USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 SER OG : rot -173:sc= 2.3 USER MOD Set 1.2: A 104 THR OG1 : rot 62:sc= 1.24 USER MOD Set 2.1: A 28 SER OG : rot -54:sc= 0.846 USER MOD Set 2.2: A 64 THR OG1 : rot 72:sc= 1.96 USER MOD Set 3.1: A 55 SER OG : rot 180:sc= 0.832 USER MOD Set 3.2: A 85 LYS NZ :NH3+ 159:sc= 0.957 (180deg=0) USER MOD Set 4.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 75 ASN : amide:sc= 0.849 K(o=1.9,f=-3.6) USER MOD Set 4.3: A 77 LYS NZ :NH3+ -132:sc= 1.01 (180deg=0.474) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 1.04 K(o=1,f=-2.4!) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0.495 (180deg=0.464) USER MOD Single : A 20 GLN : amide:sc= 0.243 K(o=0.24,f=-1.3) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.625 K(o=0.62,f=-6.5!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.431 K(o=0.43,f=-3.6!) USER MOD Single : A 37 ASN : amide:sc= -0.0196 K(o=-0.02,f=-1.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 22:sc= 1.16 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= 0.725 (180deg=-0.498) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.164 USER MOD Single : A 53 SER OG : rot 119:sc= 0.202 USER MOD Single : A 56 TYR OH : rot 166:sc= 0 USER MOD Single : A 57 MET CE :methyl -130:sc= -0.28 (180deg=-2.07) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0823) USER MOD Single : A 83 SER OG : rot 160:sc= -0.0681 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 75:sc= 0.572 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00905 USER MOD Single : A 96 HIS : no HD1:sc= -0.149 K(o=-0.15,f=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0061) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0127 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 1.064 -11.162 3.445 1.00 0.00 N ATOM 61 CA LYS A 5 -0.391 -11.023 3.262 1.00 0.00 C ATOM 62 C LYS A 5 -0.830 -9.723 3.913 1.00 0.00 C ATOM 63 O LYS A 5 -0.024 -9.074 4.575 1.00 0.00 O ATOM 64 CB LYS A 5 -1.179 -12.204 3.873 1.00 0.00 C ATOM 65 CG LYS A 5 -1.198 -13.426 2.948 1.00 0.00 C ATOM 66 CD LYS A 5 -2.327 -14.407 3.284 1.00 0.00 C ATOM 67 CE LYS A 5 -2.509 -15.420 2.149 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.342 -16.309 1.978 1.00 0.00 N ATOM 0 HA LYS A 5 -0.604 -11.020 2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.733 -12.480 4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.202 -11.889 4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.307 -13.093 1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.241 -13.943 3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.099 -14.929 4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.256 -13.861 3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.394 -16.025 2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.691 -14.885 1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.522 -16.972 1.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.500 -15.739 1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.181 -16.843 2.856 1.00 0.00 H new ATOM 78 N LEU A 6 -2.088 -9.325 3.740 1.00 0.00 N ATOM 79 CA LEU A 6 -2.639 -8.126 4.349 1.00 0.00 C ATOM 80 C LEU A 6 -3.725 -8.541 5.346 1.00 0.00 C ATOM 81 O LEU A 6 -4.247 -9.660 5.281 1.00 0.00 O ATOM 82 CB LEU A 6 -3.122 -7.101 3.301 1.00 0.00 C ATOM 83 CG LEU A 6 -2.726 -7.266 1.823 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.298 -6.140 0.978 1.00 0.00 C ATOM 85 CD2 LEU A 6 -1.215 -7.344 1.530 1.00 0.00 C ATOM 0 H LEU A 6 -2.758 -9.835 3.165 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.855 -7.600 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.211 -7.082 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.773 -6.120 3.622 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.148 -8.237 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.004 -6.280 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.386 -6.146 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.916 -5.185 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.058 -7.460 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.731 -6.429 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.786 -8.199 2.054 1.00 0.00 H new ATOM 96 N ASP A 7 -4.063 -7.661 6.288 1.00 0.00 N ATOM 97 CA ASP A 7 -4.838 -7.994 7.482 1.00 0.00 C ATOM 98 C ASP A 7 -6.241 -7.423 7.396 1.00 0.00 C ATOM 99 O ASP A 7 -7.192 -8.129 7.712 1.00 0.00 O ATOM 100 CB ASP A 7 -4.092 -7.446 8.710 1.00 0.00 C ATOM 101 CG ASP A 7 -3.550 -8.536 9.641 1.00 0.00 C ATOM 102 OD1 ASP A 7 -3.519 -9.728 9.252 1.00 0.00 O ATOM 103 OD2 ASP A 7 -3.002 -8.175 10.712 1.00 0.00 O ATOM 0 H ASP A 7 -3.800 -6.677 6.241 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.940 -9.076 7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.263 -6.824 8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.765 -6.801 9.274 1.00 0.00 H new ATOM 107 N ILE A 8 -6.342 -6.208 6.853 1.00 0.00 N ATOM 108 CA ILE A 8 -7.556 -5.551 6.389 1.00 0.00 C ATOM 109 C ILE A 8 -8.583 -5.307 7.501 1.00 0.00 C ATOM 110 O ILE A 8 -9.154 -6.210 8.107 1.00 0.00 O ATOM 111 CB ILE A 8 -8.106 -6.263 5.137 1.00 0.00 C ATOM 112 CG1 ILE A 8 -7.069 -6.113 4.001 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.432 -5.612 4.716 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.433 -6.824 2.706 1.00 0.00 C ATOM 0 H ILE A 8 -5.519 -5.621 6.719 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.297 -4.539 6.078 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.283 -7.318 5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.933 -5.052 3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.110 -6.494 4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.820 -6.116 3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.154 -5.698 5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.265 -4.559 4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.647 -6.662 1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.539 -7.892 2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.374 -6.428 2.326 1.00 0.00 H new ATOM 125 N VAL A 9 -8.831 -4.023 7.733 1.00 0.00 N ATOM 126 CA VAL A 9 -9.658 -3.498 8.797 1.00 0.00 C ATOM 127 C VAL A 9 -10.471 -2.355 8.208 1.00 0.00 C ATOM 128 O VAL A 9 -10.018 -1.220 8.125 1.00 0.00 O ATOM 129 CB VAL A 9 -8.773 -3.112 10.001 1.00 0.00 C ATOM 130 CG1 VAL A 9 -9.642 -2.587 11.145 1.00 0.00 C ATOM 131 CG2 VAL A 9 -7.913 -4.276 10.521 1.00 0.00 C ATOM 0 H VAL A 9 -8.436 -3.286 7.149 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.361 -4.232 9.191 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.094 -2.338 9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.008 -2.318 11.990 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.193 -1.708 10.810 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.346 -3.361 11.452 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.315 -3.937 11.367 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.561 -5.093 10.838 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.253 -4.624 9.727 1.00 0.00 H new ATOM 141 N GLU A 10 -11.665 -2.641 7.708 1.00 0.00 N ATOM 142 CA GLU A 10 -12.528 -1.603 7.183 1.00 0.00 C ATOM 143 C GLU A 10 -12.995 -0.705 8.320 1.00 0.00 C ATOM 144 O GLU A 10 -13.713 -1.143 9.222 1.00 0.00 O ATOM 145 CB GLU A 10 -13.698 -2.199 6.404 1.00 0.00 C ATOM 146 CG GLU A 10 -13.304 -2.372 4.930 1.00 0.00 C ATOM 147 CD GLU A 10 -14.489 -2.633 4.004 1.00 0.00 C ATOM 148 OE1 GLU A 10 -15.651 -2.410 4.414 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.228 -3.066 2.855 1.00 0.00 O ATOM 0 H GLU A 10 -12.054 -3.583 7.657 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.965 -0.993 6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.979 -3.162 6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.569 -1.549 6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.783 -1.475 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.600 -3.200 4.846 1.00 0.00 H new ATOM 154 N GLN A 11 -12.586 0.564 8.264 1.00 0.00 N ATOM 155 CA GLN A 11 -13.072 1.603 9.138 1.00 0.00 C ATOM 156 C GLN A 11 -14.446 2.075 8.608 1.00 0.00 C ATOM 157 O GLN A 11 -15.112 1.361 7.850 1.00 0.00 O ATOM 158 CB GLN A 11 -12.055 2.756 9.234 1.00 0.00 C ATOM 159 CG GLN A 11 -12.023 3.355 10.648 1.00 0.00 C ATOM 160 CD GLN A 11 -11.451 4.769 10.654 1.00 0.00 C ATOM 161 OE1 GLN A 11 -10.240 4.959 10.659 1.00 0.00 O ATOM 162 NE2 GLN A 11 -12.300 5.781 10.633 1.00 0.00 N ATOM 0 H GLN A 11 -11.893 0.892 7.591 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.196 1.222 10.152 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.063 2.392 8.968 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.313 3.532 8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.033 3.370 11.059 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.424 2.718 11.299 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.305 5.604 10.629 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.951 6.739 10.621 1.00 0.00 H new ATOM 169 N ASP A 12 -14.867 3.285 8.988 1.00 0.00 N ATOM 170 CA ASP A 12 -16.110 3.934 8.583 1.00 0.00 C ATOM 171 C ASP A 12 -16.127 4.195 7.077 1.00 0.00 C ATOM 172 O ASP A 12 -17.003 3.692 6.376 1.00 0.00 O ATOM 173 CB ASP A 12 -16.311 5.269 9.322 1.00 0.00 C ATOM 174 CG ASP A 12 -16.146 5.142 10.828 1.00 0.00 C ATOM 175 OD1 ASP A 12 -14.968 5.142 11.261 1.00 0.00 O ATOM 176 OD2 ASP A 12 -17.172 5.033 11.532 1.00 0.00 O ATOM 0 H ASP A 12 -14.317 3.867 9.621 1.00 0.00 H new ATOM 0 HA ASP A 12 -16.922 3.255 8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.596 5.999 8.943 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.307 5.654 9.102 1.00 0.00 H new ATOM 180 N ASP A 13 -15.167 4.970 6.561 1.00 0.00 N ATOM 181 CA ASP A 13 -15.089 5.337 5.137 1.00 0.00 C ATOM 182 C ASP A 13 -13.660 5.199 4.585 1.00 0.00 C ATOM 183 O ASP A 13 -13.396 5.456 3.406 1.00 0.00 O ATOM 184 CB ASP A 13 -15.681 6.731 4.904 1.00 0.00 C ATOM 185 CG ASP A 13 -16.231 6.948 3.489 1.00 0.00 C ATOM 186 OD1 ASP A 13 -15.995 6.144 2.557 1.00 0.00 O ATOM 187 OD2 ASP A 13 -16.890 7.990 3.264 1.00 0.00 O ATOM 0 H ASP A 13 -14.413 5.366 7.123 1.00 0.00 H new ATOM 0 HA ASP A 13 -15.696 4.630 4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.482 6.899 5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -14.913 7.478 5.102 1.00 0.00 H new ATOM 191 N LYS A 14 -12.718 4.711 5.403 1.00 0.00 N ATOM 192 CA LYS A 14 -11.420 4.266 4.946 1.00 0.00 C ATOM 193 C LYS A 14 -11.278 2.777 5.186 1.00 0.00 C ATOM 194 O LYS A 14 -11.711 2.267 6.217 1.00 0.00 O ATOM 195 CB LYS A 14 -10.335 5.149 5.572 1.00 0.00 C ATOM 196 CG LYS A 14 -10.104 4.924 7.074 1.00 0.00 C ATOM 197 CD LYS A 14 -9.072 5.891 7.656 1.00 0.00 C ATOM 198 CE LYS A 14 -9.647 7.303 7.725 1.00 0.00 C ATOM 199 NZ LYS A 14 -8.625 8.336 7.999 1.00 0.00 N ATOM 0 H LYS A 14 -12.850 4.618 6.410 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.303 4.387 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.397 4.975 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.601 6.194 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.048 5.041 7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.771 3.899 7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.777 5.562 8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.173 5.887 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.143 7.533 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.409 7.340 8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.041 9.280 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.288 8.240 8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.826 8.216 7.345 1.00 0.00 H new ATOM 209 N ALA A 15 -10.763 2.062 4.196 1.00 0.00 N ATOM 210 CA ALA A 15 -10.396 0.656 4.384 1.00 0.00 C ATOM 211 C ALA A 15 -8.951 0.594 4.880 1.00 0.00 C ATOM 212 O ALA A 15 -8.059 0.922 4.100 1.00 0.00 O ATOM 213 CB ALA A 15 -10.589 -0.151 3.093 1.00 0.00 C ATOM 0 H ALA A 15 -10.589 2.424 3.259 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.052 0.203 5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.308 -1.189 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.634 -0.105 2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.962 0.267 2.305 1.00 0.00 H new ATOM 219 N ILE A 16 -8.702 0.208 6.140 1.00 0.00 N ATOM 220 CA ILE A 16 -7.334 0.146 6.673 1.00 0.00 C ATOM 221 C ILE A 16 -6.702 -1.192 6.244 1.00 0.00 C ATOM 222 O ILE A 16 -6.887 -2.224 6.891 1.00 0.00 O ATOM 223 CB ILE A 16 -7.339 0.376 8.207 1.00 0.00 C ATOM 224 CG1 ILE A 16 -7.999 1.724 8.582 1.00 0.00 C ATOM 225 CG2 ILE A 16 -5.935 0.303 8.812 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.392 1.810 10.058 1.00 0.00 C ATOM 0 H ILE A 16 -9.426 -0.064 6.805 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.716 0.945 6.263 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.932 -0.435 8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.311 2.536 8.348 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.887 1.871 7.967 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.993 0.471 9.887 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.507 -0.681 8.621 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.304 1.067 8.359 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.849 2.779 10.257 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.104 1.018 10.292 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.503 1.694 10.678 1.00 0.00 H new ATOM 237 N VAL A 17 -5.992 -1.227 5.117 1.00 0.00 N ATOM 238 CA VAL A 17 -5.310 -2.419 4.622 1.00 0.00 C ATOM 239 C VAL A 17 -3.936 -2.476 5.260 1.00 0.00 C ATOM 240 O VAL A 17 -2.936 -1.951 4.770 1.00 0.00 O ATOM 241 CB VAL A 17 -5.246 -2.434 3.086 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.589 -3.744 2.611 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.651 -2.307 2.483 1.00 0.00 C ATOM 0 H VAL A 17 -5.873 -0.413 4.513 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.869 -3.313 4.900 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.651 -1.584 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.544 -3.754 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.580 -3.813 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.178 -4.593 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.583 -2.320 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.267 -3.141 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.103 -1.369 2.807 1.00 0.00 H new ATOM 253 N ARG A 18 -3.891 -3.141 6.400 1.00 0.00 N ATOM 254 CA ARG A 18 -2.618 -3.350 7.064 1.00 0.00 C ATOM 255 C ARG A 18 -1.845 -4.394 6.280 1.00 0.00 C ATOM 256 O ARG A 18 -2.362 -5.494 6.107 1.00 0.00 O ATOM 257 CB ARG A 18 -2.769 -3.762 8.523 1.00 0.00 C ATOM 258 CG ARG A 18 -3.878 -3.015 9.253 1.00 0.00 C ATOM 259 CD ARG A 18 -3.797 -3.262 10.749 1.00 0.00 C ATOM 260 NE ARG A 18 -3.810 -4.679 11.145 1.00 0.00 N ATOM 261 CZ ARG A 18 -3.825 -5.092 12.416 1.00 0.00 C ATOM 262 NH1 ARG A 18 -3.934 -4.219 13.411 1.00 0.00 N ATOM 263 NH2 ARG A 18 -3.712 -6.383 12.686 1.00 0.00 N ATOM 0 H ARG A 18 -4.701 -3.538 6.876 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.076 -2.405 7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.970 -4.832 8.571 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.825 -3.591 9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.798 -1.947 9.051 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.849 -3.338 8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.885 -2.802 11.130 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.634 -2.757 11.232 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.807 -5.385 10.409 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.007 -3.222 13.209 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.944 -4.546 14.377 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.614 -7.056 11.926 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.723 -6.704 13.654 1.00 0.00 H new ATOM 274 N VAL A 19 -0.669 -4.077 5.764 1.00 0.00 N ATOM 275 CA VAL A 19 0.190 -5.053 5.106 1.00 0.00 C ATOM 276 C VAL A 19 0.926 -5.840 6.198 1.00 0.00 C ATOM 277 O VAL A 19 1.157 -5.312 7.286 1.00 0.00 O ATOM 278 CB VAL A 19 1.132 -4.263 4.174 1.00 0.00 C ATOM 279 CG1 VAL A 19 2.317 -5.060 3.604 1.00 0.00 C ATOM 280 CG2 VAL A 19 0.334 -3.690 2.996 1.00 0.00 C ATOM 0 H VAL A 19 -0.280 -3.134 5.789 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.353 -5.778 4.500 1.00 0.00 H new ATOM 0 HB VAL A 19 1.559 -3.485 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.916 -4.413 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.934 -5.431 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.943 -5.902 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.003 -3.133 2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.126 -4.505 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.443 -3.024 3.372 1.00 0.00 H new ATOM 290 N GLN A 20 1.348 -7.067 5.909 1.00 0.00 N ATOM 291 CA GLN A 20 2.383 -7.788 6.609 1.00 0.00 C ATOM 292 C GLN A 20 3.387 -8.334 5.623 1.00 0.00 C ATOM 293 O GLN A 20 3.031 -9.122 4.744 1.00 0.00 O ATOM 294 CB GLN A 20 1.834 -8.992 7.348 1.00 0.00 C ATOM 295 CG GLN A 20 0.810 -8.571 8.388 1.00 0.00 C ATOM 296 CD GLN A 20 0.463 -9.731 9.325 1.00 0.00 C ATOM 297 OE1 GLN A 20 1.041 -10.814 9.256 1.00 0.00 O ATOM 298 NE2 GLN A 20 -0.543 -9.593 10.163 1.00 0.00 N ATOM 0 H GLN A 20 0.951 -7.605 5.139 1.00 0.00 H new ATOM 0 HA GLN A 20 2.829 -7.082 7.309 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.375 -9.681 6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.650 -9.529 7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.200 -7.735 8.969 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.094 -8.219 7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.032 -8.700 10.231 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.834 -10.379 10.745 1.00 0.00 H new ATOM 305 N GLY A 21 4.641 -8.023 5.880 1.00 0.00 N ATOM 306 CA GLY A 21 5.777 -8.443 5.106 1.00 0.00 C ATOM 307 C GLY A 21 6.480 -7.199 4.601 1.00 0.00 C ATOM 308 O GLY A 21 5.961 -6.088 4.711 1.00 0.00 O ATOM 0 H GLY A 21 4.902 -7.441 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.453 -9.043 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.460 -9.068 4.271 1.00 0.00 H new ATOM 312 N ASP A 22 7.659 -7.440 4.058 1.00 0.00 N ATOM 313 CA ASP A 22 8.506 -6.574 3.247 1.00 0.00 C ATOM 314 C ASP A 22 7.851 -6.363 1.877 1.00 0.00 C ATOM 315 O ASP A 22 6.666 -6.652 1.713 1.00 0.00 O ATOM 316 CB ASP A 22 9.909 -7.200 3.230 1.00 0.00 C ATOM 317 CG ASP A 22 10.452 -7.161 4.664 1.00 0.00 C ATOM 318 OD1 ASP A 22 10.738 -6.049 5.136 1.00 0.00 O ATOM 319 OD2 ASP A 22 10.427 -8.204 5.373 1.00 0.00 O ATOM 0 H ASP A 22 8.099 -8.351 4.188 1.00 0.00 H new ATOM 0 HA ASP A 22 8.617 -5.568 3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.866 -8.226 2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.566 -6.649 2.557 1.00 0.00 H new ATOM 323 N ILE A 23 8.539 -5.771 0.900 1.00 0.00 N ATOM 324 CA ILE A 23 7.961 -5.509 -0.401 1.00 0.00 C ATOM 325 C ILE A 23 9.016 -5.662 -1.514 1.00 0.00 C ATOM 326 O ILE A 23 9.775 -4.744 -1.822 1.00 0.00 O ATOM 327 CB ILE A 23 7.204 -4.163 -0.334 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.589 -3.823 -1.687 1.00 0.00 C ATOM 329 CG2 ILE A 23 8.060 -2.958 0.008 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.349 -4.683 -1.911 1.00 0.00 C ATOM 0 H ILE A 23 9.507 -5.464 0.996 1.00 0.00 H new ATOM 0 HA ILE A 23 7.213 -6.252 -0.678 1.00 0.00 H new ATOM 0 HB ILE A 23 6.473 -4.327 0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.323 -2.766 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.314 -3.997 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.437 -2.064 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.520 -3.104 0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.838 -2.839 -0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.908 -4.441 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.629 -5.736 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.623 -4.487 -1.122 1.00 0.00 H new ATOM 341 N ASP A 24 9.057 -6.823 -2.153 1.00 0.00 N ATOM 342 CA ASP A 24 9.993 -7.158 -3.219 1.00 0.00 C ATOM 343 C ASP A 24 9.298 -7.823 -4.403 1.00 0.00 C ATOM 344 O ASP A 24 8.073 -7.946 -4.431 1.00 0.00 O ATOM 345 CB ASP A 24 11.128 -8.033 -2.677 1.00 0.00 C ATOM 346 CG ASP A 24 10.696 -9.416 -2.193 1.00 0.00 C ATOM 347 OD1 ASP A 24 9.743 -9.988 -2.755 1.00 0.00 O ATOM 348 OD2 ASP A 24 11.366 -9.939 -1.271 1.00 0.00 O ATOM 0 H ASP A 24 8.416 -7.586 -1.936 1.00 0.00 H new ATOM 0 HA ASP A 24 10.421 -6.226 -3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.878 -8.155 -3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.609 -7.509 -1.852 1.00 0.00 H new ATOM 352 N ALA A 25 10.107 -8.244 -5.381 1.00 0.00 N ATOM 353 CA ALA A 25 9.709 -8.850 -6.640 1.00 0.00 C ATOM 354 C ALA A 25 8.848 -10.115 -6.505 1.00 0.00 C ATOM 355 O ALA A 25 8.209 -10.490 -7.491 1.00 0.00 O ATOM 356 CB ALA A 25 10.975 -9.141 -7.451 1.00 0.00 C ATOM 0 H ALA A 25 11.121 -8.162 -5.302 1.00 0.00 H new ATOM 0 HA ALA A 25 9.062 -8.136 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.701 -9.597 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.511 -8.210 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.616 -9.823 -6.893 1.00 0.00 H new ATOM 362 N TYR A 26 8.814 -10.776 -5.346 1.00 0.00 N ATOM 363 CA TYR A 26 7.968 -11.941 -5.084 1.00 0.00 C ATOM 364 C TYR A 26 6.609 -11.487 -4.579 1.00 0.00 C ATOM 365 O TYR A 26 5.572 -12.077 -4.888 1.00 0.00 O ATOM 366 CB TYR A 26 8.644 -12.823 -4.021 1.00 0.00 C ATOM 367 CG TYR A 26 10.115 -13.050 -4.343 1.00 0.00 C ATOM 368 CD1 TYR A 26 10.464 -13.563 -5.608 1.00 0.00 C ATOM 369 CD2 TYR A 26 11.125 -12.576 -3.486 1.00 0.00 C ATOM 370 CE1 TYR A 26 11.798 -13.544 -6.041 1.00 0.00 C ATOM 371 CE2 TYR A 26 12.462 -12.531 -3.916 1.00 0.00 C ATOM 372 CZ TYR A 26 12.794 -13.000 -5.205 1.00 0.00 C ATOM 373 OH TYR A 26 14.078 -12.980 -5.642 1.00 0.00 O ATOM 0 H TYR A 26 9.387 -10.510 -4.546 1.00 0.00 H new ATOM 0 HA TYR A 26 7.834 -12.509 -6.004 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.552 -12.351 -3.043 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.130 -13.783 -3.962 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.698 -13.974 -6.249 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.871 -12.244 -2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.060 -13.944 -7.009 1.00 0.00 H new ATOM 0 HE2 TYR A 26 13.230 -12.140 -3.265 1.00 0.00 H new ATOM 0 HH TYR A 26 14.650 -12.574 -4.958 1.00 0.00 H new ATOM 382 N ASN A 27 6.600 -10.382 -3.843 1.00 0.00 N ATOM 383 CA ASN A 27 5.411 -9.776 -3.297 1.00 0.00 C ATOM 384 C ASN A 27 4.799 -8.917 -4.400 1.00 0.00 C ATOM 385 O ASN A 27 3.615 -8.580 -4.326 1.00 0.00 O ATOM 386 CB ASN A 27 5.775 -8.918 -2.084 1.00 0.00 C ATOM 387 CG ASN A 27 6.832 -9.507 -1.142 1.00 0.00 C ATOM 388 OD1 ASN A 27 7.678 -8.780 -0.640 1.00 0.00 O ATOM 389 ND2 ASN A 27 6.857 -10.801 -0.877 1.00 0.00 N ATOM 0 H ASN A 27 7.452 -9.874 -3.607 1.00 0.00 H new ATOM 0 HA ASN A 27 4.700 -10.532 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.131 -7.952 -2.440 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.868 -8.731 -1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.575 -11.182 -0.261 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.158 -11.419 -1.288 1.00 0.00 H new ATOM 395 N SER A 28 5.572 -8.618 -5.456 1.00 0.00 N ATOM 396 CA SER A 28 5.107 -7.986 -6.670 1.00 0.00 C ATOM 397 C SER A 28 4.002 -8.753 -7.414 1.00 0.00 C ATOM 398 O SER A 28 3.505 -8.254 -8.432 1.00 0.00 O ATOM 399 CB SER A 28 6.263 -7.652 -7.619 1.00 0.00 C ATOM 400 OG SER A 28 7.154 -6.734 -7.028 1.00 0.00 O ATOM 0 H SER A 28 6.571 -8.823 -5.474 1.00 0.00 H new ATOM 0 HA SER A 28 4.646 -7.059 -6.330 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.797 -8.565 -7.882 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.868 -7.236 -8.546 1.00 0.00 H new ATOM 0 HG SER A 28 6.657 -5.947 -6.721 1.00 0.00 H new ATOM 405 N SER A 29 3.581 -9.930 -6.944 1.00 0.00 N ATOM 406 CA SER A 29 2.254 -10.425 -7.272 1.00 0.00 C ATOM 407 C SER A 29 1.411 -10.646 -6.046 1.00 0.00 C ATOM 408 O SER A 29 0.221 -10.391 -6.124 1.00 0.00 O ATOM 409 CB SER A 29 2.314 -11.651 -8.163 1.00 0.00 C ATOM 410 OG SER A 29 2.790 -12.809 -7.499 1.00 0.00 O ATOM 0 H SER A 29 4.133 -10.544 -6.346 1.00 0.00 H new ATOM 0 HA SER A 29 1.756 -9.644 -7.847 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.318 -11.852 -8.559 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.959 -11.440 -9.016 1.00 0.00 H new ATOM 0 HG SER A 29 2.803 -13.563 -8.125 1.00 0.00 H new ATOM 415 N GLU A 30 1.983 -11.081 -4.929 1.00 0.00 N ATOM 416 CA GLU A 30 1.172 -11.461 -3.793 1.00 0.00 C ATOM 417 C GLU A 30 0.410 -10.240 -3.264 1.00 0.00 C ATOM 418 O GLU A 30 -0.817 -10.248 -3.285 1.00 0.00 O ATOM 419 CB GLU A 30 2.065 -12.088 -2.718 1.00 0.00 C ATOM 420 CG GLU A 30 1.515 -13.406 -2.141 1.00 0.00 C ATOM 421 CD GLU A 30 1.438 -14.601 -3.109 1.00 0.00 C ATOM 422 OE1 GLU A 30 2.273 -14.728 -4.030 1.00 0.00 O ATOM 423 OE2 GLU A 30 0.611 -15.516 -2.844 1.00 0.00 O ATOM 0 H GLU A 30 2.989 -11.176 -4.792 1.00 0.00 H new ATOM 0 HA GLU A 30 0.432 -12.204 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.052 -12.272 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.195 -11.373 -1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.137 -13.693 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.514 -13.217 -1.752 1.00 0.00 H new ATOM 428 N LEU A 31 1.099 -9.160 -2.862 1.00 0.00 N ATOM 429 CA LEU A 31 0.459 -7.926 -2.427 1.00 0.00 C ATOM 430 C LEU A 31 -0.475 -7.453 -3.528 1.00 0.00 C ATOM 431 O LEU A 31 -1.642 -7.145 -3.279 1.00 0.00 O ATOM 432 CB LEU A 31 1.540 -6.894 -2.061 1.00 0.00 C ATOM 433 CG LEU A 31 0.940 -5.528 -1.684 1.00 0.00 C ATOM 434 CD1 LEU A 31 1.932 -4.696 -0.872 1.00 0.00 C ATOM 435 CD2 LEU A 31 0.532 -4.730 -2.919 1.00 0.00 C ATOM 0 H LEU A 31 2.118 -9.126 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.142 -8.080 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.132 -7.271 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.220 -6.769 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 31 0.054 -5.734 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.481 -3.736 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.189 -5.228 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.834 -4.529 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.113 -3.772 -2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.406 -4.559 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.215 -5.289 -3.483 1.00 0.00 H new ATOM 446 N LYS A 32 0.062 -7.382 -4.746 1.00 0.00 N ATOM 447 CA LYS A 32 -0.648 -6.856 -5.900 1.00 0.00 C ATOM 448 C LYS A 32 -1.992 -7.552 -6.060 1.00 0.00 C ATOM 449 O LYS A 32 -2.983 -6.879 -6.341 1.00 0.00 O ATOM 450 CB LYS A 32 0.230 -7.016 -7.166 1.00 0.00 C ATOM 451 CG LYS A 32 -0.069 -5.873 -8.155 1.00 0.00 C ATOM 452 CD LYS A 32 0.892 -5.801 -9.356 1.00 0.00 C ATOM 453 CE LYS A 32 0.217 -6.285 -10.645 1.00 0.00 C ATOM 454 NZ LYS A 32 1.093 -6.121 -11.825 1.00 0.00 N ATOM 0 H LYS A 32 1.011 -7.692 -4.956 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.846 -5.794 -5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.285 -7.006 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.033 -7.979 -7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.087 -5.988 -8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.031 -4.925 -7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.236 -4.775 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.774 -6.410 -9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.056 -7.335 -10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.708 -5.730 -10.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.598 -6.460 -12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.333 -5.116 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.965 -6.671 -11.689 1.00 0.00 H new ATOM 464 N GLU A 33 -2.033 -8.872 -5.879 1.00 0.00 N ATOM 465 CA GLU A 33 -3.215 -9.669 -6.110 1.00 0.00 C ATOM 466 C GLU A 33 -4.208 -9.492 -4.977 1.00 0.00 C ATOM 467 O GLU A 33 -5.398 -9.365 -5.247 1.00 0.00 O ATOM 468 CB GLU A 33 -2.877 -11.127 -6.405 1.00 0.00 C ATOM 469 CG GLU A 33 -2.739 -12.079 -5.225 1.00 0.00 C ATOM 470 CD GLU A 33 -2.948 -13.509 -5.706 1.00 0.00 C ATOM 471 OE1 GLU A 33 -2.168 -13.983 -6.567 1.00 0.00 O ATOM 472 OE2 GLU A 33 -3.968 -14.124 -5.324 1.00 0.00 O ATOM 0 H GLU A 33 -1.230 -9.415 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.703 -9.305 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.649 -11.522 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.940 -11.147 -6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.753 -11.976 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.470 -11.831 -4.455 1.00 0.00 H new ATOM 477 N GLN A 34 -3.718 -9.420 -3.733 1.00 0.00 N ATOM 478 CA GLN A 34 -4.556 -9.145 -2.568 1.00 0.00 C ATOM 479 C GLN A 34 -5.381 -7.899 -2.859 1.00 0.00 C ATOM 480 O GLN A 34 -6.571 -7.874 -2.586 1.00 0.00 O ATOM 481 CB GLN A 34 -3.728 -8.888 -1.293 1.00 0.00 C ATOM 482 CG GLN A 34 -2.775 -10.001 -0.858 1.00 0.00 C ATOM 483 CD GLN A 34 -3.345 -10.927 0.214 1.00 0.00 C ATOM 484 OE1 GLN A 34 -3.060 -10.763 1.398 1.00 0.00 O ATOM 485 NE2 GLN A 34 -4.131 -11.918 -0.174 1.00 0.00 N ATOM 0 H GLN A 34 -2.731 -9.551 -3.510 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.181 -10.020 -2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.144 -7.980 -1.443 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.418 -8.691 -0.473 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.506 -10.596 -1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.856 -9.551 -0.483 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.354 -12.035 -1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.514 -12.565 0.515 1.00 0.00 H new ATOM 492 N LEU A 35 -4.754 -6.867 -3.429 1.00 0.00 N ATOM 493 CA LEU A 35 -5.385 -5.575 -3.620 1.00 0.00 C ATOM 494 C LEU A 35 -6.202 -5.497 -4.886 1.00 0.00 C ATOM 495 O LEU A 35 -7.313 -5.020 -4.771 1.00 0.00 O ATOM 496 CB LEU A 35 -4.347 -4.474 -3.636 1.00 0.00 C ATOM 497 CG LEU A 35 -3.721 -4.264 -2.254 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.581 -3.263 -2.318 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.759 -3.781 -1.225 1.00 0.00 C ATOM 0 H LEU A 35 -3.793 -6.912 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.065 -5.444 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.566 -4.721 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.807 -3.545 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.336 -5.232 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.155 -3.133 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.812 -3.631 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.957 -2.306 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.276 -3.644 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.185 -2.834 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.552 -4.523 -1.132 1.00 0.00 H new ATOM 510 N ARG A 36 -5.751 -5.926 -6.073 1.00 0.00 N ATOM 511 CA ARG A 36 -6.647 -5.915 -7.242 1.00 0.00 C ATOM 512 C ARG A 36 -7.923 -6.698 -6.956 1.00 0.00 C ATOM 513 O ARG A 36 -8.974 -6.342 -7.483 1.00 0.00 O ATOM 514 CB ARG A 36 -5.993 -6.438 -8.531 1.00 0.00 C ATOM 515 CG ARG A 36 -5.166 -7.725 -8.391 1.00 0.00 C ATOM 516 CD ARG A 36 -5.420 -8.821 -9.429 1.00 0.00 C ATOM 517 NE ARG A 36 -6.705 -9.498 -9.201 1.00 0.00 N ATOM 518 CZ ARG A 36 -6.915 -10.737 -8.732 1.00 0.00 C ATOM 519 NH1 ARG A 36 -5.918 -11.592 -8.522 1.00 0.00 N ATOM 520 NH2 ARG A 36 -8.151 -11.138 -8.471 1.00 0.00 N ATOM 0 H ARG A 36 -4.808 -6.273 -6.249 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.886 -4.866 -7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.777 -6.612 -9.268 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.347 -5.656 -8.931 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.110 -7.457 -8.430 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.352 -8.143 -7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.410 -8.385 -10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.612 -9.552 -9.392 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.541 -8.959 -9.428 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.957 -11.313 -8.719 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.115 -12.527 -8.164 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.936 -10.506 -8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.317 -12.079 -8.114 1.00 0.00 H new ATOM 531 N ASN A 37 -7.827 -7.731 -6.120 1.00 0.00 N ATOM 532 CA ASN A 37 -8.947 -8.502 -5.648 1.00 0.00 C ATOM 533 C ASN A 37 -9.742 -7.676 -4.641 1.00 0.00 C ATOM 534 O ASN A 37 -10.950 -7.488 -4.800 1.00 0.00 O ATOM 535 CB ASN A 37 -8.376 -9.805 -5.051 1.00 0.00 C ATOM 536 CG ASN A 37 -9.414 -10.867 -4.752 1.00 0.00 C ATOM 537 OD1 ASN A 37 -10.601 -10.607 -4.618 1.00 0.00 O ATOM 538 ND2 ASN A 37 -8.968 -12.104 -4.647 1.00 0.00 N ATOM 0 H ASN A 37 -6.934 -8.054 -5.748 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.643 -8.760 -6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.643 -10.217 -5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.844 -9.565 -4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.618 -12.865 -4.450 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.974 -12.299 -4.762 1.00 0.00 H new ATOM 544 N PHE A 38 -9.074 -7.155 -3.612 1.00 0.00 N ATOM 545 CA PHE A 38 -9.740 -6.545 -2.480 1.00 0.00 C ATOM 546 C PHE A 38 -10.396 -5.238 -2.883 1.00 0.00 C ATOM 547 O PHE A 38 -11.523 -5.017 -2.475 1.00 0.00 O ATOM 548 CB PHE A 38 -8.778 -6.313 -1.318 1.00 0.00 C ATOM 549 CG PHE A 38 -9.355 -5.468 -0.207 1.00 0.00 C ATOM 550 CD1 PHE A 38 -10.389 -5.975 0.601 1.00 0.00 C ATOM 551 CD2 PHE A 38 -8.881 -4.160 -0.010 1.00 0.00 C ATOM 552 CE1 PHE A 38 -10.923 -5.184 1.630 1.00 0.00 C ATOM 553 CE2 PHE A 38 -9.422 -3.371 1.013 1.00 0.00 C ATOM 554 CZ PHE A 38 -10.423 -3.891 1.854 1.00 0.00 C ATOM 0 H PHE A 38 -8.056 -7.148 -3.547 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.511 -7.239 -2.145 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.478 -7.278 -0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.876 -5.832 -1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.771 -6.971 0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.102 -3.764 -0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.719 -5.570 2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.070 -2.360 1.157 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.806 -3.297 2.670 1.00 0.00 H new ATOM 563 N ILE A 39 -9.752 -4.398 -3.698 1.00 0.00 N ATOM 564 CA ILE A 39 -10.390 -3.222 -4.305 1.00 0.00 C ATOM 565 C ILE A 39 -11.781 -3.523 -4.888 1.00 0.00 C ATOM 566 O ILE A 39 -12.633 -2.634 -4.832 1.00 0.00 O ATOM 567 CB ILE A 39 -9.440 -2.642 -5.370 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.560 -1.495 -4.814 1.00 0.00 C ATOM 569 CG2 ILE A 39 -10.097 -2.105 -6.653 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.441 -1.936 -3.878 1.00 0.00 C ATOM 0 H ILE A 39 -8.772 -4.513 -3.957 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.565 -2.484 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.854 -3.521 -5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.120 -0.956 -5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.201 -0.791 -4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.327 -1.724 -7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.643 -2.909 -7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.787 -1.301 -6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.882 -1.063 -3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.868 -2.447 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.771 -2.614 -4.406 1.00 0.00 H new ATOM 581 N SER A 40 -12.018 -4.711 -5.457 1.00 0.00 N ATOM 582 CA SER A 40 -13.344 -5.044 -5.956 1.00 0.00 C ATOM 583 C SER A 40 -14.310 -5.288 -4.794 1.00 0.00 C ATOM 584 O SER A 40 -15.424 -4.769 -4.789 1.00 0.00 O ATOM 585 CB SER A 40 -13.254 -6.246 -6.908 1.00 0.00 C ATOM 586 OG SER A 40 -13.555 -5.817 -8.216 1.00 0.00 O ATOM 0 H SER A 40 -11.318 -5.442 -5.579 1.00 0.00 H new ATOM 0 HA SER A 40 -13.743 -4.204 -6.524 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.254 -6.679 -6.874 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.950 -7.025 -6.598 1.00 0.00 H new ATOM 0 HG SER A 40 -13.498 -6.578 -8.831 1.00 0.00 H new ATOM 591 N THR A 41 -13.894 -6.067 -3.798 1.00 0.00 N ATOM 592 CA THR A 41 -14.710 -6.351 -2.630 1.00 0.00 C ATOM 593 C THR A 41 -14.964 -5.098 -1.795 1.00 0.00 C ATOM 594 O THR A 41 -16.051 -4.976 -1.230 1.00 0.00 O ATOM 595 CB THR A 41 -14.032 -7.476 -1.829 1.00 0.00 C ATOM 596 OG1 THR A 41 -14.540 -8.706 -2.304 1.00 0.00 O ATOM 597 CG2 THR A 41 -14.214 -7.447 -0.310 1.00 0.00 C ATOM 0 H THR A 41 -12.979 -6.518 -3.782 1.00 0.00 H new ATOM 0 HA THR A 41 -15.699 -6.688 -2.942 1.00 0.00 H new ATOM 0 HB THR A 41 -12.963 -7.336 -1.987 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.123 -9.444 -1.812 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.688 -8.292 0.136 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.808 -6.517 0.087 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.275 -7.512 -0.069 1.00 0.00 H new ATOM 605 N THR A 42 -13.973 -4.219 -1.621 1.00 0.00 N ATOM 606 CA THR A 42 -13.984 -3.354 -0.449 1.00 0.00 C ATOM 607 C THR A 42 -15.161 -2.382 -0.466 1.00 0.00 C ATOM 608 O THR A 42 -15.441 -1.723 -1.466 1.00 0.00 O ATOM 609 CB THR A 42 -12.634 -2.661 -0.273 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.619 -1.916 0.936 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.250 -1.760 -1.444 1.00 0.00 C ATOM 0 H THR A 42 -13.183 -4.092 -2.253 1.00 0.00 H new ATOM 0 HA THR A 42 -14.135 -3.978 0.432 1.00 0.00 H new ATOM 0 HB THR A 42 -11.888 -3.455 -0.236 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.295 -2.274 1.549 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.280 -1.302 -1.248 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.193 -2.354 -2.356 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.002 -0.980 -1.565 1.00 0.00 H new ATOM 619 N SER A 43 -15.812 -2.284 0.686 1.00 0.00 N ATOM 620 CA SER A 43 -16.946 -1.446 1.006 1.00 0.00 C ATOM 621 C SER A 43 -16.525 -0.028 1.395 1.00 0.00 C ATOM 622 O SER A 43 -17.384 0.745 1.832 1.00 0.00 O ATOM 623 CB SER A 43 -17.686 -2.129 2.167 1.00 0.00 C ATOM 624 OG SER A 43 -18.934 -2.631 1.735 1.00 0.00 O ATOM 0 H SER A 43 -15.528 -2.844 1.490 1.00 0.00 H new ATOM 0 HA SER A 43 -17.587 -1.339 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.079 -2.942 2.564 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.836 -1.417 2.979 1.00 0.00 H new ATOM 0 HG SER A 43 -19.390 -3.064 2.487 1.00 0.00 H new ATOM 629 N LYS A 44 -15.241 0.345 1.316 1.00 0.00 N ATOM 630 CA LYS A 44 -14.808 1.722 1.547 1.00 0.00 C ATOM 631 C LYS A 44 -13.994 2.165 0.373 1.00 0.00 C ATOM 632 O LYS A 44 -13.373 1.372 -0.327 1.00 0.00 O ATOM 633 CB LYS A 44 -14.014 1.937 2.846 1.00 0.00 C ATOM 634 CG LYS A 44 -14.944 2.097 4.050 1.00 0.00 C ATOM 635 CD LYS A 44 -15.293 0.735 4.596 1.00 0.00 C ATOM 636 CE LYS A 44 -16.615 0.757 5.350 1.00 0.00 C ATOM 637 NZ LYS A 44 -16.793 -0.477 6.123 1.00 0.00 N ATOM 0 H LYS A 44 -14.481 -0.297 1.092 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.712 2.320 1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.346 1.091 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.387 2.823 2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.460 2.697 4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.850 2.627 3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.352 0.018 3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.499 0.394 5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.644 1.618 6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.439 0.873 4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.808 -0.657 6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.366 -1.274 5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.331 -0.376 7.049 1.00 0.00 H new ATOM 647 N LYS A 45 -13.987 3.474 0.204 1.00 0.00 N ATOM 648 CA LYS A 45 -13.259 4.101 -0.879 1.00 0.00 C ATOM 649 C LYS A 45 -11.827 4.356 -0.461 1.00 0.00 C ATOM 650 O LYS A 45 -10.942 4.103 -1.266 1.00 0.00 O ATOM 651 CB LYS A 45 -13.997 5.354 -1.350 1.00 0.00 C ATOM 652 CG LYS A 45 -15.294 4.933 -2.055 1.00 0.00 C ATOM 653 CD LYS A 45 -16.408 5.977 -1.979 1.00 0.00 C ATOM 654 CE LYS A 45 -16.018 7.314 -2.605 1.00 0.00 C ATOM 655 NZ LYS A 45 -16.893 8.396 -2.120 1.00 0.00 N ATOM 0 H LYS A 45 -14.483 4.128 0.810 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.212 3.434 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.222 6.000 -0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.368 5.929 -2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.075 4.725 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.651 4.003 -1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.294 5.591 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.678 6.136 -0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.980 7.544 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.085 7.245 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.609 9.295 -2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.879 8.184 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.809 8.474 -1.086 1.00 0.00 H new ATOM 665 N LYS A 46 -11.563 4.832 0.760 1.00 0.00 N ATOM 666 CA LYS A 46 -10.217 5.266 1.122 1.00 0.00 C ATOM 667 C LYS A 46 -9.316 4.093 1.469 1.00 0.00 C ATOM 668 O LYS A 46 -9.283 3.709 2.628 1.00 0.00 O ATOM 669 CB LYS A 46 -10.296 6.424 2.135 1.00 0.00 C ATOM 670 CG LYS A 46 -8.996 7.212 2.313 1.00 0.00 C ATOM 671 CD LYS A 46 -9.246 8.498 3.107 1.00 0.00 C ATOM 672 CE LYS A 46 -9.761 9.612 2.192 1.00 0.00 C ATOM 673 NZ LYS A 46 -10.500 10.642 2.938 1.00 0.00 N ATOM 0 H LYS A 46 -12.256 4.925 1.503 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.704 5.695 0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.081 7.112 1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.596 6.022 3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.260 6.597 2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.577 7.457 1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.971 8.307 3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.323 8.817 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.920 10.073 1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.409 9.183 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.831 11.377 2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.318 10.208 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.875 11.071 3.650 1.00 0.00 H new ATOM 683 N ILE A 47 -8.651 3.466 0.490 1.00 0.00 N ATOM 684 CA ILE A 47 -7.846 2.275 0.742 1.00 0.00 C ATOM 685 C ILE A 47 -6.517 2.751 1.317 1.00 0.00 C ATOM 686 O ILE A 47 -5.624 3.195 0.590 1.00 0.00 O ATOM 687 CB ILE A 47 -7.687 1.391 -0.517 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.970 1.241 -1.361 1.00 0.00 C ATOM 689 CG2 ILE A 47 -7.201 -0.004 -0.088 1.00 0.00 C ATOM 690 CD1 ILE A 47 -10.228 0.835 -0.591 1.00 0.00 C ATOM 0 H ILE A 47 -8.658 3.768 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.343 1.621 1.458 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.963 1.897 -1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.164 2.188 -1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.787 0.499 -2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.086 -0.636 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.242 0.086 0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.931 -0.452 0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.068 0.759 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.065 -0.130 -0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.448 1.586 0.168 1.00 0.00 H new ATOM 701 N VAL A 48 -6.424 2.796 2.635 1.00 0.00 N ATOM 702 CA VAL A 48 -5.206 3.151 3.336 1.00 0.00 C ATOM 703 C VAL A 48 -4.388 1.898 3.422 1.00 0.00 C ATOM 704 O VAL A 48 -4.914 0.800 3.582 1.00 0.00 O ATOM 705 CB VAL A 48 -5.533 3.659 4.747 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.291 4.182 5.469 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.579 4.766 4.681 1.00 0.00 C ATOM 0 H VAL A 48 -7.205 2.583 3.256 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.669 3.944 2.815 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.923 2.811 5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.568 4.531 6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.557 3.381 5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.861 5.007 4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.801 5.117 5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.195 5.594 4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.489 4.380 4.222 1.00 0.00 H new ATOM 717 N LEU A 49 -3.084 2.068 3.389 1.00 0.00 N ATOM 718 CA LEU A 49 -2.152 0.992 3.609 1.00 0.00 C ATOM 719 C LEU A 49 -1.376 1.286 4.881 1.00 0.00 C ATOM 720 O LEU A 49 -1.202 2.442 5.241 1.00 0.00 O ATOM 721 CB LEU A 49 -1.263 0.887 2.385 1.00 0.00 C ATOM 722 CG LEU A 49 -1.781 0.103 1.173 1.00 0.00 C ATOM 723 CD1 LEU A 49 -1.976 -1.386 1.467 1.00 0.00 C ATOM 724 CD2 LEU A 49 -3.048 0.706 0.570 1.00 0.00 C ATOM 0 H LEU A 49 -2.640 2.968 3.206 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.648 0.031 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.035 1.900 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.322 0.434 2.696 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.993 0.188 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.344 -1.888 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.024 -1.826 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.699 -1.506 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.365 0.107 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.839 0.716 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.845 1.726 0.243 1.00 0.00 H new ATOM 735 N ASP A 50 -0.943 0.244 5.575 1.00 0.00 N ATOM 736 CA ASP A 50 -0.125 0.313 6.798 1.00 0.00 C ATOM 737 C ASP A 50 1.133 -0.485 6.525 1.00 0.00 C ATOM 738 O ASP A 50 1.007 -1.672 6.218 1.00 0.00 O ATOM 739 CB ASP A 50 -0.859 -0.349 7.968 1.00 0.00 C ATOM 740 CG ASP A 50 -0.477 0.118 9.373 1.00 0.00 C ATOM 741 OD1 ASP A 50 0.002 1.257 9.554 1.00 0.00 O ATOM 742 OD2 ASP A 50 -0.673 -0.696 10.303 1.00 0.00 O ATOM 0 H ASP A 50 -1.155 -0.715 5.299 1.00 0.00 H new ATOM 0 HA ASP A 50 0.086 1.352 7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.928 -0.186 7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.691 -1.424 7.910 1.00 0.00 H new ATOM 746 N LEU A 51 2.317 0.120 6.563 1.00 0.00 N ATOM 747 CA LEU A 51 3.567 -0.463 6.103 1.00 0.00 C ATOM 748 C LEU A 51 4.547 -0.657 7.262 1.00 0.00 C ATOM 749 O LEU A 51 5.751 -0.790 7.048 1.00 0.00 O ATOM 750 CB LEU A 51 4.147 0.401 4.970 1.00 0.00 C ATOM 751 CG LEU A 51 3.274 0.598 3.715 1.00 0.00 C ATOM 752 CD1 LEU A 51 2.630 -0.684 3.168 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.189 1.664 3.858 1.00 0.00 C ATOM 0 H LEU A 51 2.433 1.065 6.929 1.00 0.00 H new ATOM 0 HA LEU A 51 3.379 -1.459 5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.376 1.385 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.092 -0.043 4.657 1.00 0.00 H new ATOM 0 HG LEU A 51 4.012 0.945 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.036 -0.445 2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.410 -1.396 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.987 -1.122 3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.624 1.735 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.517 1.392 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.651 2.627 4.076 1.00 0.00 H new ATOM 764 N SER A 52 4.036 -0.697 8.483 1.00 0.00 N ATOM 765 CA SER A 52 4.753 -0.947 9.711 1.00 0.00 C ATOM 766 C SER A 52 5.470 -2.308 9.718 1.00 0.00 C ATOM 767 O SER A 52 6.492 -2.423 10.398 1.00 0.00 O ATOM 768 CB SER A 52 3.756 -0.799 10.872 1.00 0.00 C ATOM 769 OG SER A 52 2.408 -1.051 10.498 1.00 0.00 O ATOM 0 H SER A 52 3.041 -0.544 8.646 1.00 0.00 H new ATOM 0 HA SER A 52 5.557 -0.219 9.819 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.037 -1.485 11.671 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.830 0.210 11.277 1.00 0.00 H new ATOM 0 HG SER A 52 1.826 -0.942 11.279 1.00 0.00 H new ATOM 774 N SER A 53 5.004 -3.309 8.961 1.00 0.00 N ATOM 775 CA SER A 53 5.661 -4.610 8.780 1.00 0.00 C ATOM 776 C SER A 53 6.654 -4.624 7.608 1.00 0.00 C ATOM 777 O SER A 53 7.319 -5.641 7.403 1.00 0.00 O ATOM 778 CB SER A 53 4.633 -5.721 8.529 1.00 0.00 C ATOM 779 OG SER A 53 3.489 -5.588 9.347 1.00 0.00 O ATOM 0 H SER A 53 4.130 -3.233 8.440 1.00 0.00 H new ATOM 0 HA SER A 53 6.205 -4.786 9.708 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.332 -5.704 7.482 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.097 -6.690 8.712 1.00 0.00 H new ATOM 0 HG SER A 53 2.695 -5.476 8.783 1.00 0.00 H new ATOM 784 N VAL A 54 6.727 -3.551 6.811 1.00 0.00 N ATOM 785 CA VAL A 54 7.625 -3.479 5.674 1.00 0.00 C ATOM 786 C VAL A 54 8.937 -2.895 6.213 1.00 0.00 C ATOM 787 O VAL A 54 9.027 -1.685 6.456 1.00 0.00 O ATOM 788 CB VAL A 54 7.018 -2.627 4.532 1.00 0.00 C ATOM 789 CG1 VAL A 54 8.016 -2.437 3.388 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.727 -3.173 3.891 1.00 0.00 C ATOM 0 H VAL A 54 6.161 -2.713 6.944 1.00 0.00 H new ATOM 0 HA VAL A 54 7.798 -4.460 5.231 1.00 0.00 H new ATOM 0 HB VAL A 54 6.771 -1.695 5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.559 -1.835 2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.906 -1.931 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.295 -3.410 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.396 -2.494 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.921 -4.156 3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.950 -3.255 4.651 1.00 0.00 H new ATOM 800 N SER A 55 9.944 -3.741 6.415 1.00 0.00 N ATOM 801 CA SER A 55 11.293 -3.349 6.791 1.00 0.00 C ATOM 802 C SER A 55 12.139 -3.004 5.558 1.00 0.00 C ATOM 803 O SER A 55 13.012 -2.140 5.658 1.00 0.00 O ATOM 804 CB SER A 55 11.922 -4.510 7.566 1.00 0.00 C ATOM 805 OG SER A 55 11.891 -4.298 8.964 1.00 0.00 O ATOM 0 H SER A 55 9.836 -4.751 6.317 1.00 0.00 H new ATOM 0 HA SER A 55 11.255 -2.453 7.411 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.392 -5.433 7.328 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.955 -4.643 7.243 1.00 0.00 H new ATOM 0 HG SER A 55 12.300 -5.063 9.420 1.00 0.00 H new ATOM 810 N TYR A 56 11.897 -3.629 4.406 1.00 0.00 N ATOM 811 CA TYR A 56 12.686 -3.513 3.185 1.00 0.00 C ATOM 812 C TYR A 56 11.761 -3.355 1.995 1.00 0.00 C ATOM 813 O TYR A 56 10.659 -3.904 1.995 1.00 0.00 O ATOM 814 CB TYR A 56 13.545 -4.772 3.023 1.00 0.00 C ATOM 815 CG TYR A 56 14.152 -4.962 1.645 1.00 0.00 C ATOM 816 CD1 TYR A 56 15.353 -4.315 1.305 1.00 0.00 C ATOM 817 CD2 TYR A 56 13.476 -5.742 0.685 1.00 0.00 C ATOM 818 CE1 TYR A 56 15.881 -4.447 0.009 1.00 0.00 C ATOM 819 CE2 TYR A 56 14.011 -5.890 -0.606 1.00 0.00 C ATOM 820 CZ TYR A 56 15.215 -5.237 -0.951 1.00 0.00 C ATOM 821 OH TYR A 56 15.730 -5.351 -2.204 1.00 0.00 O ATOM 0 H TYR A 56 11.104 -4.262 4.296 1.00 0.00 H new ATOM 0 HA TYR A 56 13.334 -2.639 3.244 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.350 -4.741 3.757 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.933 -5.643 3.257 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.870 -3.716 2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.546 -6.227 0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.799 -3.942 -0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.501 -6.503 -1.335 1.00 0.00 H new ATOM 0 HH TYR A 56 15.295 -6.095 -2.670 1.00 0.00 H new ATOM 830 N MET A 57 12.244 -2.653 0.967 1.00 0.00 N ATOM 831 CA MET A 57 11.570 -2.497 -0.303 1.00 0.00 C ATOM 832 C MET A 57 12.602 -2.606 -1.416 1.00 0.00 C ATOM 833 O MET A 57 13.606 -1.889 -1.375 1.00 0.00 O ATOM 834 CB MET A 57 10.852 -1.139 -0.335 1.00 0.00 C ATOM 835 CG MET A 57 10.213 -0.790 -1.693 1.00 0.00 C ATOM 836 SD MET A 57 9.302 0.773 -1.759 1.00 0.00 S ATOM 837 CE MET A 57 7.622 0.137 -1.985 1.00 0.00 C ATOM 0 H MET A 57 13.140 -2.168 1.007 1.00 0.00 H new ATOM 0 HA MET A 57 10.821 -3.276 -0.442 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.076 -1.134 0.430 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.565 -0.358 -0.071 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.000 -0.762 -2.447 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.534 -1.596 -1.971 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.148 0.650 -2.822 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.663 -0.933 -2.191 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.042 0.310 -1.078 1.00 0.00 H new ATOM 845 N ASP A 58 12.350 -3.447 -2.421 1.00 0.00 N ATOM 846 CA ASP A 58 13.115 -3.413 -3.669 1.00 0.00 C ATOM 847 C ASP A 58 12.567 -2.316 -4.588 1.00 0.00 C ATOM 848 O ASP A 58 11.397 -1.944 -4.500 1.00 0.00 O ATOM 849 CB ASP A 58 13.059 -4.759 -4.401 1.00 0.00 C ATOM 850 CG ASP A 58 13.925 -4.731 -5.666 1.00 0.00 C ATOM 851 OD1 ASP A 58 15.099 -4.302 -5.592 1.00 0.00 O ATOM 852 OD2 ASP A 58 13.387 -5.025 -6.752 1.00 0.00 O ATOM 0 H ASP A 58 11.622 -4.160 -2.395 1.00 0.00 H new ATOM 0 HA ASP A 58 14.154 -3.203 -3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.403 -5.553 -3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.027 -4.990 -4.667 1.00 0.00 H new ATOM 856 N SER A 59 13.370 -1.894 -5.564 1.00 0.00 N ATOM 857 CA SER A 59 13.002 -1.069 -6.712 1.00 0.00 C ATOM 858 C SER A 59 11.878 -1.640 -7.599 1.00 0.00 C ATOM 859 O SER A 59 11.579 -1.024 -8.621 1.00 0.00 O ATOM 860 CB SER A 59 14.260 -0.718 -7.518 1.00 0.00 C ATOM 861 OG SER A 59 14.964 0.332 -6.868 1.00 0.00 O ATOM 0 H SER A 59 14.361 -2.136 -5.573 1.00 0.00 H new ATOM 0 HA SER A 59 12.561 -0.159 -6.306 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.900 -1.595 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.984 -0.414 -8.528 1.00 0.00 H new ATOM 0 HG SER A 59 15.768 0.554 -7.382 1.00 0.00 H new ATOM 866 N ALA A 60 11.274 -2.788 -7.268 1.00 0.00 N ATOM 867 CA ALA A 60 10.045 -3.252 -7.896 1.00 0.00 C ATOM 868 C ALA A 60 8.838 -3.245 -6.960 1.00 0.00 C ATOM 869 O ALA A 60 7.710 -3.359 -7.447 1.00 0.00 O ATOM 870 CB ALA A 60 10.264 -4.666 -8.440 1.00 0.00 C ATOM 0 H ALA A 60 11.632 -3.420 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 60 9.815 -2.552 -8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.348 -5.020 -8.912 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.069 -4.652 -9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.532 -5.334 -7.621 1.00 0.00 H new ATOM 876 N GLY A 61 9.037 -3.041 -5.654 1.00 0.00 N ATOM 877 CA GLY A 61 7.973 -2.806 -4.697 1.00 0.00 C ATOM 878 C GLY A 61 7.079 -1.687 -5.202 1.00 0.00 C ATOM 879 O GLY A 61 5.925 -1.836 -5.512 1.00 0.00 O ATOM 0 H GLY A 61 9.966 -3.036 -5.232 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.390 -3.716 -4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.393 -2.541 -3.727 1.00 0.00 H new ATOM 883 N LEU A 62 7.624 -0.517 -5.382 1.00 0.00 N ATOM 884 CA LEU A 62 6.916 0.651 -5.888 1.00 0.00 C ATOM 885 C LEU A 62 6.164 0.407 -7.192 1.00 0.00 C ATOM 886 O LEU A 62 5.051 0.897 -7.339 1.00 0.00 O ATOM 887 CB LEU A 62 7.784 1.872 -6.023 1.00 0.00 C ATOM 888 CG LEU A 62 9.218 1.700 -6.477 1.00 0.00 C ATOM 889 CD1 LEU A 62 10.170 1.324 -5.339 1.00 0.00 C ATOM 890 CD2 LEU A 62 9.472 0.875 -7.724 1.00 0.00 C ATOM 0 H LEU A 62 8.606 -0.332 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 62 6.176 0.846 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.295 2.549 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.802 2.373 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 62 9.454 2.711 -6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.181 1.216 -5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.157 2.106 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.851 0.382 -4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.543 0.840 -7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.098 -0.138 -7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.958 1.329 -8.571 1.00 0.00 H new ATOM 901 N GLY A 63 6.733 -0.379 -8.104 1.00 0.00 N ATOM 902 CA GLY A 63 6.115 -0.702 -9.372 1.00 0.00 C ATOM 903 C GLY A 63 4.923 -1.644 -9.188 1.00 0.00 C ATOM 904 O GLY A 63 4.056 -1.719 -10.046 1.00 0.00 O ATOM 0 H GLY A 63 7.648 -0.811 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.785 0.214 -9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.850 -1.167 -10.029 1.00 0.00 H new ATOM 908 N THR A 64 4.861 -2.323 -8.046 1.00 0.00 N ATOM 909 CA THR A 64 3.745 -3.092 -7.546 1.00 0.00 C ATOM 910 C THR A 64 2.680 -2.102 -7.092 1.00 0.00 C ATOM 911 O THR A 64 1.519 -2.215 -7.471 1.00 0.00 O ATOM 912 CB THR A 64 4.232 -3.957 -6.355 1.00 0.00 C ATOM 913 OG1 THR A 64 5.391 -4.679 -6.716 1.00 0.00 O ATOM 914 CG2 THR A 64 3.158 -4.939 -5.912 1.00 0.00 C ATOM 0 H THR A 64 5.653 -2.346 -7.404 1.00 0.00 H new ATOM 0 HA THR A 64 3.334 -3.753 -8.309 1.00 0.00 H new ATOM 0 HB THR A 64 4.457 -3.282 -5.529 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.150 -4.064 -6.789 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.529 -5.531 -5.076 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.269 -4.390 -5.602 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.905 -5.600 -6.741 1.00 0.00 H new ATOM 922 N LEU A 65 3.066 -1.129 -6.264 1.00 0.00 N ATOM 923 CA LEU A 65 2.156 -0.200 -5.648 1.00 0.00 C ATOM 924 C LEU A 65 1.502 0.711 -6.673 1.00 0.00 C ATOM 925 O LEU A 65 0.284 0.850 -6.657 1.00 0.00 O ATOM 926 CB LEU A 65 2.950 0.598 -4.622 1.00 0.00 C ATOM 927 CG LEU A 65 3.183 -0.101 -3.275 1.00 0.00 C ATOM 928 CD1 LEU A 65 1.915 -0.057 -2.430 1.00 0.00 C ATOM 929 CD2 LEU A 65 3.732 -1.516 -3.236 1.00 0.00 C ATOM 0 H LEU A 65 4.041 -0.974 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 65 1.341 -0.739 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.919 0.848 -5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.430 1.538 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 65 4.008 0.493 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.095 -0.556 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.635 0.981 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.108 -0.564 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.828 -1.840 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.052 -2.185 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.710 -1.540 -3.716 1.00 0.00 H new ATOM 940 N VAL A 66 2.262 1.346 -7.561 1.00 0.00 N ATOM 941 CA VAL A 66 1.740 2.317 -8.517 1.00 0.00 C ATOM 942 C VAL A 66 0.674 1.735 -9.459 1.00 0.00 C ATOM 943 O VAL A 66 -0.167 2.475 -9.984 1.00 0.00 O ATOM 944 CB VAL A 66 2.957 2.879 -9.263 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.552 1.851 -10.219 1.00 0.00 C ATOM 946 CG2 VAL A 66 2.607 4.175 -9.999 1.00 0.00 C ATOM 0 H VAL A 66 3.268 1.199 -7.638 1.00 0.00 H new ATOM 0 HA VAL A 66 1.204 3.111 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 66 3.716 3.112 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.412 2.284 -10.730 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.868 0.972 -9.657 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.802 1.561 -10.954 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.490 4.549 -10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.816 3.980 -10.723 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.266 4.921 -9.281 1.00 0.00 H new ATOM 956 N VAL A 67 0.691 0.418 -9.684 1.00 0.00 N ATOM 957 CA VAL A 67 -0.340 -0.309 -10.418 1.00 0.00 C ATOM 958 C VAL A 67 -1.672 -0.153 -9.677 1.00 0.00 C ATOM 959 O VAL A 67 -2.696 0.134 -10.296 1.00 0.00 O ATOM 960 CB VAL A 67 0.101 -1.780 -10.573 1.00 0.00 C ATOM 961 CG1 VAL A 67 -1.021 -2.681 -11.106 1.00 0.00 C ATOM 962 CG2 VAL A 67 1.300 -1.902 -11.520 1.00 0.00 C ATOM 0 H VAL A 67 1.443 -0.185 -9.351 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.479 0.091 -11.422 1.00 0.00 H new ATOM 0 HB VAL A 67 0.373 -2.112 -9.571 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.655 -3.704 -11.195 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.865 -2.657 -10.417 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.341 -2.324 -12.085 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.588 -2.949 -11.609 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.029 -1.515 -12.502 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.137 -1.328 -11.123 1.00 0.00 H new ATOM 972 N ILE A 68 -1.653 -0.282 -8.350 1.00 0.00 N ATOM 973 CA ILE A 68 -2.832 -0.274 -7.500 1.00 0.00 C ATOM 974 C ILE A 68 -3.573 1.063 -7.576 1.00 0.00 C ATOM 975 O ILE A 68 -4.798 1.050 -7.524 1.00 0.00 O ATOM 976 CB ILE A 68 -2.456 -0.651 -6.050 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.651 -1.969 -5.943 1.00 0.00 C ATOM 978 CG2 ILE A 68 -3.724 -0.736 -5.188 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.394 -3.202 -6.455 1.00 0.00 C ATOM 0 H ILE A 68 -0.786 -0.398 -7.826 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.524 -1.031 -7.869 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.801 0.139 -5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.722 -1.860 -6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.378 -2.131 -4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.452 -1.002 -4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.230 0.229 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.391 -1.496 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.760 -4.081 -6.344 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.310 -3.340 -5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.644 -3.065 -7.507 1.00 0.00 H new ATOM 990 N LEU A 69 -2.884 2.198 -7.774 1.00 0.00 N ATOM 991 CA LEU A 69 -3.541 3.496 -7.977 1.00 0.00 C ATOM 992 C LEU A 69 -4.573 3.397 -9.092 1.00 0.00 C ATOM 993 O LEU A 69 -5.654 3.976 -9.009 1.00 0.00 O ATOM 994 CB LEU A 69 -2.511 4.567 -8.376 1.00 0.00 C ATOM 995 CG LEU A 69 -3.065 6.008 -8.409 1.00 0.00 C ATOM 996 CD1 LEU A 69 -3.284 6.553 -6.997 1.00 0.00 C ATOM 997 CD2 LEU A 69 -2.101 6.945 -9.146 1.00 0.00 C ATOM 0 H LEU A 69 -1.865 2.241 -7.798 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.023 3.773 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.676 4.528 -7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.113 4.322 -9.361 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.020 5.969 -8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.674 7.569 -7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.997 5.920 -6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.336 6.559 -6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.512 7.955 -9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.138 6.951 -8.636 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.967 6.597 -10.170 1.00 0.00 H new ATOM 1008 N LYS A 70 -4.214 2.672 -10.156 1.00 0.00 N ATOM 1009 CA LYS A 70 -5.064 2.494 -11.307 1.00 0.00 C ATOM 1010 C LYS A 70 -6.192 1.549 -10.936 1.00 0.00 C ATOM 1011 O LYS A 70 -7.312 2.013 -10.909 1.00 0.00 O ATOM 1012 CB LYS A 70 -4.215 2.093 -12.505 1.00 0.00 C ATOM 1013 CG LYS A 70 -5.016 2.158 -13.801 1.00 0.00 C ATOM 1014 CD LYS A 70 -4.051 2.337 -14.976 1.00 0.00 C ATOM 1015 CE LYS A 70 -4.846 2.615 -16.248 1.00 0.00 C ATOM 1016 NZ LYS A 70 -4.006 2.463 -17.447 1.00 0.00 N ATOM 0 H LYS A 70 -3.316 2.194 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.553 3.418 -11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.350 2.752 -12.577 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.834 1.082 -12.361 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.600 1.246 -13.929 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.723 2.987 -13.765 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.365 3.160 -14.775 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.444 1.440 -15.102 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.694 1.932 -16.306 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.253 3.626 -16.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.574 2.658 -18.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.211 3.132 -17.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.638 1.491 -17.492 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.939 0.282 -10.609 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.929 -0.689 -10.108 1.00 0.00 C ATOM 1028 C ASP A 71 -7.957 -0.049 -9.147 1.00 0.00 C ATOM 1029 O ASP A 71 -9.156 -0.258 -9.316 1.00 0.00 O ATOM 1030 CB ASP A 71 -6.235 -1.902 -9.443 1.00 0.00 C ATOM 1031 CG ASP A 71 -6.132 -3.158 -10.325 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -7.050 -4.008 -10.307 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -5.094 -3.361 -10.998 1.00 0.00 O ATOM 0 H ASP A 71 -5.004 -0.118 -10.687 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.485 -1.042 -10.977 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.231 -1.606 -9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.779 -2.159 -8.534 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.527 0.770 -8.178 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.364 1.562 -7.293 1.00 0.00 C ATOM 1039 C ALA A 72 -9.217 2.545 -8.097 1.00 0.00 C ATOM 1040 O ALA A 72 -10.440 2.456 -8.041 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.472 2.281 -6.268 1.00 0.00 C ATOM 0 H ALA A 72 -6.533 0.898 -7.988 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.053 0.911 -6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.093 2.878 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.919 1.544 -5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.771 2.932 -6.790 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.605 3.453 -8.860 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.269 4.410 -9.755 1.00 0.00 C ATOM 1049 C LYS A 73 -10.263 3.735 -10.704 1.00 0.00 C ATOM 1050 O LYS A 73 -11.327 4.303 -10.943 1.00 0.00 O ATOM 1051 CB LYS A 73 -8.167 5.193 -10.494 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.591 6.139 -11.632 1.00 0.00 C ATOM 1053 CD LYS A 73 -8.271 5.621 -13.054 1.00 0.00 C ATOM 1054 CE LYS A 73 -9.434 4.926 -13.781 1.00 0.00 C ATOM 1055 NZ LYS A 73 -10.559 5.836 -14.076 1.00 0.00 N ATOM 0 H LYS A 73 -7.589 3.548 -8.873 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.882 5.101 -9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.624 5.782 -9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.463 4.470 -10.906 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.664 6.317 -11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.097 7.100 -11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.936 6.462 -13.661 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.437 4.923 -12.988 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.067 4.497 -14.714 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.794 4.099 -13.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.216 5.373 -14.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.060 6.066 -13.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.195 6.710 -14.506 1.00 0.00 H new ATOM 1065 N ILE A 74 -9.965 2.542 -11.225 1.00 0.00 N ATOM 1066 CA ILE A 74 -10.856 1.756 -12.073 1.00 0.00 C ATOM 1067 C ILE A 74 -12.169 1.522 -11.305 1.00 0.00 C ATOM 1068 O ILE A 74 -13.252 1.745 -11.852 1.00 0.00 O ATOM 1069 CB ILE A 74 -10.161 0.444 -12.540 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -8.918 0.694 -13.435 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -11.151 -0.492 -13.253 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -8.195 -0.563 -13.938 1.00 0.00 C ATOM 0 H ILE A 74 -9.068 2.085 -11.061 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.096 2.293 -12.991 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.806 -0.041 -11.631 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -9.228 1.282 -14.299 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.206 1.300 -12.875 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.633 -1.399 -13.566 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.960 -0.753 -12.571 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.562 0.012 -14.128 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.343 -0.271 -14.553 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.845 -1.147 -13.087 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.882 -1.165 -14.532 1.00 0.00 H new ATOM 1083 N ASN A 75 -12.085 1.117 -10.034 1.00 0.00 N ATOM 1084 CA ASN A 75 -13.226 0.788 -9.180 1.00 0.00 C ATOM 1085 C ASN A 75 -13.685 1.998 -8.354 1.00 0.00 C ATOM 1086 O ASN A 75 -14.484 1.867 -7.422 1.00 0.00 O ATOM 1087 CB ASN A 75 -12.868 -0.416 -8.295 1.00 0.00 C ATOM 1088 CG ASN A 75 -14.066 -1.327 -8.070 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -15.053 -0.946 -7.446 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -14.019 -2.539 -8.589 1.00 0.00 N ATOM 0 H ASN A 75 -11.190 1.006 -9.557 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.073 0.516 -9.809 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.062 -0.983 -8.761 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.494 -0.063 -7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.809 -3.174 -8.475 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.192 -2.841 -9.105 1.00 0.00 H new ATOM 1096 N GLY A 76 -13.160 3.185 -8.664 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.536 4.441 -8.046 1.00 0.00 C ATOM 1098 C GLY A 76 -13.110 4.553 -6.585 1.00 0.00 C ATOM 1099 O GLY A 76 -13.852 5.127 -5.780 1.00 0.00 O ATOM 0 H GLY A 76 -12.438 3.293 -9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.092 5.261 -8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.618 4.559 -8.111 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.952 3.987 -6.221 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.442 3.998 -4.851 1.00 0.00 C ATOM 1105 C LYS A 77 -10.306 5.033 -4.729 1.00 0.00 C ATOM 1106 O LYS A 77 -9.799 5.525 -5.743 1.00 0.00 O ATOM 1107 CB LYS A 77 -11.005 2.568 -4.474 1.00 0.00 C ATOM 1108 CG LYS A 77 -12.035 1.451 -4.755 1.00 0.00 C ATOM 1109 CD LYS A 77 -13.252 1.477 -3.822 1.00 0.00 C ATOM 1110 CE LYS A 77 -14.157 0.242 -3.985 1.00 0.00 C ATOM 1111 NZ LYS A 77 -15.274 0.430 -4.937 1.00 0.00 N ATOM 0 H LYS A 77 -11.340 3.505 -6.879 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.215 4.301 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.088 2.335 -5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.761 2.552 -3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.378 1.538 -5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.541 0.484 -4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.910 1.537 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.835 2.377 -4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.549 -0.599 -4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.566 -0.026 -3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.159 0.098 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.362 1.439 -5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.087 -0.115 -5.803 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.898 5.366 -3.505 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.764 6.227 -3.145 1.00 0.00 C ATOM 1123 C GLU A 78 -7.599 5.355 -2.638 1.00 0.00 C ATOM 1124 O GLU A 78 -7.802 4.176 -2.344 1.00 0.00 O ATOM 1125 CB GLU A 78 -9.184 7.205 -2.029 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.668 8.633 -2.212 1.00 0.00 C ATOM 1127 CD GLU A 78 -9.262 9.382 -3.411 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -10.482 9.308 -3.653 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -8.504 10.159 -4.044 1.00 0.00 O ATOM 0 H GLU A 78 -10.383 5.018 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.450 6.791 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.272 7.229 -1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.826 6.822 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.880 9.200 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.584 8.602 -2.322 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.400 5.920 -2.459 1.00 0.00 N ATOM 1135 CA PHE A 79 -5.204 5.170 -2.073 1.00 0.00 C ATOM 1136 C PHE A 79 -4.238 6.071 -1.286 1.00 0.00 C ATOM 1137 O PHE A 79 -3.995 7.213 -1.691 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.571 4.598 -3.347 1.00 0.00 C ATOM 1139 CG PHE A 79 -3.083 4.339 -3.238 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.602 3.203 -2.562 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -2.179 5.295 -3.735 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -1.218 3.030 -2.381 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.799 5.107 -3.579 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.317 3.980 -2.894 1.00 0.00 C ATOM 0 H PHE A 79 -6.233 6.919 -2.579 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.459 4.344 -1.409 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.073 3.665 -3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.749 5.290 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.294 2.465 -2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.549 6.176 -4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.847 2.167 -1.848 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.106 5.829 -3.986 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.746 3.843 -2.761 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.718 5.593 -0.143 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.787 6.290 0.763 1.00 0.00 C ATOM 1155 C ILE A 80 -1.882 5.228 1.418 1.00 0.00 C ATOM 1156 O ILE A 80 -2.339 4.102 1.604 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.570 7.115 1.819 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.582 8.101 1.182 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.569 7.898 2.694 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.589 8.690 2.156 1.00 0.00 C ATOM 0 H ILE A 80 -3.948 4.658 0.193 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.170 6.999 0.211 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.145 6.412 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.030 8.916 0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.122 7.585 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.113 8.480 3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.901 7.199 3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.984 8.569 2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.256 9.368 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.172 7.887 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.062 9.239 2.937 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.636 5.558 1.785 1.00 0.00 N ATOM 1172 CA LEU A 81 0.305 4.679 2.495 1.00 0.00 C ATOM 1173 C LEU A 81 0.617 5.307 3.848 1.00 0.00 C ATOM 1174 O LEU A 81 1.019 6.471 3.897 1.00 0.00 O ATOM 1175 CB LEU A 81 1.643 4.587 1.734 1.00 0.00 C ATOM 1176 CG LEU A 81 1.606 3.924 0.353 1.00 0.00 C ATOM 1177 CD1 LEU A 81 2.912 4.239 -0.370 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.477 2.406 0.361 1.00 0.00 C ATOM 0 H LEU A 81 -0.241 6.478 1.589 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.145 3.690 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.037 5.596 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.351 4.039 2.356 1.00 0.00 H new ATOM 0 HG LEU A 81 0.715 4.324 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.903 3.774 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.017 5.319 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.751 3.849 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.460 2.037 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.326 1.971 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.553 2.122 0.864 1.00 0.00 H new ATOM 1189 N SER A 82 0.529 4.541 4.930 1.00 0.00 N ATOM 1190 CA SER A 82 0.810 5.027 6.267 1.00 0.00 C ATOM 1191 C SER A 82 1.750 4.073 7.008 1.00 0.00 C ATOM 1192 O SER A 82 1.903 2.912 6.633 1.00 0.00 O ATOM 1193 CB SER A 82 -0.524 5.265 6.975 1.00 0.00 C ATOM 1194 OG SER A 82 -0.838 6.638 6.943 1.00 0.00 O ATOM 0 H SER A 82 0.258 3.558 4.899 1.00 0.00 H new ATOM 0 HA SER A 82 1.345 5.976 6.237 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.312 4.690 6.489 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.466 4.919 8.007 1.00 0.00 H new ATOM 0 HG SER A 82 -1.637 6.804 7.486 1.00 0.00 H new ATOM 1199 N SER A 83 2.395 4.572 8.061 1.00 0.00 N ATOM 1200 CA SER A 83 3.397 3.861 8.852 1.00 0.00 C ATOM 1201 C SER A 83 4.604 3.365 8.025 1.00 0.00 C ATOM 1202 O SER A 83 5.232 2.361 8.367 1.00 0.00 O ATOM 1203 CB SER A 83 2.702 2.734 9.633 1.00 0.00 C ATOM 1204 OG SER A 83 3.233 2.598 10.940 1.00 0.00 O ATOM 0 H SER A 83 2.227 5.519 8.399 1.00 0.00 H new ATOM 0 HA SER A 83 3.839 4.565 9.557 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.633 2.939 9.694 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.816 1.794 9.094 1.00 0.00 H new ATOM 0 HG SER A 83 2.590 2.123 11.507 1.00 0.00 H new ATOM 1209 N LEU A 84 4.947 4.041 6.921 1.00 0.00 N ATOM 1210 CA LEU A 84 6.183 3.788 6.181 1.00 0.00 C ATOM 1211 C LEU A 84 7.361 4.073 7.098 1.00 0.00 C ATOM 1212 O LEU A 84 7.396 5.113 7.767 1.00 0.00 O ATOM 1213 CB LEU A 84 6.282 4.673 4.926 1.00 0.00 C ATOM 1214 CG LEU A 84 5.379 4.211 3.771 1.00 0.00 C ATOM 1215 CD1 LEU A 84 5.063 5.357 2.807 1.00 0.00 C ATOM 1216 CD2 LEU A 84 6.061 3.085 2.989 1.00 0.00 C ATOM 0 H LEU A 84 4.371 4.780 6.517 1.00 0.00 H new ATOM 0 HA LEU A 84 6.189 2.748 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.020 5.697 5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.317 4.687 4.583 1.00 0.00 H new ATOM 0 HG LEU A 84 4.446 3.857 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.423 4.991 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.550 6.154 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.991 5.743 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.413 2.765 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.006 3.445 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.250 2.243 3.654 1.00 0.00 H new ATOM 1227 N LYS A 85 8.335 3.164 7.119 1.00 0.00 N ATOM 1228 CA LYS A 85 9.541 3.328 7.906 1.00 0.00 C ATOM 1229 C LYS A 85 10.404 4.371 7.274 1.00 0.00 C ATOM 1230 O LYS A 85 10.398 4.561 6.060 1.00 0.00 O ATOM 1231 CB LYS A 85 10.349 2.038 8.001 1.00 0.00 C ATOM 1232 CG LYS A 85 9.563 0.946 8.700 1.00 0.00 C ATOM 1233 CD LYS A 85 10.533 -0.138 9.168 1.00 0.00 C ATOM 1234 CE LYS A 85 9.716 -1.257 9.784 1.00 0.00 C ATOM 1235 NZ LYS A 85 10.561 -2.247 10.475 1.00 0.00 N ATOM 0 H LYS A 85 8.303 2.294 6.587 1.00 0.00 H new ATOM 0 HA LYS A 85 9.235 3.618 8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.627 1.706 7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.276 2.226 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.019 1.358 9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.822 0.522 8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.122 -0.512 8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.236 0.267 9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.001 -0.836 10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.139 -1.755 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.986 -2.775 11.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.962 -2.908 9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.333 -1.758 10.972 1.00 0.00 H new ATOM 1245 N GLU A 86 11.298 4.896 8.094 1.00 0.00 N ATOM 1246 CA GLU A 86 12.235 5.922 7.675 1.00 0.00 C ATOM 1247 C GLU A 86 13.084 5.418 6.504 1.00 0.00 C ATOM 1248 O GLU A 86 13.471 6.177 5.612 1.00 0.00 O ATOM 1249 CB GLU A 86 13.116 6.262 8.892 1.00 0.00 C ATOM 1250 CG GLU A 86 14.020 7.488 8.737 1.00 0.00 C ATOM 1251 CD GLU A 86 13.240 8.794 8.859 1.00 0.00 C ATOM 1252 OE1 GLU A 86 12.860 9.171 9.993 1.00 0.00 O ATOM 1253 OE2 GLU A 86 13.023 9.462 7.826 1.00 0.00 O ATOM 0 H GLU A 86 11.394 4.621 9.072 1.00 0.00 H new ATOM 0 HA GLU A 86 11.710 6.813 7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.468 6.419 9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.742 5.398 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.801 7.460 9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.517 7.452 7.767 1.00 0.00 H new ATOM 1258 N SER A 87 13.335 4.109 6.486 1.00 0.00 N ATOM 1259 CA SER A 87 14.179 3.459 5.497 1.00 0.00 C ATOM 1260 C SER A 87 13.449 3.203 4.178 1.00 0.00 C ATOM 1261 O SER A 87 14.118 2.928 3.185 1.00 0.00 O ATOM 1262 CB SER A 87 14.727 2.159 6.094 1.00 0.00 C ATOM 1263 OG SER A 87 15.342 2.481 7.329 1.00 0.00 O ATOM 0 H SER A 87 12.948 3.463 7.174 1.00 0.00 H new ATOM 0 HA SER A 87 15.004 4.129 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.924 1.437 6.243 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.446 1.700 5.416 1.00 0.00 H new ATOM 0 HG SER A 87 15.702 1.666 7.737 1.00 0.00 H new ATOM 1268 N ILE A 88 12.121 3.332 4.132 1.00 0.00 N ATOM 1269 CA ILE A 88 11.300 3.096 2.953 1.00 0.00 C ATOM 1270 C ILE A 88 10.789 4.439 2.448 1.00 0.00 C ATOM 1271 O ILE A 88 10.737 4.668 1.241 1.00 0.00 O ATOM 1272 CB ILE A 88 10.132 2.147 3.276 1.00 0.00 C ATOM 1273 CG1 ILE A 88 10.572 0.829 3.949 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.346 1.859 1.984 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.656 0.046 3.211 1.00 0.00 C ATOM 0 H ILE A 88 11.574 3.614 4.945 1.00 0.00 H new ATOM 0 HA ILE A 88 11.897 2.615 2.178 1.00 0.00 H new ATOM 0 HB ILE A 88 9.498 2.651 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 88 10.931 1.056 4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 88 9.697 0.188 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.517 1.187 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.958 2.793 1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.006 1.392 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.892 -0.861 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.299 -0.221 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.552 0.660 3.122 1.00 0.00 H new ATOM 1286 N SER A 89 10.473 5.359 3.353 1.00 0.00 N ATOM 1287 CA SER A 89 9.995 6.674 2.965 1.00 0.00 C ATOM 1288 C SER A 89 11.064 7.361 2.100 1.00 0.00 C ATOM 1289 O SER A 89 10.809 7.761 0.963 1.00 0.00 O ATOM 1290 CB SER A 89 9.646 7.520 4.196 1.00 0.00 C ATOM 1291 OG SER A 89 8.790 6.802 5.057 1.00 0.00 O ATOM 0 H SER A 89 10.541 5.215 4.360 1.00 0.00 H new ATOM 0 HA SER A 89 9.080 6.567 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.557 7.796 4.726 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.165 8.447 3.884 1.00 0.00 H new ATOM 0 HG SER A 89 9.305 6.121 5.537 1.00 0.00 H new ATOM 1296 N ARG A 90 12.320 7.353 2.575 1.00 0.00 N ATOM 1297 CA ARG A 90 13.476 7.821 1.812 1.00 0.00 C ATOM 1298 C ARG A 90 13.593 7.151 0.459 1.00 0.00 C ATOM 1299 O ARG A 90 14.089 7.776 -0.462 1.00 0.00 O ATOM 1300 CB ARG A 90 14.780 7.604 2.574 1.00 0.00 C ATOM 1301 CG ARG A 90 15.273 6.155 2.539 1.00 0.00 C ATOM 1302 CD ARG A 90 16.485 5.997 3.427 1.00 0.00 C ATOM 1303 NE ARG A 90 17.716 6.452 2.762 1.00 0.00 N ATOM 1304 CZ ARG A 90 18.309 7.646 2.859 1.00 0.00 C ATOM 1305 NH1 ARG A 90 17.892 8.581 3.702 1.00 0.00 N ATOM 1306 NH2 ARG A 90 19.361 7.917 2.102 1.00 0.00 N ATOM 0 H ARG A 90 12.558 7.017 3.508 1.00 0.00 H new ATOM 0 HA ARG A 90 13.310 8.888 1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.549 8.252 2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.640 7.907 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.480 5.485 2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.523 5.872 1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.338 6.564 4.346 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.592 4.950 3.712 1.00 0.00 H new ATOM 0 HE ARG A 90 18.173 5.773 2.153 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.091 8.401 4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.373 9.480 3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.714 7.217 1.450 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.818 8.826 2.171 1.00 0.00 H new ATOM 1317 N ILE A 91 13.248 5.871 0.362 1.00 0.00 N ATOM 1318 CA ILE A 91 13.461 5.062 -0.819 1.00 0.00 C ATOM 1319 C ILE A 91 12.499 5.606 -1.884 1.00 0.00 C ATOM 1320 O ILE A 91 12.910 5.927 -3.000 1.00 0.00 O ATOM 1321 CB ILE A 91 13.236 3.571 -0.433 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.585 2.900 -0.103 1.00 0.00 C ATOM 1323 CG2 ILE A 91 12.445 2.779 -1.490 1.00 0.00 C ATOM 1324 CD1 ILE A 91 14.449 1.434 0.340 1.00 0.00 C ATOM 0 H ILE A 91 12.802 5.361 1.125 1.00 0.00 H new ATOM 0 HA ILE A 91 14.471 5.111 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 91 12.610 3.561 0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.230 2.948 -0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.079 3.466 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 91 12.324 1.748 -1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.464 3.233 -1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.986 2.794 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.436 1.026 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.831 1.381 1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.983 0.855 -0.457 1.00 0.00 H new ATOM 1335 N LEU A 92 11.224 5.772 -1.517 1.00 0.00 N ATOM 1336 CA LEU A 92 10.202 6.353 -2.373 1.00 0.00 C ATOM 1337 C LEU A 92 10.639 7.764 -2.758 1.00 0.00 C ATOM 1338 O LEU A 92 10.589 8.139 -3.923 1.00 0.00 O ATOM 1339 CB LEU A 92 8.843 6.365 -1.651 1.00 0.00 C ATOM 1340 CG LEU A 92 8.308 4.957 -1.302 1.00 0.00 C ATOM 1341 CD1 LEU A 92 7.229 5.024 -0.217 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.761 4.217 -2.528 1.00 0.00 C ATOM 0 H LEU A 92 10.874 5.499 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 92 10.083 5.755 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.935 6.946 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.113 6.875 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 92 9.161 4.394 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.874 4.018 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.648 5.469 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.396 5.633 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.398 3.234 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.941 4.789 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.554 4.101 -3.267 1.00 0.00 H new ATOM 1353 N LYS A 93 11.119 8.571 -1.817 1.00 0.00 N ATOM 1354 CA LYS A 93 11.579 9.922 -2.068 1.00 0.00 C ATOM 1355 C LYS A 93 12.732 9.952 -3.064 1.00 0.00 C ATOM 1356 O LYS A 93 12.701 10.743 -4.013 1.00 0.00 O ATOM 1357 CB LYS A 93 11.938 10.469 -0.696 1.00 0.00 C ATOM 1358 CG LYS A 93 12.570 11.847 -0.750 1.00 0.00 C ATOM 1359 CD LYS A 93 11.992 12.752 0.344 1.00 0.00 C ATOM 1360 CE LYS A 93 12.934 13.876 0.776 1.00 0.00 C ATOM 1361 NZ LYS A 93 12.286 14.758 1.770 1.00 0.00 N ATOM 0 H LYS A 93 11.198 8.293 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 93 10.820 10.543 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.038 10.513 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.625 9.780 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.650 11.762 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.396 12.294 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.060 13.189 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.745 12.143 1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.843 13.450 1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.232 14.460 -0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.946 15.513 2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.432 15.181 1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.024 14.202 2.609 1.00 0.00 H new ATOM 1371 N LEU A 94 13.729 9.097 -2.857 1.00 0.00 N ATOM 1372 CA LEU A 94 14.888 8.901 -3.709 1.00 0.00 C ATOM 1373 C LEU A 94 14.397 8.664 -5.127 1.00 0.00 C ATOM 1374 O LEU A 94 14.583 9.533 -5.977 1.00 0.00 O ATOM 1375 CB LEU A 94 15.763 7.756 -3.157 1.00 0.00 C ATOM 1376 CG LEU A 94 16.771 8.208 -2.086 1.00 0.00 C ATOM 1377 CD1 LEU A 94 17.439 7.000 -1.425 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.845 9.117 -2.683 1.00 0.00 C ATOM 0 H LEU A 94 13.746 8.488 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 94 15.529 9.783 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.116 6.988 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.306 7.295 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 94 16.215 8.769 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 94 18.148 7.343 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.679 6.378 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.967 6.417 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 94 18.542 9.419 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.385 8.579 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.375 10.002 -3.112 1.00 0.00 H new ATOM 1389 N THR A 95 13.655 7.585 -5.360 1.00 0.00 N ATOM 1390 CA THR A 95 13.132 7.194 -6.669 1.00 0.00 C ATOM 1391 C THR A 95 11.914 8.031 -7.118 1.00 0.00 C ATOM 1392 O THR A 95 11.161 7.627 -7.997 1.00 0.00 O ATOM 1393 CB THR A 95 12.881 5.666 -6.656 1.00 0.00 C ATOM 1394 OG1 THR A 95 13.808 5.000 -5.803 1.00 0.00 O ATOM 1395 CG2 THR A 95 13.061 5.031 -8.037 1.00 0.00 C ATOM 0 H THR A 95 13.391 6.936 -4.619 1.00 0.00 H new ATOM 0 HA THR A 95 13.874 7.416 -7.436 1.00 0.00 H new ATOM 0 HB THR A 95 11.853 5.551 -6.311 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.627 4.037 -5.811 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.873 3.959 -7.972 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.358 5.480 -8.739 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.080 5.201 -8.385 1.00 0.00 H new ATOM 1403 N HIS A 96 11.723 9.217 -6.535 1.00 0.00 N ATOM 1404 CA HIS A 96 10.697 10.215 -6.847 1.00 0.00 C ATOM 1405 C HIS A 96 9.268 9.669 -6.850 1.00 0.00 C ATOM 1406 O HIS A 96 8.424 10.159 -7.595 1.00 0.00 O ATOM 1407 CB HIS A 96 10.931 10.918 -8.191 1.00 0.00 C ATOM 1408 CG HIS A 96 12.352 11.269 -8.549 1.00 0.00 C ATOM 1409 ND1 HIS A 96 13.403 11.485 -7.671 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.853 11.279 -9.823 1.00 0.00 C ATOM 1411 CE1 HIS A 96 14.518 11.614 -8.406 1.00 0.00 C ATOM 1412 NE2 HIS A 96 14.210 11.497 -9.709 1.00 0.00 N ATOM 0 H HIS A 96 12.328 9.528 -5.775 1.00 0.00 H new ATOM 0 HA HIS A 96 10.797 10.929 -6.029 1.00 0.00 H new ATOM 0 HB2 HIS A 96 10.532 10.280 -8.979 1.00 0.00 H new ATOM 0 HB3 HIS A 96 10.345 11.837 -8.198 1.00 0.00 H new ATOM 0 HD2 HIS A 96 12.295 11.143 -10.738 1.00 0.00 H new ATOM 0 HE1 HIS A 96 15.509 11.785 -8.012 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.870 11.559 -10.484 1.00 0.00 H new ATOM 1420 N LEU A 97 9.005 8.659 -6.044 1.00 0.00 N ATOM 1421 CA LEU A 97 7.738 7.990 -5.858 1.00 0.00 C ATOM 1422 C LEU A 97 6.894 8.713 -4.823 1.00 0.00 C ATOM 1423 O LEU A 97 5.675 8.667 -4.910 1.00 0.00 O ATOM 1424 CB LEU A 97 8.077 6.565 -5.368 1.00 0.00 C ATOM 1425 CG LEU A 97 7.744 5.443 -6.342 1.00 0.00 C ATOM 1426 CD1 LEU A 97 6.240 5.266 -6.418 1.00 0.00 C ATOM 1427 CD2 LEU A 97 8.355 5.634 -7.729 1.00 0.00 C ATOM 0 H LEU A 97 9.733 8.254 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 97 7.163 7.972 -6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.142 6.521 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.544 6.383 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 97 8.200 4.533 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.003 4.463 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.853 5.015 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.782 6.193 -6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.075 4.797 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.986 6.562 -8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.441 5.679 -7.645 1.00 0.00 H new ATOM 1438 N ASP A 98 7.502 9.365 -3.833 1.00 0.00 N ATOM 1439 CA ASP A 98 6.772 10.063 -2.768 1.00 0.00 C ATOM 1440 C ASP A 98 5.975 11.213 -3.387 1.00 0.00 C ATOM 1441 O ASP A 98 4.758 11.282 -3.229 1.00 0.00 O ATOM 1442 CB ASP A 98 7.756 10.429 -1.634 1.00 0.00 C ATOM 1443 CG ASP A 98 7.635 11.798 -0.951 1.00 0.00 C ATOM 1444 OD1 ASP A 98 6.638 12.526 -1.096 1.00 0.00 O ATOM 1445 OD2 ASP A 98 8.633 12.186 -0.291 1.00 0.00 O ATOM 0 H ASP A 98 8.516 9.426 -3.744 1.00 0.00 H new ATOM 0 HA ASP A 98 6.023 9.436 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.663 9.667 -0.860 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.765 10.352 -2.038 1.00 0.00 H new ATOM 1449 N LYS A 99 6.643 12.032 -4.209 1.00 0.00 N ATOM 1450 CA LYS A 99 6.093 13.202 -4.900 1.00 0.00 C ATOM 1451 C LYS A 99 4.954 12.915 -5.902 1.00 0.00 C ATOM 1452 O LYS A 99 4.555 13.822 -6.639 1.00 0.00 O ATOM 1453 CB LYS A 99 7.240 13.996 -5.560 1.00 0.00 C ATOM 1454 CG LYS A 99 7.992 13.192 -6.623 1.00 0.00 C ATOM 1455 CD LYS A 99 7.869 13.736 -8.054 1.00 0.00 C ATOM 1456 CE LYS A 99 8.799 14.902 -8.409 1.00 0.00 C ATOM 1457 NZ LYS A 99 8.273 16.241 -8.067 1.00 0.00 N ATOM 0 H LYS A 99 7.631 11.888 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 99 5.608 13.800 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.834 14.899 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.942 14.316 -4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.047 13.158 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.626 12.165 -6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.060 12.919 -8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.839 14.056 -8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.750 14.759 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.006 14.871 -9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.951 16.969 -8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.364 16.390 -8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.134 16.307 -7.038 1.00 0.00 H new ATOM 1467 N ILE A 100 4.488 11.672 -6.013 1.00 0.00 N ATOM 1468 CA ILE A 100 3.483 11.196 -6.947 1.00 0.00 C ATOM 1469 C ILE A 100 2.507 10.201 -6.271 1.00 0.00 C ATOM 1470 O ILE A 100 1.677 9.605 -6.960 1.00 0.00 O ATOM 1471 CB ILE A 100 4.216 10.623 -8.184 1.00 0.00 C ATOM 1472 CG1 ILE A 100 5.320 9.611 -7.867 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.810 11.748 -9.060 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.967 9.048 -9.140 1.00 0.00 C ATOM 0 H ILE A 100 4.829 10.924 -5.409 1.00 0.00 H new ATOM 0 HA ILE A 100 2.844 12.013 -7.282 1.00 0.00 H new ATOM 0 HB ILE A 100 3.438 10.084 -8.725 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.084 10.088 -7.253 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.904 8.793 -7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.317 11.310 -9.920 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.009 12.401 -9.406 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.523 12.327 -8.474 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.745 8.334 -8.868 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.209 8.547 -9.742 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.407 9.863 -9.715 1.00 0.00 H new ATOM 1485 N PHE A 101 2.616 10.004 -4.950 1.00 0.00 N ATOM 1486 CA PHE A 101 1.860 9.113 -4.061 1.00 0.00 C ATOM 1487 C PHE A 101 1.275 9.926 -2.880 1.00 0.00 C ATOM 1488 O PHE A 101 1.132 11.148 -2.977 1.00 0.00 O ATOM 1489 CB PHE A 101 2.827 8.024 -3.563 1.00 0.00 C ATOM 1490 CG PHE A 101 2.938 6.749 -4.382 1.00 0.00 C ATOM 1491 CD1 PHE A 101 3.087 6.747 -5.777 1.00 0.00 C ATOM 1492 CD2 PHE A 101 2.963 5.518 -3.714 1.00 0.00 C ATOM 1493 CE1 PHE A 101 3.188 5.545 -6.490 1.00 0.00 C ATOM 1494 CE2 PHE A 101 3.093 4.317 -4.398 1.00 0.00 C ATOM 1495 CZ PHE A 101 3.175 4.338 -5.786 1.00 0.00 C ATOM 0 H PHE A 101 3.315 10.524 -4.420 1.00 0.00 H new ATOM 0 HA PHE A 101 1.024 8.650 -4.586 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.821 8.465 -3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.529 7.748 -2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.124 7.686 -6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.879 5.503 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.275 5.551 -7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.130 3.381 -3.861 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.230 3.406 -6.329 1.00 0.00 H new ATOM 1504 N LYS A 102 0.880 9.269 -1.781 1.00 0.00 N ATOM 1505 CA LYS A 102 0.426 9.867 -0.524 1.00 0.00 C ATOM 1506 C LYS A 102 0.939 9.102 0.681 1.00 0.00 C ATOM 1507 O LYS A 102 0.725 7.891 0.772 1.00 0.00 O ATOM 1508 CB LYS A 102 -1.096 9.938 -0.514 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.565 10.912 0.570 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.922 11.527 0.229 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.670 11.796 1.530 1.00 0.00 C ATOM 1512 NZ LYS A 102 -3.231 13.042 2.190 1.00 0.00 N ATOM 0 H LYS A 102 0.869 8.250 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 102 0.834 10.875 -0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.460 10.262 -1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.514 8.948 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.632 10.390 1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.827 11.704 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.789 12.453 -0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.496 10.851 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.739 11.855 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.522 10.957 2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.770 13.178 3.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.217 12.979 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.396 13.848 1.554 1.00 0.00 H new ATOM 1522 N ILE A 103 1.591 9.824 1.586 1.00 0.00 N ATOM 1523 CA ILE A 103 2.321 9.296 2.717 1.00 0.00 C ATOM 1524 C ILE A 103 1.904 10.027 3.992 1.00 0.00 C ATOM 1525 O ILE A 103 2.193 11.218 4.154 1.00 0.00 O ATOM 1526 CB ILE A 103 3.849 9.357 2.469 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.294 8.478 1.272 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.616 8.919 3.730 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.368 9.232 -0.061 1.00 0.00 C ATOM 0 H ILE A 103 1.622 10.843 1.542 1.00 0.00 H new ATOM 0 HA ILE A 103 2.072 8.243 2.845 1.00 0.00 H new ATOM 0 HB ILE A 103 4.083 10.394 2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.273 8.052 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.599 7.644 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.688 8.968 3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.364 9.582 4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.339 7.897 3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.686 8.549 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.385 9.635 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.085 10.049 0.022 1.00 0.00 H new ATOM 1540 N THR A 104 1.286 9.293 4.908 1.00 0.00 N ATOM 1541 CA THR A 104 0.914 9.752 6.240 1.00 0.00 C ATOM 1542 C THR A 104 1.570 8.872 7.292 1.00 0.00 C ATOM 1543 O THR A 104 2.299 7.933 6.989 1.00 0.00 O ATOM 1544 CB THR A 104 -0.611 9.872 6.362 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.305 8.878 5.635 1.00 0.00 O ATOM 1546 CG2 THR A 104 -1.060 11.195 5.744 1.00 0.00 C ATOM 0 H THR A 104 1.020 8.323 4.737 1.00 0.00 H new ATOM 0 HA THR A 104 1.293 10.759 6.416 1.00 0.00 H new ATOM 0 HB THR A 104 -0.833 9.782 7.425 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.073 7.993 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.143 11.287 5.827 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.584 12.022 6.270 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.774 11.221 4.693 1.00 0.00 H new ATOM 1554 N ASP A 105 1.356 9.217 8.548 1.00 0.00 N ATOM 1555 CA ASP A 105 2.063 8.638 9.667 1.00 0.00 C ATOM 1556 C ASP A 105 1.245 7.484 10.203 1.00 0.00 C ATOM 1557 O ASP A 105 1.736 6.362 10.294 1.00 0.00 O ATOM 1558 CB ASP A 105 2.207 9.725 10.734 1.00 0.00 C ATOM 1559 CG ASP A 105 3.414 10.635 10.514 1.00 0.00 C ATOM 1560 OD1 ASP A 105 4.443 10.163 9.978 1.00 0.00 O ATOM 1561 OD2 ASP A 105 3.316 11.827 10.882 1.00 0.00 O ATOM 0 H ASP A 105 0.671 9.922 8.821 1.00 0.00 H new ATOM 0 HA ASP A 105 3.047 8.272 9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.302 10.332 10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 105 2.290 9.254 11.713 1.00 0.00 H new ATOM 1565 N THR A 106 -0.019 7.744 10.511 1.00 0.00 N ATOM 1566 CA THR A 106 -0.940 6.745 11.028 1.00 0.00 C ATOM 1567 C THR A 106 -1.963 6.470 9.936 1.00 0.00 C ATOM 1568 O THR A 106 -2.242 7.324 9.086 1.00 0.00 O ATOM 1569 CB THR A 106 -1.575 7.234 12.344 1.00 0.00 C ATOM 1570 OG1 THR A 106 -2.184 8.495 12.141 1.00 0.00 O ATOM 1571 CG2 THR A 106 -0.543 7.310 13.477 1.00 0.00 C ATOM 0 H THR A 106 -0.437 8.668 10.407 1.00 0.00 H new ATOM 0 HA THR A 106 -0.430 5.814 11.276 1.00 0.00 H new ATOM 0 HB THR A 106 -2.334 6.511 12.644 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.588 8.802 12.979 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.028 7.659 14.389 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.117 6.321 13.648 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.251 8.004 13.200 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.544 5.276 9.934 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.694 4.968 9.095 1.00 0.00 C ATOM 1581 C VAL A 107 -4.876 5.886 9.422 1.00 0.00 C ATOM 1582 O VAL A 107 -5.733 6.138 8.581 1.00 0.00 O ATOM 1583 CB VAL A 107 -4.084 3.498 9.300 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -2.950 2.566 8.840 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -4.467 3.239 10.768 1.00 0.00 C ATOM 0 H VAL A 107 -2.231 4.496 10.513 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.427 5.134 8.051 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.958 3.282 8.686 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.247 1.529 8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.749 2.733 7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.050 2.775 9.418 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.740 2.191 10.893 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.619 3.472 11.412 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.313 3.870 11.040 1.00 0.00 H new ATOM 1595 N GLU A 108 -4.926 6.384 10.656 1.00 0.00 N ATOM 1596 CA GLU A 108 -5.940 7.304 11.107 1.00 0.00 C ATOM 1597 C GLU A 108 -5.807 8.628 10.345 1.00 0.00 C ATOM 1598 O GLU A 108 -6.829 9.159 9.917 1.00 0.00 O ATOM 1599 CB GLU A 108 -5.858 7.406 12.644 1.00 0.00 C ATOM 1600 CG GLU A 108 -6.115 8.815 13.188 1.00 0.00 C ATOM 1601 CD GLU A 108 -6.543 8.837 14.653 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -7.658 8.354 14.934 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -5.835 9.408 15.515 1.00 0.00 O ATOM 0 H GLU A 108 -4.244 6.148 11.376 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.948 6.956 10.884 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.583 6.720 13.083 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.871 7.077 12.968 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.209 9.410 13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.888 9.292 12.585 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.593 9.144 10.120 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.409 10.429 9.450 1.00 0.00 C ATOM 1610 C GLU A 109 -4.685 10.372 7.942 1.00 0.00 C ATOM 1611 O GLU A 109 -4.772 11.427 7.301 1.00 0.00 O ATOM 1612 CB GLU A 109 -2.981 10.963 9.668 1.00 0.00 C ATOM 1613 CG GLU A 109 -3.032 12.470 9.933 1.00 0.00 C ATOM 1614 CD GLU A 109 -1.704 13.152 9.636 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -0.765 13.029 10.447 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -1.625 13.893 8.626 1.00 0.00 O ATOM 0 H GLU A 109 -3.723 8.687 10.394 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.140 11.100 9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.515 10.451 10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.367 10.758 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.814 12.919 9.320 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.303 12.645 10.974 1.00 0.00 H new ATOM 1621 N ALA A 110 -4.777 9.171 7.373 1.00 0.00 N ATOM 1622 CA ALA A 110 -4.879 8.925 5.949 1.00 0.00 C ATOM 1623 C ALA A 110 -6.281 9.260 5.461 1.00 0.00 C ATOM 1624 O ALA A 110 -6.435 10.296 4.786 1.00 0.00 O ATOM 1625 CB ALA A 110 -4.525 7.470 5.673 1.00 0.00 C ATOM 0 H ALA A 110 -4.782 8.311 7.922 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.181 9.563 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.599 7.274 4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.507 7.273 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.216 6.819 6.209 1.00 0.00 H new