USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 607 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: C 35 SER OG : rot 99:sc= 0.267 USER MOD Set 1.2: C 69 SER OG : rot -122:sc=-0.000735 USER MOD Set 1.3: C 71 THR OG1 : rot 111:sc= 0.572 USER MOD Set 2.1: C 60 MET CE :methyl -122:sc= -2.08! (180deg=-3.26!) USER MOD Set 2.2: C 80 MET CE :methyl -143:sc= -4.68! (180deg=-7.22!) USER MOD Set 3.1: C 45 MET CE :methyl -153:sc= -3.13! (180deg=-3.62!) USER MOD Set 3.2: C 50 GLN : amide:sc= -1.82 K(o=-9.3,f=-16!) USER MOD Set 3.3: C 81 MET CE :methyl -166:sc= -4.35! (180deg=-4!) USER MOD Set 4.1: C 13 THR OG1 : rot 180:sc= -1.27 USER MOD Set 4.2: C 16 GLN : amide:sc= 0.511 K(o=-0.76,f=-7.6!) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ -153:sc= 0.581 (180deg=0.0517) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 17 LYS NZ :NH3+ -177:sc= 1.92 (180deg=1.91) USER MOD Single : C 18 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.12) USER MOD Single : C 21 LYS NZ :NH3+ -159:sc= 0.974 (180deg=0.637) USER MOD Single : C 29 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0.00114 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 47 MET CE :methyl -112:sc= -0.156 (180deg=-1.27) USER MOD Single : C 51 ASN : amide:sc= -0.276 K(o=-0.28,f=-1.7) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.948 USER MOD Single : C 58 GLN : amide:sc= 0.584 K(o=0.58,f=-0.17) USER MOD Single : C 84 SER OG : rot 150:sc= -0.342 USER MOD Single : C 85 MET CE :methyl 141:sc= -0.745 (180deg=-2.02) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 63.474 -10.880 -1.858 1.00 0.00 N ATOM 64 CA TYR C 5 63.243 -9.595 -1.127 1.00 0.00 C ATOM 65 C TYR C 5 62.122 -8.792 -1.810 1.00 0.00 C ATOM 66 O TYR C 5 61.415 -8.041 -1.169 1.00 0.00 O ATOM 67 CB TYR C 5 64.579 -8.841 -1.199 1.00 0.00 C ATOM 68 CG TYR C 5 65.521 -9.366 -0.137 1.00 0.00 C ATOM 69 CD1 TYR C 5 65.210 -9.210 1.220 1.00 0.00 C ATOM 70 CD2 TYR C 5 66.710 -10.000 -0.511 1.00 0.00 C ATOM 71 CE1 TYR C 5 66.086 -9.696 2.200 1.00 0.00 C ATOM 72 CE2 TYR C 5 67.585 -10.486 0.467 1.00 0.00 C ATOM 73 CZ TYR C 5 67.275 -10.331 1.824 1.00 0.00 C ATOM 74 OH TYR C 5 68.142 -10.807 2.786 1.00 0.00 O ATOM 0 HA TYR C 5 62.931 -9.757 -0.095 1.00 0.00 H new ATOM 0 HB2 TYR C 5 65.024 -8.964 -2.186 1.00 0.00 H new ATOM 0 HB3 TYR C 5 64.413 -7.773 -1.055 1.00 0.00 H new ATOM 0 HD1 TYR C 5 64.295 -8.715 1.511 1.00 0.00 H new ATOM 0 HD2 TYR C 5 66.954 -10.115 -1.557 1.00 0.00 H new ATOM 0 HE1 TYR C 5 65.843 -9.580 3.246 1.00 0.00 H new ATOM 0 HE2 TYR C 5 68.500 -10.981 0.175 1.00 0.00 H new ATOM 0 HH TYR C 5 68.917 -11.220 2.352 1.00 0.00 H new ATOM 84 N LYS C 6 61.950 -8.955 -3.105 1.00 0.00 N ATOM 85 CA LYS C 6 60.865 -8.211 -3.831 1.00 0.00 C ATOM 86 C LYS C 6 59.494 -8.566 -3.240 1.00 0.00 C ATOM 87 O LYS C 6 58.648 -7.713 -3.065 1.00 0.00 O ATOM 88 CB LYS C 6 60.954 -8.678 -5.290 1.00 0.00 C ATOM 89 CG LYS C 6 61.505 -7.543 -6.162 1.00 0.00 C ATOM 90 CD LYS C 6 62.306 -8.122 -7.340 1.00 0.00 C ATOM 91 CE LYS C 6 63.771 -8.327 -6.928 1.00 0.00 C ATOM 92 NZ LYS C 6 64.452 -8.875 -8.141 1.00 0.00 N1+ ATOM 0 H LYS C 6 62.514 -9.571 -3.690 1.00 0.00 H new ATOM 0 HA LYS C 6 60.984 -7.131 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS C 6 61.600 -9.553 -5.363 1.00 0.00 H new ATOM 0 HB3 LYS C 6 59.969 -8.979 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.685 -6.931 -6.536 1.00 0.00 H new ATOM 0 HG3 LYS C 6 62.142 -6.891 -5.564 1.00 0.00 H new ATOM 0 HD2 LYS C 6 61.872 -9.071 -7.654 1.00 0.00 H new ATOM 0 HD3 LYS C 6 62.251 -7.448 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS C 6 64.226 -7.388 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS C 6 63.850 -9.017 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 65.269 -9.449 -7.851 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 63.785 -9.468 -8.675 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 64.776 -8.090 -8.742 1.00 0.00 H new ATOM 106 N ALA C 7 59.283 -9.822 -2.924 1.00 0.00 N ATOM 107 CA ALA C 7 57.978 -10.255 -2.333 1.00 0.00 C ATOM 108 C ALA C 7 57.685 -9.481 -1.035 1.00 0.00 C ATOM 109 O ALA C 7 56.554 -9.131 -0.759 1.00 0.00 O ATOM 110 CB ALA C 7 58.161 -11.748 -2.045 1.00 0.00 C ATOM 0 H ALA C 7 59.964 -10.570 -3.051 1.00 0.00 H new ATOM 0 HA ALA C 7 57.138 -10.063 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA C 7 57.247 -12.149 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA C 7 58.379 -12.274 -2.974 1.00 0.00 H new ATOM 0 HB3 ALA C 7 58.987 -11.885 -1.348 1.00 0.00 H new ATOM 116 N ALA C 8 58.699 -9.206 -0.243 1.00 0.00 N ATOM 117 CA ALA C 8 58.485 -8.447 1.032 1.00 0.00 C ATOM 118 C ALA C 8 57.880 -7.064 0.744 1.00 0.00 C ATOM 119 O ALA C 8 57.031 -6.599 1.472 1.00 0.00 O ATOM 120 CB ALA C 8 59.877 -8.308 1.653 1.00 0.00 C ATOM 0 H ALA C 8 59.666 -9.475 -0.426 1.00 0.00 H new ATOM 0 HA ALA C 8 57.790 -8.958 1.699 1.00 0.00 H new ATOM 0 HB1 ALA C 8 59.803 -7.761 2.593 1.00 0.00 H new ATOM 0 HB2 ALA C 8 60.292 -9.298 1.841 1.00 0.00 H new ATOM 0 HB3 ALA C 8 60.528 -7.765 0.968 1.00 0.00 H new ATOM 126 N VAL C 9 58.302 -6.411 -0.313 1.00 0.00 N ATOM 127 CA VAL C 9 57.739 -5.058 -0.645 1.00 0.00 C ATOM 128 C VAL C 9 56.205 -5.124 -0.749 1.00 0.00 C ATOM 129 O VAL C 9 55.508 -4.218 -0.332 1.00 0.00 O ATOM 130 CB VAL C 9 58.350 -4.683 -2.001 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.729 -3.377 -2.505 1.00 0.00 C ATOM 132 CG2 VAL C 9 59.864 -4.498 -1.854 1.00 0.00 C ATOM 0 H VAL C 9 59.011 -6.754 -0.961 1.00 0.00 H new ATOM 0 HA VAL C 9 57.975 -4.322 0.124 1.00 0.00 H new ATOM 0 HB VAL C 9 58.148 -5.482 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.166 -3.114 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.653 -3.506 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.926 -2.580 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL C 9 60.293 -4.232 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL C 9 60.065 -3.703 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL C 9 60.312 -5.427 -1.502 1.00 0.00 H new ATOM 142 N GLU C 10 55.677 -6.191 -1.298 1.00 0.00 N ATOM 143 CA GLU C 10 54.188 -6.323 -1.425 1.00 0.00 C ATOM 144 C GLU C 10 53.565 -6.636 -0.062 1.00 0.00 C ATOM 145 O GLU C 10 52.454 -6.235 0.231 1.00 0.00 O ATOM 146 CB GLU C 10 53.975 -7.489 -2.392 1.00 0.00 C ATOM 147 CG GLU C 10 54.254 -7.018 -3.823 1.00 0.00 C ATOM 148 CD GLU C 10 55.015 -8.101 -4.587 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.154 -8.357 -4.238 1.00 0.00 O ATOM 150 OE2 GLU C 10 54.450 -8.650 -5.517 1.00 0.00 O1- ATOM 0 H GLU C 10 56.212 -6.978 -1.665 1.00 0.00 H new ATOM 0 HA GLU C 10 53.722 -5.405 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU C 10 54.636 -8.316 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU C 10 52.954 -7.861 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU C 10 53.316 -6.793 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU C 10 54.836 -6.096 -3.805 1.00 0.00 H new ATOM 157 N GLN C 11 54.276 -7.347 0.774 1.00 0.00 N ATOM 158 CA GLN C 11 53.741 -7.684 2.126 1.00 0.00 C ATOM 159 C GLN C 11 53.904 -6.490 3.079 1.00 0.00 C ATOM 160 O GLN C 11 53.182 -6.360 4.050 1.00 0.00 O ATOM 161 CB GLN C 11 54.589 -8.864 2.597 1.00 0.00 C ATOM 162 CG GLN C 11 53.705 -10.102 2.742 1.00 0.00 C ATOM 163 CD GLN C 11 53.435 -10.352 4.224 1.00 0.00 C ATOM 164 OE1 GLN C 11 53.855 -11.352 4.771 1.00 0.00 O ATOM 165 NE2 GLN C 11 52.751 -9.474 4.906 1.00 0.00 N ATOM 0 H GLN C 11 55.209 -7.710 0.577 1.00 0.00 H new ATOM 0 HA GLN C 11 52.678 -7.924 2.102 1.00 0.00 H new ATOM 0 HB2 GLN C 11 55.390 -9.058 1.883 1.00 0.00 H new ATOM 0 HB3 GLN C 11 55.062 -8.628 3.550 1.00 0.00 H new ATOM 0 HG2 GLN C 11 52.766 -9.958 2.208 1.00 0.00 H new ATOM 0 HG3 GLN C 11 54.195 -10.968 2.298 1.00 0.00 H new ATOM 0 HE21 GLN C 11 52.398 -8.634 4.447 1.00 0.00 H new ATOM 0 HE22 GLN C 11 52.569 -9.628 5.898 1.00 0.00 H new ATOM 174 N LEU C 12 54.848 -5.619 2.808 1.00 0.00 N ATOM 175 CA LEU C 12 55.062 -4.429 3.692 1.00 0.00 C ATOM 176 C LEU C 12 53.815 -3.530 3.678 1.00 0.00 C ATOM 177 O LEU C 12 53.073 -3.498 2.710 1.00 0.00 O ATOM 178 CB LEU C 12 56.266 -3.690 3.093 1.00 0.00 C ATOM 179 CG LEU C 12 57.562 -4.438 3.428 1.00 0.00 C ATOM 180 CD1 LEU C 12 58.714 -3.851 2.611 1.00 0.00 C ATOM 181 CD2 LEU C 12 57.867 -4.293 4.923 1.00 0.00 C ATOM 0 H LEU C 12 55.481 -5.682 2.010 1.00 0.00 H new ATOM 0 HA LEU C 12 55.239 -4.714 4.729 1.00 0.00 H new ATOM 0 HB2 LEU C 12 56.152 -3.609 2.012 1.00 0.00 H new ATOM 0 HB3 LEU C 12 56.311 -2.674 3.485 1.00 0.00 H new ATOM 0 HG LEU C 12 57.445 -5.494 3.185 1.00 0.00 H new ATOM 0 HD11 LEU C 12 59.636 -4.382 2.848 1.00 0.00 H new ATOM 0 HD12 LEU C 12 58.497 -3.957 1.548 1.00 0.00 H new ATOM 0 HD13 LEU C 12 58.831 -2.795 2.854 1.00 0.00 H new ATOM 0 HD21 LEU C 12 58.788 -4.825 5.160 1.00 0.00 H new ATOM 0 HD22 LEU C 12 57.984 -3.238 5.170 1.00 0.00 H new ATOM 0 HD23 LEU C 12 57.046 -4.713 5.504 1.00 0.00 H new ATOM 193 N THR C 13 53.578 -2.802 4.741 1.00 0.00 N ATOM 194 CA THR C 13 52.376 -1.907 4.789 1.00 0.00 C ATOM 195 C THR C 13 52.650 -0.592 4.052 1.00 0.00 C ATOM 196 O THR C 13 53.783 -0.237 3.783 1.00 0.00 O ATOM 197 CB THR C 13 52.103 -1.639 6.274 1.00 0.00 C ATOM 198 OG1 THR C 13 53.317 -1.323 6.936 1.00 0.00 O ATOM 199 CG2 THR C 13 51.477 -2.874 6.921 1.00 0.00 C ATOM 0 H THR C 13 54.162 -2.787 5.577 1.00 0.00 H new ATOM 0 HA THR C 13 51.519 -2.373 4.303 1.00 0.00 H new ATOM 0 HB THR C 13 51.413 -0.799 6.361 1.00 0.00 H new ATOM 0 HG1 THR C 13 53.138 -1.151 7.884 1.00 0.00 H new ATOM 0 HG21 THR C 13 51.286 -2.675 7.976 1.00 0.00 H new ATOM 0 HG22 THR C 13 50.538 -3.110 6.421 1.00 0.00 H new ATOM 0 HG23 THR C 13 52.160 -3.719 6.829 1.00 0.00 H new ATOM 207 N GLU C 14 51.607 0.124 3.719 1.00 0.00 N ATOM 208 CA GLU C 14 51.763 1.422 2.983 1.00 0.00 C ATOM 209 C GLU C 14 52.546 2.461 3.808 1.00 0.00 C ATOM 210 O GLU C 14 53.253 3.284 3.257 1.00 0.00 O ATOM 211 CB GLU C 14 50.320 1.893 2.703 1.00 0.00 C ATOM 212 CG GLU C 14 49.635 2.409 3.984 1.00 0.00 C ATOM 213 CD GLU C 14 48.838 1.281 4.647 1.00 0.00 C ATOM 214 OE1 GLU C 14 47.681 1.118 4.302 1.00 0.00 O1- ATOM 215 OE2 GLU C 14 49.397 0.605 5.494 1.00 0.00 O ATOM 0 H GLU C 14 50.643 -0.135 3.926 1.00 0.00 H new ATOM 0 HA GLU C 14 52.339 1.298 2.066 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.333 2.684 1.953 1.00 0.00 H new ATOM 0 HB3 GLU C 14 49.741 1.068 2.287 1.00 0.00 H new ATOM 0 HG2 GLU C 14 50.384 2.791 4.677 1.00 0.00 H new ATOM 0 HG3 GLU C 14 48.972 3.239 3.742 1.00 0.00 H new ATOM 222 N GLU C 15 52.427 2.432 5.113 1.00 0.00 N ATOM 223 CA GLU C 15 53.163 3.425 5.964 1.00 0.00 C ATOM 224 C GLU C 15 54.683 3.196 5.892 1.00 0.00 C ATOM 225 O GLU C 15 55.461 4.121 6.018 1.00 0.00 O ATOM 226 CB GLU C 15 52.630 3.210 7.390 1.00 0.00 C ATOM 227 CG GLU C 15 52.992 1.808 7.894 1.00 0.00 C ATOM 228 CD GLU C 15 51.821 1.233 8.696 1.00 0.00 C ATOM 229 OE1 GLU C 15 50.926 0.675 8.087 1.00 0.00 O1- ATOM 230 OE2 GLU C 15 51.843 1.356 9.907 1.00 0.00 O ATOM 0 H GLU C 15 51.853 1.765 5.628 1.00 0.00 H new ATOM 0 HA GLU C 15 53.001 4.449 5.626 1.00 0.00 H new ATOM 0 HB2 GLU C 15 53.049 3.962 8.058 1.00 0.00 H new ATOM 0 HB3 GLU C 15 51.548 3.339 7.403 1.00 0.00 H new ATOM 0 HG2 GLU C 15 53.224 1.156 7.052 1.00 0.00 H new ATOM 0 HG3 GLU C 15 53.885 1.854 8.517 1.00 0.00 H new ATOM 237 N GLN C 16 55.110 1.975 5.673 1.00 0.00 N ATOM 238 CA GLN C 16 56.578 1.700 5.575 1.00 0.00 C ATOM 239 C GLN C 16 57.110 2.233 4.243 1.00 0.00 C ATOM 240 O GLN C 16 58.092 2.950 4.198 1.00 0.00 O ATOM 241 CB GLN C 16 56.704 0.178 5.628 1.00 0.00 C ATOM 242 CG GLN C 16 56.234 -0.326 6.990 1.00 0.00 C ATOM 243 CD GLN C 16 56.545 -1.816 7.113 1.00 0.00 C ATOM 244 OE1 GLN C 16 55.866 -2.637 6.533 1.00 0.00 O ATOM 245 NE2 GLN C 16 57.550 -2.202 7.848 1.00 0.00 N ATOM 0 H GLN C 16 54.508 1.160 5.558 1.00 0.00 H new ATOM 0 HA GLN C 16 57.147 2.180 6.371 1.00 0.00 H new ATOM 0 HB2 GLN C 16 56.108 -0.274 4.836 1.00 0.00 H new ATOM 0 HB3 GLN C 16 57.739 -0.118 5.457 1.00 0.00 H new ATOM 0 HG2 GLN C 16 56.731 0.228 7.787 1.00 0.00 H new ATOM 0 HG3 GLN C 16 55.163 -0.156 7.104 1.00 0.00 H new ATOM 0 HE21 GLN C 16 58.120 -1.511 8.335 1.00 0.00 H new ATOM 0 HE22 GLN C 16 57.766 -3.195 7.936 1.00 0.00 H new ATOM 254 N LYS C 17 56.453 1.887 3.162 1.00 0.00 N ATOM 255 CA LYS C 17 56.892 2.367 1.811 1.00 0.00 C ATOM 256 C LYS C 17 56.931 3.902 1.770 1.00 0.00 C ATOM 257 O LYS C 17 57.796 4.487 1.145 1.00 0.00 O ATOM 258 CB LYS C 17 55.841 1.824 0.838 1.00 0.00 C ATOM 259 CG LYS C 17 56.263 0.428 0.372 1.00 0.00 C ATOM 260 CD LYS C 17 55.057 -0.313 -0.214 1.00 0.00 C ATOM 261 CE LYS C 17 54.313 -1.048 0.903 1.00 0.00 C ATOM 262 NZ LYS C 17 53.657 -2.208 0.234 1.00 0.00 N1+ ATOM 0 H LYS C 17 55.627 1.289 3.156 1.00 0.00 H new ATOM 0 HA LYS C 17 57.896 2.025 1.559 1.00 0.00 H new ATOM 0 HB2 LYS C 17 54.866 1.779 1.324 1.00 0.00 H new ATOM 0 HB3 LYS C 17 55.740 2.492 -0.018 1.00 0.00 H new ATOM 0 HG2 LYS C 17 57.051 0.508 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS C 17 56.675 -0.135 1.209 1.00 0.00 H new ATOM 0 HD2 LYS C 17 54.388 0.393 -0.707 1.00 0.00 H new ATOM 0 HD3 LYS C 17 55.387 -1.022 -0.973 1.00 0.00 H new ATOM 0 HE2 LYS C 17 54.999 -1.379 1.683 1.00 0.00 H new ATOM 0 HE3 LYS C 17 53.577 -0.400 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 53.086 -2.731 0.928 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 53.043 -1.865 -0.532 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 54.384 -2.838 -0.161 1.00 0.00 H new ATOM 276 N ASN C 18 56.011 4.550 2.448 1.00 0.00 N ATOM 277 CA ASN C 18 55.998 6.047 2.468 1.00 0.00 C ATOM 278 C ASN C 18 57.199 6.557 3.282 1.00 0.00 C ATOM 279 O ASN C 18 57.807 7.558 2.947 1.00 0.00 O ATOM 280 CB ASN C 18 54.648 6.427 3.115 1.00 0.00 C ATOM 281 CG ASN C 18 54.852 7.267 4.384 1.00 0.00 C ATOM 282 OD1 ASN C 18 54.782 6.758 5.482 1.00 0.00 O ATOM 283 ND2 ASN C 18 55.093 8.543 4.279 1.00 0.00 N ATOM 0 H ASN C 18 55.269 4.105 2.988 1.00 0.00 H new ATOM 0 HA ASN C 18 56.087 6.494 1.478 1.00 0.00 H new ATOM 0 HB2 ASN C 18 54.045 6.986 2.400 1.00 0.00 H new ATOM 0 HB3 ASN C 18 54.093 5.522 3.361 1.00 0.00 H new ATOM 0 HD21 ASN C 18 55.222 9.108 5.118 1.00 0.00 H new ATOM 0 HD22 ASN C 18 55.153 8.977 3.358 1.00 0.00 H new ATOM 290 N GLU C 19 57.551 5.866 4.340 1.00 0.00 N ATOM 291 CA GLU C 19 58.718 6.293 5.165 1.00 0.00 C ATOM 292 C GLU C 19 60.018 6.121 4.369 1.00 0.00 C ATOM 293 O GLU C 19 60.911 6.947 4.438 1.00 0.00 O ATOM 294 CB GLU C 19 58.709 5.367 6.383 1.00 0.00 C ATOM 295 CG GLU C 19 57.595 5.786 7.350 1.00 0.00 C ATOM 296 CD GLU C 19 58.036 7.019 8.140 1.00 0.00 C ATOM 297 OE1 GLU C 19 58.648 6.843 9.181 1.00 0.00 O1- ATOM 298 OE2 GLU C 19 57.752 8.117 7.694 1.00 0.00 O ATOM 0 H GLU C 19 57.077 5.023 4.666 1.00 0.00 H new ATOM 0 HA GLU C 19 58.656 7.342 5.454 1.00 0.00 H new ATOM 0 HB2 GLU C 19 58.557 4.335 6.065 1.00 0.00 H new ATOM 0 HB3 GLU C 19 59.674 5.406 6.888 1.00 0.00 H new ATOM 0 HG2 GLU C 19 56.682 6.004 6.796 1.00 0.00 H new ATOM 0 HG3 GLU C 19 57.366 4.968 8.032 1.00 0.00 H new ATOM 305 N PHE C 20 60.133 5.056 3.609 1.00 0.00 N ATOM 306 CA PHE C 20 61.380 4.837 2.806 1.00 0.00 C ATOM 307 C PHE C 20 61.555 5.958 1.782 1.00 0.00 C ATOM 308 O PHE C 20 62.644 6.468 1.592 1.00 0.00 O ATOM 309 CB PHE C 20 61.193 3.497 2.091 1.00 0.00 C ATOM 310 CG PHE C 20 61.200 2.373 3.098 1.00 0.00 C ATOM 311 CD1 PHE C 20 62.145 2.363 4.131 1.00 0.00 C ATOM 312 CD2 PHE C 20 60.260 1.342 3.001 1.00 0.00 C ATOM 313 CE1 PHE C 20 62.149 1.325 5.065 1.00 0.00 C ATOM 314 CE2 PHE C 20 60.264 0.304 3.936 1.00 0.00 C ATOM 315 CZ PHE C 20 61.208 0.295 4.968 1.00 0.00 C ATOM 0 H PHE C 20 59.421 4.332 3.510 1.00 0.00 H new ATOM 0 HA PHE C 20 62.266 4.833 3.441 1.00 0.00 H new ATOM 0 HB2 PHE C 20 60.253 3.497 1.539 1.00 0.00 H new ATOM 0 HB3 PHE C 20 61.990 3.349 1.362 1.00 0.00 H new ATOM 0 HD1 PHE C 20 62.871 3.159 4.206 1.00 0.00 H new ATOM 0 HD2 PHE C 20 59.531 1.348 2.204 1.00 0.00 H new ATOM 0 HE1 PHE C 20 62.878 1.318 5.862 1.00 0.00 H new ATOM 0 HE2 PHE C 20 59.538 -0.492 3.862 1.00 0.00 H new ATOM 0 HZ PHE C 20 61.210 -0.508 5.690 1.00 0.00 H new ATOM 325 N LYS C 21 60.492 6.353 1.127 1.00 0.00 N ATOM 326 CA LYS C 21 60.601 7.455 0.125 1.00 0.00 C ATOM 327 C LYS C 21 61.028 8.749 0.827 1.00 0.00 C ATOM 328 O LYS C 21 61.817 9.510 0.306 1.00 0.00 O ATOM 329 CB LYS C 21 59.201 7.601 -0.473 1.00 0.00 C ATOM 330 CG LYS C 21 59.310 7.881 -1.976 1.00 0.00 C ATOM 331 CD LYS C 21 58.786 9.288 -2.274 1.00 0.00 C ATOM 332 CE LYS C 21 59.420 9.813 -3.566 1.00 0.00 C ATOM 333 NZ LYS C 21 59.033 11.251 -3.632 1.00 0.00 N1+ ATOM 0 H LYS C 21 59.557 5.961 1.243 1.00 0.00 H new ATOM 0 HA LYS C 21 61.342 7.244 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS C 21 58.625 6.691 -0.303 1.00 0.00 H new ATOM 0 HB3 LYS C 21 58.667 8.413 0.021 1.00 0.00 H new ATOM 0 HG2 LYS C 21 60.347 7.792 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS C 21 58.737 7.142 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS C 21 57.701 9.269 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS C 21 59.020 9.956 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS C 21 60.504 9.697 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS C 21 59.054 9.266 -4.435 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 59.109 11.586 -4.614 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 58.053 11.362 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 59.667 11.809 -3.026 1.00 0.00 H new ATOM 347 N ALA C 22 60.523 8.989 2.016 1.00 0.00 N ATOM 348 CA ALA C 22 60.909 10.224 2.768 1.00 0.00 C ATOM 349 C ALA C 22 62.423 10.233 3.015 1.00 0.00 C ATOM 350 O ALA C 22 63.082 11.237 2.829 1.00 0.00 O ATOM 351 CB ALA C 22 60.153 10.147 4.096 1.00 0.00 C ATOM 0 H ALA C 22 59.860 8.381 2.497 1.00 0.00 H new ATOM 0 HA ALA C 22 60.664 11.133 2.218 1.00 0.00 H new ATOM 0 HB1 ALA C 22 60.389 11.023 4.700 1.00 0.00 H new ATOM 0 HB2 ALA C 22 59.081 10.118 3.903 1.00 0.00 H new ATOM 0 HB3 ALA C 22 60.450 9.246 4.632 1.00 0.00 H new ATOM 357 N ALA C 23 62.976 9.113 3.417 1.00 0.00 N ATOM 358 CA ALA C 23 64.450 9.040 3.661 1.00 0.00 C ATOM 359 C ALA C 23 65.207 9.126 2.331 1.00 0.00 C ATOM 360 O ALA C 23 66.187 9.829 2.209 1.00 0.00 O ATOM 361 CB ALA C 23 64.684 7.677 4.308 1.00 0.00 C ATOM 0 H ALA C 23 62.468 8.245 3.587 1.00 0.00 H new ATOM 0 HA ALA C 23 64.801 9.857 4.291 1.00 0.00 H new ATOM 0 HB1 ALA C 23 65.746 7.551 4.517 1.00 0.00 H new ATOM 0 HB2 ALA C 23 64.121 7.615 5.239 1.00 0.00 H new ATOM 0 HB3 ALA C 23 64.352 6.891 3.630 1.00 0.00 H new ATOM 367 N PHE C 24 64.745 8.416 1.333 1.00 0.00 N ATOM 368 CA PHE C 24 65.417 8.450 -0.005 1.00 0.00 C ATOM 369 C PHE C 24 65.412 9.879 -0.569 1.00 0.00 C ATOM 370 O PHE C 24 66.370 10.321 -1.172 1.00 0.00 O ATOM 371 CB PHE C 24 64.571 7.516 -0.877 1.00 0.00 C ATOM 372 CG PHE C 24 65.061 7.537 -2.308 1.00 0.00 C ATOM 373 CD1 PHE C 24 66.314 7.002 -2.629 1.00 0.00 C ATOM 374 CD2 PHE C 24 64.258 8.089 -3.316 1.00 0.00 C ATOM 375 CE1 PHE C 24 66.763 7.016 -3.955 1.00 0.00 C ATOM 376 CE2 PHE C 24 64.706 8.099 -4.643 1.00 0.00 C ATOM 377 CZ PHE C 24 65.959 7.563 -4.960 1.00 0.00 C ATOM 0 H PHE C 24 63.926 7.810 1.386 1.00 0.00 H new ATOM 0 HA PHE C 24 66.461 8.140 0.039 1.00 0.00 H new ATOM 0 HB2 PHE C 24 64.619 6.500 -0.485 1.00 0.00 H new ATOM 0 HB3 PHE C 24 63.526 7.822 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE C 24 66.935 6.578 -1.853 1.00 0.00 H new ATOM 0 HD2 PHE C 24 63.293 8.507 -3.069 1.00 0.00 H new ATOM 0 HE1 PHE C 24 67.730 6.604 -4.202 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.085 8.520 -5.420 1.00 0.00 H new ATOM 0 HZ PHE C 24 66.306 7.572 -5.983 1.00 0.00 H new ATOM 387 N ASP C 25 64.337 10.598 -0.373 1.00 0.00 N ATOM 388 CA ASP C 25 64.249 11.998 -0.892 1.00 0.00 C ATOM 389 C ASP C 25 65.250 12.932 -0.180 1.00 0.00 C ATOM 390 O ASP C 25 65.636 13.948 -0.726 1.00 0.00 O ATOM 391 CB ASP C 25 62.805 12.432 -0.596 1.00 0.00 C ATOM 392 CG ASP C 25 61.869 11.996 -1.733 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.120 10.963 -2.334 1.00 0.00 O1- ATOM 394 OD2 ASP C 25 60.906 12.701 -1.977 1.00 0.00 O ATOM 0 H ASP C 25 63.510 10.274 0.128 1.00 0.00 H new ATOM 0 HA ASP C 25 64.495 12.049 -1.953 1.00 0.00 H new ATOM 0 HB2 ASP C 25 62.473 11.993 0.345 1.00 0.00 H new ATOM 0 HB3 ASP C 25 62.762 13.515 -0.476 1.00 0.00 H new ATOM 399 N ILE C 26 65.660 12.610 1.031 1.00 0.00 N ATOM 400 CA ILE C 26 66.625 13.497 1.776 1.00 0.00 C ATOM 401 C ILE C 26 67.863 13.821 0.924 1.00 0.00 C ATOM 402 O ILE C 26 68.333 14.944 0.912 1.00 0.00 O ATOM 403 CB ILE C 26 67.035 12.710 3.029 1.00 0.00 C ATOM 404 CG1 ILE C 26 65.857 12.650 4.007 1.00 0.00 C ATOM 405 CG2 ILE C 26 68.217 13.412 3.711 1.00 0.00 C ATOM 406 CD1 ILE C 26 66.188 11.690 5.151 1.00 0.00 C ATOM 0 H ILE C 26 65.369 11.773 1.536 1.00 0.00 H new ATOM 0 HA ILE C 26 66.161 14.452 2.025 1.00 0.00 H new ATOM 0 HB ILE C 26 67.323 11.699 2.740 1.00 0.00 H new ATOM 0 HG12 ILE C 26 65.648 13.644 4.402 1.00 0.00 H new ATOM 0 HG13 ILE C 26 64.958 12.318 3.489 1.00 0.00 H new ATOM 0 HG21 ILE C 26 68.508 12.853 4.601 1.00 0.00 H new ATOM 0 HG22 ILE C 26 69.059 13.460 3.021 1.00 0.00 H new ATOM 0 HG23 ILE C 26 67.924 14.422 3.997 1.00 0.00 H new ATOM 0 HD11 ILE C 26 65.349 11.649 5.846 1.00 0.00 H new ATOM 0 HD12 ILE C 26 66.375 10.695 4.748 1.00 0.00 H new ATOM 0 HD13 ILE C 26 67.076 12.042 5.676 1.00 0.00 H new ATOM 418 N PHE C 27 68.389 12.858 0.215 1.00 0.00 N ATOM 419 CA PHE C 27 69.597 13.129 -0.637 1.00 0.00 C ATOM 420 C PHE C 27 69.175 13.371 -2.097 1.00 0.00 C ATOM 421 O PHE C 27 69.879 14.013 -2.849 1.00 0.00 O ATOM 422 CB PHE C 27 70.543 11.899 -0.539 1.00 0.00 C ATOM 423 CG PHE C 27 70.000 10.824 0.391 1.00 0.00 C ATOM 424 CD1 PHE C 27 70.053 11.002 1.781 1.00 0.00 C ATOM 425 CD2 PHE C 27 69.450 9.649 -0.140 1.00 0.00 C ATOM 426 CE1 PHE C 27 69.551 10.012 2.635 1.00 0.00 C ATOM 427 CE2 PHE C 27 68.950 8.659 0.716 1.00 0.00 C ATOM 428 CZ PHE C 27 69.000 8.840 2.103 1.00 0.00 C ATOM 0 H PHE C 27 68.041 11.900 0.185 1.00 0.00 H new ATOM 0 HA PHE C 27 70.113 14.023 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE C 27 70.689 11.476 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE C 27 71.521 12.223 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE C 27 70.481 11.904 2.193 1.00 0.00 H new ATOM 0 HD2 PHE C 27 69.412 9.507 -1.210 1.00 0.00 H new ATOM 0 HE1 PHE C 27 69.589 10.153 3.705 1.00 0.00 H new ATOM 0 HE2 PHE C 27 68.525 7.755 0.305 1.00 0.00 H new ATOM 0 HZ PHE C 27 68.614 8.076 2.762 1.00 0.00 H new ATOM 438 N VAL C 28 68.029 12.873 -2.500 1.00 0.00 N ATOM 439 CA VAL C 28 67.561 13.084 -3.910 1.00 0.00 C ATOM 440 C VAL C 28 67.205 14.564 -4.147 1.00 0.00 C ATOM 441 O VAL C 28 67.337 15.070 -5.243 1.00 0.00 O ATOM 442 CB VAL C 28 66.322 12.191 -4.057 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.581 12.536 -5.353 1.00 0.00 C ATOM 444 CG2 VAL C 28 66.756 10.722 -4.103 1.00 0.00 C ATOM 0 H VAL C 28 67.396 12.329 -1.913 1.00 0.00 H new ATOM 0 HA VAL C 28 68.330 12.832 -4.640 1.00 0.00 H new ATOM 0 HB VAL C 28 65.660 12.356 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL C 28 64.703 11.898 -5.451 1.00 0.00 H new ATOM 0 HG12 VAL C 28 65.270 13.580 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL C 28 66.243 12.375 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.877 10.086 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL C 28 67.420 10.565 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL C 28 67.280 10.468 -3.181 1.00 0.00 H new ATOM 454 N GLN C 29 66.758 15.256 -3.126 1.00 0.00 N ATOM 455 CA GLN C 29 66.395 16.706 -3.286 1.00 0.00 C ATOM 456 C GLN C 29 67.567 17.506 -3.889 1.00 0.00 C ATOM 457 O GLN C 29 67.364 18.388 -4.703 1.00 0.00 O ATOM 458 CB GLN C 29 66.082 17.195 -1.868 1.00 0.00 C ATOM 459 CG GLN C 29 64.572 17.123 -1.611 1.00 0.00 C ATOM 460 CD GLN C 29 64.326 17.046 -0.104 1.00 0.00 C ATOM 461 OE1 GLN C 29 63.914 15.930 0.425 1.00 0.00 O flip ATOM 462 NE2 GLN C 29 64.518 18.013 0.601 1.00 0.00 N flip ATOM 0 H GLN C 29 66.628 14.881 -2.186 1.00 0.00 H new ATOM 0 HA GLN C 29 65.552 16.840 -3.964 1.00 0.00 H new ATOM 0 HB2 GLN C 29 66.613 16.584 -1.138 1.00 0.00 H new ATOM 0 HB3 GLN C 29 66.432 18.219 -1.742 1.00 0.00 H new ATOM 0 HG2 GLN C 29 64.077 18.000 -2.029 1.00 0.00 H new ATOM 0 HG3 GLN C 29 64.147 16.250 -2.107 1.00 0.00 H new ATOM 0 HE21 GLN C 29 64.841 18.888 0.189 1.00 0.00 H new ATOM 0 HE22 GLN C 29 64.357 17.951 1.606 1.00 0.00 H new ATOM 471 N GLY C 30 68.786 17.199 -3.503 1.00 0.00 N ATOM 472 CA GLY C 30 69.968 17.932 -4.060 1.00 0.00 C ATOM 473 C GLY C 30 70.509 17.192 -5.291 1.00 0.00 C ATOM 474 O GLY C 30 71.096 17.789 -6.173 1.00 0.00 O ATOM 0 H GLY C 30 69.012 16.471 -2.825 1.00 0.00 H new ATOM 0 HA2 GLY C 30 69.682 18.948 -4.332 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.747 18.013 -3.302 1.00 0.00 H new ATOM 478 N ALA C 31 70.318 15.900 -5.353 1.00 0.00 N ATOM 479 CA ALA C 31 70.815 15.112 -6.520 1.00 0.00 C ATOM 480 C ALA C 31 69.810 15.184 -7.677 1.00 0.00 C ATOM 481 O ALA C 31 68.694 14.712 -7.571 1.00 0.00 O ATOM 482 CB ALA C 31 70.948 13.680 -5.994 1.00 0.00 C ATOM 0 H ALA C 31 69.835 15.353 -4.640 1.00 0.00 H new ATOM 0 HA ALA C 31 71.760 15.490 -6.909 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.310 13.031 -6.792 1.00 0.00 H new ATOM 0 HB2 ALA C 31 71.654 13.662 -5.163 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.975 13.326 -5.652 1.00 0.00 H new ATOM 488 N GLU C 32 70.202 15.778 -8.780 1.00 0.00 N ATOM 489 CA GLU C 32 69.275 15.890 -9.954 1.00 0.00 C ATOM 490 C GLU C 32 68.886 14.500 -10.477 1.00 0.00 C ATOM 491 O GLU C 32 67.771 14.284 -10.914 1.00 0.00 O ATOM 492 CB GLU C 32 70.065 16.659 -11.017 1.00 0.00 C ATOM 493 CG GLU C 32 70.096 18.150 -10.656 1.00 0.00 C ATOM 494 CD GLU C 32 69.191 18.931 -11.611 1.00 0.00 C ATOM 495 OE1 GLU C 32 69.655 19.273 -12.686 1.00 0.00 O1- ATOM 496 OE2 GLU C 32 68.054 19.177 -11.252 1.00 0.00 O ATOM 0 H GLU C 32 71.124 16.191 -8.919 1.00 0.00 H new ATOM 0 HA GLU C 32 68.346 16.394 -9.688 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.081 16.269 -11.083 1.00 0.00 H new ATOM 0 HB3 GLU C 32 69.607 16.521 -11.996 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.764 18.292 -9.627 1.00 0.00 H new ATOM 0 HG3 GLU C 32 71.117 18.528 -10.717 1.00 0.00 H new ATOM 503 N ASP C 33 69.794 13.556 -10.435 1.00 0.00 N ATOM 504 CA ASP C 33 69.470 12.182 -10.927 1.00 0.00 C ATOM 505 C ASP C 33 68.628 11.420 -9.888 1.00 0.00 C ATOM 506 O ASP C 33 67.822 10.579 -10.237 1.00 0.00 O ATOM 507 CB ASP C 33 70.829 11.499 -11.128 1.00 0.00 C ATOM 508 CG ASP C 33 71.487 12.020 -12.409 1.00 0.00 C ATOM 509 OD1 ASP C 33 71.998 13.126 -12.383 1.00 0.00 O ATOM 510 OD2 ASP C 33 71.475 11.301 -13.394 1.00 0.00 O1- ATOM 0 H ASP C 33 70.743 13.678 -10.082 1.00 0.00 H new ATOM 0 HA ASP C 33 68.885 12.204 -11.846 1.00 0.00 H new ATOM 0 HB2 ASP C 33 71.474 11.694 -10.272 1.00 0.00 H new ATOM 0 HB3 ASP C 33 70.698 10.419 -11.189 1.00 0.00 H new ATOM 515 N GLY C 34 68.803 11.710 -8.619 1.00 0.00 N ATOM 516 CA GLY C 34 68.009 11.004 -7.565 1.00 0.00 C ATOM 517 C GLY C 34 68.645 9.647 -7.236 1.00 0.00 C ATOM 518 O GLY C 34 67.959 8.682 -6.966 1.00 0.00 O ATOM 0 H GLY C 34 69.462 12.406 -8.269 1.00 0.00 H new ATOM 0 HA2 GLY C 34 67.960 11.618 -6.665 1.00 0.00 H new ATOM 0 HA3 GLY C 34 66.985 10.859 -7.908 1.00 0.00 H new ATOM 522 N SER C 35 69.952 9.567 -7.256 1.00 0.00 N ATOM 523 CA SER C 35 70.638 8.274 -6.941 1.00 0.00 C ATOM 524 C SER C 35 71.786 8.510 -5.949 1.00 0.00 C ATOM 525 O SER C 35 72.338 9.593 -5.873 1.00 0.00 O ATOM 526 CB SER C 35 71.169 7.772 -8.285 1.00 0.00 C ATOM 527 OG SER C 35 71.570 6.414 -8.154 1.00 0.00 O ATOM 0 H SER C 35 70.576 10.343 -7.477 1.00 0.00 H new ATOM 0 HA SER C 35 69.969 7.550 -6.476 1.00 0.00 H new ATOM 0 HB2 SER C 35 70.399 7.863 -9.051 1.00 0.00 H new ATOM 0 HB3 SER C 35 72.012 8.383 -8.607 1.00 0.00 H new ATOM 0 HG SER C 35 70.857 5.829 -8.486 1.00 0.00 H new ATOM 533 N ILE C 36 72.146 7.506 -5.185 1.00 0.00 N ATOM 534 CA ILE C 36 73.255 7.676 -4.189 1.00 0.00 C ATOM 535 C ILE C 36 74.429 6.747 -4.524 1.00 0.00 C ATOM 536 O ILE C 36 74.251 5.687 -5.098 1.00 0.00 O ATOM 537 CB ILE C 36 72.659 7.285 -2.828 1.00 0.00 C ATOM 538 CG1 ILE C 36 71.327 8.014 -2.595 1.00 0.00 C ATOM 539 CG2 ILE C 36 73.641 7.664 -1.714 1.00 0.00 C ATOM 540 CD1 ILE C 36 70.346 7.065 -1.904 1.00 0.00 C ATOM 0 H ILE C 36 71.722 6.578 -5.207 1.00 0.00 H new ATOM 0 HA ILE C 36 73.635 8.698 -4.193 1.00 0.00 H new ATOM 0 HB ILE C 36 72.481 6.210 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE C 36 71.487 8.901 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE C 36 70.914 8.354 -3.545 1.00 0.00 H new ATOM 0 HG21 ILE C 36 73.219 7.387 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE C 36 74.583 7.136 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE C 36 73.820 8.739 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE C 36 69.399 7.579 -1.737 1.00 0.00 H new ATOM 0 HD12 ILE C 36 70.179 6.192 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE C 36 70.760 6.747 -0.947 1.00 0.00 H new ATOM 552 N SER C 37 75.625 7.129 -4.152 1.00 0.00 N ATOM 553 CA SER C 37 76.810 6.259 -4.426 1.00 0.00 C ATOM 554 C SER C 37 77.156 5.441 -3.175 1.00 0.00 C ATOM 555 O SER C 37 76.643 5.689 -2.101 1.00 0.00 O ATOM 556 CB SER C 37 77.953 7.216 -4.766 1.00 0.00 C ATOM 557 OG SER C 37 78.956 6.507 -5.484 1.00 0.00 O ATOM 0 H SER C 37 75.832 8.004 -3.671 1.00 0.00 H new ATOM 0 HA SER C 37 76.621 5.555 -5.236 1.00 0.00 H new ATOM 0 HB2 SER C 37 77.581 8.049 -5.363 1.00 0.00 H new ATOM 0 HB3 SER C 37 78.372 7.640 -3.854 1.00 0.00 H new ATOM 0 HG SER C 37 79.691 7.116 -5.707 1.00 0.00 H new ATOM 563 N THR C 38 78.027 4.471 -3.307 1.00 0.00 N ATOM 564 CA THR C 38 78.415 3.632 -2.123 1.00 0.00 C ATOM 565 C THR C 38 79.099 4.490 -1.043 1.00 0.00 C ATOM 566 O THR C 38 79.150 4.115 0.114 1.00 0.00 O ATOM 567 CB THR C 38 79.386 2.577 -2.672 1.00 0.00 C ATOM 568 OG1 THR C 38 80.468 3.224 -3.324 1.00 0.00 O ATOM 569 CG2 THR C 38 78.657 1.674 -3.670 1.00 0.00 C ATOM 0 H THR C 38 78.488 4.221 -4.182 1.00 0.00 H new ATOM 0 HA THR C 38 77.545 3.176 -1.651 1.00 0.00 H new ATOM 0 HB THR C 38 79.765 1.972 -1.848 1.00 0.00 H new ATOM 0 HG1 THR C 38 81.089 2.551 -3.673 1.00 0.00 H new ATOM 0 HG21 THR C 38 79.349 0.927 -4.057 1.00 0.00 H new ATOM 0 HG22 THR C 38 77.827 1.175 -3.170 1.00 0.00 H new ATOM 0 HG23 THR C 38 78.275 2.276 -4.494 1.00 0.00 H new ATOM 577 N LYS C 39 79.623 5.640 -1.411 1.00 0.00 N ATOM 578 CA LYS C 39 80.299 6.521 -0.403 1.00 0.00 C ATOM 579 C LYS C 39 79.284 7.049 0.626 1.00 0.00 C ATOM 580 O LYS C 39 79.566 7.111 1.810 1.00 0.00 O ATOM 581 CB LYS C 39 80.889 7.680 -1.218 1.00 0.00 C ATOM 582 CG LYS C 39 82.251 8.078 -0.641 1.00 0.00 C ATOM 583 CD LYS C 39 82.064 9.152 0.440 1.00 0.00 C ATOM 584 CE LYS C 39 82.732 8.696 1.744 1.00 0.00 C ATOM 585 NZ LYS C 39 84.139 9.189 1.664 1.00 0.00 N1+ ATOM 0 H LYS C 39 79.611 6.004 -2.364 1.00 0.00 H new ATOM 0 HA LYS C 39 81.063 5.984 0.159 1.00 0.00 H new ATOM 0 HB2 LYS C 39 80.998 7.385 -2.262 1.00 0.00 H new ATOM 0 HB3 LYS C 39 80.211 8.533 -1.197 1.00 0.00 H new ATOM 0 HG2 LYS C 39 82.746 7.204 -0.217 1.00 0.00 H new ATOM 0 HG3 LYS C 39 82.896 8.456 -1.434 1.00 0.00 H new ATOM 0 HD2 LYS C 39 82.498 10.095 0.108 1.00 0.00 H new ATOM 0 HD3 LYS C 39 81.002 9.332 0.608 1.00 0.00 H new ATOM 0 HE2 LYS C 39 82.220 9.109 2.613 1.00 0.00 H new ATOM 0 HE3 LYS C 39 82.701 7.611 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 84.653 8.912 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 84.606 8.774 0.833 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 84.139 10.226 1.579 1.00 0.00 H new ATOM 599 N GLU C 40 78.111 7.437 0.183 1.00 0.00 N ATOM 600 CA GLU C 40 77.078 7.970 1.133 1.00 0.00 C ATOM 601 C GLU C 40 76.117 6.857 1.579 1.00 0.00 C ATOM 602 O GLU C 40 75.520 6.936 2.637 1.00 0.00 O ATOM 603 CB GLU C 40 76.319 9.040 0.342 1.00 0.00 C ATOM 604 CG GLU C 40 77.293 10.128 -0.132 1.00 0.00 C ATOM 605 CD GLU C 40 77.379 10.120 -1.661 1.00 0.00 C ATOM 606 OE1 GLU C 40 77.950 9.185 -2.199 1.00 0.00 O1- ATOM 607 OE2 GLU C 40 76.876 11.051 -2.266 1.00 0.00 O ATOM 0 H GLU C 40 77.823 7.408 -0.795 1.00 0.00 H new ATOM 0 HA GLU C 40 77.534 8.371 2.038 1.00 0.00 H new ATOM 0 HB2 GLU C 40 75.821 8.586 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU C 40 75.541 9.482 0.965 1.00 0.00 H new ATOM 0 HG2 GLU C 40 76.959 11.105 0.217 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.280 9.957 0.297 1.00 0.00 H new ATOM 614 N LEU C 41 75.956 5.828 0.779 1.00 0.00 N ATOM 615 CA LEU C 41 75.024 4.709 1.150 1.00 0.00 C ATOM 616 C LEU C 41 75.327 4.164 2.559 1.00 0.00 C ATOM 617 O LEU C 41 74.423 3.865 3.317 1.00 0.00 O ATOM 618 CB LEU C 41 75.256 3.620 0.100 1.00 0.00 C ATOM 619 CG LEU C 41 73.907 3.106 -0.422 1.00 0.00 C ATOM 620 CD1 LEU C 41 72.985 2.786 0.758 1.00 0.00 C ATOM 621 CD2 LEU C 41 73.257 4.174 -1.309 1.00 0.00 C ATOM 0 H LEU C 41 76.430 5.713 -0.117 1.00 0.00 H new ATOM 0 HA LEU C 41 73.989 5.052 1.170 1.00 0.00 H new ATOM 0 HB2 LEU C 41 75.848 4.017 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU C 41 75.825 2.798 0.534 1.00 0.00 H new ATOM 0 HG LEU C 41 74.069 2.201 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU C 41 72.028 2.421 0.384 1.00 0.00 H new ATOM 0 HD12 LEU C 41 73.446 2.021 1.383 1.00 0.00 H new ATOM 0 HD13 LEU C 41 72.824 3.688 1.349 1.00 0.00 H new ATOM 0 HD21 LEU C 41 72.300 3.807 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU C 41 73.097 5.082 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU C 41 73.911 4.394 -2.153 1.00 0.00 H new ATOM 633 N GLY C 42 76.587 4.034 2.916 1.00 0.00 N ATOM 634 CA GLY C 42 76.940 3.513 4.280 1.00 0.00 C ATOM 635 C GLY C 42 76.338 4.429 5.346 1.00 0.00 C ATOM 636 O GLY C 42 75.779 3.971 6.324 1.00 0.00 O ATOM 0 H GLY C 42 77.384 4.266 2.323 1.00 0.00 H new ATOM 0 HA2 GLY C 42 76.563 2.498 4.402 1.00 0.00 H new ATOM 0 HA3 GLY C 42 78.023 3.467 4.394 1.00 0.00 H new ATOM 640 N LYS C 43 76.426 5.719 5.154 1.00 0.00 N ATOM 641 CA LYS C 43 75.831 6.666 6.143 1.00 0.00 C ATOM 642 C LYS C 43 74.299 6.560 6.093 1.00 0.00 C ATOM 643 O LYS C 43 73.633 6.629 7.107 1.00 0.00 O ATOM 644 CB LYS C 43 76.289 8.053 5.697 1.00 0.00 C ATOM 645 CG LYS C 43 77.769 8.238 6.045 1.00 0.00 C ATOM 646 CD LYS C 43 78.420 9.146 4.997 1.00 0.00 C ATOM 647 CE LYS C 43 79.913 9.314 5.306 1.00 0.00 C ATOM 648 NZ LYS C 43 80.106 10.781 5.504 1.00 0.00 N1+ ATOM 0 H LYS C 43 76.884 6.158 4.355 1.00 0.00 H new ATOM 0 HA LYS C 43 76.141 6.454 7.166 1.00 0.00 H new ATOM 0 HB2 LYS C 43 76.139 8.169 4.624 1.00 0.00 H new ATOM 0 HB3 LYS C 43 75.690 8.821 6.187 1.00 0.00 H new ATOM 0 HG2 LYS C 43 77.870 8.677 7.038 1.00 0.00 H new ATOM 0 HG3 LYS C 43 78.273 7.272 6.071 1.00 0.00 H new ATOM 0 HD2 LYS C 43 78.292 8.718 4.003 1.00 0.00 H new ATOM 0 HD3 LYS C 43 77.929 10.119 4.991 1.00 0.00 H new ATOM 0 HE2 LYS C 43 80.196 8.755 6.198 1.00 0.00 H new ATOM 0 HE3 LYS C 43 80.529 8.942 4.488 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 81.105 10.974 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 79.835 11.287 4.637 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 79.513 11.106 6.294 1.00 0.00 H new ATOM 662 N VAL C 44 73.745 6.378 4.915 1.00 0.00 N ATOM 663 CA VAL C 44 72.255 6.251 4.774 1.00 0.00 C ATOM 664 C VAL C 44 71.733 5.087 5.633 1.00 0.00 C ATOM 665 O VAL C 44 70.807 5.243 6.405 1.00 0.00 O ATOM 666 CB VAL C 44 72.024 5.964 3.278 1.00 0.00 C ATOM 667 CG1 VAL C 44 70.598 5.456 3.053 1.00 0.00 C ATOM 668 CG2 VAL C 44 72.221 7.244 2.466 1.00 0.00 C ATOM 0 H VAL C 44 74.264 6.312 4.039 1.00 0.00 H new ATOM 0 HA VAL C 44 71.731 7.147 5.106 1.00 0.00 H new ATOM 0 HB VAL C 44 72.739 5.206 2.957 1.00 0.00 H new ATOM 0 HG11 VAL C 44 70.446 5.256 1.992 1.00 0.00 H new ATOM 0 HG12 VAL C 44 70.445 4.538 3.621 1.00 0.00 H new ATOM 0 HG13 VAL C 44 69.886 6.211 3.386 1.00 0.00 H new ATOM 0 HG21 VAL C 44 72.056 7.034 1.409 1.00 0.00 H new ATOM 0 HG22 VAL C 44 71.511 8.000 2.801 1.00 0.00 H new ATOM 0 HG23 VAL C 44 73.237 7.612 2.608 1.00 0.00 H new ATOM 678 N MET C 45 72.321 3.923 5.496 1.00 0.00 N ATOM 679 CA MET C 45 71.859 2.737 6.295 1.00 0.00 C ATOM 680 C MET C 45 71.991 3.004 7.803 1.00 0.00 C ATOM 681 O MET C 45 71.033 2.877 8.539 1.00 0.00 O ATOM 682 CB MET C 45 72.757 1.572 5.857 1.00 0.00 C ATOM 683 CG MET C 45 72.649 1.374 4.340 1.00 0.00 C ATOM 684 SD MET C 45 72.048 -0.291 3.988 1.00 0.00 S ATOM 685 CE MET C 45 70.300 0.053 4.285 1.00 0.00 C ATOM 0 H MET C 45 73.102 3.740 4.866 1.00 0.00 H new ATOM 0 HA MET C 45 70.806 2.518 6.119 1.00 0.00 H new ATOM 0 HB2 MET C 45 73.792 1.775 6.134 1.00 0.00 H new ATOM 0 HB3 MET C 45 72.462 0.659 6.374 1.00 0.00 H new ATOM 0 HG2 MET C 45 71.971 2.114 3.914 1.00 0.00 H new ATOM 0 HG3 MET C 45 73.622 1.527 3.873 1.00 0.00 H new ATOM 0 HE1 MET C 45 69.797 -0.862 4.597 1.00 0.00 H new ATOM 0 HE2 MET C 45 70.205 0.804 5.069 1.00 0.00 H new ATOM 0 HE3 MET C 45 69.842 0.425 3.369 1.00 0.00 H new ATOM 695 N ARG C 46 73.158 3.380 8.266 1.00 0.00 N ATOM 696 CA ARG C 46 73.334 3.664 9.730 1.00 0.00 C ATOM 697 C ARG C 46 72.398 4.797 10.178 1.00 0.00 C ATOM 698 O ARG C 46 71.812 4.737 11.242 1.00 0.00 O ATOM 699 CB ARG C 46 74.796 4.083 9.882 1.00 0.00 C ATOM 700 CG ARG C 46 75.599 2.921 10.467 1.00 0.00 C ATOM 701 CD ARG C 46 76.935 2.804 9.733 1.00 0.00 C ATOM 702 NE ARG C 46 77.079 1.353 9.423 1.00 0.00 N ATOM 703 CZ ARG C 46 77.926 0.629 10.089 1.00 0.00 C ATOM 704 NH1 ARG C 46 77.547 0.026 11.179 1.00 0.00 N1+ ATOM 705 NH2 ARG C 46 79.151 0.502 9.663 1.00 0.00 N ATOM 0 H ARG C 46 73.996 3.503 7.698 1.00 0.00 H new ATOM 0 HA ARG C 46 73.092 2.797 10.345 1.00 0.00 H new ATOM 0 HB2 ARG C 46 75.206 4.372 8.914 1.00 0.00 H new ATOM 0 HB3 ARG C 46 74.870 4.955 10.532 1.00 0.00 H new ATOM 0 HG2 ARG C 46 75.770 3.082 11.531 1.00 0.00 H new ATOM 0 HG3 ARG C 46 75.037 1.992 10.372 1.00 0.00 H new ATOM 0 HD2 ARG C 46 76.939 3.404 8.823 1.00 0.00 H new ATOM 0 HD3 ARG C 46 77.758 3.159 10.353 1.00 0.00 H new ATOM 0 HE ARG C 46 76.512 0.929 8.688 1.00 0.00 H new ATOM 0 HH11 ARG C 46 76.586 0.123 11.508 1.00 0.00 H new ATOM 0 HH12 ARG C 46 78.211 -0.543 11.704 1.00 0.00 H new ATOM 0 HH21 ARG C 46 79.444 0.971 8.806 1.00 0.00 H new ATOM 0 HH22 ARG C 46 79.817 -0.067 10.186 1.00 0.00 H new ATOM 719 N MET C 47 72.249 5.822 9.372 1.00 0.00 N ATOM 720 CA MET C 47 71.340 6.955 9.751 1.00 0.00 C ATOM 721 C MET C 47 69.892 6.457 9.892 1.00 0.00 C ATOM 722 O MET C 47 69.175 6.876 10.778 1.00 0.00 O ATOM 723 CB MET C 47 71.450 7.965 8.603 1.00 0.00 C ATOM 724 CG MET C 47 70.423 9.090 8.794 1.00 0.00 C ATOM 725 SD MET C 47 68.998 8.798 7.714 1.00 0.00 S ATOM 726 CE MET C 47 69.783 9.294 6.161 1.00 0.00 C ATOM 0 H MET C 47 72.715 5.924 8.471 1.00 0.00 H new ATOM 0 HA MET C 47 71.618 7.397 10.708 1.00 0.00 H new ATOM 0 HB2 MET C 47 72.457 8.382 8.570 1.00 0.00 H new ATOM 0 HB3 MET C 47 71.280 7.464 7.650 1.00 0.00 H new ATOM 0 HG2 MET C 47 70.102 9.130 9.835 1.00 0.00 H new ATOM 0 HG3 MET C 47 70.876 10.054 8.563 1.00 0.00 H new ATOM 0 HE1 MET C 47 69.325 10.214 5.799 1.00 0.00 H new ATOM 0 HE2 MET C 47 70.847 9.460 6.328 1.00 0.00 H new ATOM 0 HE3 MET C 47 69.651 8.507 5.419 1.00 0.00 H new ATOM 736 N LEU C 48 69.462 5.568 9.027 1.00 0.00 N ATOM 737 CA LEU C 48 68.060 5.042 9.112 1.00 0.00 C ATOM 738 C LEU C 48 67.936 4.049 10.272 1.00 0.00 C ATOM 739 O LEU C 48 66.920 3.983 10.936 1.00 0.00 O ATOM 740 CB LEU C 48 67.812 4.334 7.775 1.00 0.00 C ATOM 741 CG LEU C 48 67.320 5.349 6.738 1.00 0.00 C ATOM 742 CD1 LEU C 48 67.789 4.929 5.344 1.00 0.00 C ATOM 743 CD2 LEU C 48 65.788 5.407 6.769 1.00 0.00 C ATOM 0 H LEU C 48 70.021 5.184 8.265 1.00 0.00 H new ATOM 0 HA LEU C 48 67.336 5.837 9.292 1.00 0.00 H new ATOM 0 HB2 LEU C 48 68.730 3.860 7.427 1.00 0.00 H new ATOM 0 HB3 LEU C 48 67.073 3.543 7.903 1.00 0.00 H new ATOM 0 HG LEU C 48 67.726 6.333 6.973 1.00 0.00 H new ATOM 0 HD11 LEU C 48 67.438 5.653 4.609 1.00 0.00 H new ATOM 0 HD12 LEU C 48 68.878 4.890 5.323 1.00 0.00 H new ATOM 0 HD13 LEU C 48 67.386 3.945 5.106 1.00 0.00 H new ATOM 0 HD21 LEU C 48 65.436 6.129 6.032 1.00 0.00 H new ATOM 0 HD22 LEU C 48 65.382 4.423 6.536 1.00 0.00 H new ATOM 0 HD23 LEU C 48 65.455 5.711 7.762 1.00 0.00 H new ATOM 755 N GLY C 49 68.964 3.282 10.518 1.00 0.00 N ATOM 756 CA GLY C 49 68.919 2.290 11.633 1.00 0.00 C ATOM 757 C GLY C 49 69.389 0.923 11.129 1.00 0.00 C ATOM 758 O GLY C 49 68.826 -0.100 11.469 1.00 0.00 O ATOM 0 H GLY C 49 69.838 3.299 9.992 1.00 0.00 H new ATOM 0 HA2 GLY C 49 69.554 2.623 12.454 1.00 0.00 H new ATOM 0 HA3 GLY C 49 67.904 2.215 12.024 1.00 0.00 H new ATOM 762 N GLN C 50 70.432 0.900 10.339 1.00 0.00 N ATOM 763 CA GLN C 50 70.970 -0.396 9.823 1.00 0.00 C ATOM 764 C GLN C 50 72.411 -0.548 10.316 1.00 0.00 C ATOM 765 O GLN C 50 73.086 0.433 10.576 1.00 0.00 O ATOM 766 CB GLN C 50 70.956 -0.304 8.286 1.00 0.00 C ATOM 767 CG GLN C 50 69.626 0.274 7.771 1.00 0.00 C ATOM 768 CD GLN C 50 68.614 -0.852 7.513 1.00 0.00 C ATOM 769 OE1 GLN C 50 68.228 -1.092 6.386 1.00 0.00 O ATOM 770 NE2 GLN C 50 68.151 -1.550 8.514 1.00 0.00 N ATOM 0 H GLN C 50 70.938 1.729 10.027 1.00 0.00 H new ATOM 0 HA GLN C 50 70.381 -1.247 10.164 1.00 0.00 H new ATOM 0 HB2 GLN C 50 71.782 0.323 7.950 1.00 0.00 H new ATOM 0 HB3 GLN C 50 71.114 -1.294 7.859 1.00 0.00 H new ATOM 0 HG2 GLN C 50 69.221 0.975 8.501 1.00 0.00 H new ATOM 0 HG3 GLN C 50 69.798 0.834 6.852 1.00 0.00 H new ATOM 0 HE21 GLN C 50 68.470 -1.355 9.463 1.00 0.00 H new ATOM 0 HE22 GLN C 50 67.470 -2.291 8.347 1.00 0.00 H new ATOM 779 N ASN C 51 72.897 -1.753 10.443 1.00 0.00 N ATOM 780 CA ASN C 51 74.303 -1.931 10.919 1.00 0.00 C ATOM 781 C ASN C 51 75.118 -2.811 9.948 1.00 0.00 C ATOM 782 O ASN C 51 75.749 -3.767 10.364 1.00 0.00 O ATOM 783 CB ASN C 51 74.156 -2.597 12.292 1.00 0.00 C ATOM 784 CG ASN C 51 75.122 -1.953 13.288 1.00 0.00 C ATOM 785 OD1 ASN C 51 76.261 -1.681 12.965 1.00 0.00 O ATOM 786 ND2 ASN C 51 74.714 -1.698 14.499 1.00 0.00 N ATOM 0 H ASN C 51 72.390 -2.615 10.241 1.00 0.00 H new ATOM 0 HA ASN C 51 74.845 -0.987 10.974 1.00 0.00 H new ATOM 0 HB2 ASN C 51 73.131 -2.495 12.648 1.00 0.00 H new ATOM 0 HB3 ASN C 51 74.360 -3.665 12.212 1.00 0.00 H new ATOM 0 HD21 ASN C 51 75.350 -1.271 15.172 1.00 0.00 H new ATOM 0 HD22 ASN C 51 73.758 -1.925 14.774 1.00 0.00 H new ATOM 793 N PRO C 52 75.095 -2.451 8.677 1.00 0.00 N ATOM 794 CA PRO C 52 75.857 -3.215 7.651 1.00 0.00 C ATOM 795 C PRO C 52 77.356 -2.905 7.758 1.00 0.00 C ATOM 796 O PRO C 52 77.746 -1.785 8.028 1.00 0.00 O ATOM 797 CB PRO C 52 75.304 -2.687 6.330 1.00 0.00 C ATOM 798 CG PRO C 52 74.796 -1.316 6.642 1.00 0.00 C ATOM 799 CD PRO C 52 74.364 -1.321 8.082 1.00 0.00 C ATOM 0 HA PRO C 52 75.752 -4.295 7.760 1.00 0.00 H new ATOM 0 HB2 PRO C 52 76.078 -2.656 5.563 1.00 0.00 H new ATOM 0 HB3 PRO C 52 74.506 -3.327 5.952 1.00 0.00 H new ATOM 0 HG2 PRO C 52 75.573 -0.570 6.476 1.00 0.00 H new ATOM 0 HG3 PRO C 52 73.961 -1.057 5.990 1.00 0.00 H new ATOM 0 HD2 PRO C 52 74.614 -0.382 8.575 1.00 0.00 H new ATOM 0 HD3 PRO C 52 73.286 -1.452 8.173 1.00 0.00 H new ATOM 807 N THR C 53 78.198 -3.880 7.538 1.00 0.00 N ATOM 808 CA THR C 53 79.670 -3.629 7.618 1.00 0.00 C ATOM 809 C THR C 53 80.139 -2.851 6.380 1.00 0.00 C ATOM 810 O THR C 53 79.534 -2.939 5.329 1.00 0.00 O ATOM 811 CB THR C 53 80.335 -5.011 7.667 1.00 0.00 C ATOM 812 OG1 THR C 53 79.432 -6.007 7.215 1.00 0.00 O ATOM 813 CG2 THR C 53 80.760 -5.332 9.099 1.00 0.00 C ATOM 0 H THR C 53 77.933 -4.837 7.307 1.00 0.00 H new ATOM 0 HA THR C 53 79.930 -3.035 8.494 1.00 0.00 H new ATOM 0 HB THR C 53 81.211 -4.998 7.018 1.00 0.00 H new ATOM 0 HG1 THR C 53 79.868 -6.884 7.249 1.00 0.00 H new ATOM 0 HG21 THR C 53 81.231 -6.314 9.127 1.00 0.00 H new ATOM 0 HG22 THR C 53 81.468 -4.580 9.446 1.00 0.00 H new ATOM 0 HG23 THR C 53 79.884 -5.331 9.747 1.00 0.00 H new ATOM 821 N PRO C 54 81.203 -2.104 6.552 1.00 0.00 N ATOM 822 CA PRO C 54 81.760 -1.282 5.439 1.00 0.00 C ATOM 823 C PRO C 54 82.381 -2.156 4.332 1.00 0.00 C ATOM 824 O PRO C 54 82.156 -1.919 3.158 1.00 0.00 O ATOM 825 CB PRO C 54 82.814 -0.416 6.129 1.00 0.00 C ATOM 826 CG PRO C 54 83.204 -1.180 7.354 1.00 0.00 C ATOM 827 CD PRO C 54 81.986 -1.956 7.785 1.00 0.00 C ATOM 0 HA PRO C 54 80.996 -0.695 4.929 1.00 0.00 H new ATOM 0 HB2 PRO C 54 83.673 -0.248 5.479 1.00 0.00 H new ATOM 0 HB3 PRO C 54 82.412 0.564 6.387 1.00 0.00 H new ATOM 0 HG2 PRO C 54 84.036 -1.851 7.143 1.00 0.00 H new ATOM 0 HG3 PRO C 54 83.532 -0.504 8.144 1.00 0.00 H new ATOM 0 HD2 PRO C 54 82.258 -2.925 8.204 1.00 0.00 H new ATOM 0 HD3 PRO C 54 81.425 -1.423 8.553 1.00 0.00 H new ATOM 835 N GLU C 55 83.151 -3.158 4.682 1.00 0.00 N ATOM 836 CA GLU C 55 83.770 -4.031 3.627 1.00 0.00 C ATOM 837 C GLU C 55 82.706 -4.911 2.948 1.00 0.00 C ATOM 838 O GLU C 55 82.880 -5.344 1.825 1.00 0.00 O ATOM 839 CB GLU C 55 84.840 -4.869 4.356 1.00 0.00 C ATOM 840 CG GLU C 55 84.264 -6.201 4.873 1.00 0.00 C ATOM 841 CD GLU C 55 83.355 -5.973 6.092 1.00 0.00 C ATOM 842 OE1 GLU C 55 83.520 -4.969 6.769 1.00 0.00 O ATOM 843 OE2 GLU C 55 82.510 -6.816 6.331 1.00 0.00 O1- ATOM 0 H GLU C 55 83.378 -3.410 5.644 1.00 0.00 H new ATOM 0 HA GLU C 55 84.218 -3.446 2.824 1.00 0.00 H new ATOM 0 HB2 GLU C 55 85.670 -5.070 3.678 1.00 0.00 H new ATOM 0 HB3 GLU C 55 85.243 -4.297 5.192 1.00 0.00 H new ATOM 0 HG2 GLU C 55 83.698 -6.689 4.079 1.00 0.00 H new ATOM 0 HG3 GLU C 55 85.079 -6.873 5.143 1.00 0.00 H new ATOM 850 N GLU C 56 81.602 -5.160 3.608 1.00 0.00 N ATOM 851 CA GLU C 56 80.527 -5.988 2.985 1.00 0.00 C ATOM 852 C GLU C 56 79.524 -5.079 2.257 1.00 0.00 C ATOM 853 O GLU C 56 78.879 -5.489 1.313 1.00 0.00 O ATOM 854 CB GLU C 56 79.853 -6.712 4.155 1.00 0.00 C ATOM 855 CG GLU C 56 80.539 -8.063 4.395 1.00 0.00 C ATOM 856 CD GLU C 56 79.789 -9.157 3.637 1.00 0.00 C ATOM 857 OE1 GLU C 56 78.779 -9.615 4.144 1.00 0.00 O ATOM 858 OE2 GLU C 56 80.234 -9.514 2.560 1.00 0.00 O1- ATOM 0 H GLU C 56 81.400 -4.825 4.550 1.00 0.00 H new ATOM 0 HA GLU C 56 80.915 -6.690 2.247 1.00 0.00 H new ATOM 0 HB2 GLU C 56 79.910 -6.100 5.055 1.00 0.00 H new ATOM 0 HB3 GLU C 56 78.795 -6.864 3.940 1.00 0.00 H new ATOM 0 HG2 GLU C 56 81.576 -8.021 4.062 1.00 0.00 H new ATOM 0 HG3 GLU C 56 80.556 -8.290 5.461 1.00 0.00 H new ATOM 865 N LEU C 57 79.392 -3.844 2.696 1.00 0.00 N ATOM 866 CA LEU C 57 78.431 -2.896 2.043 1.00 0.00 C ATOM 867 C LEU C 57 78.690 -2.797 0.534 1.00 0.00 C ATOM 868 O LEU C 57 77.762 -2.692 -0.245 1.00 0.00 O ATOM 869 CB LEU C 57 78.679 -1.540 2.711 1.00 0.00 C ATOM 870 CG LEU C 57 77.552 -0.573 2.344 1.00 0.00 C ATOM 871 CD1 LEU C 57 76.331 -0.851 3.222 1.00 0.00 C ATOM 872 CD2 LEU C 57 78.028 0.861 2.567 1.00 0.00 C ATOM 0 H LEU C 57 79.912 -3.453 3.482 1.00 0.00 H new ATOM 0 HA LEU C 57 77.401 -3.233 2.162 1.00 0.00 H new ATOM 0 HB2 LEU C 57 78.730 -1.660 3.793 1.00 0.00 H new ATOM 0 HB3 LEU C 57 79.638 -1.135 2.389 1.00 0.00 H new ATOM 0 HG LEU C 57 77.279 -0.709 1.297 1.00 0.00 H new ATOM 0 HD11 LEU C 57 75.529 -0.161 2.959 1.00 0.00 H new ATOM 0 HD12 LEU C 57 75.995 -1.876 3.064 1.00 0.00 H new ATOM 0 HD13 LEU C 57 76.598 -0.715 4.270 1.00 0.00 H new ATOM 0 HD21 LEU C 57 77.228 1.554 2.307 1.00 0.00 H new ATOM 0 HD22 LEU C 57 78.299 0.996 3.614 1.00 0.00 H new ATOM 0 HD23 LEU C 57 78.897 1.058 1.939 1.00 0.00 H new ATOM 884 N GLN C 58 79.937 -2.827 0.113 1.00 0.00 N ATOM 885 CA GLN C 58 80.235 -2.735 -1.349 1.00 0.00 C ATOM 886 C GLN C 58 79.529 -3.879 -2.090 1.00 0.00 C ATOM 887 O GLN C 58 78.775 -3.650 -3.017 1.00 0.00 O ATOM 888 CB GLN C 58 81.759 -2.854 -1.468 1.00 0.00 C ATOM 889 CG GLN C 58 82.166 -2.707 -2.939 1.00 0.00 C ATOM 890 CD GLN C 58 81.825 -1.296 -3.433 1.00 0.00 C ATOM 891 OE1 GLN C 58 82.263 -0.316 -2.867 1.00 0.00 O ATOM 892 NE2 GLN C 58 81.056 -1.149 -4.476 1.00 0.00 N ATOM 0 H GLN C 58 80.754 -2.911 0.718 1.00 0.00 H new ATOM 0 HA GLN C 58 79.882 -1.802 -1.789 1.00 0.00 H new ATOM 0 HB2 GLN C 58 82.243 -2.085 -0.866 1.00 0.00 H new ATOM 0 HB3 GLN C 58 82.091 -3.817 -1.081 1.00 0.00 H new ATOM 0 HG2 GLN C 58 83.234 -2.893 -3.051 1.00 0.00 H new ATOM 0 HG3 GLN C 58 81.648 -3.450 -3.545 1.00 0.00 H new ATOM 0 HE21 GLN C 58 80.685 -1.969 -4.956 1.00 0.00 H new ATOM 0 HE22 GLN C 58 80.826 -0.214 -4.812 1.00 0.00 H new ATOM 901 N GLU C 59 79.745 -5.103 -1.664 1.00 0.00 N ATOM 902 CA GLU C 59 79.060 -6.259 -2.323 1.00 0.00 C ATOM 903 C GLU C 59 77.541 -6.130 -2.118 1.00 0.00 C ATOM 904 O GLU C 59 76.761 -6.409 -3.007 1.00 0.00 O ATOM 905 CB GLU C 59 79.610 -7.513 -1.622 1.00 0.00 C ATOM 906 CG GLU C 59 78.990 -8.773 -2.244 1.00 0.00 C ATOM 907 CD GLU C 59 79.737 -9.142 -3.528 1.00 0.00 C ATOM 908 OE1 GLU C 59 79.488 -8.510 -4.539 1.00 0.00 O ATOM 909 OE2 GLU C 59 80.542 -10.056 -3.480 1.00 0.00 O1- ATOM 0 H GLU C 59 80.364 -5.349 -0.891 1.00 0.00 H new ATOM 0 HA GLU C 59 79.240 -6.302 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU C 59 80.695 -7.547 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU C 59 79.384 -7.474 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU C 59 79.037 -9.600 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU C 59 77.936 -8.600 -2.463 1.00 0.00 H new ATOM 916 N MET C 60 77.124 -5.689 -0.951 1.00 0.00 N ATOM 917 CA MET C 60 75.662 -5.513 -0.671 1.00 0.00 C ATOM 918 C MET C 60 75.019 -4.598 -1.725 1.00 0.00 C ATOM 919 O MET C 60 74.019 -4.945 -2.328 1.00 0.00 O ATOM 920 CB MET C 60 75.599 -4.866 0.716 1.00 0.00 C ATOM 921 CG MET C 60 75.067 -5.882 1.730 1.00 0.00 C ATOM 922 SD MET C 60 74.195 -5.012 3.053 1.00 0.00 S ATOM 923 CE MET C 60 73.001 -4.149 2.005 1.00 0.00 C ATOM 0 H MET C 60 77.740 -5.442 -0.176 1.00 0.00 H new ATOM 0 HA MET C 60 75.120 -6.458 -0.705 1.00 0.00 H new ATOM 0 HB2 MET C 60 76.590 -4.523 1.014 1.00 0.00 H new ATOM 0 HB3 MET C 60 74.952 -3.989 0.691 1.00 0.00 H new ATOM 0 HG2 MET C 60 74.395 -6.585 1.238 1.00 0.00 H new ATOM 0 HG3 MET C 60 75.890 -6.464 2.144 1.00 0.00 H new ATOM 0 HE1 MET C 60 73.093 -3.074 2.158 1.00 0.00 H new ATOM 0 HE2 MET C 60 73.198 -4.385 0.959 1.00 0.00 H new ATOM 0 HE3 MET C 60 71.992 -4.468 2.265 1.00 0.00 H new ATOM 933 N ILE C 61 75.589 -3.438 -1.957 1.00 0.00 N ATOM 934 CA ILE C 61 75.016 -2.505 -2.979 1.00 0.00 C ATOM 935 C ILE C 61 75.170 -3.105 -4.383 1.00 0.00 C ATOM 936 O ILE C 61 74.248 -3.081 -5.176 1.00 0.00 O ATOM 937 CB ILE C 61 75.818 -1.201 -2.839 1.00 0.00 C ATOM 938 CG1 ILE C 61 75.298 -0.429 -1.624 1.00 0.00 C ATOM 939 CG2 ILE C 61 75.647 -0.337 -4.096 1.00 0.00 C ATOM 940 CD1 ILE C 61 76.121 0.846 -1.419 1.00 0.00 C ATOM 0 H ILE C 61 76.426 -3.098 -1.483 1.00 0.00 H new ATOM 0 HA ILE C 61 73.951 -2.329 -2.829 1.00 0.00 H new ATOM 0 HB ILE C 61 76.874 -1.439 -2.713 1.00 0.00 H new ATOM 0 HG12 ILE C 61 74.248 -0.174 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE C 61 75.355 -1.055 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE C 61 76.220 0.584 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE C 61 76.007 -0.886 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE C 61 74.593 -0.095 -4.230 1.00 0.00 H new ATOM 0 HD11 ILE C 61 75.743 1.388 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE C 61 77.166 0.582 -1.255 1.00 0.00 H new ATOM 0 HD13 ILE C 61 76.041 1.477 -2.304 1.00 0.00 H new ATOM 952 N ASP C 62 76.326 -3.648 -4.694 1.00 0.00 N ATOM 953 CA ASP C 62 76.530 -4.257 -6.050 1.00 0.00 C ATOM 954 C ASP C 62 75.505 -5.371 -6.295 1.00 0.00 C ATOM 955 O ASP C 62 74.932 -5.474 -7.362 1.00 0.00 O ATOM 956 CB ASP C 62 77.944 -4.840 -6.029 1.00 0.00 C ATOM 957 CG ASP C 62 78.928 -3.836 -6.627 1.00 0.00 C ATOM 958 OD1 ASP C 62 78.911 -3.667 -7.833 1.00 0.00 O1- ATOM 959 OD2 ASP C 62 79.686 -3.257 -5.867 1.00 0.00 O ATOM 0 H ASP C 62 77.132 -3.696 -4.071 1.00 0.00 H new ATOM 0 HA ASP C 62 76.404 -3.521 -6.844 1.00 0.00 H new ATOM 0 HB2 ASP C 62 78.233 -5.080 -5.006 1.00 0.00 H new ATOM 0 HB3 ASP C 62 77.972 -5.771 -6.595 1.00 0.00 H new ATOM 964 N GLU C 63 75.269 -6.200 -5.308 1.00 0.00 N ATOM 965 CA GLU C 63 74.276 -7.304 -5.474 1.00 0.00 C ATOM 966 C GLU C 63 72.859 -6.723 -5.553 1.00 0.00 C ATOM 967 O GLU C 63 72.024 -7.213 -6.287 1.00 0.00 O ATOM 968 CB GLU C 63 74.438 -8.175 -4.227 1.00 0.00 C ATOM 969 CG GLU C 63 75.644 -9.102 -4.408 1.00 0.00 C ATOM 970 CD GLU C 63 75.708 -10.097 -3.246 1.00 0.00 C ATOM 971 OE1 GLU C 63 75.630 -9.665 -2.107 1.00 0.00 O ATOM 972 OE2 GLU C 63 75.837 -11.279 -3.513 1.00 0.00 O1- ATOM 0 H GLU C 63 75.722 -6.159 -4.395 1.00 0.00 H new ATOM 0 HA GLU C 63 74.436 -7.877 -6.388 1.00 0.00 H new ATOM 0 HB2 GLU C 63 74.577 -7.547 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU C 63 73.535 -8.763 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU C 63 75.565 -9.637 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU C 63 76.562 -8.516 -4.449 1.00 0.00 H new ATOM 979 N VAL C 64 72.590 -5.677 -4.809 1.00 0.00 N ATOM 980 CA VAL C 64 71.230 -5.054 -4.843 1.00 0.00 C ATOM 981 C VAL C 64 71.022 -4.293 -6.166 1.00 0.00 C ATOM 982 O VAL C 64 69.936 -4.280 -6.711 1.00 0.00 O ATOM 983 CB VAL C 64 71.206 -4.101 -3.641 1.00 0.00 C ATOM 984 CG1 VAL C 64 70.017 -3.141 -3.747 1.00 0.00 C ATOM 985 CG2 VAL C 64 71.077 -4.918 -2.356 1.00 0.00 C ATOM 0 H VAL C 64 73.255 -5.228 -4.179 1.00 0.00 H new ATOM 0 HA VAL C 64 70.430 -5.792 -4.787 1.00 0.00 H new ATOM 0 HB VAL C 64 72.130 -3.523 -3.628 1.00 0.00 H new ATOM 0 HG11 VAL C 64 70.013 -2.471 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL C 64 70.102 -2.556 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL C 64 69.089 -3.712 -3.766 1.00 0.00 H new ATOM 0 HG21 VAL C 64 71.059 -4.246 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL C 64 70.153 -5.496 -2.383 1.00 0.00 H new ATOM 0 HG23 VAL C 64 71.926 -5.596 -2.269 1.00 0.00 H new ATOM 995 N ASP C 65 72.058 -3.671 -6.686 1.00 0.00 N ATOM 996 CA ASP C 65 71.930 -2.925 -7.981 1.00 0.00 C ATOM 997 C ASP C 65 71.577 -3.912 -9.107 1.00 0.00 C ATOM 998 O ASP C 65 72.413 -4.663 -9.576 1.00 0.00 O ATOM 999 CB ASP C 65 73.307 -2.288 -8.206 1.00 0.00 C ATOM 1000 CG ASP C 65 73.209 -1.215 -9.289 1.00 0.00 C ATOM 1001 OD1 ASP C 65 72.794 -0.113 -8.974 1.00 0.00 O ATOM 1002 OD2 ASP C 65 73.555 -1.511 -10.416 1.00 0.00 O1- ATOM 0 H ASP C 65 72.988 -3.649 -6.267 1.00 0.00 H new ATOM 0 HA ASP C 65 71.144 -2.170 -7.965 1.00 0.00 H new ATOM 0 HB2 ASP C 65 73.671 -1.848 -7.277 1.00 0.00 H new ATOM 0 HB3 ASP C 65 74.027 -3.051 -8.501 1.00 0.00 H new ATOM 1007 N GLU C 66 70.332 -3.929 -9.520 1.00 0.00 N ATOM 1008 CA GLU C 66 69.890 -4.880 -10.594 1.00 0.00 C ATOM 1009 C GLU C 66 70.048 -4.263 -11.990 1.00 0.00 C ATOM 1010 O GLU C 66 70.339 -4.958 -12.947 1.00 0.00 O ATOM 1011 CB GLU C 66 68.410 -5.149 -10.302 1.00 0.00 C ATOM 1012 CG GLU C 66 68.280 -6.262 -9.259 1.00 0.00 C ATOM 1013 CD GLU C 66 67.024 -7.089 -9.544 1.00 0.00 C ATOM 1014 OE1 GLU C 66 65.938 -6.586 -9.308 1.00 0.00 O ATOM 1015 OE2 GLU C 66 67.168 -8.214 -9.992 1.00 0.00 O1- ATOM 0 H GLU C 66 69.597 -3.322 -9.158 1.00 0.00 H new ATOM 0 HA GLU C 66 70.491 -5.789 -10.590 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.931 -4.240 -9.939 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.895 -5.436 -11.219 1.00 0.00 H new ATOM 0 HG2 GLU C 66 69.162 -6.902 -9.283 1.00 0.00 H new ATOM 0 HG3 GLU C 66 68.225 -5.832 -8.259 1.00 0.00 H new ATOM 1022 N ASP C 67 69.850 -2.973 -12.117 1.00 0.00 N ATOM 1023 CA ASP C 67 69.982 -2.317 -13.459 1.00 0.00 C ATOM 1024 C ASP C 67 71.454 -2.292 -13.924 1.00 0.00 C ATOM 1025 O ASP C 67 71.730 -2.177 -15.104 1.00 0.00 O ATOM 1026 CB ASP C 67 69.410 -0.897 -13.280 1.00 0.00 C ATOM 1027 CG ASP C 67 70.317 -0.029 -12.398 1.00 0.00 C ATOM 1028 OD1 ASP C 67 70.879 -0.544 -11.449 1.00 0.00 O1- ATOM 1029 OD2 ASP C 67 70.415 1.152 -12.677 1.00 0.00 O ATOM 0 H ASP C 67 69.603 -2.346 -11.352 1.00 0.00 H new ATOM 0 HA ASP C 67 69.443 -2.863 -14.233 1.00 0.00 H new ATOM 0 HB2 ASP C 67 69.292 -0.426 -14.256 1.00 0.00 H new ATOM 0 HB3 ASP C 67 68.418 -0.958 -12.833 1.00 0.00 H new ATOM 1034 N GLY C 68 72.394 -2.420 -13.016 1.00 0.00 N ATOM 1035 CA GLY C 68 73.839 -2.429 -13.410 1.00 0.00 C ATOM 1036 C GLY C 68 74.362 -1.004 -13.622 1.00 0.00 C ATOM 1037 O GLY C 68 75.061 -0.735 -14.581 1.00 0.00 O ATOM 0 H GLY C 68 72.221 -2.519 -12.016 1.00 0.00 H new ATOM 0 HA2 GLY C 68 74.427 -2.924 -12.637 1.00 0.00 H new ATOM 0 HA3 GLY C 68 73.966 -3.006 -14.326 1.00 0.00 H new ATOM 1041 N SER C 69 74.050 -0.096 -12.731 1.00 0.00 N ATOM 1042 CA SER C 69 74.551 1.307 -12.883 1.00 0.00 C ATOM 1043 C SER C 69 75.671 1.607 -11.872 1.00 0.00 C ATOM 1044 O SER C 69 76.579 2.364 -12.161 1.00 0.00 O ATOM 1045 CB SER C 69 73.335 2.212 -12.641 1.00 0.00 C ATOM 1046 OG SER C 69 72.996 2.215 -11.256 1.00 0.00 O ATOM 0 H SER C 69 73.472 -0.264 -11.907 1.00 0.00 H new ATOM 0 HA SER C 69 74.981 1.471 -13.871 1.00 0.00 H new ATOM 0 HB2 SER C 69 73.555 3.227 -12.972 1.00 0.00 H new ATOM 0 HB3 SER C 69 72.488 1.861 -13.230 1.00 0.00 H new ATOM 0 HG SER C 69 72.072 1.909 -11.145 1.00 0.00 H new ATOM 1052 N GLY C 70 75.624 1.029 -10.693 1.00 0.00 N ATOM 1053 CA GLY C 70 76.696 1.303 -9.683 1.00 0.00 C ATOM 1054 C GLY C 70 76.135 2.154 -8.532 1.00 0.00 C ATOM 1055 O GLY C 70 76.634 2.107 -7.424 1.00 0.00 O ATOM 0 H GLY C 70 74.895 0.384 -10.389 1.00 0.00 H new ATOM 0 HA2 GLY C 70 77.087 0.363 -9.293 1.00 0.00 H new ATOM 0 HA3 GLY C 70 77.528 1.823 -10.157 1.00 0.00 H new ATOM 1059 N THR C 71 75.100 2.927 -8.782 1.00 0.00 N ATOM 1060 CA THR C 71 74.510 3.781 -7.696 1.00 0.00 C ATOM 1061 C THR C 71 73.140 3.224 -7.269 1.00 0.00 C ATOM 1062 O THR C 71 72.432 2.623 -8.058 1.00 0.00 O ATOM 1063 CB THR C 71 74.361 5.176 -8.311 1.00 0.00 C ATOM 1064 OG1 THR C 71 73.653 5.082 -9.541 1.00 0.00 O ATOM 1065 CG2 THR C 71 75.743 5.783 -8.566 1.00 0.00 C ATOM 0 H THR C 71 74.639 3.003 -9.689 1.00 0.00 H new ATOM 0 HA THR C 71 75.136 3.802 -6.804 1.00 0.00 H new ATOM 0 HB THR C 71 73.810 5.813 -7.619 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.767 5.489 -9.441 1.00 0.00 H new ATOM 0 HG21 THR C 71 75.630 6.775 -9.003 1.00 0.00 H new ATOM 0 HG22 THR C 71 76.285 5.862 -7.624 1.00 0.00 H new ATOM 0 HG23 THR C 71 76.299 5.145 -9.253 1.00 0.00 H new ATOM 1073 N VAL C 72 72.770 3.411 -6.024 1.00 0.00 N ATOM 1074 CA VAL C 72 71.457 2.877 -5.535 1.00 0.00 C ATOM 1075 C VAL C 72 70.333 3.902 -5.722 1.00 0.00 C ATOM 1076 O VAL C 72 70.464 5.059 -5.364 1.00 0.00 O ATOM 1077 CB VAL C 72 71.670 2.599 -4.043 1.00 0.00 C ATOM 1078 CG1 VAL C 72 70.353 2.134 -3.414 1.00 0.00 C ATOM 1079 CG2 VAL C 72 72.730 1.509 -3.860 1.00 0.00 C ATOM 0 H VAL C 72 73.320 3.910 -5.325 1.00 0.00 H new ATOM 0 HA VAL C 72 71.160 1.987 -6.089 1.00 0.00 H new ATOM 0 HB VAL C 72 72.007 3.514 -3.556 1.00 0.00 H new ATOM 0 HG11 VAL C 72 70.506 1.937 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL C 72 69.598 2.911 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL C 72 70.016 1.222 -3.908 1.00 0.00 H new ATOM 0 HG21 VAL C 72 72.875 1.318 -2.797 1.00 0.00 H new ATOM 0 HG22 VAL C 72 72.400 0.594 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL C 72 73.671 1.839 -4.301 1.00 0.00 H new ATOM 1089 N ASP C 73 69.218 3.475 -6.258 1.00 0.00 N ATOM 1090 CA ASP C 73 68.065 4.408 -6.446 1.00 0.00 C ATOM 1091 C ASP C 73 66.864 3.914 -5.622 1.00 0.00 C ATOM 1092 O ASP C 73 67.001 3.062 -4.765 1.00 0.00 O ATOM 1093 CB ASP C 73 67.739 4.425 -7.961 1.00 0.00 C ATOM 1094 CG ASP C 73 68.689 3.517 -8.754 1.00 0.00 C ATOM 1095 OD1 ASP C 73 69.776 3.965 -9.077 1.00 0.00 O ATOM 1096 OD2 ASP C 73 68.311 2.392 -9.028 1.00 0.00 O1- ATOM 0 H ASP C 73 69.056 2.519 -6.574 1.00 0.00 H new ATOM 0 HA ASP C 73 68.302 5.416 -6.105 1.00 0.00 H new ATOM 0 HB2 ASP C 73 66.710 4.100 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP C 73 67.811 5.445 -8.338 1.00 0.00 H new ATOM 1101 N PHE C 74 65.696 4.449 -5.869 1.00 0.00 N ATOM 1102 CA PHE C 74 64.481 4.028 -5.099 1.00 0.00 C ATOM 1103 C PHE C 74 64.220 2.517 -5.232 1.00 0.00 C ATOM 1104 O PHE C 74 63.859 1.861 -4.272 1.00 0.00 O ATOM 1105 CB PHE C 74 63.336 4.829 -5.720 1.00 0.00 C ATOM 1106 CG PHE C 74 62.111 4.730 -4.848 1.00 0.00 C ATOM 1107 CD1 PHE C 74 62.138 5.217 -3.537 1.00 0.00 C ATOM 1108 CD2 PHE C 74 60.946 4.145 -5.354 1.00 0.00 C ATOM 1109 CE1 PHE C 74 60.997 5.121 -2.734 1.00 0.00 C ATOM 1110 CE2 PHE C 74 59.803 4.049 -4.551 1.00 0.00 C ATOM 1111 CZ PHE C 74 59.830 4.537 -3.239 1.00 0.00 C ATOM 0 H PHE C 74 65.528 5.165 -6.576 1.00 0.00 H new ATOM 0 HA PHE C 74 64.595 4.216 -4.031 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.630 5.873 -5.833 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.115 4.450 -6.718 1.00 0.00 H new ATOM 0 HD1 PHE C 74 63.039 5.666 -3.145 1.00 0.00 H new ATOM 0 HD2 PHE C 74 60.928 3.767 -6.365 1.00 0.00 H new ATOM 0 HE1 PHE C 74 61.017 5.498 -1.722 1.00 0.00 H new ATOM 0 HE2 PHE C 74 58.903 3.600 -4.943 1.00 0.00 H new ATOM 0 HZ PHE C 74 58.950 4.463 -2.617 1.00 0.00 H new ATOM 1121 N ASP C 75 64.401 1.961 -6.407 1.00 0.00 N ATOM 1122 CA ASP C 75 64.164 0.492 -6.588 1.00 0.00 C ATOM 1123 C ASP C 75 65.129 -0.311 -5.706 1.00 0.00 C ATOM 1124 O ASP C 75 64.717 -1.149 -4.924 1.00 0.00 O ATOM 1125 CB ASP C 75 64.439 0.208 -8.072 1.00 0.00 C ATOM 1126 CG ASP C 75 63.186 0.492 -8.904 1.00 0.00 C ATOM 1127 OD1 ASP C 75 62.895 1.655 -9.123 1.00 0.00 O ATOM 1128 OD2 ASP C 75 62.543 -0.459 -9.314 1.00 0.00 O1- ATOM 0 H ASP C 75 64.701 2.458 -7.245 1.00 0.00 H new ATOM 0 HA ASP C 75 63.151 0.207 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.265 0.827 -8.422 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.743 -0.831 -8.201 1.00 0.00 H new ATOM 1133 N GLU C 76 66.412 -0.064 -5.830 1.00 0.00 N ATOM 1134 CA GLU C 76 67.410 -0.817 -5.005 1.00 0.00 C ATOM 1135 C GLU C 76 67.243 -0.503 -3.511 1.00 0.00 C ATOM 1136 O GLU C 76 67.331 -1.387 -2.680 1.00 0.00 O ATOM 1137 CB GLU C 76 68.783 -0.363 -5.510 1.00 0.00 C ATOM 1138 CG GLU C 76 69.173 -1.190 -6.746 1.00 0.00 C ATOM 1139 CD GLU C 76 69.620 -0.264 -7.881 1.00 0.00 C ATOM 1140 OE1 GLU C 76 70.292 0.710 -7.598 1.00 0.00 O ATOM 1141 OE2 GLU C 76 69.290 -0.554 -9.019 1.00 0.00 O1- ATOM 0 H GLU C 76 66.811 0.626 -6.467 1.00 0.00 H new ATOM 0 HA GLU C 76 67.280 -1.895 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU C 76 68.758 0.697 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU C 76 69.530 -0.487 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU C 76 69.977 -1.881 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU C 76 68.326 -1.793 -7.071 1.00 0.00 H new ATOM 1148 N PHE C 77 67.002 0.737 -3.156 1.00 0.00 N ATOM 1149 CA PHE C 77 66.830 1.083 -1.705 1.00 0.00 C ATOM 1150 C PHE C 77 65.707 0.234 -1.076 1.00 0.00 C ATOM 1151 O PHE C 77 65.835 -0.233 0.040 1.00 0.00 O ATOM 1152 CB PHE C 77 66.471 2.578 -1.685 1.00 0.00 C ATOM 1153 CG PHE C 77 66.413 3.093 -0.260 1.00 0.00 C ATOM 1154 CD1 PHE C 77 67.427 2.770 0.655 1.00 0.00 C ATOM 1155 CD2 PHE C 77 65.346 3.907 0.142 1.00 0.00 C ATOM 1156 CE1 PHE C 77 67.367 3.261 1.967 1.00 0.00 C ATOM 1157 CE2 PHE C 77 65.286 4.395 1.453 1.00 0.00 C ATOM 1158 CZ PHE C 77 66.296 4.073 2.365 1.00 0.00 C ATOM 0 H PHE C 77 66.917 1.521 -3.802 1.00 0.00 H new ATOM 0 HA PHE C 77 67.730 0.880 -1.125 1.00 0.00 H new ATOM 0 HB2 PHE C 77 67.211 3.143 -2.252 1.00 0.00 H new ATOM 0 HB3 PHE C 77 65.509 2.733 -2.173 1.00 0.00 H new ATOM 0 HD1 PHE C 77 68.252 2.144 0.349 1.00 0.00 H new ATOM 0 HD2 PHE C 77 64.567 4.159 -0.562 1.00 0.00 H new ATOM 0 HE1 PHE C 77 68.147 3.013 2.672 1.00 0.00 H new ATOM 0 HE2 PHE C 77 64.460 5.020 1.760 1.00 0.00 H new ATOM 0 HZ PHE C 77 66.251 4.450 3.376 1.00 0.00 H new ATOM 1168 N LEU C 78 64.618 0.021 -1.783 1.00 0.00 N ATOM 1169 CA LEU C 78 63.497 -0.810 -1.222 1.00 0.00 C ATOM 1170 C LEU C 78 63.996 -2.223 -0.885 1.00 0.00 C ATOM 1171 O LEU C 78 63.690 -2.760 0.163 1.00 0.00 O ATOM 1172 CB LEU C 78 62.438 -0.866 -2.329 1.00 0.00 C ATOM 1173 CG LEU C 78 61.341 0.171 -2.058 1.00 0.00 C ATOM 1174 CD1 LEU C 78 60.795 0.691 -3.388 1.00 0.00 C ATOM 1175 CD2 LEU C 78 60.201 -0.478 -1.263 1.00 0.00 C ATOM 0 H LEU C 78 64.457 0.385 -2.722 1.00 0.00 H new ATOM 0 HA LEU C 78 63.098 -0.385 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU C 78 62.901 -0.673 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU C 78 62.003 -1.864 -2.377 1.00 0.00 H new ATOM 0 HG LEU C 78 61.760 0.997 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU C 78 60.015 1.428 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU C 78 61.602 1.154 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU C 78 60.379 -0.138 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU C 78 59.423 0.262 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU C 78 59.782 -1.305 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU C 78 60.586 -0.852 -0.315 1.00 0.00 H new ATOM 1187 N VAL C 79 64.770 -2.823 -1.760 1.00 0.00 N ATOM 1188 CA VAL C 79 65.301 -4.198 -1.484 1.00 0.00 C ATOM 1189 C VAL C 79 66.471 -4.110 -0.493 1.00 0.00 C ATOM 1190 O VAL C 79 66.654 -4.972 0.342 1.00 0.00 O ATOM 1191 CB VAL C 79 65.773 -4.738 -2.843 1.00 0.00 C ATOM 1192 CG1 VAL C 79 66.604 -6.011 -2.646 1.00 0.00 C ATOM 1193 CG2 VAL C 79 64.557 -5.055 -3.719 1.00 0.00 C ATOM 0 H VAL C 79 65.057 -2.421 -2.652 1.00 0.00 H new ATOM 0 HA VAL C 79 64.551 -4.852 -1.040 1.00 0.00 H new ATOM 0 HB VAL C 79 66.389 -3.982 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL C 79 66.933 -6.385 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL C 79 67.474 -5.786 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL C 79 65.996 -6.769 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL C 79 64.893 -5.438 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL C 79 63.939 -5.805 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL C 79 63.973 -4.148 -3.873 1.00 0.00 H new ATOM 1203 N MET C 80 67.263 -3.065 -0.583 1.00 0.00 N ATOM 1204 CA MET C 80 68.423 -2.906 0.351 1.00 0.00 C ATOM 1205 C MET C 80 67.928 -2.783 1.800 1.00 0.00 C ATOM 1206 O MET C 80 68.539 -3.304 2.717 1.00 0.00 O ATOM 1207 CB MET C 80 69.120 -1.617 -0.096 1.00 0.00 C ATOM 1208 CG MET C 80 70.454 -1.467 0.643 1.00 0.00 C ATOM 1209 SD MET C 80 71.771 -1.115 -0.547 1.00 0.00 S ATOM 1210 CE MET C 80 73.016 -0.569 0.646 1.00 0.00 C ATOM 0 H MET C 80 67.154 -2.315 -1.265 1.00 0.00 H new ATOM 0 HA MET C 80 69.097 -3.762 0.322 1.00 0.00 H new ATOM 0 HB2 MET C 80 69.290 -1.639 -1.172 1.00 0.00 H new ATOM 0 HB3 MET C 80 68.482 -0.757 0.108 1.00 0.00 H new ATOM 0 HG2 MET C 80 70.387 -0.662 1.375 1.00 0.00 H new ATOM 0 HG3 MET C 80 70.681 -2.380 1.193 1.00 0.00 H new ATOM 0 HE1 MET C 80 73.593 0.252 0.220 1.00 0.00 H new ATOM 0 HE2 MET C 80 72.523 -0.231 1.557 1.00 0.00 H new ATOM 0 HE3 MET C 80 73.683 -1.398 0.881 1.00 0.00 H new ATOM 1220 N MET C 81 66.820 -2.105 2.008 1.00 0.00 N ATOM 1221 CA MET C 81 66.266 -1.952 3.392 1.00 0.00 C ATOM 1222 C MET C 81 65.974 -3.333 3.999 1.00 0.00 C ATOM 1223 O MET C 81 66.473 -3.667 5.058 1.00 0.00 O ATOM 1224 CB MET C 81 64.970 -1.147 3.222 1.00 0.00 C ATOM 1225 CG MET C 81 65.301 0.349 3.162 1.00 0.00 C ATOM 1226 SD MET C 81 65.333 1.032 4.841 1.00 0.00 S ATOM 1227 CE MET C 81 67.098 1.431 4.912 1.00 0.00 C ATOM 0 H MET C 81 66.275 -1.650 1.275 1.00 0.00 H new ATOM 0 HA MET C 81 66.964 -1.452 4.063 1.00 0.00 H new ATOM 0 HB2 MET C 81 64.456 -1.453 2.311 1.00 0.00 H new ATOM 0 HB3 MET C 81 64.293 -1.348 4.053 1.00 0.00 H new ATOM 0 HG2 MET C 81 66.267 0.499 2.679 1.00 0.00 H new ATOM 0 HG3 MET C 81 64.558 0.872 2.560 1.00 0.00 H new ATOM 0 HE1 MET C 81 67.384 1.634 5.944 1.00 0.00 H new ATOM 0 HE2 MET C 81 67.677 0.589 4.534 1.00 0.00 H new ATOM 0 HE3 MET C 81 67.297 2.311 4.301 1.00 0.00 H new ATOM 1237 N VAL C 82 65.179 -4.142 3.331 1.00 0.00 N ATOM 1238 CA VAL C 82 64.864 -5.514 3.866 1.00 0.00 C ATOM 1239 C VAL C 82 66.133 -6.381 3.897 1.00 0.00 C ATOM 1240 O VAL C 82 66.260 -7.270 4.716 1.00 0.00 O ATOM 1241 CB VAL C 82 63.818 -6.129 2.917 1.00 0.00 C ATOM 1242 CG1 VAL C 82 62.521 -5.323 2.989 1.00 0.00 C ATOM 1243 CG2 VAL C 82 64.338 -6.124 1.476 1.00 0.00 C ATOM 0 H VAL C 82 64.735 -3.914 2.441 1.00 0.00 H new ATOM 0 HA VAL C 82 64.483 -5.458 4.886 1.00 0.00 H new ATOM 0 HB VAL C 82 63.630 -7.158 3.224 1.00 0.00 H new ATOM 0 HG11 VAL C 82 61.783 -5.760 2.317 1.00 0.00 H new ATOM 0 HG12 VAL C 82 62.138 -5.341 4.009 1.00 0.00 H new ATOM 0 HG13 VAL C 82 62.716 -4.292 2.693 1.00 0.00 H new ATOM 0 HG21 VAL C 82 63.588 -6.562 0.817 1.00 0.00 H new ATOM 0 HG22 VAL C 82 64.540 -5.099 1.166 1.00 0.00 H new ATOM 0 HG23 VAL C 82 65.257 -6.708 1.419 1.00 0.00 H new ATOM 1253 N ARG C 83 67.074 -6.119 3.020 1.00 0.00 N ATOM 1254 CA ARG C 83 68.341 -6.912 3.010 1.00 0.00 C ATOM 1255 C ARG C 83 69.136 -6.623 4.294 1.00 0.00 C ATOM 1256 O ARG C 83 69.627 -7.525 4.943 1.00 0.00 O ATOM 1257 CB ARG C 83 69.113 -6.434 1.773 1.00 0.00 C ATOM 1258 CG ARG C 83 69.230 -7.583 0.768 1.00 0.00 C ATOM 1259 CD ARG C 83 70.580 -7.514 0.050 1.00 0.00 C ATOM 1260 NE ARG C 83 71.052 -8.928 -0.017 1.00 0.00 N ATOM 1261 CZ ARG C 83 72.045 -9.250 -0.791 1.00 0.00 C ATOM 1262 NH1 ARG C 83 73.273 -9.121 -0.369 1.00 0.00 N1+ ATOM 1263 NH2 ARG C 83 71.810 -9.698 -1.990 1.00 0.00 N ATOM 0 H ARG C 83 67.017 -5.389 2.310 1.00 0.00 H new ATOM 0 HA ARG C 83 68.161 -7.986 2.973 1.00 0.00 H new ATOM 0 HB2 ARG C 83 68.600 -5.588 1.316 1.00 0.00 H new ATOM 0 HB3 ARG C 83 70.105 -6.087 2.062 1.00 0.00 H new ATOM 0 HG2 ARG C 83 69.131 -8.539 1.282 1.00 0.00 H new ATOM 0 HG3 ARG C 83 68.419 -7.526 0.042 1.00 0.00 H new ATOM 0 HD2 ARG C 83 70.476 -7.085 -0.946 1.00 0.00 H new ATOM 0 HD3 ARG C 83 71.286 -6.887 0.595 1.00 0.00 H new ATOM 0 HE ARG C 83 70.594 -9.644 0.547 1.00 0.00 H new ATOM 0 HH11 ARG C 83 73.455 -8.767 0.570 1.00 0.00 H new ATOM 0 HH12 ARG C 83 74.051 -9.374 -0.978 1.00 0.00 H new ATOM 0 HH21 ARG C 83 70.849 -9.795 -2.319 1.00 0.00 H new ATOM 0 HH22 ARG C 83 72.586 -9.952 -2.601 1.00 0.00 H new ATOM 1277 N SER C 84 69.256 -5.370 4.664 1.00 0.00 N ATOM 1278 CA SER C 84 70.009 -5.014 5.908 1.00 0.00 C ATOM 1279 C SER C 84 69.194 -5.352 7.167 1.00 0.00 C ATOM 1280 O SER C 84 69.758 -5.599 8.215 1.00 0.00 O ATOM 1281 CB SER C 84 70.241 -3.504 5.822 1.00 0.00 C ATOM 1282 OG SER C 84 71.475 -3.174 6.449 1.00 0.00 O ATOM 0 H SER C 84 68.864 -4.577 4.156 1.00 0.00 H new ATOM 0 HA SER C 84 70.941 -5.574 5.980 1.00 0.00 H new ATOM 0 HB2 SER C 84 70.255 -3.187 4.779 1.00 0.00 H new ATOM 0 HB3 SER C 84 69.422 -2.972 6.306 1.00 0.00 H new ATOM 0 HG SER C 84 71.861 -2.384 6.016 1.00 0.00 H new ATOM 1288 N MET C 85 67.880 -5.353 7.076 1.00 0.00 N ATOM 1289 CA MET C 85 67.035 -5.664 8.279 1.00 0.00 C ATOM 1290 C MET C 85 67.553 -6.920 9.007 1.00 0.00 C ATOM 1291 O MET C 85 67.908 -6.865 10.167 1.00 0.00 O ATOM 1292 CB MET C 85 65.620 -5.900 7.734 1.00 0.00 C ATOM 1293 CG MET C 85 64.841 -4.579 7.722 1.00 0.00 C ATOM 1294 SD MET C 85 63.080 -4.908 7.982 1.00 0.00 S ATOM 1295 CE MET C 85 62.462 -4.045 6.515 1.00 0.00 C ATOM 0 H MET C 85 67.358 -5.152 6.223 1.00 0.00 H new ATOM 0 HA MET C 85 67.060 -4.853 9.007 1.00 0.00 H new ATOM 0 HB2 MET C 85 65.673 -6.311 6.726 1.00 0.00 H new ATOM 0 HB3 MET C 85 65.101 -6.634 8.351 1.00 0.00 H new ATOM 0 HG2 MET C 85 65.216 -3.917 8.502 1.00 0.00 H new ATOM 0 HG3 MET C 85 64.989 -4.067 6.771 1.00 0.00 H new ATOM 0 HE1 MET C 85 61.641 -4.613 6.077 1.00 0.00 H new ATOM 0 HE2 MET C 85 62.107 -3.054 6.798 1.00 0.00 H new ATOM 0 HE3 MET C 85 63.265 -3.947 5.785 1.00 0.00 H new