USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 549 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 46 THR OG1 : rot 180:sc= 0.472 USER MOD Set 1.2: A 51 THR OG1 : rot -80:sc= 0.141 USER MOD Set 2.1: A 15 HIS : no HD1:sc= -1.89 X(o=-1.9,f=-1.8) USER MOD Set 2.2: A 19 MET CE :methyl 163:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.581 USER MOD Single : A 12 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.51) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -20:sc= 0.445 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.8) USER MOD Single : A 27 TYR OH : rot 100:sc= -0.295 USER MOD Single : A 29 CYS SG : rot 145:sc= 0.0544 USER MOD Single : A 32 SER OG : rot 109:sc= 1.5 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -2.57 K(o=-2.6,f=-1.1) USER MOD Single : A 40 THR OG1 : rot 18:sc= 0.718 USER MOD Single : A 42 THR OG1 : rot 180:sc= -2.15 USER MOD Single : A 52 CYS SG : rot -140:sc= -0.432 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -110:sc= -0.993 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -7.72! C(o=-7.7!,f=-8.3!) USER MOD Single : A 72 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -19.524 6.746 -4.537 1.00 0.00 N ATOM 67 CA LYS A 8 -18.927 6.497 -5.844 1.00 0.00 C ATOM 68 C LYS A 8 -17.425 6.259 -5.719 1.00 0.00 C ATOM 69 O LYS A 8 -16.742 6.925 -4.940 1.00 0.00 O ATOM 70 CB LYS A 8 -19.190 7.678 -6.781 1.00 0.00 C ATOM 71 CG LYS A 8 -20.552 7.630 -7.451 1.00 0.00 C ATOM 72 CD LYS A 8 -20.524 8.291 -8.819 1.00 0.00 C ATOM 73 CE LYS A 8 -20.778 9.788 -8.720 1.00 0.00 C ATOM 74 NZ LYS A 8 -20.754 10.444 -10.056 1.00 0.00 N ATOM 0 HA LYS A 8 -19.386 5.601 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.105 8.606 -6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.417 7.701 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -20.872 6.593 -7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.287 8.129 -6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -19.557 8.115 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -21.278 7.835 -9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.745 9.962 -8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.023 10.243 -8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -20.931 11.463 -9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.823 10.300 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.491 10.028 -10.660 1.00 0.00 H new ATOM 88 N THR A 9 -16.915 5.306 -6.493 1.00 0.00 N ATOM 89 CA THR A 9 -15.495 4.980 -6.470 1.00 0.00 C ATOM 90 C THR A 9 -14.657 6.138 -7.001 1.00 0.00 C ATOM 91 O THR A 9 -15.119 6.957 -7.795 1.00 0.00 O ATOM 92 CB THR A 9 -15.194 3.719 -7.301 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.880 4.085 -8.650 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.381 2.768 -7.291 1.00 0.00 C ATOM 0 H THR A 9 -17.465 4.746 -7.144 1.00 0.00 H new ATOM 0 HA THR A 9 -15.231 4.791 -5.430 1.00 0.00 H new ATOM 0 HB THR A 9 -14.339 3.212 -6.854 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.688 3.278 -9.172 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.145 1.885 -7.885 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.599 2.469 -6.266 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.251 3.268 -7.716 1.00 0.00 H new ATOM 102 N PRO A 10 -13.394 6.208 -6.555 1.00 0.00 N ATOM 103 CA PRO A 10 -12.464 7.261 -6.974 1.00 0.00 C ATOM 104 C PRO A 10 -12.044 7.117 -8.433 1.00 0.00 C ATOM 105 O PRO A 10 -11.559 8.068 -9.046 1.00 0.00 O ATOM 106 CB PRO A 10 -11.261 7.060 -6.049 1.00 0.00 C ATOM 107 CG PRO A 10 -11.316 5.623 -5.662 1.00 0.00 C ATOM 108 CD PRO A 10 -12.776 5.265 -5.608 1.00 0.00 C ATOM 0 HA PRO A 10 -12.912 8.252 -6.904 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.327 7.297 -6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.321 7.708 -5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.789 5.003 -6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.838 5.460 -4.696 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.947 4.230 -5.903 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.181 5.381 -4.603 1.00 0.00 H new ATOM 116 N ILE A 11 -12.235 5.923 -8.983 1.00 0.00 N ATOM 117 CA ILE A 11 -11.877 5.656 -10.371 1.00 0.00 C ATOM 118 C ILE A 11 -13.011 6.042 -11.315 1.00 0.00 C ATOM 119 O ILE A 11 -12.772 6.481 -12.440 1.00 0.00 O ATOM 120 CB ILE A 11 -11.528 4.171 -10.587 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.490 3.715 -9.559 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.014 3.949 -12.002 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.068 4.052 -9.946 1.00 0.00 C ATOM 0 H ILE A 11 -12.635 5.125 -8.489 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.999 6.263 -10.593 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.431 3.576 -10.452 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.715 4.177 -8.598 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.575 2.637 -9.423 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.771 2.895 -12.140 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.782 4.241 -12.718 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.120 4.551 -12.163 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.387 3.699 -9.172 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.824 3.568 -10.892 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.967 5.132 -10.054 1.00 0.00 H new ATOM 135 N GLN A 12 -14.244 5.877 -10.848 1.00 0.00 N ATOM 136 CA GLN A 12 -15.415 6.210 -11.651 1.00 0.00 C ATOM 137 C GLN A 12 -15.647 7.717 -11.676 1.00 0.00 C ATOM 138 O GLN A 12 -16.019 8.281 -12.706 1.00 0.00 O ATOM 139 CB GLN A 12 -16.655 5.500 -11.102 1.00 0.00 C ATOM 140 CG GLN A 12 -16.775 4.053 -11.550 1.00 0.00 C ATOM 141 CD GLN A 12 -16.389 3.858 -13.003 1.00 0.00 C ATOM 142 OE1 GLN A 12 -17.137 4.222 -13.910 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.216 3.279 -13.231 1.00 0.00 N ATOM 0 H GLN A 12 -14.458 5.515 -9.919 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.233 5.872 -12.671 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.630 5.534 -10.013 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.545 6.044 -11.418 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.139 3.428 -10.922 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.801 3.715 -11.402 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.628 2.993 -12.448 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.903 3.120 -14.189 1.00 0.00 H new ATOM 152 N VAL A 13 -15.426 8.364 -10.537 1.00 0.00 N ATOM 153 CA VAL A 13 -15.610 9.807 -10.429 1.00 0.00 C ATOM 154 C VAL A 13 -14.522 10.558 -11.187 1.00 0.00 C ATOM 155 O VAL A 13 -14.806 11.305 -12.125 1.00 0.00 O ATOM 156 CB VAL A 13 -15.605 10.264 -8.958 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.666 11.782 -8.871 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.762 9.631 -8.199 1.00 0.00 C ATOM 0 H VAL A 13 -15.119 7.912 -9.675 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.580 10.037 -10.870 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.674 9.934 -8.496 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.662 12.087 -7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.801 12.211 -9.377 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.579 12.137 -9.349 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.743 9.965 -7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.705 9.928 -8.659 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.669 8.546 -8.232 1.00 0.00 H new ATOM 168 N LEU A 14 -13.275 10.356 -10.776 1.00 0.00 N ATOM 169 CA LEU A 14 -12.142 11.014 -11.418 1.00 0.00 C ATOM 170 C LEU A 14 -12.282 10.982 -12.936 1.00 0.00 C ATOM 171 O LEU A 14 -12.379 12.025 -13.583 1.00 0.00 O ATOM 172 CB LEU A 14 -10.833 10.341 -11.001 1.00 0.00 C ATOM 173 CG LEU A 14 -9.592 11.233 -10.993 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.327 10.390 -11.027 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.622 12.199 -12.169 1.00 0.00 C ATOM 0 H LEU A 14 -13.023 9.742 -10.001 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.128 12.055 -11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.964 9.926 -10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.649 9.503 -11.673 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.592 11.813 -10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.454 11.043 -11.021 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.300 9.739 -10.153 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.319 9.782 -11.932 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.731 12.826 -12.147 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.647 11.636 -13.102 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.510 12.828 -12.101 1.00 0.00 H new ATOM 187 N HIS A 15 -12.293 9.778 -13.499 1.00 0.00 N ATOM 188 CA HIS A 15 -12.425 9.610 -14.942 1.00 0.00 C ATOM 189 C HIS A 15 -13.662 10.335 -15.463 1.00 0.00 C ATOM 190 O HIS A 15 -13.553 11.304 -16.214 1.00 0.00 O ATOM 191 CB HIS A 15 -12.501 8.125 -15.299 1.00 0.00 C ATOM 192 CG HIS A 15 -12.419 7.858 -16.771 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.281 8.087 -17.515 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.342 7.377 -17.636 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.507 7.759 -18.774 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.751 7.325 -18.875 1.00 0.00 N ATOM 0 H HIS A 15 -12.212 8.905 -12.978 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.545 10.045 -15.415 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.691 7.597 -14.797 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.435 7.715 -14.915 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.355 7.088 -17.397 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.796 7.833 -19.584 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.199 7.004 -19.733 1.00 0.00 H new ATOM 204 N GLU A 16 -14.835 9.858 -15.060 1.00 0.00 N ATOM 205 CA GLU A 16 -16.092 10.461 -15.489 1.00 0.00 C ATOM 206 C GLU A 16 -16.003 11.984 -15.458 1.00 0.00 C ATOM 207 O GLU A 16 -16.571 12.667 -16.310 1.00 0.00 O ATOM 208 CB GLU A 16 -17.241 9.988 -14.595 1.00 0.00 C ATOM 209 CG GLU A 16 -17.653 8.548 -14.846 1.00 0.00 C ATOM 210 CD GLU A 16 -18.545 8.399 -16.063 1.00 0.00 C ATOM 211 OE1 GLU A 16 -18.017 8.453 -17.194 1.00 0.00 O ATOM 212 OE2 GLU A 16 -19.769 8.230 -15.886 1.00 0.00 O ATOM 0 H GLU A 16 -14.942 9.057 -14.438 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.285 10.146 -16.515 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.946 10.096 -13.551 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.103 10.636 -14.752 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.760 7.937 -14.978 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.175 8.165 -13.969 1.00 0.00 H new ATOM 219 N TYR A 17 -15.287 12.509 -14.470 1.00 0.00 N ATOM 220 CA TYR A 17 -15.125 13.951 -14.326 1.00 0.00 C ATOM 221 C TYR A 17 -14.193 14.505 -15.398 1.00 0.00 C ATOM 222 O TYR A 17 -14.537 15.447 -16.110 1.00 0.00 O ATOM 223 CB TYR A 17 -14.580 14.288 -12.937 1.00 0.00 C ATOM 224 CG TYR A 17 -13.915 15.643 -12.860 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.658 16.791 -12.611 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.543 15.777 -13.034 1.00 0.00 C ATOM 227 CE1 TYR A 17 -14.054 18.031 -12.541 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.930 17.013 -12.964 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.690 18.137 -12.718 1.00 0.00 C ATOM 230 OH TYR A 17 -12.085 19.371 -12.647 1.00 0.00 O ATOM 0 H TYR A 17 -14.810 11.958 -13.757 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.104 14.414 -14.447 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.397 14.252 -12.217 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.862 13.523 -12.642 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.726 16.712 -12.470 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.945 14.899 -13.228 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.647 18.913 -12.349 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.862 17.098 -13.101 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.121 19.272 -12.793 1.00 0.00 H new ATOM 240 N GLY A 18 -13.008 13.911 -15.508 1.00 0.00 N ATOM 241 CA GLY A 18 -12.043 14.357 -16.496 1.00 0.00 C ATOM 242 C GLY A 18 -12.702 14.839 -17.773 1.00 0.00 C ATOM 243 O GLY A 18 -12.443 15.952 -18.231 1.00 0.00 O ATOM 0 H GLY A 18 -12.699 13.129 -14.930 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.442 15.163 -16.074 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.361 13.539 -16.729 1.00 0.00 H new ATOM 247 N MET A 19 -13.554 13.999 -18.351 1.00 0.00 N ATOM 248 CA MET A 19 -14.251 14.346 -19.584 1.00 0.00 C ATOM 249 C MET A 19 -14.763 15.782 -19.534 1.00 0.00 C ATOM 250 O MET A 19 -14.521 16.571 -20.448 1.00 0.00 O ATOM 251 CB MET A 19 -15.417 13.385 -19.824 1.00 0.00 C ATOM 252 CG MET A 19 -14.999 11.925 -19.884 1.00 0.00 C ATOM 253 SD MET A 19 -16.405 10.797 -19.825 1.00 0.00 S ATOM 254 CE MET A 19 -15.580 9.219 -20.017 1.00 0.00 C ATOM 0 H MET A 19 -13.778 13.074 -17.986 1.00 0.00 H new ATOM 0 HA MET A 19 -13.543 14.260 -20.408 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.151 13.512 -19.028 1.00 0.00 H new ATOM 0 HB3 MET A 19 -15.910 13.652 -20.759 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.436 11.750 -20.801 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.329 11.708 -19.052 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.250 8.418 -19.705 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.306 9.076 -21.062 1.00 0.00 H new ATOM 0 HE3 MET A 19 -14.681 9.201 -19.401 1.00 0.00 H new ATOM 264 N LYS A 20 -15.471 16.116 -18.460 1.00 0.00 N ATOM 265 CA LYS A 20 -16.016 17.458 -18.289 1.00 0.00 C ATOM 266 C LYS A 20 -14.974 18.516 -18.632 1.00 0.00 C ATOM 267 O LYS A 20 -15.221 19.406 -19.447 1.00 0.00 O ATOM 268 CB LYS A 20 -16.504 17.653 -16.852 1.00 0.00 C ATOM 269 CG LYS A 20 -17.791 16.910 -16.540 1.00 0.00 C ATOM 270 CD LYS A 20 -18.658 17.683 -15.560 1.00 0.00 C ATOM 271 CE LYS A 20 -17.962 17.859 -14.219 1.00 0.00 C ATOM 272 NZ LYS A 20 -18.687 18.817 -13.339 1.00 0.00 N ATOM 0 H LYS A 20 -15.681 15.475 -17.695 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.859 17.570 -18.971 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.726 17.320 -16.165 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.655 18.717 -16.670 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.346 16.739 -17.462 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.555 15.930 -16.124 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.898 18.661 -15.978 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.602 17.158 -15.415 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.886 16.893 -13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.944 18.214 -14.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.181 18.909 -12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.737 19.746 -13.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.650 18.466 -13.162 1.00 0.00 H new ATOM 286 N THR A 21 -13.805 18.414 -18.006 1.00 0.00 N ATOM 287 CA THR A 21 -12.725 19.363 -18.246 1.00 0.00 C ATOM 288 C THR A 21 -11.895 18.957 -19.458 1.00 0.00 C ATOM 289 O THR A 21 -10.706 19.268 -19.543 1.00 0.00 O ATOM 290 CB THR A 21 -11.799 19.480 -17.020 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.132 18.235 -16.789 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.588 19.877 -15.782 1.00 0.00 C ATOM 0 H THR A 21 -13.583 17.684 -17.329 1.00 0.00 H new ATOM 0 HA THR A 21 -13.190 20.330 -18.436 1.00 0.00 H new ATOM 0 HB THR A 21 -11.060 20.255 -17.223 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.621 17.514 -17.237 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.913 19.953 -14.929 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.070 20.840 -15.951 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.347 19.122 -15.577 1.00 0.00 H new ATOM 300 N LYS A 22 -12.528 18.260 -20.396 1.00 0.00 N ATOM 301 CA LYS A 22 -11.849 17.813 -21.606 1.00 0.00 C ATOM 302 C LYS A 22 -10.471 17.247 -21.280 1.00 0.00 C ATOM 303 O LYS A 22 -9.557 17.300 -22.102 1.00 0.00 O ATOM 304 CB LYS A 22 -11.715 18.970 -22.599 1.00 0.00 C ATOM 305 CG LYS A 22 -13.038 19.633 -22.943 1.00 0.00 C ATOM 306 CD LYS A 22 -13.951 18.690 -23.707 1.00 0.00 C ATOM 307 CE LYS A 22 -15.215 19.395 -24.175 1.00 0.00 C ATOM 308 NZ LYS A 22 -15.901 18.642 -25.261 1.00 0.00 N ATOM 0 H LYS A 22 -13.511 17.993 -20.341 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.449 17.023 -22.057 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.041 19.718 -22.183 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.255 18.600 -23.515 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.532 19.958 -22.027 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.854 20.526 -23.540 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.419 18.285 -24.568 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.218 17.846 -23.071 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.896 19.518 -23.332 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.963 20.395 -24.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.757 19.155 -25.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.261 18.547 -26.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.164 17.697 -24.915 1.00 0.00 H new ATOM 322 N ASN A 23 -10.329 16.705 -20.074 1.00 0.00 N ATOM 323 CA ASN A 23 -9.062 16.128 -19.640 1.00 0.00 C ATOM 324 C ASN A 23 -9.285 14.793 -18.937 1.00 0.00 C ATOM 325 O ASN A 23 -9.849 14.742 -17.843 1.00 0.00 O ATOM 326 CB ASN A 23 -8.332 17.095 -18.704 1.00 0.00 C ATOM 327 CG ASN A 23 -8.023 18.421 -19.370 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.651 18.468 -20.543 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.175 19.508 -18.623 1.00 0.00 N ATOM 0 H ASN A 23 -11.075 16.654 -19.381 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.448 15.955 -20.524 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.943 17.270 -17.818 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.403 16.637 -18.365 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.981 20.429 -19.017 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.486 19.422 -17.655 1.00 0.00 H new ATOM 336 N ILE A 24 -8.838 13.714 -19.571 1.00 0.00 N ATOM 337 CA ILE A 24 -8.986 12.379 -19.006 1.00 0.00 C ATOM 338 C ILE A 24 -7.759 11.988 -18.190 1.00 0.00 C ATOM 339 O ILE A 24 -6.618 12.239 -18.579 1.00 0.00 O ATOM 340 CB ILE A 24 -9.216 11.325 -20.105 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.471 11.663 -20.912 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.332 9.937 -19.491 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.706 11.850 -20.059 1.00 0.00 C ATOM 0 H ILE A 24 -8.370 13.739 -20.477 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.859 12.407 -18.353 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.360 11.332 -20.780 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.292 12.574 -21.482 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.655 10.867 -21.633 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.494 9.203 -20.280 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.413 9.698 -18.956 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.172 9.915 -18.797 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.557 12.087 -20.698 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.910 10.932 -19.508 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.542 12.666 -19.355 1.00 0.00 H new ATOM 355 N PRO A 25 -7.996 11.355 -17.031 1.00 0.00 N ATOM 356 CA PRO A 25 -6.922 10.913 -16.137 1.00 0.00 C ATOM 357 C PRO A 25 -6.123 9.752 -16.720 1.00 0.00 C ATOM 358 O PRO A 25 -6.632 8.639 -16.851 1.00 0.00 O ATOM 359 CB PRO A 25 -7.669 10.468 -14.878 1.00 0.00 C ATOM 360 CG PRO A 25 -9.031 10.100 -15.356 1.00 0.00 C ATOM 361 CD PRO A 25 -9.330 11.023 -16.505 1.00 0.00 C ATOM 0 HA PRO A 25 -6.190 11.701 -15.959 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.174 9.621 -14.403 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.712 11.268 -14.139 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.065 9.058 -15.674 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.768 10.215 -14.561 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.950 10.538 -17.259 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.866 11.914 -16.176 1.00 0.00 H new ATOM 369 N VAL A 26 -4.868 10.019 -17.069 1.00 0.00 N ATOM 370 CA VAL A 26 -3.998 8.996 -17.637 1.00 0.00 C ATOM 371 C VAL A 26 -3.409 8.108 -16.546 1.00 0.00 C ATOM 372 O VAL A 26 -3.129 8.570 -15.440 1.00 0.00 O ATOM 373 CB VAL A 26 -2.850 9.623 -18.449 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.393 10.631 -19.451 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.836 10.275 -17.521 1.00 0.00 C ATOM 0 H VAL A 26 -4.431 10.935 -16.968 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.614 8.390 -18.302 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.345 8.832 -19.003 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.567 11.064 -20.016 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.078 10.131 -20.136 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.924 11.422 -18.921 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.031 10.713 -18.112 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.325 11.056 -16.938 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.424 9.524 -16.847 1.00 0.00 H new ATOM 385 N TYR A 27 -3.223 6.833 -16.866 1.00 0.00 N ATOM 386 CA TYR A 27 -2.669 5.879 -15.913 1.00 0.00 C ATOM 387 C TYR A 27 -1.525 5.086 -16.538 1.00 0.00 C ATOM 388 O TYR A 27 -1.717 4.367 -17.518 1.00 0.00 O ATOM 389 CB TYR A 27 -3.758 4.923 -15.423 1.00 0.00 C ATOM 390 CG TYR A 27 -4.875 5.612 -14.672 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.838 6.353 -15.345 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.967 5.521 -13.288 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.859 6.985 -14.662 1.00 0.00 C ATOM 394 CE2 TYR A 27 -5.986 6.148 -12.597 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.929 6.879 -13.289 1.00 0.00 C ATOM 396 OH TYR A 27 -7.946 7.505 -12.605 1.00 0.00 O ATOM 0 H TYR A 27 -3.448 6.436 -17.778 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.278 6.439 -15.064 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.178 4.395 -16.279 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.306 4.171 -14.776 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.788 6.436 -16.421 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.229 4.950 -12.743 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.598 7.559 -15.201 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.044 6.066 -11.522 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.645 6.853 -12.389 1.00 0.00 H new ATOM 406 N GLU A 28 -0.334 5.224 -15.963 1.00 0.00 N ATOM 407 CA GLU A 28 0.841 4.521 -16.464 1.00 0.00 C ATOM 408 C GLU A 28 1.651 3.928 -15.314 1.00 0.00 C ATOM 409 O GLU A 28 1.924 4.602 -14.321 1.00 0.00 O ATOM 410 CB GLU A 28 1.718 5.469 -17.284 1.00 0.00 C ATOM 411 CG GLU A 28 1.401 5.460 -18.770 1.00 0.00 C ATOM 412 CD GLU A 28 1.835 4.176 -19.451 1.00 0.00 C ATOM 413 OE1 GLU A 28 1.153 3.147 -19.265 1.00 0.00 O ATOM 414 OE2 GLU A 28 2.855 4.201 -20.170 1.00 0.00 O ATOM 0 H GLU A 28 -0.158 5.816 -15.151 1.00 0.00 H new ATOM 0 HA GLU A 28 0.501 3.707 -17.104 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.598 6.483 -16.902 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.764 5.196 -17.143 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.329 5.597 -18.910 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.895 6.306 -19.248 1.00 0.00 H new ATOM 421 N CYS A 29 2.031 2.664 -15.458 1.00 0.00 N ATOM 422 CA CYS A 29 2.809 1.978 -14.431 1.00 0.00 C ATOM 423 C CYS A 29 4.295 1.997 -14.772 1.00 0.00 C ATOM 424 O CYS A 29 4.740 1.308 -15.689 1.00 0.00 O ATOM 425 CB CYS A 29 2.327 0.535 -14.277 1.00 0.00 C ATOM 426 SG CYS A 29 3.550 -0.577 -13.543 1.00 0.00 S ATOM 0 H CYS A 29 1.814 2.093 -16.275 1.00 0.00 H new ATOM 0 HA CYS A 29 2.665 2.504 -13.488 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.428 0.527 -13.660 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.044 0.151 -15.257 1.00 0.00 H new ATOM 0 HG CYS A 29 2.947 -1.449 -12.791 1.00 0.00 H new ATOM 432 N GLU A 30 5.057 2.792 -14.027 1.00 0.00 N ATOM 433 CA GLU A 30 6.494 2.903 -14.253 1.00 0.00 C ATOM 434 C GLU A 30 7.244 1.784 -13.537 1.00 0.00 C ATOM 435 O GLU A 30 7.949 0.994 -14.166 1.00 0.00 O ATOM 436 CB GLU A 30 7.004 4.263 -13.773 1.00 0.00 C ATOM 437 CG GLU A 30 6.348 5.441 -14.472 1.00 0.00 C ATOM 438 CD GLU A 30 6.651 5.481 -15.957 1.00 0.00 C ATOM 439 OE1 GLU A 30 6.223 4.554 -16.675 1.00 0.00 O ATOM 440 OE2 GLU A 30 7.316 6.440 -16.401 1.00 0.00 O ATOM 0 H GLU A 30 4.704 3.368 -13.263 1.00 0.00 H new ATOM 0 HA GLU A 30 6.677 2.812 -15.324 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.833 4.347 -12.700 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.082 4.313 -13.929 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.269 5.390 -14.326 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.688 6.368 -14.010 1.00 0.00 H new ATOM 447 N ARG A 31 7.089 1.724 -12.219 1.00 0.00 N ATOM 448 CA ARG A 31 7.753 0.703 -11.417 1.00 0.00 C ATOM 449 C ARG A 31 6.847 -0.509 -11.221 1.00 0.00 C ATOM 450 O ARG A 31 5.739 -0.390 -10.698 1.00 0.00 O ATOM 451 CB ARG A 31 8.158 1.276 -10.057 1.00 0.00 C ATOM 452 CG ARG A 31 8.979 0.316 -9.212 1.00 0.00 C ATOM 453 CD ARG A 31 9.610 1.022 -8.022 1.00 0.00 C ATOM 454 NE ARG A 31 10.860 0.389 -7.610 1.00 0.00 N ATOM 455 CZ ARG A 31 11.548 0.753 -6.533 1.00 0.00 C ATOM 456 NH1 ARG A 31 11.109 1.740 -5.764 1.00 0.00 N ATOM 457 NH2 ARG A 31 12.677 0.129 -6.224 1.00 0.00 N ATOM 0 H ARG A 31 6.509 2.370 -11.683 1.00 0.00 H new ATOM 0 HA ARG A 31 8.648 0.383 -11.950 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.731 2.190 -10.213 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.259 1.553 -9.507 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.343 -0.496 -8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.760 -0.134 -9.825 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.799 2.065 -8.277 1.00 0.00 H new ATOM 0 HD3 ARG A 31 8.910 1.020 -7.186 1.00 0.00 H new ATOM 0 HE ARG A 31 11.225 -0.374 -8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.241 2.222 -5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.639 2.017 -4.938 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.018 -0.631 -6.813 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.205 0.409 -5.397 1.00 0.00 H new ATOM 471 N SER A 32 7.327 -1.674 -11.644 1.00 0.00 N ATOM 472 CA SER A 32 6.559 -2.907 -11.519 1.00 0.00 C ATOM 473 C SER A 32 7.423 -4.031 -10.956 1.00 0.00 C ATOM 474 O SER A 32 8.317 -4.540 -11.632 1.00 0.00 O ATOM 475 CB SER A 32 5.990 -3.319 -12.878 1.00 0.00 C ATOM 476 OG SER A 32 5.249 -4.523 -12.778 1.00 0.00 O ATOM 0 H SER A 32 8.244 -1.790 -12.076 1.00 0.00 H new ATOM 0 HA SER A 32 5.736 -2.724 -10.828 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.350 -2.525 -13.263 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.803 -3.447 -13.592 1.00 0.00 H new ATOM 0 HG SER A 32 4.295 -4.330 -12.888 1.00 0.00 H new ATOM 482 N ASP A 33 7.150 -4.413 -9.713 1.00 0.00 N ATOM 483 CA ASP A 33 7.902 -5.477 -9.057 1.00 0.00 C ATOM 484 C ASP A 33 7.011 -6.686 -8.790 1.00 0.00 C ATOM 485 O ASP A 33 5.959 -6.568 -8.160 1.00 0.00 O ATOM 486 CB ASP A 33 8.504 -4.971 -7.745 1.00 0.00 C ATOM 487 CG ASP A 33 9.798 -5.678 -7.392 1.00 0.00 C ATOM 488 OD1 ASP A 33 9.958 -6.854 -7.781 1.00 0.00 O ATOM 489 OD2 ASP A 33 10.652 -5.054 -6.727 1.00 0.00 O ATOM 0 H ASP A 33 6.414 -4.002 -9.139 1.00 0.00 H new ATOM 0 HA ASP A 33 8.709 -5.783 -9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.688 -3.899 -7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.784 -5.113 -6.939 1.00 0.00 H new ATOM 494 N VAL A 34 7.438 -7.848 -9.273 1.00 0.00 N ATOM 495 CA VAL A 34 6.680 -9.079 -9.087 1.00 0.00 C ATOM 496 C VAL A 34 7.467 -10.090 -8.261 1.00 0.00 C ATOM 497 O VAL A 34 8.444 -10.668 -8.737 1.00 0.00 O ATOM 498 CB VAL A 34 6.305 -9.717 -10.437 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.207 -8.915 -11.120 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.530 -9.829 -11.332 1.00 0.00 C ATOM 0 H VAL A 34 8.306 -7.963 -9.797 1.00 0.00 H new ATOM 0 HA VAL A 34 5.768 -8.811 -8.554 1.00 0.00 H new ATOM 0 HB VAL A 34 5.926 -10.722 -10.251 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.955 -9.381 -12.073 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.323 -8.892 -10.482 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.555 -7.897 -11.295 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.246 -10.282 -12.282 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.941 -8.836 -11.512 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.282 -10.450 -10.844 1.00 0.00 H new ATOM 510 N GLN A 35 7.035 -10.298 -7.021 1.00 0.00 N ATOM 511 CA GLN A 35 7.701 -11.240 -6.129 1.00 0.00 C ATOM 512 C GLN A 35 6.688 -12.162 -5.457 1.00 0.00 C ATOM 513 O GLN A 35 6.943 -13.353 -5.276 1.00 0.00 O ATOM 514 CB GLN A 35 8.505 -10.488 -5.068 1.00 0.00 C ATOM 515 CG GLN A 35 9.829 -9.944 -5.580 1.00 0.00 C ATOM 516 CD GLN A 35 10.761 -9.524 -4.460 1.00 0.00 C ATOM 517 OE1 GLN A 35 10.437 -8.639 -3.667 1.00 0.00 O ATOM 518 NE2 GLN A 35 11.925 -10.158 -4.389 1.00 0.00 N ATOM 0 H GLN A 35 6.228 -9.827 -6.612 1.00 0.00 H new ATOM 0 HA GLN A 35 8.380 -11.849 -6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.905 -9.661 -4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.697 -11.156 -4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.319 -10.704 -6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.639 -9.089 -6.229 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.152 -10.885 -5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.593 -9.918 -3.656 1.00 0.00 H new ATOM 527 N ILE A 36 5.540 -11.603 -5.090 1.00 0.00 N ATOM 528 CA ILE A 36 4.489 -12.376 -4.439 1.00 0.00 C ATOM 529 C ILE A 36 3.204 -12.358 -5.260 1.00 0.00 C ATOM 530 O ILE A 36 3.141 -11.733 -6.319 1.00 0.00 O ATOM 531 CB ILE A 36 4.189 -11.841 -3.026 1.00 0.00 C ATOM 532 CG1 ILE A 36 3.541 -10.457 -3.108 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.465 -11.785 -2.199 1.00 0.00 C ATOM 534 CD1 ILE A 36 4.497 -9.366 -3.537 1.00 0.00 C ATOM 0 H ILE A 36 5.314 -10.619 -5.232 1.00 0.00 H new ATOM 0 HA ILE A 36 4.854 -13.400 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 36 3.491 -12.521 -2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.708 -10.496 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.125 -10.201 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.237 -11.405 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.890 -12.786 -2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.184 -11.124 -2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.969 -8.413 -3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.317 -9.299 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.894 -9.598 -4.525 1.00 0.00 H new ATOM 546 N HIS A 37 2.182 -13.047 -4.764 1.00 0.00 N ATOM 547 CA HIS A 37 0.896 -13.109 -5.451 1.00 0.00 C ATOM 548 C HIS A 37 0.476 -11.726 -5.941 1.00 0.00 C ATOM 549 O HIS A 37 0.214 -11.530 -7.128 1.00 0.00 O ATOM 550 CB HIS A 37 -0.175 -13.682 -4.523 1.00 0.00 C ATOM 551 CG HIS A 37 -0.218 -13.022 -3.179 1.00 0.00 C ATOM 552 ND1 HIS A 37 -1.266 -12.228 -2.764 1.00 0.00 N ATOM 553 CD2 HIS A 37 0.665 -13.043 -2.154 1.00 0.00 C ATOM 554 CE1 HIS A 37 -1.025 -11.788 -1.542 1.00 0.00 C ATOM 555 NE2 HIS A 37 0.141 -12.269 -1.148 1.00 0.00 N ATOM 0 H HIS A 37 2.219 -13.570 -3.889 1.00 0.00 H new ATOM 0 HA HIS A 37 1.004 -13.764 -6.315 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.150 -13.580 -5.000 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.005 -14.749 -4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.607 -13.571 -2.131 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -1.671 -11.145 -0.963 1.00 0.00 H new ATOM 0 HE2 HIS A 37 0.580 -12.094 -0.244 1.00 0.00 H new ATOM 563 N VAL A 38 0.412 -10.771 -5.019 1.00 0.00 N ATOM 564 CA VAL A 38 0.023 -9.407 -5.357 1.00 0.00 C ATOM 565 C VAL A 38 1.244 -8.502 -5.481 1.00 0.00 C ATOM 566 O VAL A 38 1.805 -8.036 -4.489 1.00 0.00 O ATOM 567 CB VAL A 38 -0.934 -8.819 -4.303 1.00 0.00 C ATOM 568 CG1 VAL A 38 -0.236 -8.696 -2.957 1.00 0.00 C ATOM 569 CG2 VAL A 38 -1.466 -7.469 -4.762 1.00 0.00 C ATOM 0 H VAL A 38 0.625 -10.917 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.490 -9.453 -6.317 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.779 -9.497 -4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.928 -8.279 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.092 -9.681 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.629 -8.040 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.141 -7.068 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.634 -6.781 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.005 -7.591 -5.701 1.00 0.00 H new ATOM 579 N PRO A 39 1.667 -8.247 -6.728 1.00 0.00 N ATOM 580 CA PRO A 39 2.826 -7.394 -7.011 1.00 0.00 C ATOM 581 C PRO A 39 2.557 -5.927 -6.696 1.00 0.00 C ATOM 582 O PRO A 39 1.553 -5.589 -6.068 1.00 0.00 O ATOM 583 CB PRO A 39 3.048 -7.587 -8.513 1.00 0.00 C ATOM 584 CG PRO A 39 1.713 -7.977 -9.047 1.00 0.00 C ATOM 585 CD PRO A 39 1.046 -8.769 -7.957 1.00 0.00 C ATOM 0 HA PRO A 39 3.688 -7.661 -6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.409 -6.671 -8.981 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.793 -8.359 -8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.124 -7.097 -9.306 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.814 -8.571 -9.955 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.034 -8.621 -7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.221 -9.839 -8.073 1.00 0.00 H new ATOM 593 N THR A 40 3.460 -5.057 -7.137 1.00 0.00 N ATOM 594 CA THR A 40 3.321 -3.625 -6.901 1.00 0.00 C ATOM 595 C THR A 40 3.426 -2.841 -8.204 1.00 0.00 C ATOM 596 O THR A 40 4.429 -2.926 -8.913 1.00 0.00 O ATOM 597 CB THR A 40 4.390 -3.111 -5.918 1.00 0.00 C ATOM 598 OG1 THR A 40 5.686 -3.185 -6.521 1.00 0.00 O ATOM 599 CG2 THR A 40 4.376 -3.923 -4.632 1.00 0.00 C ATOM 0 H THR A 40 4.296 -5.319 -7.660 1.00 0.00 H new ATOM 0 HA THR A 40 2.334 -3.471 -6.465 1.00 0.00 H new ATOM 0 HB THR A 40 4.162 -2.073 -5.676 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.590 -3.263 -7.493 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.139 -3.542 -3.953 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.397 -3.841 -4.160 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.582 -4.969 -4.860 1.00 0.00 H new ATOM 607 N PHE A 41 2.385 -2.076 -8.515 1.00 0.00 N ATOM 608 CA PHE A 41 2.360 -1.276 -9.734 1.00 0.00 C ATOM 609 C PHE A 41 2.107 0.194 -9.414 1.00 0.00 C ATOM 610 O PHE A 41 1.017 0.569 -8.981 1.00 0.00 O ATOM 611 CB PHE A 41 1.283 -1.795 -10.688 1.00 0.00 C ATOM 612 CG PHE A 41 1.661 -3.072 -11.382 1.00 0.00 C ATOM 613 CD1 PHE A 41 1.924 -4.220 -10.652 1.00 0.00 C ATOM 614 CD2 PHE A 41 1.754 -3.125 -12.763 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.272 -5.398 -11.287 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.101 -4.299 -13.404 1.00 0.00 C ATOM 617 CZ PHE A 41 2.362 -5.437 -12.665 1.00 0.00 C ATOM 0 H PHE A 41 1.547 -1.993 -7.939 1.00 0.00 H new ATOM 0 HA PHE A 41 3.334 -1.362 -10.216 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.360 -1.954 -10.130 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.075 -1.032 -11.438 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.856 -4.194 -9.574 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.553 -2.238 -13.346 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.473 -6.286 -10.707 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.168 -4.327 -14.482 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.636 -6.355 -13.164 1.00 0.00 H new ATOM 627 N THR A 42 3.123 1.025 -9.631 1.00 0.00 N ATOM 628 CA THR A 42 3.012 2.453 -9.365 1.00 0.00 C ATOM 629 C THR A 42 2.414 3.190 -10.558 1.00 0.00 C ATOM 630 O THR A 42 3.093 3.427 -11.557 1.00 0.00 O ATOM 631 CB THR A 42 4.384 3.070 -9.030 1.00 0.00 C ATOM 632 OG1 THR A 42 4.791 2.674 -7.715 1.00 0.00 O ATOM 633 CG2 THR A 42 4.329 4.588 -9.113 1.00 0.00 C ATOM 0 H THR A 42 4.032 0.732 -9.990 1.00 0.00 H new ATOM 0 HA THR A 42 2.352 2.564 -8.505 1.00 0.00 H new ATOM 0 HB THR A 42 5.109 2.708 -9.759 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.664 3.069 -7.510 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.309 5.001 -8.873 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.047 4.887 -10.122 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.592 4.965 -8.404 1.00 0.00 H new ATOM 641 N PHE A 43 1.140 3.551 -10.446 1.00 0.00 N ATOM 642 CA PHE A 43 0.451 4.262 -11.517 1.00 0.00 C ATOM 643 C PHE A 43 0.540 5.771 -11.313 1.00 0.00 C ATOM 644 O PHE A 43 0.426 6.265 -10.191 1.00 0.00 O ATOM 645 CB PHE A 43 -1.016 3.830 -11.582 1.00 0.00 C ATOM 646 CG PHE A 43 -1.233 2.561 -12.356 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.405 2.593 -13.730 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.266 1.336 -11.709 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.606 1.428 -14.445 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.467 0.167 -12.418 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.636 0.213 -13.788 1.00 0.00 C ATOM 0 H PHE A 43 0.564 3.363 -9.625 1.00 0.00 H new ATOM 0 HA PHE A 43 0.939 4.011 -12.459 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.393 3.697 -10.568 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.602 4.629 -12.037 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.382 3.540 -14.249 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.133 1.294 -10.638 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.739 1.467 -15.516 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.492 -0.781 -11.902 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.791 -0.699 -14.345 1.00 0.00 H new ATOM 661 N ARG A 44 0.744 6.499 -12.406 1.00 0.00 N ATOM 662 CA ARG A 44 0.850 7.952 -12.349 1.00 0.00 C ATOM 663 C ARG A 44 -0.374 8.612 -12.977 1.00 0.00 C ATOM 664 O ARG A 44 -0.646 8.435 -14.165 1.00 0.00 O ATOM 665 CB ARG A 44 2.119 8.420 -13.063 1.00 0.00 C ATOM 666 CG ARG A 44 2.464 9.877 -12.798 1.00 0.00 C ATOM 667 CD ARG A 44 3.962 10.120 -12.895 1.00 0.00 C ATOM 668 NE ARG A 44 4.325 11.472 -12.477 1.00 0.00 N ATOM 669 CZ ARG A 44 5.538 11.809 -12.053 1.00 0.00 C ATOM 670 NH1 ARG A 44 6.500 10.899 -11.993 1.00 0.00 N ATOM 671 NH2 ARG A 44 5.791 13.060 -11.690 1.00 0.00 N ATOM 0 H ARG A 44 0.839 6.106 -13.342 1.00 0.00 H new ATOM 0 HA ARG A 44 0.902 8.247 -11.301 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.954 7.794 -12.749 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.997 8.273 -14.136 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.944 10.512 -13.515 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.111 10.161 -11.807 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.488 9.395 -12.274 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.290 9.958 -13.922 1.00 0.00 H new ATOM 0 HE ARG A 44 3.608 12.197 -12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.310 9.937 -12.273 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.430 11.161 -11.667 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.054 13.763 -11.736 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.723 13.318 -11.365 1.00 0.00 H new ATOM 685 N VAL A 45 -1.108 9.373 -12.172 1.00 0.00 N ATOM 686 CA VAL A 45 -2.303 10.060 -12.649 1.00 0.00 C ATOM 687 C VAL A 45 -2.010 11.525 -12.951 1.00 0.00 C ATOM 688 O VAL A 45 -1.586 12.279 -12.074 1.00 0.00 O ATOM 689 CB VAL A 45 -3.446 9.977 -11.620 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.281 11.047 -10.552 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.795 10.106 -12.311 1.00 0.00 C ATOM 0 H VAL A 45 -0.897 9.530 -11.187 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.613 9.558 -13.566 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.404 9.002 -11.134 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.098 10.973 -9.834 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.331 10.904 -10.037 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.296 12.032 -11.018 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.591 10.045 -11.569 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.850 11.066 -12.825 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.911 9.300 -13.035 1.00 0.00 H new ATOM 701 N THR A 46 -2.240 11.924 -14.198 1.00 0.00 N ATOM 702 CA THR A 46 -2.000 13.299 -14.617 1.00 0.00 C ATOM 703 C THR A 46 -3.271 13.935 -15.168 1.00 0.00 C ATOM 704 O THR A 46 -3.694 13.635 -16.285 1.00 0.00 O ATOM 705 CB THR A 46 -0.895 13.376 -15.688 1.00 0.00 C ATOM 706 OG1 THR A 46 0.355 12.954 -15.132 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.764 14.791 -16.230 1.00 0.00 C ATOM 0 H THR A 46 -2.592 11.314 -14.936 1.00 0.00 H new ATOM 0 HA THR A 46 -1.676 13.847 -13.732 1.00 0.00 H new ATOM 0 HB THR A 46 -1.169 12.714 -16.510 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.052 13.004 -15.819 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.022 14.820 -16.984 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.709 15.098 -16.678 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.511 15.470 -15.416 1.00 0.00 H new ATOM 715 N VAL A 47 -3.877 14.816 -14.379 1.00 0.00 N ATOM 716 CA VAL A 47 -5.100 15.496 -14.789 1.00 0.00 C ATOM 717 C VAL A 47 -4.872 16.997 -14.932 1.00 0.00 C ATOM 718 O VAL A 47 -4.723 17.710 -13.941 1.00 0.00 O ATOM 719 CB VAL A 47 -6.241 15.255 -13.783 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.467 16.072 -14.159 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.580 13.774 -13.707 1.00 0.00 C ATOM 0 H VAL A 47 -3.541 15.076 -13.452 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.384 15.080 -15.756 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.907 15.579 -12.797 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.262 15.888 -13.437 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.213 17.132 -14.157 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.806 15.782 -15.154 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.388 13.622 -12.992 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.894 13.422 -14.690 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.701 13.216 -13.385 1.00 0.00 H new ATOM 731 N GLY A 48 -4.847 17.470 -16.174 1.00 0.00 N ATOM 732 CA GLY A 48 -4.638 18.884 -16.425 1.00 0.00 C ATOM 733 C GLY A 48 -3.291 19.368 -15.926 1.00 0.00 C ATOM 734 O GLY A 48 -2.285 19.256 -16.627 1.00 0.00 O ATOM 0 H GLY A 48 -4.968 16.899 -17.011 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.716 19.075 -17.495 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.429 19.457 -15.941 1.00 0.00 H new ATOM 738 N ASP A 49 -3.270 19.909 -14.713 1.00 0.00 N ATOM 739 CA ASP A 49 -2.036 20.413 -14.121 1.00 0.00 C ATOM 740 C ASP A 49 -1.610 19.550 -12.937 1.00 0.00 C ATOM 741 O ASP A 49 -0.451 19.579 -12.521 1.00 0.00 O ATOM 742 CB ASP A 49 -2.216 21.864 -13.671 1.00 0.00 C ATOM 743 CG ASP A 49 -2.390 22.814 -14.840 1.00 0.00 C ATOM 744 OD1 ASP A 49 -1.812 22.546 -15.914 1.00 0.00 O ATOM 745 OD2 ASP A 49 -3.104 23.826 -14.680 1.00 0.00 O ATOM 0 H ASP A 49 -4.094 20.010 -14.120 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.254 20.370 -14.879 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.085 21.934 -13.017 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.350 22.170 -13.084 1.00 0.00 H new ATOM 750 N ILE A 50 -2.553 18.785 -12.399 1.00 0.00 N ATOM 751 CA ILE A 50 -2.275 17.914 -11.263 1.00 0.00 C ATOM 752 C ILE A 50 -1.650 16.600 -11.719 1.00 0.00 C ATOM 753 O ILE A 50 -2.105 15.983 -12.682 1.00 0.00 O ATOM 754 CB ILE A 50 -3.553 17.611 -10.460 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.240 18.912 -10.041 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.223 16.764 -9.240 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.728 18.765 -9.816 1.00 0.00 C ATOM 0 H ILE A 50 -3.517 18.750 -12.731 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.571 18.445 -10.622 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.238 17.049 -11.095 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.777 19.279 -9.125 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.070 19.667 -10.809 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.137 16.558 -8.682 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.774 15.824 -9.560 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.522 17.302 -8.602 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.148 19.727 -9.521 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.204 18.428 -10.737 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.906 18.034 -9.027 1.00 0.00 H new ATOM 769 N THR A 51 -0.603 16.175 -11.018 1.00 0.00 N ATOM 770 CA THR A 51 0.085 14.933 -11.349 1.00 0.00 C ATOM 771 C THR A 51 0.490 14.176 -10.089 1.00 0.00 C ATOM 772 O THR A 51 1.403 14.589 -9.373 1.00 0.00 O ATOM 773 CB THR A 51 1.340 15.197 -12.202 1.00 0.00 C ATOM 774 OG1 THR A 51 0.968 15.408 -13.568 1.00 0.00 O ATOM 775 CG2 THR A 51 2.312 14.030 -12.110 1.00 0.00 C ATOM 0 H THR A 51 -0.213 16.673 -10.218 1.00 0.00 H new ATOM 0 HA THR A 51 -0.615 14.327 -11.924 1.00 0.00 H new ATOM 0 HB THR A 51 1.832 16.090 -11.818 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.804 14.544 -14.000 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.190 14.239 -12.720 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.616 13.891 -11.073 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.827 13.123 -12.471 1.00 0.00 H new ATOM 783 N CYS A 52 -0.193 13.068 -9.825 1.00 0.00 N ATOM 784 CA CYS A 52 0.096 12.253 -8.650 1.00 0.00 C ATOM 785 C CYS A 52 0.394 10.811 -9.049 1.00 0.00 C ATOM 786 O CYS A 52 0.285 10.444 -10.219 1.00 0.00 O ATOM 787 CB CYS A 52 -1.080 12.293 -7.674 1.00 0.00 C ATOM 788 SG CYS A 52 -1.221 13.841 -6.750 1.00 0.00 S ATOM 0 H CYS A 52 -0.951 12.713 -10.408 1.00 0.00 H new ATOM 0 HA CYS A 52 0.978 12.665 -8.160 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.004 12.128 -8.228 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.980 11.469 -6.968 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.555 13.584 -5.520 1.00 0.00 H new ATOM 794 N THR A 53 0.771 9.998 -8.068 1.00 0.00 N ATOM 795 CA THR A 53 1.088 8.597 -8.316 1.00 0.00 C ATOM 796 C THR A 53 0.671 7.722 -7.139 1.00 0.00 C ATOM 797 O THR A 53 0.641 8.176 -5.996 1.00 0.00 O ATOM 798 CB THR A 53 2.592 8.399 -8.581 1.00 0.00 C ATOM 799 OG1 THR A 53 3.349 8.809 -7.437 1.00 0.00 O ATOM 800 CG2 THR A 53 3.036 9.193 -9.800 1.00 0.00 C ATOM 0 H THR A 53 0.864 10.285 -7.094 1.00 0.00 H new ATOM 0 HA THR A 53 0.529 8.299 -9.203 1.00 0.00 H new ATOM 0 HB THR A 53 2.768 7.341 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.304 8.678 -7.613 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.102 9.037 -9.967 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.479 8.858 -10.675 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.846 10.253 -9.633 1.00 0.00 H new ATOM 808 N GLY A 54 0.351 6.464 -7.426 1.00 0.00 N ATOM 809 CA GLY A 54 -0.059 5.546 -6.380 1.00 0.00 C ATOM 810 C GLY A 54 0.824 4.316 -6.309 1.00 0.00 C ATOM 811 O GLY A 54 0.693 3.403 -7.124 1.00 0.00 O ATOM 0 H GLY A 54 0.368 6.064 -8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.037 6.061 -5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.090 5.239 -6.554 1.00 0.00 H new ATOM 815 N GLU A 55 1.726 4.292 -5.334 1.00 0.00 N ATOM 816 CA GLU A 55 2.636 3.165 -5.163 1.00 0.00 C ATOM 817 C GLU A 55 2.305 2.387 -3.892 1.00 0.00 C ATOM 818 O GLU A 55 1.898 2.965 -2.886 1.00 0.00 O ATOM 819 CB GLU A 55 4.085 3.654 -5.112 1.00 0.00 C ATOM 820 CG GLU A 55 5.092 2.548 -4.847 1.00 0.00 C ATOM 821 CD GLU A 55 6.520 3.055 -4.813 1.00 0.00 C ATOM 822 OE1 GLU A 55 6.765 4.095 -4.167 1.00 0.00 O ATOM 823 OE2 GLU A 55 7.393 2.412 -5.433 1.00 0.00 O ATOM 0 H GLU A 55 1.847 5.039 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 55 2.515 2.500 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.330 4.138 -6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.177 4.411 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.858 2.069 -3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.000 1.785 -5.620 1.00 0.00 H new ATOM 830 N GLY A 56 2.484 1.071 -3.948 1.00 0.00 N ATOM 831 CA GLY A 56 2.199 0.234 -2.797 1.00 0.00 C ATOM 832 C GLY A 56 1.649 -1.123 -3.189 1.00 0.00 C ATOM 833 O GLY A 56 2.087 -2.152 -2.672 1.00 0.00 O ATOM 0 H GLY A 56 2.821 0.569 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.111 0.099 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.481 0.741 -2.152 1.00 0.00 H new ATOM 837 N THR A 57 0.685 -1.128 -4.104 1.00 0.00 N ATOM 838 CA THR A 57 0.073 -2.369 -4.562 1.00 0.00 C ATOM 839 C THR A 57 -0.059 -2.388 -6.081 1.00 0.00 C ATOM 840 O THR A 57 0.365 -1.455 -6.763 1.00 0.00 O ATOM 841 CB THR A 57 -1.319 -2.573 -3.935 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.371 -1.955 -2.644 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.643 -4.054 -3.807 1.00 0.00 C ATOM 0 H THR A 57 0.311 -0.286 -4.543 1.00 0.00 H new ATOM 0 HA THR A 57 0.728 -3.181 -4.246 1.00 0.00 H new ATOM 0 HB THR A 57 -2.058 -2.110 -4.589 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.412 -2.647 -1.951 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.631 -4.173 -3.362 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.632 -4.516 -4.794 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.899 -4.536 -3.173 1.00 0.00 H new ATOM 851 N SER A 58 -0.650 -3.457 -6.605 1.00 0.00 N ATOM 852 CA SER A 58 -0.835 -3.600 -8.045 1.00 0.00 C ATOM 853 C SER A 58 -2.124 -2.921 -8.497 1.00 0.00 C ATOM 854 O SER A 58 -2.846 -2.333 -7.691 1.00 0.00 O ATOM 855 CB SER A 58 -0.861 -5.079 -8.433 1.00 0.00 C ATOM 856 OG SER A 58 -1.904 -5.764 -7.762 1.00 0.00 O ATOM 0 H SER A 58 -1.009 -4.237 -6.054 1.00 0.00 H new ATOM 0 HA SER A 58 0.004 -3.116 -8.544 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.994 -5.173 -9.511 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.096 -5.539 -8.189 1.00 0.00 H new ATOM 0 HG SER A 58 -1.900 -6.707 -8.028 1.00 0.00 H new ATOM 862 N LYS A 59 -2.407 -3.005 -9.792 1.00 0.00 N ATOM 863 CA LYS A 59 -3.609 -2.401 -10.355 1.00 0.00 C ATOM 864 C LYS A 59 -4.772 -2.489 -9.372 1.00 0.00 C ATOM 865 O LYS A 59 -5.657 -1.633 -9.364 1.00 0.00 O ATOM 866 CB LYS A 59 -3.983 -3.090 -11.669 1.00 0.00 C ATOM 867 CG LYS A 59 -2.898 -3.010 -12.728 1.00 0.00 C ATOM 868 CD LYS A 59 -3.025 -4.134 -13.743 1.00 0.00 C ATOM 869 CE LYS A 59 -1.795 -4.223 -14.633 1.00 0.00 C ATOM 870 NZ LYS A 59 -1.844 -5.413 -15.528 1.00 0.00 N ATOM 0 H LYS A 59 -1.819 -3.486 -10.473 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.401 -1.349 -10.551 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.207 -4.138 -11.469 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.895 -2.638 -12.060 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.957 -2.049 -13.239 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.919 -3.058 -12.251 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.168 -5.081 -13.223 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.910 -3.972 -14.359 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.716 -3.318 -15.236 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.900 -4.272 -14.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.988 -5.439 -16.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.894 -6.278 -14.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.684 -5.354 -16.138 1.00 0.00 H new ATOM 884 N LYS A 60 -4.765 -3.529 -8.545 1.00 0.00 N ATOM 885 CA LYS A 60 -5.818 -3.728 -7.556 1.00 0.00 C ATOM 886 C LYS A 60 -6.036 -2.464 -6.732 1.00 0.00 C ATOM 887 O LYS A 60 -7.050 -1.780 -6.882 1.00 0.00 O ATOM 888 CB LYS A 60 -5.465 -4.897 -6.634 1.00 0.00 C ATOM 889 CG LYS A 60 -6.678 -5.643 -6.105 1.00 0.00 C ATOM 890 CD LYS A 60 -7.445 -4.812 -5.090 1.00 0.00 C ATOM 891 CE LYS A 60 -8.850 -5.352 -4.875 1.00 0.00 C ATOM 892 NZ LYS A 60 -9.750 -4.332 -4.269 1.00 0.00 N ATOM 0 H LYS A 60 -4.041 -4.248 -8.540 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.742 -3.958 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.827 -5.596 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.884 -4.522 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.336 -5.904 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.359 -6.578 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.907 -4.807 -4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.500 -3.778 -5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.263 -5.680 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.807 -6.228 -4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.698 -4.739 -4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.370 -4.038 -3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.812 -3.506 -4.898 1.00 0.00 H new ATOM 906 N LEU A 61 -5.080 -2.158 -5.862 1.00 0.00 N ATOM 907 CA LEU A 61 -5.167 -0.974 -5.014 1.00 0.00 C ATOM 908 C LEU A 61 -4.444 0.208 -5.653 1.00 0.00 C ATOM 909 O LEU A 61 -5.012 1.290 -5.800 1.00 0.00 O ATOM 910 CB LEU A 61 -4.573 -1.265 -3.635 1.00 0.00 C ATOM 911 CG LEU A 61 -3.920 -0.080 -2.922 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.766 1.173 -3.083 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.706 -0.397 -1.449 1.00 0.00 C ATOM 0 H LEU A 61 -4.235 -2.713 -5.725 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.220 -0.715 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.364 -1.657 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.829 -2.054 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.947 0.103 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.285 2.005 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.867 1.410 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.753 1.003 -2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.240 0.457 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.667 -0.607 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.057 -1.268 -1.355 1.00 0.00 H new ATOM 925 N ALA A 62 -3.189 -0.008 -6.032 1.00 0.00 N ATOM 926 CA ALA A 62 -2.390 1.037 -6.659 1.00 0.00 C ATOM 927 C ALA A 62 -3.263 1.976 -7.484 1.00 0.00 C ATOM 928 O ALA A 62 -3.209 3.195 -7.322 1.00 0.00 O ATOM 929 CB ALA A 62 -1.305 0.421 -7.530 1.00 0.00 C ATOM 0 H ALA A 62 -2.704 -0.898 -5.916 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.919 1.622 -5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.716 1.213 -7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.656 -0.203 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.765 -0.189 -8.307 1.00 0.00 H new ATOM 935 N LYS A 63 -4.069 1.400 -8.371 1.00 0.00 N ATOM 936 CA LYS A 63 -4.955 2.184 -9.222 1.00 0.00 C ATOM 937 C LYS A 63 -5.885 3.055 -8.384 1.00 0.00 C ATOM 938 O LYS A 63 -5.969 4.267 -8.588 1.00 0.00 O ATOM 939 CB LYS A 63 -5.779 1.262 -10.124 1.00 0.00 C ATOM 940 CG LYS A 63 -6.157 1.889 -11.454 1.00 0.00 C ATOM 941 CD LYS A 63 -5.105 1.618 -12.517 1.00 0.00 C ATOM 942 CE LYS A 63 -5.518 2.185 -13.867 1.00 0.00 C ATOM 943 NZ LYS A 63 -6.456 1.279 -14.586 1.00 0.00 N ATOM 0 H LYS A 63 -4.126 0.392 -8.518 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.338 2.834 -9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.213 0.349 -10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.688 0.971 -9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.118 1.495 -11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.280 2.965 -11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.156 2.058 -12.211 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.944 0.544 -12.606 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.990 3.157 -13.724 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.631 2.349 -14.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.713 1.701 -15.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.997 0.360 -14.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.314 1.143 -14.014 1.00 0.00 H new ATOM 957 N HIS A 64 -6.580 2.431 -7.438 1.00 0.00 N ATOM 958 CA HIS A 64 -7.503 3.151 -6.567 1.00 0.00 C ATOM 959 C HIS A 64 -6.824 4.366 -5.943 1.00 0.00 C ATOM 960 O HIS A 64 -7.408 5.448 -5.874 1.00 0.00 O ATOM 961 CB HIS A 64 -8.027 2.225 -5.469 1.00 0.00 C ATOM 962 CG HIS A 64 -9.408 2.570 -5.003 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.549 2.075 -5.600 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.829 3.364 -3.991 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.611 2.551 -4.976 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.202 3.336 -3.996 1.00 0.00 N ATOM 0 H HIS A 64 -6.522 1.429 -7.255 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.341 3.496 -7.172 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.022 1.199 -5.837 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.346 2.261 -4.619 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.202 3.917 -3.307 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.639 2.335 -5.225 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.808 3.840 -3.348 1.00 0.00 H new ATOM 974 N ARG A 65 -5.589 4.181 -5.490 1.00 0.00 N ATOM 975 CA ARG A 65 -4.832 5.262 -4.870 1.00 0.00 C ATOM 976 C ARG A 65 -4.552 6.375 -5.875 1.00 0.00 C ATOM 977 O ARG A 65 -4.780 7.551 -5.593 1.00 0.00 O ATOM 978 CB ARG A 65 -3.515 4.730 -4.302 1.00 0.00 C ATOM 979 CG ARG A 65 -3.631 4.213 -2.877 1.00 0.00 C ATOM 980 CD ARG A 65 -2.387 3.442 -2.461 1.00 0.00 C ATOM 981 NE ARG A 65 -1.392 4.307 -1.834 1.00 0.00 N ATOM 982 CZ ARG A 65 -0.379 3.853 -1.104 1.00 0.00 C ATOM 983 NH1 ARG A 65 -0.228 2.550 -0.911 1.00 0.00 N ATOM 984 NH2 ARG A 65 0.486 4.703 -0.566 1.00 0.00 N ATOM 0 H ARG A 65 -5.091 3.292 -5.541 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.431 5.672 -4.057 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.151 3.927 -4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.769 5.524 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.786 5.050 -2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.505 3.568 -2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.667 2.649 -1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.949 2.961 -3.336 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.479 5.315 -1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.890 1.893 -1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.551 2.204 -0.350 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.374 5.706 -0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.263 4.353 -0.006 1.00 0.00 H new ATOM 998 N ALA A 66 -4.056 5.996 -7.048 1.00 0.00 N ATOM 999 CA ALA A 66 -3.746 6.961 -8.095 1.00 0.00 C ATOM 1000 C ALA A 66 -4.936 7.876 -8.367 1.00 0.00 C ATOM 1001 O ALA A 66 -4.805 9.100 -8.355 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.328 6.243 -9.369 1.00 0.00 C ATOM 0 H ALA A 66 -3.860 5.026 -7.297 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.916 7.579 -7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.100 6.977 -10.142 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.444 5.637 -9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.141 5.600 -9.708 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.095 7.274 -8.613 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.308 8.035 -8.887 1.00 0.00 C ATOM 1010 C ALA A 67 -7.761 8.809 -7.653 1.00 0.00 C ATOM 1011 O ALA A 67 -8.268 9.925 -7.761 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.415 7.109 -9.368 1.00 0.00 C ATOM 0 H ALA A 67 -6.220 6.262 -8.628 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.085 8.756 -9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.315 7.691 -9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.097 6.606 -10.281 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.628 6.366 -8.599 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.576 8.207 -6.482 1.00 0.00 N ATOM 1019 CA GLU A 68 -7.968 8.840 -5.229 1.00 0.00 C ATOM 1020 C GLU A 68 -7.230 10.161 -5.032 1.00 0.00 C ATOM 1021 O GLU A 68 -7.835 11.179 -4.700 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.688 7.905 -4.050 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.860 7.008 -3.693 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.674 6.308 -2.360 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.664 5.592 -2.201 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.540 6.477 -1.476 1.00 0.00 O ATOM 0 H GLU A 68 -7.158 7.283 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.038 9.045 -5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.825 7.283 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.420 8.503 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.772 7.604 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.993 6.261 -4.476 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.917 10.134 -5.238 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.096 11.329 -5.085 1.00 0.00 C ATOM 1035 C ALA A 69 -5.694 12.508 -5.845 1.00 0.00 C ATOM 1036 O ALA A 69 -6.127 13.490 -5.243 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.676 11.058 -5.561 1.00 0.00 C ATOM 0 H ALA A 69 -5.400 9.298 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.070 11.588 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.074 11.959 -5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.242 10.250 -4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.693 10.770 -6.612 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.715 12.403 -7.169 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.262 13.461 -8.011 1.00 0.00 C ATOM 1045 C ALA A 70 -7.522 14.057 -7.393 1.00 0.00 C ATOM 1046 O ALA A 70 -7.533 15.217 -6.979 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.556 12.927 -9.405 1.00 0.00 C ATOM 0 H ALA A 70 -5.360 11.596 -7.682 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.517 14.253 -8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.964 13.727 -10.023 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.635 12.555 -9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.280 12.115 -9.338 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.582 13.258 -7.336 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.847 13.707 -6.768 1.00 0.00 C ATOM 1055 C ILE A 71 -9.618 14.609 -5.560 1.00 0.00 C ATOM 1056 O ILE A 71 -9.883 15.810 -5.610 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.730 12.518 -6.347 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.979 11.592 -7.539 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -12.047 13.013 -5.770 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.836 10.391 -7.203 1.00 0.00 C ATOM 0 H ILE A 71 -8.590 12.296 -7.676 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.360 14.271 -7.547 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.208 11.953 -5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.460 12.160 -8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.021 11.247 -7.927 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.659 12.160 -5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.851 13.635 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.576 13.599 -6.522 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.971 9.779 -8.095 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.347 9.800 -6.428 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.808 10.727 -6.843 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.123 14.022 -4.476 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.856 14.773 -3.254 1.00 0.00 C ATOM 1074 C ASN A 72 -8.345 16.174 -3.577 1.00 0.00 C ATOM 1075 O ASN A 72 -8.691 17.143 -2.901 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.836 14.033 -2.388 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.492 13.077 -1.410 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -9.692 13.165 -1.150 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -7.705 12.157 -0.863 1.00 0.00 N ATOM 0 H ASN A 72 -8.898 13.029 -4.418 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.792 14.865 -2.702 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.152 13.478 -3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.237 14.758 -1.837 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.090 11.486 -0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.716 12.121 -1.108 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.521 16.272 -4.615 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.964 17.554 -5.029 1.00 0.00 C ATOM 1088 C ILE A 73 -7.977 18.359 -5.835 1.00 0.00 C ATOM 1089 O ILE A 73 -8.084 19.577 -5.679 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.687 17.367 -5.870 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.548 16.838 -4.997 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -5.291 18.680 -6.529 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.544 15.999 -5.757 1.00 0.00 C ATOM 0 H ILE A 73 -7.224 15.479 -5.184 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.713 18.098 -4.119 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.889 16.636 -6.653 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.031 17.681 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.968 16.242 -4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.387 18.532 -7.120 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.098 19.019 -7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.104 19.431 -5.761 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.765 15.658 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.047 15.136 -6.194 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.096 16.598 -6.550 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.721 17.673 -6.694 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.729 18.324 -7.524 1.00 0.00 C ATOM 1107 C LEU A 74 -10.794 18.994 -6.662 1.00 0.00 C ATOM 1108 O LEU A 74 -11.544 19.848 -7.135 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.381 17.306 -8.462 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.622 16.999 -9.753 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.153 16.733 -9.458 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.247 15.812 -10.470 1.00 0.00 C ATOM 0 H LEU A 74 -8.646 16.666 -6.835 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.234 19.092 -8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.518 16.374 -7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.374 17.670 -8.726 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.689 17.869 -10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.628 16.516 -10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.711 17.612 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.066 15.880 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.694 15.608 -11.387 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.212 14.936 -9.822 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.284 16.040 -10.715 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.854 18.603 -5.394 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.824 19.167 -4.464 1.00 0.00 C ATOM 1126 C LYS A 75 -11.269 20.419 -3.792 1.00 0.00 C ATOM 1127 O LYS A 75 -11.924 21.460 -3.761 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.206 18.132 -3.402 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.557 16.772 -3.978 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.378 15.668 -2.950 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.597 15.540 -2.051 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.501 14.357 -1.151 1.00 0.00 N ATOM 0 H LYS A 75 -10.241 17.897 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.714 19.443 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.378 18.018 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.056 18.506 -2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.589 16.780 -4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.927 16.569 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.199 14.721 -3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.497 15.875 -2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.703 16.444 -1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.494 15.457 -2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.351 14.305 -0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.425 13.491 -1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.659 14.448 -0.547 1.00 0.00 H new