00 0.00 H new ATOM 1061 N THR C 71 71.826 -1.514 3.523 1.00 0.00 N ATOM 1062 CA THR C 71 70.945 -1.365 2.329 1.00 0.00 C ATOM 1063 C THR C 71 69.649 -2.152 2.527 1.00 0.00 C ATOM 1064 O THR C 71 69.539 -2.970 3.420 1.00 0.00 O ATOM 1065 CB THR C 71 71.751 -1.944 1.164 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.244 -3.227 1.525 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.922 -1.018 0.837 1.00 0.00 C ATOM 0 H THR C 71 71.964 -2.472 3.844 1.00 0.00 H new ATOM 0 HA THR C 71 70.663 -0.327 2.152 1.00 0.00 H new ATOM 0 HB THR C 71 71.109 -2.033 0.287 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.759 -3.601 0.780 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.494 -1.433 0.007 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.542 -0.035 0.560 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.567 -0.924 1.711 1.00 0.00 H new ATOM 1075 N VAL C 72 68.666 -1.916 1.702 1.00 0.00 N ATOM 1076 CA VAL C 72 67.379 -2.653 1.847 1.00 0.00 C ATOM 1077 C VAL C 72 67.194 -3.628 0.679 1.00 0.00 C ATOM 1078 O VAL C 72 67.528 -3.330 -0.451 1.00 0.00 O ATOM 1079 CB VAL C 72 66.297 -1.573 1.828 1.00 0.00 C ATOM 1080 CG1 VAL C 72 64.931 -2.223 1.603 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.295 -0.838 3.169 1.00 0.00 C ATOM 0 H VAL C 72 68.698 -1.245 0.934 1.00 0.00 H new ATOM 0 HA VAL C 72 67.342 -3.245 2.761 1.00 0.00 H new ATOM 0 HB VAL C 72 66.500 -0.867 1.023 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.160 -1.453 1.589 1.00 0.00 H new ATOM 0 HG12 VAL C 72 64.932 -2.752 0.650 1.00 0.00 H new ATOM 0 HG13 VAL C 72 64.726 -2.928 2.409 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.525 -0.067 3.160 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.090 -1.546 3.972 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.269 -0.376 3.332 1.00 0.00 H new ATOM 1091 N ASP C 73 66.668 -4.790 0.946 1.00 0.00 N ATOM 1092 CA ASP C 73 66.463 -5.788 -0.145 1.00 0.00 C ATOM 1093 C ASP C 73 64.971 -6.081 -0.321 1.00 0.00 C ATOM 1094 O ASP C 73 64.193 -5.964 0.604 1.00 0.00 O ATOM 1095 CB ASP C 73 67.202 -7.042 0.328 1.00 0.00 C ATOM 1096 CG ASP C 73 68.205 -7.483 -0.740 1.00 0.00 C ATOM 1097 OD1 ASP C 73 69.304 -6.955 -0.746 1.00 0.00 O ATOM 1098 OD2 ASP C 73 67.856 -8.341 -1.534 1.00 0.00 O ATOM 0 H ASP C 73 66.370 -5.094 1.873 1.00 0.00 H new ATOM 0 HA ASP C 73 66.832 -5.432 -1.107 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.720 -6.839 1.265 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.490 -7.843 0.525 1.00 0.00 H new ATOM 1103 N PHE C 74 64.566 -6.464 -1.501 1.00 0.00 N ATOM 1104 CA PHE C 74 63.124 -6.768 -1.730 1.00 0.00 C ATOM 1105 C PHE C 74 62.585 -7.629 -0.585 1.00 0.00 C ATOM 1106 O PHE C 74 61.418 -7.577 -0.251 1.00 0.00 O ATOM 1107 CB PHE C 74 63.085 -7.542 -3.049 1.00 0.00 C ATOM 1108 CG PHE C 74 61.650 -7.753 -3.471 1.00 0.00 C ATOM 1109 CD1 PHE C 74 60.892 -6.675 -3.944 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.079 -9.029 -3.394 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.562 -6.872 -4.338 1.00 0.00 C ATOM 1112 CE2 PHE C 74 59.749 -9.227 -3.787 1.00 0.00 C ATOM 1113 CZ PHE C 74 58.992 -8.149 -4.260 1.00 0.00 C ATOM 0 H PHE C 74 65.169 -6.580 -2.315 1.00 0.00 H new ATOM 0 HA PHE C 74 62.511 -5.868 -1.771 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.624 -6.993 -3.821 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.586 -8.503 -2.933 1.00 0.00 H new ATOM 0 HD1 PHE C 74 61.333 -5.691 -4.005 1.00 0.00 H new ATOM 0 HD2 PHE C 74 61.664 -9.861 -3.031 1.00 0.00 H new ATOM 0 HE1 PHE C 74 58.977 -6.040 -4.701 1.00 0.00 H new ATOM 0 HE2 PHE C 74 59.308 -10.211 -3.725 1.00 0.00 H new ATOM 0 HZ PHE C 74 57.967 -8.302 -4.565 1.00 0.00 H new ATOM 1123 N ASP C 75 63.430 -8.419 0.022 1.00 0.00 N ATOM 1124 CA ASP C 75 62.968 -9.280 1.147 1.00 0.00 C ATOM 1125 C ASP C 75 62.579 -8.410 2.344 1.00 0.00 C ATOM 1126 O ASP C 75 61.505 -8.542 2.897 1.00 0.00 O ATOM 1127 CB ASP C 75 64.170 -10.161 1.491 1.00 0.00 C ATOM 1128 CG ASP C 75 64.437 -11.131 0.338 1.00 0.00 C ATOM 1129 OD1 ASP C 75 63.686 -11.101 -0.622 1.00 0.00 O ATOM 1130 OD2 ASP C 75 65.389 -11.888 0.436 1.00 0.00 O ATOM 0 H ASP C 75 64.419 -8.505 -0.213 1.00 0.00 H new ATOM 0 HA ASP C 75 62.092 -9.874 0.885 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.049 -9.542 1.671 1.00 0.00 H new ATOM 0 HB3 ASP C 75 63.977 -10.715 2.410 1.00 0.00 H new ATOM 1135 N GLU C 76 63.441 -7.515 2.744 1.00 0.00 N ATOM 1136 CA GLU C 76 63.116 -6.632 3.899 1.00 0.00 C ATOM 1137 C GLU C 76 62.194 -5.500 3.444 1.00 0.00 C ATOM 1138 O GLU C 76 61.214 -5.185 4.089 1.00 0.00 O ATOM 1139 CB GLU C 76 64.462 -6.076 4.366 1.00 0.00 C ATOM 1140 CG GLU C 76 65.440 -7.229 4.601 1.00 0.00 C ATOM 1141 CD GLU C 76 66.874 -6.700 4.537 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.153 -5.906 3.655 1.00 0.00 O ATOM 1143 OE2 GLU C 76 67.669 -7.100 5.373 1.00 0.00 O ATOM 0 H GLU C 76 64.356 -7.358 2.321 1.00 0.00 H new ATOM 0 HA GLU C 76 62.600 -7.164 4.698 1.00 0.00 H new ATOM 0 HB2 GLU C 76 64.863 -5.392 3.618 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.332 -5.504 5.284 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.253 -7.687 5.572 1.00 0.00 H new ATOM 0 HG3 GLU C 76 65.293 -8.004 3.849 1.00 0.00 H new ATOM 1150 N PHE C 77 62.500 -4.889 2.333 1.00 0.00 N ATOM 1151 CA PHE C 77 61.641 -3.781 1.831 1.00 0.00 C ATOM 1152 C PHE C 77 60.165 -4.170 1.957 1.00 0.00 C ATOM 1153 O PHE C 77 59.347 -3.400 2.418 1.00 0.00 O ATOM 1154 CB PHE C 77 62.029 -3.616 0.361 1.00 0.00 C ATOM 1155 CG PHE C 77 61.680 -2.221 -0.100 1.00 0.00 C ATOM 1156 CD1 PHE C 77 62.153 -1.111 0.611 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.884 -2.038 -1.237 1.00 0.00 C ATOM 1158 CE1 PHE C 77 61.831 0.183 0.183 1.00 0.00 C ATOM 1159 CE2 PHE C 77 60.562 -0.743 -1.664 1.00 0.00 C ATOM 1160 CZ PHE C 77 61.035 0.366 -0.954 1.00 0.00 C ATOM 0 H PHE C 77 63.308 -5.109 1.751 1.00 0.00 H new ATOM 0 HA PHE C 77 61.779 -2.857 2.393 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.096 -3.796 0.234 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.506 -4.353 -0.249 1.00 0.00 H new ATOM 0 HD1 PHE C 77 62.766 -1.253 1.489 1.00 0.00 H new ATOM 0 HD2 PHE C 77 60.518 -2.894 -1.784 1.00 0.00 H new ATOM 0 HE1 PHE C 77 62.197 1.039 0.730 1.00 0.00 H new ATOM 0 HE2 PHE C 77 59.949 -0.601 -2.541 1.00 0.00 H new ATOM 0 HZ PHE C 77 60.786 1.364 -1.283 1.00 0.00 H new ATOM 1170 N LEU C 78 59.824 -5.362 1.553 1.00 0.00 N ATOM 1171 CA LEU C 78 58.403 -5.802 1.652 1.00 0.00 C ATOM 1172 C LEU C 78 57.894 -5.602 3.083 1.00 0.00 C ATOM 1173 O LEU C 78 56.724 -5.368 3.306 1.00 0.00 O ATOM 1174 CB LEU C 78 58.419 -7.289 1.289 1.00 0.00 C ATOM 1175 CG LEU C 78 57.995 -7.462 -0.171 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.542 -8.783 -0.713 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.467 -7.472 -0.258 1.00 0.00 C ATOM 0 H LEU C 78 60.466 -6.050 1.159 1.00 0.00 H new ATOM 0 HA LEU C 78 57.745 -5.233 0.995 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.417 -7.701 1.440 1.00 0.00 H new ATOM 0 HB3 LEU C 78 57.744 -7.841 1.943 1.00 0.00 H new ATOM 0 HG LEU C 78 58.391 -6.637 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.238 -8.903 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU C 78 59.630 -8.779 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.148 -9.610 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.163 -7.595 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.074 -8.298 0.335 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.075 -6.530 0.126 1.00 0.00 H new ATOM 1189 N VAL C 79 58.767 -5.687 4.051 1.00 0.00 N ATOM 1190 CA VAL C 79 58.335 -5.499 5.467 1.00 0.00 C ATOM 1191 C VAL C 79 58.115 -4.013 5.761 1.00 0.00 C ATOM 1192 O VAL C 79 57.397 -3.650 6.670 1.00 0.00 O ATOM 1193 CB VAL C 79 59.488 -6.044 6.310 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.183 -5.832 7.794 1.00 0.00 C ATOM 1195 CG2 VAL C 79 59.662 -7.539 6.036 1.00 0.00 C ATOM 0 H VAL C 79 59.761 -5.878 3.923 1.00 0.00 H new ATOM 0 HA VAL C 79 57.396 -6.009 5.681 1.00 0.00 H new ATOM 0 HB VAL C 79 60.406 -5.517 6.048 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.006 -6.221 8.394 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.062 -4.767 7.992 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.264 -6.357 8.055 1.00 0.00 H new ATOM 0 HG21 VAL C 79 60.484 -7.926 6.638 1.00 0.00 H new ATOM 0 HG22 VAL C 79 58.744 -8.066 6.295 1.00 0.00 H new ATOM 0 HG23 VAL C 79 59.882 -7.692 4.980 1.00 0.00 H new ATOM 1205 N MET C 80 58.730 -3.152 4.996 1.00 0.00 N ATOM 1206 CA MET C 80 58.558 -1.689 5.232 1.00 0.00 C ATOM 1207 C MET C 80 57.099 -1.282 5.010 1.00 0.00 C ATOM 1208 O MET C 80 56.606 -0.349 5.614 1.00 0.00 O ATOM 1209 CB MET C 80 59.465 -1.015 4.202 1.00 0.00 C ATOM 1210 CG MET C 80 59.880 0.365 4.716 1.00 0.00 C ATOM 1211 SD MET C 80 58.939 1.641 3.843 1.00 0.00 S ATOM 1212 CE MET C 80 59.906 1.629 2.314 1.00 0.00 C ATOM 0 H MET C 80 59.343 -3.398 4.219 1.00 0.00 H new ATOM 0 HA MET C 80 58.813 -1.403 6.252 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.348 -1.629 4.022 1.00 0.00 H new ATOM 0 HB3 MET C 80 58.944 -0.919 3.250 1.00 0.00 H new ATOM 0 HG2 MET C 80 59.700 0.435 5.789 1.00 0.00 H new ATOM 0 HG3 MET C 80 60.948 0.516 4.562 1.00 0.00 H new ATOM 0 HE1 MET C 80 59.728 2.553 1.764 1.00 0.00 H new ATOM 0 HE2 MET C 80 60.966 1.548 2.555 1.00 0.00 H new ATOM 0 HE3 MET C 80 59.607 0.778 1.701 1.00 0.00 H new ATOM 1222 N MET C 81 56.403 -1.975 4.152 1.00 0.00 N ATOM 1223 CA MET C 81 54.976 -1.627 3.896 1.00 0.00 C ATOM 1224 C MET C 81 54.072 -2.324 4.916 1.00 0.00 C ATOM 1225 O MET C 81 53.063 -1.791 5.332 1.00 0.00 O ATOM 1226 CB MET C 81 54.687 -2.141 2.486 1.00 0.00 C ATOM 1227 CG MET C 81 54.865 -1.001 1.480 1.00 0.00 C ATOM 1228 SD MET C 81 53.250 -0.288 1.084 1.00 0.00 S ATOM 1229 CE MET C 81 53.827 1.383 0.698 1.00 0.00 C ATOM 0 H MET C 81 56.760 -2.767 3.617 1.00 0.00 H new ATOM 0 HA MET C 81 54.791 -0.557 3.984 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.360 -2.963 2.242 1.00 0.00 H new ATOM 0 HB3 MET C 81 53.671 -2.533 2.431 1.00 0.00 H new ATOM 0 HG2 MET C 81 55.521 -0.235 1.894 1.00 0.00 H new ATOM 0 HG3 MET C 81 55.342 -1.373 0.573 1.00 0.00 H new ATOM 0 HE1 MET C 81 52.977 2.007 0.422 1.00 0.00 H new ATOM 0 HE2 MET C 81 54.320 1.809 1.572 1.00 0.00 H new ATOM 0 HE3 MET C 81 54.532 1.342 -0.132 1.00 0.00 H new ATOM 1239 N VAL C 82 54.429 -3.512 5.324 1.00 0.00 N ATOM 1240 CA VAL C 82 53.592 -4.238 6.321 1.00 0.00 C ATOM 1241 C VAL C 82 53.429 -3.383 7.578 1.00 0.00 C ATOM 1242 O VAL C 82 52.343 -3.228 8.102 1.00 0.00 O ATOM 1243 CB VAL C 82 54.369 -5.513 6.644 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.574 -6.360 7.639 1.00 0.00 C ATOM 1245 CG2 VAL C 82 54.593 -6.313 5.362 1.00 0.00 C ATOM 0 H VAL C 82 55.262 -4.010 5.011 1.00 0.00 H new ATOM 0 HA VAL C 82 52.593 -4.457 5.943 1.00 0.00 H new ATOM 0 HB VAL C 82 55.332 -5.248 7.081 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.130 -7.269 7.868 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.415 -5.791 8.555 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.610 -6.624 7.204 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.147 -7.223 5.593 1.00 0.00 H new ATOM 0 HG22 VAL C 82 53.630 -6.576 4.924 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.162 -5.712 4.653 1.00 0.00 H new ATOM 1255 N ARG C 83 54.504 -2.826 8.061 1.00 0.00 N ATOM 1256 CA ARG C 83 54.422 -1.975 9.283 1.00 0.00 C ATOM 1257 C ARG C 83 53.287 -0.958 9.144 1.00 0.00 C ATOM 1258 O ARG C 83 52.649 -0.589 10.110 1.00 0.00 O ATOM 1259 CB ARG C 83 55.771 -1.261 9.359 1.00 0.00 C ATOM 1260 CG ARG C 83 56.877 -2.285 9.623 1.00 0.00 C ATOM 1261 CD ARG C 83 58.177 -1.555 9.966 1.00 0.00 C ATOM 1262 NE ARG C 83 58.320 -1.699 11.441 1.00 0.00 N ATOM 1263 CZ ARG C 83 59.492 -1.935 11.963 1.00 0.00 C ATOM 1264 NH1 ARG C 83 60.387 -0.987 12.013 1.00 0.00 N ATOM 1265 NH2 ARG C 83 59.769 -3.119 12.437 1.00 0.00 N ATOM 0 H ARG C 83 55.438 -2.923 7.662 1.00 0.00 H new ATOM 0 HA ARG C 83 54.218 -2.560 10.180 1.00 0.00 H new ATOM 0 HB2 ARG C 83 55.967 -0.731 8.427 1.00 0.00 H new ATOM 0 HB3 ARG C 83 55.755 -0.514 10.153 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.590 -2.943 10.443 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.022 -2.914 8.745 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.026 -1.994 9.442 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.130 -0.506 9.674 1.00 0.00 H new ATOM 0 HE ARG C 83 57.501 -1.613 12.043 1.00 0.00 H new ATOM 0 HH11 ARG C 83 60.170 -0.061 11.644 1.00 0.00 H new ATOM 0 HH12 ARG C 83 61.303 -1.172 12.421 1.00 0.00 H new ATOM 0 HH21 ARG C 83 59.069 -3.860 12.399 1.00 0.00 H new ATOM 0 HH22 ARG C 83 60.685 -3.303 12.845 1.00 0.00 H new ATOM 1279 N CYS C 84 53.033 -0.501 7.948 1.00 0.00 N ATOM 1280 CA CYS C 84 51.941 0.493 7.747 1.00 0.00 C ATOM 1281 C CYS C 84 50.653 -0.217 7.320 1.00 0.00 C ATOM 1282 O CYS C 84 49.982 0.196 6.396 1.00 0.00 O ATOM 1283 CB CYS C 84 52.441 1.411 6.630 1.00 0.00 C ATOM 1284 SG CYS C 84 54.048 2.105 7.093 1.00 0.00 S ATOM 0 H CYS C 84 53.534 -0.773 7.102 1.00 0.00 H new ATOM 0 HA CYS C 84 51.713 1.046 8.658 1.00 0.00 H new ATOM 0 HB2 CYS C 84 52.529 0.853 5.698 1.00 0.00 H new ATOM 0 HB3 CYS C 84 51.723 2.213 6.455 1.00 0.00 H new ATOM 0 HG CYS C 84 54.474 2.883 6.143 1.00 0.00 H new ATOM 1290 N MET C 85 50.303 -1.282 7.987 1.00 0.00 N ATOM 1291 CA MET C 85 49.058 -2.016 7.618 1.00 0.00 C ATOM 1292 C MET C 85 47.891 -1.550 8.491 1.00 0.00 C ATOM 1293 O MET C 85 48.046 -1.299 9.670 1.00 0.00 O ATOM 1294 CB MET C 85 49.374 -3.490 7.883 1.00 0.00 C ATOM 1295 CG MET C 85 49.762 -4.172 6.570 1.00 0.00 C ATOM 1296 SD MET C 85 48.275 -4.462 5.577 1.00 0.00 S ATOM 1297 CE MET C 85 48.801 -3.544 4.110 1.00 0.00 C ATOM 0 H MET C 85 50.824 -1.676 8.771 1.00 0.00 H new ATOM 0 HA MET C 85 48.767 -1.842 6.582 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.187 -3.575 8.604 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.508 -3.986 8.321 1.00 0.00 H new ATOM 0 HG2 MET C 85 50.465 -3.548 6.018 1.00 0.00 H new ATOM 0 HG3 MET C 85 50.266 -5.117 6.774 1.00 0.00 H new ATOM 0 HE1 MET C 85 48.059 -3.664 3.320 1.00 0.00 H new ATOM 0 HE2 MET C 85 48.899 -2.487 4.358 1.00 0.00 H new ATOM 0 HE3 MET C 85 49.762 -3.927 3.767 1.00 0.00 H new ATOM 1411 N SER I 3 52.477 6.170 2.945 1.00 0.00 N ATOM 1412 CA SER I 3 51.371 7.011 2.402 1.00 0.00 C ATOM 1413 C SER I 3 50.963 6.507 1.015 1.00 0.00 C ATOM 1414 O SER I 3 51.194 7.157 0.014 1.00 0.00 O ATOM 1415 CB SER I 3 51.954 8.420 2.308 1.00 0.00 C ATOM 1416 OG SER I 3 52.798 8.654 3.429 1.00 0.00 O ATOM 0 HA SER I 3 50.480 6.980 3.030 1.00 0.00 H new ATOM 0 HB2 SER I 3 52.519 8.531 1.383 1.00 0.00 H new ATOM 0 HB3 SER I 3 51.152 9.157 2.282 1.00 0.00 H new ATOM 0 HG SER I 3 53.244 7.819 3.683 1.00 0.00 H new ATOM 1422 N ALA I 4 50.360 5.352 0.948 1.00 0.00 N ATOM 1423 CA ALA I 4 49.940 4.803 -0.374 1.00 0.00 C ATOM 1424 C ALA I 4 49.151 5.852 -1.163 1.00 0.00 C ATOM 1425 O ALA I 4 49.407 6.086 -2.327 1.00 0.00 O ATOM 1426 CB ALA I 4 49.051 3.603 -0.041 1.00 0.00 C ATOM 0 H ALA I 4 50.139 4.764 1.752 1.00 0.00 H new ATOM 0 HA ALA I 4 50.794 4.521 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA I 4 48.700 3.143 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA I 4 49.623 2.874 0.533 1.00 0.00 H new ATOM 0 HB3 ALA I 4 48.195 3.936 0.546 1.00 0.00 H new ATOM 1432 N ASP I 5 48.192 6.479 -0.541 1.00 0.00 N ATOM 1433 CA ASP I 5 47.384 7.508 -1.259 1.00 0.00 C ATOM 1434 C ASP I 5 48.299 8.509 -1.971 1.00 0.00 C ATOM 1435 O ASP I 5 48.117 8.812 -3.134 1.00 0.00 O ATOM 1436 CB ASP I 5 46.575 8.208 -0.168 1.00 0.00 C ATOM 1437 CG ASP I 5 45.745 9.334 -0.789 1.00 0.00 C ATOM 1438 OD1 ASP I 5 46.308 10.113 -1.541 1.00 0.00 O ATOM 1439 OD2 ASP I 5 44.561 9.397 -0.502 1.00 0.00 O ATOM 0 H ASP I 5 47.932 6.325 0.433 1.00 0.00 H new ATOM 0 HA ASP I 5 46.746 7.066 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP I 5 45.921 7.492 0.330 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.243 8.612 0.592 1.00 0.00 H new ATOM 1444 N ALA I 6 49.275 9.033 -1.281 1.00 0.00 N ATOM 1445 CA ALA I 6 50.193 10.022 -1.918 1.00 0.00 C ATOM 1446 C ALA I 6 51.311 9.310 -2.686 1.00 0.00 C ATOM 1447 O ALA I 6 51.951 9.887 -3.542 1.00 0.00 O ATOM 1448 CB ALA I 6 50.776 10.826 -0.757 1.00 0.00 C ATOM 0 H ALA I 6 49.477 8.820 -0.304 1.00 0.00 H new ATOM 0 HA ALA I 6 49.672 10.653 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA I 6 51.464 11.577 -1.144 1.00 0.00 H new ATOM 0 HB2 ALA I 6 49.969 11.318 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA I 6 51.311 10.157 -0.083 1.00 0.00 H new ATOM 1454 N MET I 7 51.560 8.066 -2.382 1.00 0.00 N ATOM 1455 CA MET I 7 52.645 7.334 -3.096 1.00 0.00 C ATOM 1456 C MET I 7 52.351 7.267 -4.597 1.00 0.00 C ATOM 1457 O MET I 7 53.194 7.571 -5.419 1.00 0.00 O ATOM 1458 CB MET I 7 52.650 5.930 -2.489 1.00 0.00 C ATOM 1459 CG MET I 7 54.095 5.481 -2.240 1.00 0.00 C ATOM 1460 SD MET I 7 55.103 5.811 -3.709 1.00 0.00 S ATOM 1461 CE MET I 7 55.748 4.135 -3.931 1.00 0.00 C ATOM 0 H MET I 7 51.062 7.527 -1.674 1.00 0.00 H new ATOM 0 HA MET I 7 53.610 7.829 -2.986 1.00 0.00 H new ATOM 0 HB2 MET I 7 52.091 5.926 -1.553 1.00 0.00 H new ATOM 0 HB3 MET I 7 52.152 5.231 -3.161 1.00 0.00 H new ATOM 0 HG2 MET I 7 54.506 6.009 -1.380 1.00 0.00 H new ATOM 0 HG3 MET I 7 54.119 4.417 -2.003 1.00 0.00 H new ATOM 0 HE1 MET I 7 56.420 4.115 -4.789 1.00 0.00 H new ATOM 0 HE2 MET I 7 56.292 3.833 -3.036 1.00 0.00 H new ATOM 0 HE3 MET I 7 54.921 3.446 -4.102 1.00 0.00 H new ATOM 1471 N MET I 8 51.164 6.868 -4.965 1.00 0.00 N ATOM 1472 CA MET I 8 50.824 6.779 -6.414 1.00 0.00 C ATOM 1473 C MET I 8 50.484 8.163 -6.973 1.00 0.00 C ATOM 1474 O MET I 8 50.291 8.332 -8.159 1.00 0.00 O ATOM 1475 CB MET I 8 49.601 5.863 -6.479 1.00 0.00 C ATOM 1476 CG MET I 8 50.056 4.411 -6.631 1.00 0.00 C ATOM 1477 SD MET I 8 50.392 3.710 -4.997 1.00 0.00 S ATOM 1478 CE MET I 8 52.195 3.852 -5.055 1.00 0.00 C ATOM 0 H MET I 8 50.416 6.600 -4.326 1.00 0.00 H new ATOM 0 HA MET I 8 51.656 6.397 -7.005 1.00 0.00 H new ATOM 0 HB2 MET I 8 49.002 5.974 -5.575 1.00 0.00 H new ATOM 0 HB3 MET I 8 48.966 6.146 -7.319 1.00 0.00 H new ATOM 0 HG2 MET I 8 49.286 3.829 -7.137 1.00 0.00 H new ATOM 0 HG3 MET I 8 50.951 4.362 -7.251 1.00 0.00 H new ATOM 0 HE1 MET I 8 52.589 3.904 -4.040 1.00 0.00 H new ATOM 0 HE2 MET I 8 52.612 2.982 -5.562 1.00 0.00 H new ATOM 0 HE3 MET I 8 52.472 4.756 -5.598 1.00 0.00 H new ATOM 1488 N GLN I 9 50.407 9.155 -6.131 1.00 0.00 N ATOM 1489 CA GLN I 9 50.077 10.524 -6.622 1.00 0.00 C ATOM 1490 C GLN I 9 51.305 11.162 -7.277 1.00 0.00 C ATOM 1491 O GLN I 9 51.219 11.767 -8.327 1.00 0.00 O ATOM 1492 CB GLN I 9 49.673 11.305 -5.373 1.00 0.00 C ATOM 1493 CG GLN I 9 48.171 11.587 -5.409 1.00 0.00 C ATOM 1494 CD GLN I 9 47.917 12.907 -6.138 1.00 0.00 C ATOM 1495 OE1 GLN I 9 47.645 12.917 -7.322 1.00 0.00 O ATOM 1496 NE2 GLN I 9 47.995 14.029 -5.478 1.00 0.00 N ATOM 0 H GLN I 9 50.558 9.079 -5.125 1.00 0.00 H new ATOM 0 HA GLN I 9 49.286 10.514 -7.372 1.00 0.00 H new ATOM 0 HB2 GLN I 9 49.925 10.736 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN I 9 50.228 12.242 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN I 9 47.650 10.774 -5.914 1.00 0.00 H new ATOM 0 HG3 GLN I 9 47.775 11.638 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN I 9 48.223 14.021 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN I 9 47.828 14.914 -5.956 1.00 0.00 H new ATOM 1505 N ALA I 10 52.447 11.033 -6.659 1.00 0.00 N ATOM 1506 CA ALA I 10 53.682 11.635 -7.238 1.00 0.00 C ATOM 1507 C ALA I 10 54.316 10.683 -8.255 1.00 0.00 C ATOM 1508 O ALA I 10 54.572 11.048 -9.386 1.00 0.00 O ATOM 1509 CB ALA I 10 54.611 11.838 -6.043 1.00 0.00 C ATOM 0 H ALA I 10 52.579 10.537 -5.778 1.00 0.00 H new ATOM 0 HA ALA I 10 53.479 12.567 -7.766 1.00 0.00 H new ATOM 0 HB1 ALA I 10 55.548 12.279 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA I 10 54.136 12.503 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA I 10 54.812 10.876 -5.571 1.00 0.00 H new ATOM 1515 N LEU I 11 54.576 9.466 -7.863 1.00 0.00 N ATOM 1516 CA LEU I 11 55.198 8.496 -8.810 1.00 0.00 C ATOM 1517 C LEU I 11 54.311 7.259 -8.963 1.00 0.00 C ATOM 1518 O LEU I 11 53.218 7.197 -8.437 1.00 0.00 O ATOM 1519 CB LEU I 11 56.542 8.120 -8.179 1.00 0.00 C ATOM 1520 CG LEU I 11 56.376 7.930 -6.669 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.478 7.006 -6.144 1.00 0.00 C ATOM 1522 CD2 LEU I 11 56.480 9.288 -5.972 1.00 0.00 C ATOM 0 H LEU I 11 54.385 9.101 -6.930 1.00 0.00 H new ATOM 0 HA LEU I 11 55.324 8.921 -9.806 1.00 0.00 H new ATOM 0 HB2 LEU I 11 56.921 7.203 -8.630 1.00 0.00 H new ATOM 0 HB3 LEU I 11 57.277 8.900 -8.377 1.00 0.00 H new ATOM 0 HG LEU I 11 55.402 7.486 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU I 11 57.359 6.872 -5.069 1.00 0.00 H new ATOM 0 HD12 LEU I 11 57.409 6.038 -6.641 1.00 0.00 H new ATOM 0 HD13 LEU I 11 58.453 7.449 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU I 11 56.362 9.155 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.455 9.729 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU I 11 55.697 9.949 -6.344 1.00 0.00 H new ATOM 1534 N LEU I 12 54.776 6.273 -9.680 1.00 0.00 N ATOM 1535 CA LEU I 12 53.962 5.038 -9.868 1.00 0.00 C ATOM 1536 C LEU I 12 52.590 5.394 -10.447 1.00 0.00 C ATOM 1537 O LEU I 12 51.578 4.851 -10.052 1.00 0.00 O ATOM 1538 CB LEU I 12 53.814 4.446 -8.465 1.00 0.00 C ATOM 1539 CG LEU I 12 55.154 3.863 -8.011 1.00 0.00 C ATOM 1540 CD1 LEU I 12 55.971 4.945 -7.298 1.00 0.00 C ATOM 1541 CD2 LEU I 12 54.902 2.702 -7.047 1.00 0.00 C ATOM 0 H LEU I 12 55.684 6.269 -10.144 1.00 0.00 H new ATOM 0 HA LEU I 12 54.427 4.336 -10.560 1.00 0.00 H new ATOM 0 HB2 LEU I 12 53.486 5.216 -7.767 1.00 0.00 H new ATOM 0 HB3 LEU I 12 53.049 3.669 -8.466 1.00 0.00 H new ATOM 0 HG LEU I 12 55.706 3.506 -8.880 1.00 0.00 H new ATOM 0 HD11 LEU I 12 56.925 4.527 -6.976 1.00 0.00 H new ATOM 0 HD12 LEU I 12 56.151 5.775 -7.981 1.00 0.00 H new ATOM 0 HD13 LEU I 12 55.420 5.304 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU I 12 55.855 2.285 -6.722 1.00 0.00 H new ATOM 0 HD22 LEU I 12 54.349 3.063 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU I 12 54.321 1.930 -7.551 1.00 0.00 H new