USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 682 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 45 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.18) USER MOD Set 1.2: A 59 MET CE :methyl -129:sc= 0 (180deg=-0.568) USER MOD Set 2.1: A 35 HIS : no HE2:sc= 0.324 K(o=0.62,f=-2.2) USER MOD Set 2.2: B 199 CYS SG : rot 180:sc= 0.298 USER MOD Set 3.1: A 29 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.72) USER MOD Set 3.2: A 91 TYR OH : rot 18:sc= 0.00402 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -116:sc= 1.03 (180deg=-1.68!) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.08) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -86:sc= 1.28 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 151:sc= -0.0321 (180deg=-0.3) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.476 USER MOD Single : A 43 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.18) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= 1.2 (180deg=1.07) USER MOD Single : A 50 SER OG : rot 73:sc= 1.12 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.403 USER MOD Single : A 52 CYS SG : rot 77:sc= 1.28 USER MOD Single : A 53 GLN : amide:sc= -1.93! C(o=-1.9!,f=-5.6!) USER MOD Single : A 55 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.87) USER MOD Single : A 60 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.8) USER MOD Single : A 61 SER OG : rot -82:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= -0.0121 K(o=-0.012,f=-1.2) USER MOD Single : A 74 ASN : amide:sc= 0.0582 K(o=0.058,f=-2.7!) USER MOD Single : A 75 HIS : no HD1:sc= 0.476 K(o=0.48,f=-6.4!) USER MOD Single : A 76 THR OG1 : rot 68:sc= 1.22 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -168:sc= 0 (180deg=-0.166) USER MOD Single : A 92 GLN : amide:sc= 0.16 X(o=0.16,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0575 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.437 -5.894 -0.501 1.00 10.00 N ATOM 2 CA TYR A 21 12.015 -5.826 -0.816 1.00 10.00 C ATOM 3 C TYR A 21 11.173 -6.238 0.388 1.00 10.00 C ATOM 4 O TYR A 21 11.321 -7.342 0.915 1.00 10.00 O ATOM 5 CB TYR A 21 11.679 -6.724 -2.009 1.00 10.00 C ATOM 6 CG TYR A 21 12.261 -6.252 -3.324 1.00 10.00 C ATOM 7 CD1 TYR A 21 11.554 -5.390 -4.151 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.516 -6.676 -3.739 1.00 10.00 C ATOM 9 CE1 TYR A 21 12.083 -4.959 -5.353 1.00 10.00 C ATOM 10 CE2 TYR A 21 14.053 -6.251 -4.938 1.00 10.00 C ATOM 11 CZ TYR A 21 13.333 -5.394 -5.743 1.00 10.00 C ATOM 12 OH TYR A 21 13.866 -4.969 -6.941 1.00 10.00 O ATOM 0 HA TYR A 21 11.782 -4.793 -1.074 1.00 10.00 H new ATOM 0 HB2 TYR A 21 12.042 -7.731 -1.805 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.595 -6.789 -2.107 1.00 10.00 H new ATOM 0 HD1 TYR A 21 10.574 -5.050 -3.850 1.00 10.00 H new ATOM 0 HD2 TYR A 21 14.082 -7.350 -3.113 1.00 10.00 H new ATOM 0 HE1 TYR A 21 11.521 -4.286 -5.983 1.00 10.00 H new ATOM 0 HE2 TYR A 21 15.032 -6.588 -5.244 1.00 10.00 H new ATOM 0 HH TYR A 21 14.753 -5.367 -7.064 1.00 10.00 H new ATOM 22 N ILE A 22 10.296 -5.345 0.814 1.00 10.00 N ATOM 23 CA ILE A 22 9.422 -5.604 1.947 1.00 10.00 C ATOM 24 C ILE A 22 8.072 -6.093 1.446 1.00 10.00 C ATOM 25 O ILE A 22 7.421 -5.417 0.651 1.00 10.00 O ATOM 26 CB ILE A 22 9.216 -4.342 2.814 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.563 -3.724 3.202 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.405 -4.676 4.058 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.488 -4.677 3.928 1.00 10.00 C ATOM 0 H ILE A 22 10.170 -4.427 0.389 1.00 10.00 H new ATOM 0 HA ILE A 22 9.897 -6.365 2.566 1.00 10.00 H new ATOM 0 HB ILE A 22 8.662 -3.611 2.226 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.061 -3.366 2.301 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.384 -2.854 3.834 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.270 -3.775 4.657 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.431 -5.066 3.763 1.00 10.00 H new ATOM 0 HG23 ILE A 22 8.933 -5.427 4.646 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.420 -4.166 4.169 1.00 10.00 H new ATOM 0 HD12 ILE A 22 11.012 -5.016 4.848 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.699 -5.536 3.291 1.00 10.00 H new ATOM 41 N LYS A 23 7.663 -7.263 1.894 1.00 10.00 N ATOM 42 CA LYS A 23 6.401 -7.837 1.467 1.00 10.00 C ATOM 43 C LYS A 23 5.298 -7.544 2.476 1.00 10.00 C ATOM 44 O LYS A 23 5.294 -8.083 3.585 1.00 10.00 O ATOM 45 CB LYS A 23 6.554 -9.345 1.279 1.00 10.00 C ATOM 46 CG LYS A 23 5.533 -9.954 0.336 1.00 10.00 C ATOM 47 CD LYS A 23 5.785 -11.441 0.123 1.00 10.00 C ATOM 48 CE LYS A 23 5.413 -12.258 1.351 1.00 10.00 C ATOM 49 NZ LYS A 23 6.522 -12.345 2.342 1.00 10.00 N ATOM 0 H LYS A 23 8.187 -7.837 2.555 1.00 10.00 H new ATOM 0 HA LYS A 23 6.121 -7.382 0.517 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.554 -9.554 0.900 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.473 -9.832 2.251 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.531 -9.808 0.740 1.00 10.00 H new ATOM 0 HG3 LYS A 23 5.568 -9.437 -0.623 1.00 10.00 H new ATOM 0 HD2 LYS A 23 5.207 -11.789 -0.734 1.00 10.00 H new ATOM 0 HD3 LYS A 23 6.836 -11.601 -0.115 1.00 10.00 H new ATOM 0 HE2 LYS A 23 4.540 -11.813 1.828 1.00 10.00 H new ATOM 0 HE3 LYS A 23 5.129 -13.264 1.041 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 6.829 -13.334 2.434 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 7.322 -11.763 2.020 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 6.191 -11.998 3.265 1.00 10.00 H new ATOM 63 N LEU A 24 4.377 -6.678 2.086 1.00 10.00 N ATOM 64 CA LEU A 24 3.260 -6.313 2.937 1.00 10.00 C ATOM 65 C LEU A 24 2.019 -7.078 2.501 1.00 10.00 C ATOM 66 O LEU A 24 1.781 -7.257 1.304 1.00 10.00 O ATOM 67 CB LEU A 24 2.996 -4.806 2.878 1.00 10.00 C ATOM 68 CG LEU A 24 4.138 -3.922 3.387 1.00 10.00 C ATOM 69 CD1 LEU A 24 5.037 -3.488 2.241 1.00 10.00 C ATOM 70 CD2 LEU A 24 3.587 -2.711 4.123 1.00 10.00 C ATOM 0 H LEU A 24 4.383 -6.213 1.178 1.00 10.00 H new ATOM 0 HA LEU A 24 3.506 -6.573 3.967 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.779 -4.532 1.846 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.101 -4.587 3.461 1.00 10.00 H new ATOM 0 HG LEU A 24 4.737 -4.507 4.085 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.841 -2.861 2.627 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.463 -4.368 1.759 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.453 -2.923 1.514 1.00 10.00 H new ATOM 0 HD21 LEU A 24 4.413 -2.094 4.478 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.962 -2.127 3.447 1.00 10.00 H new ATOM 0 HD23 LEU A 24 2.990 -3.042 4.973 1.00 10.00 H new ATOM 82 N LYS A 25 1.243 -7.540 3.465 1.00 10.00 N ATOM 83 CA LYS A 25 0.040 -8.294 3.174 1.00 10.00 C ATOM 84 C LYS A 25 -1.187 -7.398 3.205 1.00 10.00 C ATOM 85 O LYS A 25 -1.614 -6.938 4.269 1.00 10.00 O ATOM 86 CB LYS A 25 -0.129 -9.440 4.175 1.00 10.00 C ATOM 87 CG LYS A 25 1.014 -10.444 4.152 1.00 10.00 C ATOM 88 CD LYS A 25 0.687 -11.686 4.967 1.00 10.00 C ATOM 89 CE LYS A 25 -0.485 -12.449 4.371 1.00 10.00 C ATOM 90 NZ LYS A 25 -0.651 -13.789 4.988 1.00 10.00 N ATOM 0 H LYS A 25 1.427 -7.405 4.459 1.00 10.00 H new ATOM 0 HA LYS A 25 0.141 -8.708 2.171 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.216 -9.024 5.179 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.063 -9.961 3.964 1.00 10.00 H new ATOM 0 HG2 LYS A 25 1.227 -10.730 3.122 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.917 -9.977 4.546 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.561 -12.335 5.010 1.00 10.00 H new ATOM 0 HD3 LYS A 25 0.452 -11.399 5.992 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.400 -11.872 4.507 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.336 -12.561 3.297 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -1.545 -14.212 4.665 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 0.142 -14.401 4.708 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -0.667 -13.695 6.024 1.00 10.00 H new ATOM 104 N VAL A 26 -1.738 -7.136 2.033 1.00 10.00 N ATOM 105 CA VAL A 26 -2.929 -6.315 1.922 1.00 10.00 C ATOM 106 C VAL A 26 -4.154 -7.213 1.961 1.00 10.00 C ATOM 107 O VAL A 26 -4.450 -7.916 0.994 1.00 10.00 O ATOM 108 CB VAL A 26 -2.951 -5.483 0.621 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.889 -4.291 0.763 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.548 -5.024 0.242 1.00 10.00 C ATOM 0 H VAL A 26 -1.378 -7.481 1.143 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.929 -5.616 2.759 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.324 -6.120 -0.181 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.891 -3.717 -0.164 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.898 -4.645 0.973 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.550 -3.657 1.582 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.592 -4.440 -0.678 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.138 -4.409 1.043 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.909 -5.894 0.089 1.00 10.00 H new ATOM 120 N ILE A 27 -4.846 -7.212 3.088 1.00 10.00 N ATOM 121 CA ILE A 27 -6.025 -8.043 3.252 1.00 10.00 C ATOM 122 C ILE A 27 -7.283 -7.261 2.908 1.00 10.00 C ATOM 123 O ILE A 27 -7.650 -6.316 3.607 1.00 10.00 O ATOM 124 CB ILE A 27 -6.134 -8.589 4.694 1.00 10.00 C ATOM 125 CG1 ILE A 27 -4.838 -9.303 5.099 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.326 -9.530 4.822 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.525 -10.536 4.276 1.00 10.00 C ATOM 0 H ILE A 27 -4.611 -6.645 3.902 1.00 10.00 H new ATOM 0 HA ILE A 27 -5.926 -8.887 2.569 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.288 -7.747 5.369 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.008 -8.602 5.013 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -4.906 -9.588 6.149 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.386 -9.904 5.844 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.242 -8.992 4.578 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.203 -10.368 4.136 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.594 -10.981 4.627 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.334 -11.259 4.381 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.422 -10.257 3.227 1.00 10.00 H new ATOM 139 N GLY A 28 -7.925 -7.644 1.815 1.00 10.00 N ATOM 140 CA GLY A 28 -9.137 -6.973 1.394 1.00 10.00 C ATOM 141 C GLY A 28 -10.336 -7.402 2.214 1.00 10.00 C ATOM 142 O GLY A 28 -10.295 -8.432 2.886 1.00 10.00 O ATOM 0 H GLY A 28 -7.627 -8.410 1.210 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -9.004 -5.895 1.482 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.323 -7.186 0.341 1.00 10.00 H new ATOM 146 N GLN A 29 -11.406 -6.616 2.149 1.00 10.00 N ATOM 147 CA GLN A 29 -12.635 -6.899 2.892 1.00 10.00 C ATOM 148 C GLN A 29 -13.245 -8.240 2.479 1.00 10.00 C ATOM 149 O GLN A 29 -13.996 -8.852 3.236 1.00 10.00 O ATOM 150 CB GLN A 29 -13.649 -5.772 2.671 1.00 10.00 C ATOM 151 CG GLN A 29 -14.896 -5.882 3.533 1.00 10.00 C ATOM 152 CD GLN A 29 -14.695 -5.339 4.932 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.835 -4.140 5.167 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.388 -6.216 5.873 1.00 10.00 N ATOM 0 H GLN A 29 -11.449 -5.768 1.583 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.381 -6.959 3.950 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.164 -4.817 2.872 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -13.945 -5.764 1.622 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.712 -5.342 3.053 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.198 -6.928 3.594 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.281 -7.202 5.636 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.258 -5.906 6.836 1.00 10.00 H new ATOM 163 N ASP A 30 -12.912 -8.703 1.282 1.00 10.00 N ATOM 164 CA ASP A 30 -13.429 -9.973 0.790 1.00 10.00 C ATOM 165 C ASP A 30 -12.496 -11.114 1.194 1.00 10.00 C ATOM 166 O ASP A 30 -12.599 -12.227 0.679 1.00 10.00 O ATOM 167 CB ASP A 30 -13.615 -9.936 -0.735 1.00 10.00 C ATOM 168 CG ASP A 30 -12.307 -9.993 -1.501 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.482 -9.068 -1.348 1.00 10.00 O ATOM 170 OD2 ASP A 30 -12.107 -10.952 -2.274 1.00 10.00 O ATOM 0 H ASP A 30 -12.288 -8.220 0.635 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.406 -10.146 1.242 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.242 -10.774 -1.038 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.148 -9.025 -1.007 1.00 10.00 H new ATOM 175 N SER A 31 -11.600 -10.814 2.137 1.00 10.00 N ATOM 176 CA SER A 31 -10.628 -11.774 2.651 1.00 10.00 C ATOM 177 C SER A 31 -9.637 -12.190 1.567 1.00 10.00 C ATOM 178 O SER A 31 -9.361 -13.375 1.373 1.00 10.00 O ATOM 179 CB SER A 31 -11.338 -12.993 3.245 1.00 10.00 C ATOM 180 OG SER A 31 -12.179 -12.613 4.322 1.00 10.00 O ATOM 0 H SER A 31 -11.530 -9.891 2.566 1.00 10.00 H new ATOM 0 HA SER A 31 -10.061 -11.289 3.446 1.00 10.00 H new ATOM 0 HB2 SER A 31 -11.929 -13.487 2.473 1.00 10.00 H new ATOM 0 HB3 SER A 31 -10.600 -13.716 3.592 1.00 10.00 H new ATOM 0 HG SER A 31 -12.624 -13.407 4.685 1.00 10.00 H new ATOM 186 N SER A 32 -9.102 -11.202 0.868 1.00 10.00 N ATOM 187 CA SER A 32 -8.133 -11.446 -0.187 1.00 10.00 C ATOM 188 C SER A 32 -6.718 -11.196 0.329 1.00 10.00 C ATOM 189 O SER A 32 -6.479 -10.229 1.054 1.00 10.00 O ATOM 190 CB SER A 32 -8.429 -10.533 -1.379 1.00 10.00 C ATOM 191 OG SER A 32 -8.931 -9.276 -0.944 1.00 10.00 O ATOM 0 H SER A 32 -9.325 -10.217 1.014 1.00 10.00 H new ATOM 0 HA SER A 32 -8.208 -12.486 -0.506 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.520 -10.384 -1.962 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.155 -11.011 -2.037 1.00 10.00 H new ATOM 0 HG SER A 32 -9.902 -9.335 -0.826 1.00 10.00 H new ATOM 197 N GLU A 33 -5.790 -12.073 -0.031 1.00 10.00 N ATOM 198 CA GLU A 33 -4.406 -11.935 0.394 1.00 10.00 C ATOM 199 C GLU A 33 -3.555 -11.403 -0.754 1.00 10.00 C ATOM 200 O GLU A 33 -3.101 -12.163 -1.609 1.00 10.00 O ATOM 201 CB GLU A 33 -3.846 -13.275 0.883 1.00 10.00 C ATOM 202 CG GLU A 33 -4.408 -13.729 2.223 1.00 10.00 C ATOM 203 CD GLU A 33 -3.641 -14.901 2.800 1.00 10.00 C ATOM 204 OE1 GLU A 33 -2.803 -14.689 3.700 1.00 10.00 O ATOM 205 OE2 GLU A 33 -3.858 -16.044 2.346 1.00 10.00 O ATOM 0 H GLU A 33 -5.972 -12.888 -0.617 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.374 -11.227 1.222 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.056 -14.039 0.135 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.762 -13.196 0.963 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.380 -12.897 2.927 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -5.455 -14.008 2.100 1.00 10.00 H new ATOM 212 N ILE A 34 -3.371 -10.093 -0.789 1.00 10.00 N ATOM 213 CA ILE A 34 -2.573 -9.467 -1.830 1.00 10.00 C ATOM 214 C ILE A 34 -1.149 -9.254 -1.335 1.00 10.00 C ATOM 215 O ILE A 34 -0.932 -8.657 -0.277 1.00 10.00 O ATOM 216 CB ILE A 34 -3.170 -8.115 -2.277 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.683 -8.236 -2.503 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.480 -7.614 -3.540 1.00 10.00 C ATOM 219 CD1 ILE A 34 -5.068 -9.215 -3.594 1.00 10.00 C ATOM 0 H ILE A 34 -3.764 -9.443 -0.108 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.573 -10.136 -2.690 1.00 10.00 H new ATOM 0 HB ILE A 34 -3.000 -7.390 -1.481 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.156 -8.543 -1.570 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.082 -7.253 -2.754 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.915 -6.660 -3.838 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.416 -7.482 -3.345 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.615 -8.341 -4.341 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -6.153 -9.243 -3.692 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.627 -8.899 -4.539 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.701 -10.209 -3.337 1.00 10.00 H new ATOM 231 N HIS A 35 -0.184 -9.752 -2.091 1.00 10.00 N ATOM 232 CA HIS A 35 1.218 -9.630 -1.720 1.00 10.00 C ATOM 233 C HIS A 35 1.856 -8.441 -2.426 1.00 10.00 C ATOM 234 O HIS A 35 2.146 -8.492 -3.623 1.00 10.00 O ATOM 235 CB HIS A 35 1.977 -10.917 -2.058 1.00 10.00 C ATOM 236 CG HIS A 35 1.341 -12.158 -1.504 1.00 10.00 C ATOM 237 ND1 HIS A 35 1.143 -13.275 -2.285 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.868 -12.401 -0.256 1.00 10.00 C ATOM 239 CE1 HIS A 35 0.557 -14.164 -1.499 1.00 10.00 C ATOM 240 NE2 HIS A 35 0.373 -13.677 -0.266 1.00 10.00 N ATOM 0 H HIS A 35 -0.346 -10.246 -2.968 1.00 10.00 H new ATOM 0 HA HIS A 35 1.274 -9.466 -0.644 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.051 -11.010 -3.141 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.994 -10.839 -1.675 1.00 10.00 H new ATOM 0 HD1 HIS A 35 1.396 -13.393 -3.266 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.880 -11.720 0.582 1.00 10.00 H new ATOM 0 HE1 HIS A 35 0.265 -15.155 -1.812 1.00 10.00 H new ATOM 248 N PHE A 36 2.059 -7.367 -1.678 1.00 10.00 N ATOM 249 CA PHE A 36 2.659 -6.158 -2.218 1.00 10.00 C ATOM 250 C PHE A 36 4.085 -6.010 -1.704 1.00 10.00 C ATOM 251 O PHE A 36 4.300 -5.804 -0.512 1.00 10.00 O ATOM 252 CB PHE A 36 1.829 -4.932 -1.815 1.00 10.00 C ATOM 253 CG PHE A 36 1.810 -3.834 -2.840 1.00 10.00 C ATOM 254 CD1 PHE A 36 2.943 -3.525 -3.573 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.651 -3.110 -3.071 1.00 10.00 C ATOM 256 CE1 PHE A 36 2.919 -2.523 -4.520 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.621 -2.104 -4.016 1.00 10.00 C ATOM 258 CZ PHE A 36 1.758 -1.809 -4.741 1.00 10.00 C ATOM 0 H PHE A 36 1.815 -7.309 -0.689 1.00 10.00 H new ATOM 0 HA PHE A 36 2.678 -6.230 -3.305 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.804 -5.249 -1.621 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.222 -4.533 -0.880 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.856 -4.075 -3.401 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.240 -3.336 -2.504 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.809 -2.297 -5.089 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -0.290 -1.549 -4.188 1.00 10.00 H new ATOM 0 HZ PHE A 36 1.740 -1.021 -5.480 1.00 10.00 H new ATOM 268 N LYS A 37 5.057 -6.127 -2.597 1.00 10.00 N ATOM 269 CA LYS A 37 6.452 -5.993 -2.204 1.00 10.00 C ATOM 270 C LYS A 37 6.997 -4.635 -2.638 1.00 10.00 C ATOM 271 O LYS A 37 6.969 -4.279 -3.820 1.00 10.00 O ATOM 272 CB LYS A 37 7.299 -7.145 -2.764 1.00 10.00 C ATOM 273 CG LYS A 37 7.264 -7.268 -4.277 1.00 10.00 C ATOM 274 CD LYS A 37 7.822 -8.604 -4.745 1.00 10.00 C ATOM 275 CE LYS A 37 9.309 -8.733 -4.457 1.00 10.00 C ATOM 276 NZ LYS A 37 9.838 -10.061 -4.865 1.00 10.00 N ATOM 0 H LYS A 37 4.908 -6.313 -3.589 1.00 10.00 H new ATOM 0 HA LYS A 37 6.511 -6.049 -1.117 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.333 -7.008 -2.446 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.952 -8.081 -2.327 1.00 10.00 H new ATOM 0 HG2 LYS A 37 6.238 -7.159 -4.628 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.840 -6.457 -4.722 1.00 10.00 H new ATOM 0 HD2 LYS A 37 7.286 -9.414 -4.251 1.00 10.00 H new ATOM 0 HD3 LYS A 37 7.649 -8.714 -5.816 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.851 -7.948 -4.985 1.00 10.00 H new ATOM 0 HE3 LYS A 37 9.487 -8.582 -3.392 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.855 -10.110 -4.652 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 9.339 -10.809 -4.343 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 9.691 -10.195 -5.886 1.00 10.00 H new ATOM 290 N VAL A 38 7.474 -3.874 -1.665 1.00 10.00 N ATOM 291 CA VAL A 38 8.008 -2.544 -1.917 1.00 10.00 C ATOM 292 C VAL A 38 9.512 -2.502 -1.671 1.00 10.00 C ATOM 293 O VAL A 38 10.084 -3.440 -1.116 1.00 10.00 O ATOM 294 CB VAL A 38 7.318 -1.491 -1.015 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.806 -1.648 -1.063 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.814 -1.588 0.422 1.00 10.00 C ATOM 0 H VAL A 38 7.502 -4.158 -0.686 1.00 10.00 H new ATOM 0 HA VAL A 38 7.810 -2.309 -2.963 1.00 10.00 H new ATOM 0 HB VAL A 38 7.578 -0.504 -1.399 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.342 -0.898 -0.422 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.459 -1.515 -2.088 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.532 -2.644 -0.714 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.312 -0.837 1.032 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.595 -2.580 0.816 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.890 -1.416 0.448 1.00 10.00 H new ATOM 306 N LYS A 39 10.148 -1.417 -2.087 1.00 10.00 N ATOM 307 CA LYS A 39 11.577 -1.249 -1.890 1.00 10.00 C ATOM 308 C LYS A 39 11.824 -0.066 -0.959 1.00 10.00 C ATOM 309 O LYS A 39 10.981 0.824 -0.849 1.00 10.00 O ATOM 310 CB LYS A 39 12.285 -1.046 -3.233 1.00 10.00 C ATOM 311 CG LYS A 39 13.637 -1.737 -3.310 1.00 10.00 C ATOM 312 CD LYS A 39 14.070 -1.997 -4.744 1.00 10.00 C ATOM 313 CE LYS A 39 14.578 -0.737 -5.426 1.00 10.00 C ATOM 314 NZ LYS A 39 15.259 -1.043 -6.709 1.00 10.00 N ATOM 0 H LYS A 39 9.694 -0.638 -2.564 1.00 10.00 H new ATOM 0 HA LYS A 39 11.986 -2.150 -1.433 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.647 -1.421 -4.033 1.00 10.00 H new ATOM 0 HB3 LYS A 39 12.420 0.022 -3.407 1.00 10.00 H new ATOM 0 HG2 LYS A 39 14.386 -1.121 -2.812 1.00 10.00 H new ATOM 0 HG3 LYS A 39 13.591 -2.682 -2.769 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.853 -2.755 -4.754 1.00 10.00 H new ATOM 0 HD3 LYS A 39 13.229 -2.400 -5.309 1.00 10.00 H new ATOM 0 HE2 LYS A 39 13.743 -0.061 -5.610 1.00 10.00 H new ATOM 0 HE3 LYS A 39 15.269 -0.217 -4.762 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 15.592 -0.159 -7.145 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 16.071 -1.668 -6.531 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.592 -1.516 -7.352 1.00 10.00 H new ATOM 328 N MET A 40 12.971 -0.052 -0.295 1.00 10.00 N ATOM 329 CA MET A 40 13.296 1.020 0.644 1.00 10.00 C ATOM 330 C MET A 40 13.568 2.342 -0.070 1.00 10.00 C ATOM 331 O MET A 40 13.288 3.412 0.467 1.00 10.00 O ATOM 332 CB MET A 40 14.490 0.632 1.514 1.00 10.00 C ATOM 333 CG MET A 40 14.696 1.550 2.709 1.00 10.00 C ATOM 334 SD MET A 40 13.175 1.848 3.639 1.00 10.00 S ATOM 335 CE MET A 40 12.626 0.172 3.956 1.00 10.00 C ATOM 0 H MET A 40 13.692 -0.767 -0.386 1.00 10.00 H new ATOM 0 HA MET A 40 12.424 1.164 1.283 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.353 -0.389 1.870 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.392 0.638 0.902 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.442 1.112 3.373 1.00 10.00 H new ATOM 0 HG3 MET A 40 15.097 2.503 2.364 1.00 10.00 H new ATOM 0 HE1 MET A 40 12.057 0.145 4.886 1.00 10.00 H new ATOM 0 HE2 MET A 40 11.994 -0.165 3.134 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.492 -0.485 4.041 1.00 10.00 H new ATOM 345 N THR A 41 14.114 2.271 -1.277 1.00 10.00 N ATOM 346 CA THR A 41 14.392 3.474 -2.052 1.00 10.00 C ATOM 347 C THR A 41 13.090 4.092 -2.533 1.00 10.00 C ATOM 348 O THR A 41 13.040 5.256 -2.943 1.00 10.00 O ATOM 349 CB THR A 41 15.287 3.172 -3.282 1.00 10.00 C ATOM 350 OG1 THR A 41 16.033 4.340 -3.646 1.00 10.00 O ATOM 351 CG2 THR A 41 14.457 2.689 -4.480 1.00 10.00 C ATOM 0 H THR A 41 14.372 1.399 -1.739 1.00 10.00 H new ATOM 0 HA THR A 41 14.923 4.167 -1.399 1.00 10.00 H new ATOM 0 HB THR A 41 15.974 2.372 -3.005 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.596 4.140 -4.422 1.00 10.00 H new ATOM 0 HG21 THR A 41 15.118 2.487 -5.323 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.925 1.777 -4.210 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.738 3.459 -4.759 1.00 10.00 H new ATOM 359 N THR A 42 12.036 3.302 -2.455 1.00 10.00 N ATOM 360 CA THR A 42 10.742 3.724 -2.909 1.00 10.00 C ATOM 361 C THR A 42 9.973 4.455 -1.826 1.00 10.00 C ATOM 362 O THR A 42 10.029 4.101 -0.648 1.00 10.00 O ATOM 363 CB THR A 42 9.950 2.506 -3.397 1.00 10.00 C ATOM 364 OG1 THR A 42 10.844 1.616 -4.072 1.00 10.00 O ATOM 365 CG2 THR A 42 8.857 2.931 -4.346 1.00 10.00 C ATOM 0 H THR A 42 12.061 2.356 -2.076 1.00 10.00 H new ATOM 0 HA THR A 42 10.883 4.425 -3.732 1.00 10.00 H new ATOM 0 HB THR A 42 9.494 2.009 -2.541 1.00 10.00 H new ATOM 0 HG1 THR A 42 10.348 0.832 -4.387 1.00 10.00 H new ATOM 0 HG21 THR A 42 8.305 2.053 -4.682 1.00 10.00 H new ATOM 0 HG22 THR A 42 8.177 3.613 -3.836 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.298 3.434 -5.207 1.00 10.00 H new ATOM 373 N HIS A 43 9.289 5.498 -2.236 1.00 10.00 N ATOM 374 CA HIS A 43 8.478 6.282 -1.336 1.00 10.00 C ATOM 375 C HIS A 43 7.043 5.784 -1.478 1.00 10.00 C ATOM 376 O HIS A 43 6.711 5.143 -2.474 1.00 10.00 O ATOM 377 CB HIS A 43 8.597 7.793 -1.642 1.00 10.00 C ATOM 378 CG HIS A 43 9.433 8.135 -2.853 1.00 10.00 C ATOM 379 ND1 HIS A 43 8.846 8.604 -3.998 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.785 8.049 -3.056 1.00 10.00 C ATOM 381 CE1 HIS A 43 9.821 8.787 -4.868 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.006 8.463 -4.342 1.00 10.00 N ATOM 0 H HIS A 43 9.280 5.826 -3.202 1.00 10.00 H new ATOM 0 HA HIS A 43 8.817 6.161 -0.307 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.596 8.200 -1.784 1.00 10.00 H new ATOM 0 HB3 HIS A 43 9.024 8.292 -0.772 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.528 7.720 -2.344 1.00 10.00 H new ATOM 0 HE1 HIS A 43 9.680 9.151 -5.875 1.00 10.00 H new ATOM 0 HE2 HIS A 43 11.910 8.515 -4.812 1.00 10.00 H new ATOM 390 N LEU A 44 6.190 6.058 -0.503 1.00 10.00 N ATOM 391 CA LEU A 44 4.810 5.576 -0.557 1.00 10.00 C ATOM 392 C LEU A 44 3.939 6.400 -1.510 1.00 10.00 C ATOM 393 O LEU A 44 2.716 6.254 -1.523 1.00 10.00 O ATOM 394 CB LEU A 44 4.193 5.557 0.845 1.00 10.00 C ATOM 395 CG LEU A 44 4.855 4.595 1.842 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.024 4.489 3.112 1.00 10.00 C ATOM 397 CD2 LEU A 44 5.037 3.217 1.222 1.00 10.00 C ATOM 0 H LEU A 44 6.420 6.604 0.327 1.00 10.00 H new ATOM 0 HA LEU A 44 4.843 4.560 -0.949 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.236 6.566 1.256 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.139 5.293 0.756 1.00 10.00 H new ATOM 0 HG LEU A 44 5.837 4.994 2.096 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.508 3.803 3.807 1.00 10.00 H new ATOM 0 HD12 LEU A 44 3.938 5.473 3.574 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.030 4.115 2.866 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.508 2.552 1.946 1.00 10.00 H new ATOM 0 HD22 LEU A 44 4.065 2.815 0.938 1.00 10.00 H new ATOM 0 HD23 LEU A 44 5.669 3.297 0.338 1.00 10.00 H new ATOM 409 N LYS A 45 4.567 7.244 -2.318 1.00 10.00 N ATOM 410 CA LYS A 45 3.838 8.074 -3.270 1.00 10.00 C ATOM 411 C LYS A 45 3.296 7.230 -4.423 1.00 10.00 C ATOM 412 O LYS A 45 2.086 7.198 -4.672 1.00 10.00 O ATOM 413 CB LYS A 45 4.743 9.187 -3.804 1.00 10.00 C ATOM 414 CG LYS A 45 4.085 10.060 -4.862 1.00 10.00 C ATOM 415 CD LYS A 45 2.939 10.873 -4.286 1.00 10.00 C ATOM 416 CE LYS A 45 2.065 11.446 -5.387 1.00 10.00 C ATOM 417 NZ LYS A 45 0.983 12.305 -4.845 1.00 10.00 N ATOM 0 H LYS A 45 5.579 7.372 -2.334 1.00 10.00 H new ATOM 0 HA LYS A 45 2.992 8.527 -2.753 1.00 10.00 H new ATOM 0 HB2 LYS A 45 5.058 9.816 -2.972 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.644 8.740 -4.224 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.827 10.732 -5.293 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.715 9.433 -5.673 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.337 10.244 -3.630 1.00 10.00 H new ATOM 0 HD3 LYS A 45 3.336 11.683 -3.674 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.681 12.027 -6.073 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.627 10.631 -5.964 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 0.430 12.704 -5.630 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.360 11.736 -4.237 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 1.400 13.078 -4.288 1.00 10.00 H new ATOM 431 N LYS A 46 4.194 6.537 -5.115 1.00 10.00 N ATOM 432 CA LYS A 46 3.811 5.695 -6.241 1.00 10.00 C ATOM 433 C LYS A 46 3.077 4.452 -5.746 1.00 10.00 C ATOM 434 O LYS A 46 2.345 3.807 -6.497 1.00 10.00 O ATOM 435 CB LYS A 46 5.045 5.301 -7.066 1.00 10.00 C ATOM 436 CG LYS A 46 4.712 4.679 -8.417 1.00 10.00 C ATOM 437 CD LYS A 46 5.938 4.612 -9.315 1.00 10.00 C ATOM 438 CE LYS A 46 6.131 5.915 -10.069 1.00 10.00 C ATOM 439 NZ LYS A 46 7.352 5.893 -10.917 1.00 10.00 N ATOM 0 H LYS A 46 5.194 6.542 -4.915 1.00 10.00 H new ATOM 0 HA LYS A 46 3.138 6.262 -6.884 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.660 6.186 -7.226 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.645 4.596 -6.490 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.313 3.676 -8.269 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.933 5.263 -8.906 1.00 10.00 H new ATOM 0 HD2 LYS A 46 6.822 4.401 -8.714 1.00 10.00 H new ATOM 0 HD3 LYS A 46 5.830 3.790 -10.023 1.00 10.00 H new ATOM 0 HE2 LYS A 46 5.259 6.104 -10.695 1.00 10.00 H new ATOM 0 HE3 LYS A 46 6.198 6.739 -9.358 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 7.446 6.802 -11.414 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 8.188 5.738 -10.318 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 7.278 5.124 -11.613 1.00 10.00 H new ATOM 453 N LEU A 47 3.271 4.132 -4.474 1.00 10.00 N ATOM 454 CA LEU A 47 2.622 2.979 -3.856 1.00 10.00 C ATOM 455 C LEU A 47 1.109 3.107 -3.963 1.00 10.00 C ATOM 456 O LEU A 47 0.424 2.216 -4.471 1.00 10.00 O ATOM 457 CB LEU A 47 3.008 2.891 -2.375 1.00 10.00 C ATOM 458 CG LEU A 47 3.822 1.664 -1.964 1.00 10.00 C ATOM 459 CD1 LEU A 47 3.178 0.394 -2.494 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.256 1.788 -2.454 1.00 10.00 C ATOM 0 H LEU A 47 3.877 4.658 -3.844 1.00 10.00 H new ATOM 0 HA LEU A 47 2.950 2.079 -4.377 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.578 3.783 -2.115 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.095 2.912 -1.781 1.00 10.00 H new ATOM 0 HG LEU A 47 3.837 1.608 -0.876 1.00 10.00 H new ATOM 0 HD11 LEU A 47 3.772 -0.469 -2.191 1.00 10.00 H new ATOM 0 HD12 LEU A 47 2.170 0.301 -2.089 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.130 0.437 -3.582 1.00 10.00 H new ATOM 0 HD21 LEU A 47 5.821 0.906 -2.153 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.263 1.870 -3.541 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.713 2.677 -2.020 1.00 10.00 H new ATOM 472 N LYS A 48 0.612 4.246 -3.501 1.00 10.00 N ATOM 473 CA LYS A 48 -0.811 4.539 -3.498 1.00 10.00 C ATOM 474 C LYS A 48 -1.426 4.458 -4.894 1.00 10.00 C ATOM 475 O LYS A 48 -2.460 3.814 -5.083 1.00 10.00 O ATOM 476 CB LYS A 48 -1.053 5.925 -2.901 1.00 10.00 C ATOM 477 CG LYS A 48 -0.571 6.062 -1.463 1.00 10.00 C ATOM 478 CD LYS A 48 -0.900 7.430 -0.887 1.00 10.00 C ATOM 479 CE LYS A 48 -2.402 7.662 -0.825 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.743 8.940 -0.152 1.00 10.00 N ATOM 0 H LYS A 48 1.188 4.995 -3.117 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.298 3.780 -2.886 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.549 6.670 -3.517 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.119 6.147 -2.941 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -1.032 5.288 -0.849 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.506 5.900 -1.423 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.476 7.516 0.113 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.436 8.204 -1.498 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.810 7.665 -1.836 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.874 6.836 -0.293 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.679 9.261 -0.471 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.759 8.797 0.878 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -2.030 9.659 -0.390 1.00 10.00 H new ATOM 494 N GLU A 49 -0.791 5.089 -5.876 1.00 10.00 N ATOM 495 CA GLU A 49 -1.330 5.085 -7.233 1.00 10.00 C ATOM 496 C GLU A 49 -1.256 3.699 -7.871 1.00 10.00 C ATOM 497 O GLU A 49 -2.174 3.301 -8.583 1.00 10.00 O ATOM 498 CB GLU A 49 -0.636 6.126 -8.123 1.00 10.00 C ATOM 499 CG GLU A 49 0.875 6.020 -8.163 1.00 10.00 C ATOM 500 CD GLU A 49 1.475 6.736 -9.359 1.00 10.00 C ATOM 501 OE1 GLU A 49 2.091 6.065 -10.212 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.332 7.976 -9.452 1.00 10.00 O ATOM 0 H GLU A 49 0.083 5.602 -5.763 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.382 5.359 -7.151 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -1.020 6.029 -9.138 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.907 7.122 -7.773 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.290 6.439 -7.246 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.162 4.969 -8.191 1.00 10.00 H new ATOM 509 N SER A 50 -0.186 2.956 -7.596 1.00 10.00 N ATOM 510 CA SER A 50 -0.027 1.619 -8.162 1.00 10.00 C ATOM 511 C SER A 50 -1.166 0.697 -7.733 1.00 10.00 C ATOM 512 O SER A 50 -1.643 -0.123 -8.523 1.00 10.00 O ATOM 513 CB SER A 50 1.320 1.023 -7.763 1.00 10.00 C ATOM 514 OG SER A 50 2.385 1.808 -8.273 1.00 10.00 O ATOM 0 H SER A 50 0.578 3.254 -6.990 1.00 10.00 H new ATOM 0 HA SER A 50 -0.060 1.711 -9.248 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.391 0.966 -6.677 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.399 0.004 -8.141 1.00 10.00 H new ATOM 0 HG SER A 50 2.449 2.643 -7.764 1.00 10.00 H new ATOM 520 N TYR A 51 -1.604 0.834 -6.485 1.00 10.00 N ATOM 521 CA TYR A 51 -2.701 0.021 -5.980 1.00 10.00 C ATOM 522 C TYR A 51 -3.986 0.384 -6.716 1.00 10.00 C ATOM 523 O TYR A 51 -4.770 -0.489 -7.091 1.00 10.00 O ATOM 524 CB TYR A 51 -2.878 0.215 -4.470 1.00 10.00 C ATOM 525 CG TYR A 51 -3.873 -0.743 -3.850 1.00 10.00 C ATOM 526 CD1 TYR A 51 -3.468 -1.984 -3.377 1.00 10.00 C ATOM 527 CD2 TYR A 51 -5.220 -0.412 -3.753 1.00 10.00 C ATOM 528 CE1 TYR A 51 -4.378 -2.868 -2.823 1.00 10.00 C ATOM 529 CE2 TYR A 51 -6.132 -1.288 -3.197 1.00 10.00 C ATOM 530 CZ TYR A 51 -5.708 -2.515 -2.737 1.00 10.00 C ATOM 531 OH TYR A 51 -6.622 -3.393 -2.197 1.00 10.00 O ATOM 0 H TYR A 51 -1.219 1.495 -5.811 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.468 -1.029 -6.157 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.912 0.090 -3.980 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -3.203 1.238 -4.279 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -2.427 -2.264 -3.442 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.559 0.546 -4.118 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -4.048 -3.830 -2.460 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -7.173 -1.012 -3.123 1.00 10.00 H new ATOM 0 HH TYR A 51 -7.514 -2.987 -2.211 1.00 10.00 H new ATOM 541 N CYS A 52 -4.178 1.680 -6.945 1.00 10.00 N ATOM 542 CA CYS A 52 -5.359 2.168 -7.642 1.00 10.00 C ATOM 543 C CYS A 52 -5.362 1.674 -9.087 1.00 10.00 C ATOM 544 O CYS A 52 -6.396 1.260 -9.610 1.00 10.00 O ATOM 545 CB CYS A 52 -5.398 3.698 -7.605 1.00 10.00 C ATOM 546 SG CYS A 52 -5.236 4.396 -5.943 1.00 10.00 S ATOM 0 H CYS A 52 -3.528 2.411 -6.656 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.246 1.782 -7.140 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.596 4.087 -8.232 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.337 4.038 -8.041 1.00 10.00 H new ATOM 0 HG CYS A 52 -3.991 4.347 -5.571 1.00 10.00 H new ATOM 552 N GLN A 53 -4.188 1.698 -9.712 1.00 10.00 N ATOM 553 CA GLN A 53 -4.035 1.253 -11.092 1.00 10.00 C ATOM 554 C GLN A 53 -4.383 -0.227 -11.234 1.00 10.00 C ATOM 555 O GLN A 53 -4.953 -0.643 -12.242 1.00 10.00 O ATOM 556 CB GLN A 53 -2.605 1.503 -11.577 1.00 10.00 C ATOM 557 CG GLN A 53 -2.250 2.977 -11.695 1.00 10.00 C ATOM 558 CD GLN A 53 -0.753 3.214 -11.764 1.00 10.00 C ATOM 559 OE1 GLN A 53 0.035 2.450 -11.210 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.349 4.276 -12.439 1.00 10.00 N ATOM 0 H GLN A 53 -3.323 2.024 -9.280 1.00 10.00 H new ATOM 0 HA GLN A 53 -4.726 1.828 -11.708 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -1.908 1.024 -10.889 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.471 1.027 -12.548 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -2.721 3.390 -12.587 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.660 3.515 -10.840 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.033 4.887 -12.886 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.647 4.485 -12.513 1.00 10.00 H new ATOM 569 N ARG A 54 -4.052 -1.016 -10.215 1.00 10.00 N ATOM 570 CA ARG A 54 -4.339 -2.447 -10.236 1.00 10.00 C ATOM 571 C ARG A 54 -5.822 -2.704 -9.970 1.00 10.00 C ATOM 572 O ARG A 54 -6.385 -3.697 -10.433 1.00 10.00 O ATOM 573 CB ARG A 54 -3.477 -3.189 -9.204 1.00 10.00 C ATOM 574 CG ARG A 54 -3.706 -4.694 -9.196 1.00 10.00 C ATOM 575 CD ARG A 54 -2.597 -5.441 -8.473 1.00 10.00 C ATOM 576 NE ARG A 54 -2.889 -6.871 -8.367 1.00 10.00 N ATOM 577 CZ ARG A 54 -2.172 -7.834 -8.957 1.00 10.00 C ATOM 578 NH1 ARG A 54 -1.108 -7.528 -9.697 1.00 10.00 N ATOM 579 NH2 ARG A 54 -2.533 -9.105 -8.813 1.00 10.00 N ATOM 0 H ARG A 54 -3.587 -0.690 -9.368 1.00 10.00 H new ATOM 0 HA ARG A 54 -4.094 -2.826 -11.228 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.425 -2.990 -9.410 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.689 -2.791 -8.211 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -4.660 -4.912 -8.717 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -3.775 -5.055 -10.222 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -1.656 -5.300 -9.005 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -2.465 -5.021 -7.476 1.00 10.00 H new ATOM 0 HE ARG A 54 -3.693 -7.152 -7.806 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -0.834 -6.553 -9.818 1.00 10.00 H new ATOM 0 HH12 ARG A 54 -0.567 -8.269 -10.143 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -3.353 -9.342 -8.255 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -1.990 -9.843 -9.261 1.00 10.00 H new ATOM 593 N GLN A 55 -6.450 -1.803 -9.228 1.00 10.00 N ATOM 594 CA GLN A 55 -7.866 -1.937 -8.904 1.00 10.00 C ATOM 595 C GLN A 55 -8.740 -1.380 -10.023 1.00 10.00 C ATOM 596 O GLN A 55 -9.916 -1.727 -10.138 1.00 10.00 O ATOM 597 CB GLN A 55 -8.184 -1.225 -7.588 1.00 10.00 C ATOM 598 CG GLN A 55 -7.689 -1.971 -6.362 1.00 10.00 C ATOM 599 CD GLN A 55 -8.212 -3.392 -6.302 1.00 10.00 C ATOM 600 OE1 GLN A 55 -7.602 -4.313 -6.843 1.00 10.00 O ATOM 601 NE2 GLN A 55 -9.343 -3.581 -5.642 1.00 10.00 N ATOM 0 H GLN A 55 -6.004 -0.972 -8.839 1.00 10.00 H new ATOM 0 HA GLN A 55 -8.085 -2.999 -8.794 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.737 -0.231 -7.604 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.262 -1.088 -7.509 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.599 -1.987 -6.365 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.997 -1.435 -5.464 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.818 -2.790 -5.207 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -9.740 -4.518 -5.568 1.00 10.00 H new ATOM 610 N GLY A 56 -8.160 -0.518 -10.844 1.00 10.00 N ATOM 611 CA GLY A 56 -8.900 0.073 -11.939 1.00 10.00 C ATOM 612 C GLY A 56 -9.714 1.263 -11.486 1.00 10.00 C ATOM 613 O GLY A 56 -10.805 1.517 -12.000 1.00 10.00 O ATOM 0 H GLY A 56 -7.188 -0.217 -10.771 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.207 0.383 -12.721 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.561 -0.675 -12.377 1.00 10.00 H new ATOM 617 N VAL A 57 -9.185 1.990 -10.513 1.00 10.00 N ATOM 618 CA VAL A 57 -9.855 3.162 -9.970 1.00 10.00 C ATOM 619 C VAL A 57 -8.892 4.342 -9.917 1.00 10.00 C ATOM 620 O VAL A 57 -7.678 4.149 -9.857 1.00 10.00 O ATOM 621 CB VAL A 57 -10.410 2.891 -8.550 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.562 1.898 -8.603 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.311 2.388 -7.624 1.00 10.00 C ATOM 0 H VAL A 57 -8.284 1.786 -10.080 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.691 3.397 -10.629 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.787 3.832 -8.150 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.937 1.722 -7.595 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.363 2.302 -9.223 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.213 0.958 -9.030 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.726 2.205 -6.633 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.897 1.461 -8.021 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.522 3.137 -7.555 1.00 10.00 H new ATOM 633 N PRO A 58 -9.413 5.580 -9.962 1.00 10.00 N ATOM 634 CA PRO A 58 -8.580 6.783 -9.893 1.00 10.00 C ATOM 635 C PRO A 58 -7.945 6.942 -8.513 1.00 10.00 C ATOM 636 O PRO A 58 -8.333 6.263 -7.563 1.00 10.00 O ATOM 637 CB PRO A 58 -9.566 7.924 -10.166 1.00 10.00 C ATOM 638 CG PRO A 58 -10.900 7.377 -9.802 1.00 10.00 C ATOM 639 CD PRO A 58 -10.845 5.905 -10.098 1.00 10.00 C ATOM 0 HA PRO A 58 -7.750 6.754 -10.600 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.325 8.805 -9.571 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.537 8.229 -11.212 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.119 7.554 -8.749 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.689 7.861 -10.378 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.455 5.332 -9.399 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.214 5.683 -11.099 1.00 10.00 H new ATOM 647 N MET A 59 -6.977 7.835 -8.400 1.00 10.00 N ATOM 648 CA MET A 59 -6.303 8.059 -7.128 1.00 10.00 C ATOM 649 C MET A 59 -7.210 8.831 -6.168 1.00 10.00 C ATOM 650 O MET A 59 -8.137 9.518 -6.599 1.00 10.00 O ATOM 651 CB MET A 59 -4.986 8.814 -7.348 1.00 10.00 C ATOM 652 CG MET A 59 -4.001 8.677 -6.197 1.00 10.00 C ATOM 653 SD MET A 59 -2.370 9.342 -6.590 1.00 10.00 S ATOM 654 CE MET A 59 -1.474 8.955 -5.089 1.00 10.00 C ATOM 0 H MET A 59 -6.640 8.415 -9.168 1.00 10.00 H new ATOM 0 HA MET A 59 -6.077 7.091 -6.681 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.517 8.449 -8.261 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.205 9.870 -7.503 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.397 9.192 -5.322 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.905 7.624 -5.930 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.972 9.851 -4.723 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.171 8.595 -4.332 1.00 10.00 H new ATOM 0 HE3 MET A 59 -0.733 8.183 -5.296 1.00 10.00 H new ATOM 664 N ASN A 60 -6.949 8.675 -4.867 1.00 10.00 N ATOM 665 CA ASN A 60 -7.710 9.345 -3.805 1.00 10.00 C ATOM 666 C ASN A 60 -9.094 8.720 -3.647 1.00 10.00 C ATOM 667 O ASN A 60 -10.010 9.330 -3.099 1.00 10.00 O ATOM 668 CB ASN A 60 -7.832 10.856 -4.065 1.00 10.00 C ATOM 669 CG ASN A 60 -8.147 11.640 -2.801 1.00 10.00 C ATOM 670 OD1 ASN A 60 -7.597 11.369 -1.735 1.00 10.00 O ATOM 671 ND2 ASN A 60 -9.040 12.614 -2.910 1.00 10.00 N ATOM 0 H ASN A 60 -6.200 8.077 -4.518 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.159 9.207 -2.875 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -6.900 11.224 -4.494 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.615 11.033 -4.803 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.292 13.169 -2.092 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -9.475 12.809 -3.812 1.00 10.00 H new ATOM 678 N SER A 61 -9.243 7.497 -4.130 1.00 10.00 N ATOM 679 CA SER A 61 -10.509 6.792 -4.027 1.00 10.00 C ATOM 680 C SER A 61 -10.501 5.870 -2.816 1.00 10.00 C ATOM 681 O SER A 61 -11.533 5.633 -2.185 1.00 10.00 O ATOM 682 CB SER A 61 -10.763 5.983 -5.298 1.00 10.00 C ATOM 683 OG SER A 61 -9.645 5.168 -5.609 1.00 10.00 O ATOM 0 H SER A 61 -8.503 6.973 -4.597 1.00 10.00 H new ATOM 0 HA SER A 61 -11.308 7.523 -3.906 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.648 5.360 -5.167 1.00 10.00 H new ATOM 0 HB3 SER A 61 -10.969 6.658 -6.129 1.00 10.00 H new ATOM 0 HG SER A 61 -8.974 5.701 -6.085 1.00 10.00 H new ATOM 689 N LEU A 62 -9.319 5.366 -2.494 1.00 10.00 N ATOM 690 CA LEU A 62 -9.153 4.455 -1.376 1.00 10.00 C ATOM 691 C LEU A 62 -8.134 5.001 -0.383 1.00 10.00 C ATOM 692 O LEU A 62 -7.118 5.584 -0.774 1.00 10.00 O ATOM 693 CB LEU A 62 -8.697 3.081 -1.881 1.00 10.00 C ATOM 694 CG LEU A 62 -9.562 2.465 -2.984 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.787 1.391 -3.729 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.843 1.887 -2.403 1.00 10.00 C ATOM 0 H LEU A 62 -8.456 5.576 -2.996 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.114 4.354 -0.871 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.676 3.170 -2.251 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.671 2.393 -1.036 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.830 3.253 -3.688 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.416 0.963 -4.509 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.898 1.831 -4.180 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.490 0.607 -3.032 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.443 1.454 -3.204 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.596 1.113 -1.676 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.409 2.678 -1.912 1.00 10.00 H new ATOM 708 N ARG A 63 -8.419 4.821 0.898 1.00 10.00 N ATOM 709 CA ARG A 63 -7.533 5.271 1.957 1.00 10.00 C ATOM 710 C ARG A 63 -6.821 4.075 2.578 1.00 10.00 C ATOM 711 O ARG A 63 -7.450 3.072 2.928 1.00 10.00 O ATOM 712 CB ARG A 63 -8.305 6.056 3.031 1.00 10.00 C ATOM 713 CG ARG A 63 -9.433 5.273 3.689 1.00 10.00 C ATOM 714 CD ARG A 63 -10.120 6.084 4.780 1.00 10.00 C ATOM 715 NE ARG A 63 -11.323 5.417 5.285 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.571 5.837 5.048 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.790 6.922 4.316 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.604 5.161 5.539 1.00 10.00 N ATOM 0 H ARG A 63 -9.267 4.361 1.230 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.792 5.943 1.524 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.605 6.379 3.802 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.719 6.957 2.578 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.165 4.985 2.934 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -9.036 4.352 4.116 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.424 6.248 5.603 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.387 7.066 4.388 1.00 10.00 H new ATOM 0 HE ARG A 63 -11.201 4.579 5.854 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.003 7.443 3.929 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.745 7.235 4.141 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.446 4.322 6.097 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.555 5.481 5.358 1.00 10.00 H new ATOM 732 N PHE A 64 -5.508 4.173 2.687 1.00 10.00 N ATOM 733 CA PHE A 64 -4.708 3.106 3.264 1.00 10.00 C ATOM 734 C PHE A 64 -4.530 3.351 4.751 1.00 10.00 C ATOM 735 O PHE A 64 -4.170 4.455 5.164 1.00 10.00 O ATOM 736 CB PHE A 64 -3.348 3.026 2.568 1.00 10.00 C ATOM 737 CG PHE A 64 -3.447 2.867 1.078 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.445 3.979 0.249 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.559 1.610 0.505 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.543 3.838 -1.121 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.656 1.465 -0.865 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.652 2.581 -1.679 1.00 10.00 C ATOM 0 H PHE A 64 -4.971 4.985 2.382 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.222 2.155 3.120 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.780 3.929 2.792 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.787 2.186 2.979 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.366 4.966 0.680 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.571 0.734 1.137 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.534 4.712 -1.756 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.735 0.480 -1.300 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.734 2.470 -2.750 1.00 10.00 H new ATOM 752 N LEU A 65 -4.794 2.332 5.550 1.00 10.00 N ATOM 753 CA LEU A 65 -4.684 2.449 6.993 1.00 10.00 C ATOM 754 C LEU A 65 -3.542 1.597 7.529 1.00 10.00 C ATOM 755 O LEU A 65 -3.344 0.457 7.103 1.00 10.00 O ATOM 756 CB LEU A 65 -5.997 2.033 7.661 1.00 10.00 C ATOM 757 CG LEU A 65 -7.237 2.809 7.207 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.496 2.197 7.800 1.00 10.00 C ATOM 759 CD2 LEU A 65 -7.124 4.275 7.599 1.00 10.00 C ATOM 0 H LEU A 65 -5.087 1.412 5.222 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.474 3.492 7.228 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.162 0.973 7.470 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.890 2.150 8.739 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.301 2.747 6.121 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.367 2.761 7.467 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.587 1.162 7.471 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.438 2.228 8.888 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -8.014 4.810 7.268 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -7.034 4.356 8.682 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.243 4.711 7.128 1.00 10.00 H new ATOM 771 N PHE A 66 -2.790 2.174 8.451 1.00 10.00 N ATOM 772 CA PHE A 66 -1.672 1.501 9.084 1.00 10.00 C ATOM 773 C PHE A 66 -1.668 1.816 10.572 1.00 10.00 C ATOM 774 O PHE A 66 -1.460 2.965 10.968 1.00 10.00 O ATOM 775 CB PHE A 66 -0.347 1.933 8.449 1.00 10.00 C ATOM 776 CG PHE A 66 0.856 1.297 9.089 1.00 10.00 C ATOM 777 CD1 PHE A 66 1.122 -0.048 8.903 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.716 2.043 9.878 1.00 10.00 C ATOM 779 CE1 PHE A 66 2.222 -0.639 9.493 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.817 1.456 10.470 1.00 10.00 C ATOM 781 CZ PHE A 66 3.070 0.114 10.277 1.00 10.00 C ATOM 0 H PHE A 66 -2.940 3.127 8.782 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.781 0.426 8.941 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.361 1.681 7.389 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.256 3.017 8.518 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.462 -0.643 8.289 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.524 3.095 10.032 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.418 -1.690 9.340 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.480 2.048 11.084 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.931 -0.346 10.739 1.00 10.00 H new ATOM 791 N GLU A 67 -1.927 0.796 11.383 1.00 10.00 N ATOM 792 CA GLU A 67 -1.962 0.932 12.837 1.00 10.00 C ATOM 793 C GLU A 67 -3.041 1.918 13.281 1.00 10.00 C ATOM 794 O GLU A 67 -2.934 2.536 14.341 1.00 10.00 O ATOM 795 CB GLU A 67 -0.591 1.359 13.376 1.00 10.00 C ATOM 796 CG GLU A 67 0.461 0.263 13.301 1.00 10.00 C ATOM 797 CD GLU A 67 0.047 -0.990 14.041 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.503 -1.910 13.400 1.00 10.00 O ATOM 799 OE2 GLU A 67 0.265 -1.060 15.270 1.00 10.00 O ATOM 0 H GLU A 67 -2.119 -0.149 11.052 1.00 10.00 H new ATOM 0 HA GLU A 67 -2.211 -0.045 13.252 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -0.242 2.225 12.813 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.700 1.676 14.413 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.651 0.018 12.256 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.398 0.634 13.717 1.00 10.00 H new ATOM 806 N GLY A 68 -4.081 2.064 12.468 1.00 10.00 N ATOM 807 CA GLY A 68 -5.170 2.963 12.804 1.00 10.00 C ATOM 808 C GLY A 68 -5.073 4.312 12.119 1.00 10.00 C ATOM 809 O GLY A 68 -6.078 5.010 11.972 1.00 10.00 O ATOM 0 H GLY A 68 -4.190 1.575 11.580 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -6.115 2.493 12.532 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -5.187 3.113 13.884 1.00 10.00 H new ATOM 813 N GLN A 69 -3.874 4.686 11.700 1.00 10.00 N ATOM 814 CA GLN A 69 -3.675 5.968 11.037 1.00 10.00 C ATOM 815 C GLN A 69 -3.614 5.782 9.530 1.00 10.00 C ATOM 816 O GLN A 69 -3.206 4.732 9.046 1.00 10.00 O ATOM 817 CB GLN A 69 -2.395 6.652 11.525 1.00 10.00 C ATOM 818 CG GLN A 69 -1.618 5.861 12.564 1.00 10.00 C ATOM 819 CD GLN A 69 -0.309 6.525 12.935 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.300 7.226 12.123 1.00 10.00 O ATOM 821 NE2 GLN A 69 0.133 6.311 14.164 1.00 10.00 N ATOM 0 H GLN A 69 -3.028 4.125 11.806 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.523 6.605 11.287 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.747 6.838 10.668 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -2.654 7.624 11.945 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.229 5.744 13.459 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -1.419 4.860 12.181 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -0.403 5.724 14.804 1.00 10.00 H new ATOM 0 HE22 GLN A 69 1.009 6.733 14.472 1.00 10.00 H new ATOM 830 N ARG A 70 -4.026 6.798 8.790 1.00 10.00 N ATOM 831 CA ARG A 70 -4.010 6.729 7.336 1.00 10.00 C ATOM 832 C ARG A 70 -2.635 7.099 6.785 1.00 10.00 C ATOM 833 O ARG A 70 -1.889 7.871 7.395 1.00 10.00 O ATOM 834 CB ARG A 70 -5.090 7.635 6.737 1.00 10.00 C ATOM 835 CG ARG A 70 -4.950 9.100 7.114 1.00 10.00 C ATOM 836 CD ARG A 70 -6.169 9.896 6.687 1.00 10.00 C ATOM 837 NE ARG A 70 -6.284 9.993 5.232 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.428 9.852 4.558 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.566 9.606 5.196 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.431 9.965 3.240 1.00 10.00 N ATOM 0 H ARG A 70 -4.375 7.678 9.169 1.00 10.00 H new ATOM 0 HA ARG A 70 -4.225 5.700 7.048 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -5.062 7.546 5.651 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -6.068 7.279 7.061 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.813 9.189 8.192 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -4.058 9.515 6.644 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -7.067 9.427 7.090 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -6.114 10.898 7.113 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.436 10.180 4.698 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.573 9.523 6.213 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.433 9.500 4.670 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.562 10.159 2.743 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.303 9.858 2.721 1.00 10.00 H new ATOM 854 N ILE A 71 -2.309 6.529 5.635 1.00 10.00 N ATOM 855 CA ILE A 71 -1.033 6.769 4.975 1.00 10.00 C ATOM 856 C ILE A 71 -1.048 8.081 4.193 1.00 10.00 C ATOM 857 O ILE A 71 -1.978 8.355 3.426 1.00 10.00 O ATOM 858 CB ILE A 71 -0.685 5.604 4.017 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.476 4.307 4.805 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.547 5.929 3.181 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.638 4.387 5.829 1.00 10.00 C ATOM 0 H ILE A 71 -2.921 5.887 5.132 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.273 6.836 5.754 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.524 5.465 3.336 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.405 4.047 5.312 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.257 3.499 4.106 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.768 5.093 2.518 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.358 6.823 2.587 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.398 6.104 3.840 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.726 3.432 6.346 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.578 4.615 5.327 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.413 5.172 6.551 1.00 10.00 H new ATOM 873 N ALA A 72 -0.012 8.882 4.393 1.00 10.00 N ATOM 874 CA ALA A 72 0.123 10.156 3.709 1.00 10.00 C ATOM 875 C ALA A 72 0.770 9.949 2.346 1.00 10.00 C ATOM 876 O ALA A 72 1.354 8.897 2.081 1.00 10.00 O ATOM 877 CB ALA A 72 0.940 11.127 4.551 1.00 10.00 C ATOM 0 H ALA A 72 0.754 8.667 5.031 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.868 10.585 3.562 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.032 12.077 4.024 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.441 11.289 5.507 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.932 10.711 4.725 1.00 10.00 H new ATOM 883 N ASP A 73 0.680 10.955 1.488 1.00 10.00 N ATOM 884 CA ASP A 73 1.241 10.862 0.143 1.00 10.00 C ATOM 885 C ASP A 73 2.762 10.948 0.152 1.00 10.00 C ATOM 886 O ASP A 73 3.413 10.537 -0.804 1.00 10.00 O ATOM 887 CB ASP A 73 0.667 11.958 -0.753 1.00 10.00 C ATOM 888 CG ASP A 73 -0.513 11.471 -1.569 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.541 11.098 -0.968 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.419 11.458 -2.814 1.00 10.00 O ATOM 0 H ASP A 73 0.225 11.844 1.696 1.00 10.00 H new ATOM 0 HA ASP A 73 0.963 9.886 -0.254 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.357 12.803 -0.138 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.445 12.321 -1.424 1.00 10.00 H new ATOM 895 N ASN A 74 3.328 11.469 1.231 1.00 10.00 N ATOM 896 CA ASN A 74 4.777 11.604 1.334 1.00 10.00 C ATOM 897 C ASN A 74 5.351 10.686 2.411 1.00 10.00 C ATOM 898 O ASN A 74 6.441 10.928 2.930 1.00 10.00 O ATOM 899 CB ASN A 74 5.166 13.059 1.628 1.00 10.00 C ATOM 900 CG ASN A 74 4.831 13.489 3.046 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.736 13.231 3.547 1.00 10.00 O ATOM 902 ND2 ASN A 74 5.779 14.130 3.708 1.00 10.00 N ATOM 0 H ASN A 74 2.811 11.804 2.044 1.00 10.00 H new ATOM 0 HA ASN A 74 5.200 11.308 0.374 1.00 10.00 H new ATOM 0 HB2 ASN A 74 6.236 13.184 1.460 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.654 13.715 0.925 1.00 10.00 H new ATOM 0 HD21 ASN A 74 5.616 14.430 4.669 1.00 10.00 H new ATOM 0 HD22 ASN A 74 6.673 14.325 3.257 1.00 10.00 H new ATOM 909 N HIS A 75 4.632 9.622 2.738 1.00 10.00 N ATOM 910 CA HIS A 75 5.096 8.688 3.756 1.00 10.00 C ATOM 911 C HIS A 75 6.236 7.817 3.222 1.00 10.00 C ATOM 912 O HIS A 75 6.296 7.500 2.031 1.00 10.00 O ATOM 913 CB HIS A 75 3.949 7.803 4.250 1.00 10.00 C ATOM 914 CG HIS A 75 3.399 8.206 5.585 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.114 7.884 5.960 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.993 8.886 6.594 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.958 8.369 7.179 1.00 10.00 C ATOM 918 NE2 HIS A 75 3.069 8.985 7.601 1.00 10.00 N ATOM 0 H HIS A 75 3.733 9.384 2.318 1.00 10.00 H new ATOM 0 HA HIS A 75 5.470 9.274 4.595 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.144 7.825 3.515 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.298 6.772 4.309 1.00 10.00 H new ATOM 0 HD2 HIS A 75 5.000 9.275 6.603 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.052 8.280 7.760 1.00 10.00 H new ATOM 0 HE2 HIS A 75 3.203 9.442 8.503 1.00 10.00 H new ATOM 926 N THR A 76 7.151 7.459 4.108 1.00 10.00 N ATOM 927 CA THR A 76 8.289 6.623 3.754 1.00 10.00 C ATOM 928 C THR A 76 8.184 5.269 4.463 1.00 10.00 C ATOM 929 O THR A 76 7.809 5.216 5.630 1.00 10.00 O ATOM 930 CB THR A 76 9.609 7.315 4.150 1.00 10.00 C ATOM 931 OG1 THR A 76 9.371 8.708 4.405 1.00 10.00 O ATOM 932 CG2 THR A 76 10.655 7.171 3.051 1.00 10.00 C ATOM 0 H THR A 76 7.127 7.738 5.089 1.00 10.00 H new ATOM 0 HA THR A 76 8.283 6.467 2.675 1.00 10.00 H new ATOM 0 HB THR A 76 9.987 6.834 5.052 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.822 8.804 5.211 1.00 10.00 H new ATOM 0 HG21 THR A 76 11.575 7.668 3.357 1.00 10.00 H new ATOM 0 HG22 THR A 76 10.855 6.114 2.875 1.00 10.00 H new ATOM 0 HG23 THR A 76 10.284 7.628 2.133 1.00 10.00 H new ATOM 940 N PRO A 77 8.506 4.155 3.777 1.00 10.00 N ATOM 941 CA PRO A 77 8.422 2.805 4.366 1.00 10.00 C ATOM 942 C PRO A 77 9.327 2.616 5.587 1.00 10.00 C ATOM 943 O PRO A 77 9.120 1.708 6.396 1.00 10.00 O ATOM 944 CB PRO A 77 8.880 1.881 3.231 1.00 10.00 C ATOM 945 CG PRO A 77 8.721 2.681 1.986 1.00 10.00 C ATOM 946 CD PRO A 77 8.962 4.110 2.375 1.00 10.00 C ATOM 0 HA PRO A 77 7.415 2.604 4.730 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.916 1.571 3.370 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.278 0.973 3.195 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.430 2.360 1.223 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.723 2.554 1.566 1.00 10.00 H new ATOM 0 HD2 PRO A 77 10.014 4.381 2.284 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.400 4.800 1.746 1.00 10.00 H new ATOM 954 N LYS A 78 10.334 3.466 5.712 1.00 10.00 N ATOM 955 CA LYS A 78 11.269 3.383 6.827 1.00 10.00 C ATOM 956 C LYS A 78 10.665 3.963 8.106 1.00 10.00 C ATOM 957 O LYS A 78 10.890 3.437 9.196 1.00 10.00 O ATOM 958 CB LYS A 78 12.577 4.104 6.479 1.00 10.00 C ATOM 959 CG LYS A 78 13.642 4.037 7.570 1.00 10.00 C ATOM 960 CD LYS A 78 14.045 2.603 7.891 1.00 10.00 C ATOM 961 CE LYS A 78 14.816 1.959 6.748 1.00 10.00 C ATOM 962 NZ LYS A 78 15.174 0.550 7.049 1.00 10.00 N ATOM 0 H LYS A 78 10.526 4.222 5.055 1.00 10.00 H new ATOM 0 HA LYS A 78 11.482 2.329 7.007 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.983 3.673 5.564 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.356 5.150 6.267 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.521 4.598 7.253 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.266 4.518 8.473 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.657 2.591 8.793 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.153 2.014 8.104 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.216 1.995 5.839 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.723 2.531 6.554 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 15.698 0.146 6.247 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 15.768 0.517 7.902 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 14.307 -0.002 7.209 1.00 10.00 H new ATOM 976 N GLU A 79 9.876 5.024 7.973 1.00 10.00 N ATOM 977 CA GLU A 79 9.268 5.658 9.136 1.00 10.00 C ATOM 978 C GLU A 79 8.077 4.845 9.641 1.00 10.00 C ATOM 979 O GLU A 79 7.651 3.884 8.985 1.00 10.00 O ATOM 980 CB GLU A 79 8.844 7.095 8.810 1.00 10.00 C ATOM 981 CG GLU A 79 7.633 7.203 7.900 1.00 10.00 C ATOM 982 CD GLU A 79 7.344 8.634 7.494 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.964 9.442 8.368 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.502 8.959 6.300 1.00 10.00 O ATOM 0 H GLU A 79 9.644 5.459 7.080 1.00 10.00 H new ATOM 0 HA GLU A 79 10.014 5.693 9.930 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.630 7.618 9.742 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.682 7.610 8.341 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.798 6.601 7.007 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.762 6.789 8.408 1.00 10.00 H new ATOM 991 N LEU A 80 7.558 5.234 10.810 1.00 10.00 N ATOM 992 CA LEU A 80 6.418 4.562 11.446 1.00 10.00 C ATOM 993 C LEU A 80 6.819 3.189 11.988 1.00 10.00 C ATOM 994 O LEU A 80 6.903 2.994 13.200 1.00 10.00 O ATOM 995 CB LEU A 80 5.231 4.436 10.479 1.00 10.00 C ATOM 996 CG LEU A 80 4.229 5.591 10.523 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.390 5.620 9.255 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.337 5.472 11.748 1.00 10.00 C ATOM 0 H LEU A 80 7.917 6.026 11.344 1.00 10.00 H new ATOM 0 HA LEU A 80 6.103 5.181 12.286 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.618 4.350 9.464 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.702 3.509 10.698 1.00 10.00 H new ATOM 0 HG LEU A 80 4.785 6.527 10.588 1.00 10.00 H new ATOM 0 HD11 LEU A 80 2.683 6.448 9.305 1.00 10.00 H new ATOM 0 HD12 LEU A 80 4.041 5.750 8.391 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.843 4.682 9.159 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.630 6.301 11.765 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.791 4.530 11.710 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.950 5.500 12.649 1.00 10.00 H new ATOM 1010 N GLY A 81 7.073 2.243 11.094 1.00 10.00 N ATOM 1011 CA GLY A 81 7.467 0.915 11.521 1.00 10.00 C ATOM 1012 C GLY A 81 6.861 -0.184 10.674 1.00 10.00 C ATOM 1013 O GLY A 81 6.093 -1.005 11.173 1.00 10.00 O ATOM 0 H GLY A 81 7.014 2.371 10.084 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.554 0.836 11.486 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.170 0.771 12.560 1.00 10.00 H new ATOM 1017 N MET A 82 7.207 -0.201 9.396 1.00 10.00 N ATOM 1018 CA MET A 82 6.706 -1.217 8.476 1.00 10.00 C ATOM 1019 C MET A 82 7.761 -2.293 8.286 1.00 10.00 C ATOM 1020 O MET A 82 8.915 -1.982 7.992 1.00 10.00 O ATOM 1021 CB MET A 82 6.354 -0.597 7.124 1.00 10.00 C ATOM 1022 CG MET A 82 5.109 0.268 7.157 1.00 10.00 C ATOM 1023 SD MET A 82 4.828 1.139 5.604 1.00 10.00 S ATOM 1024 CE MET A 82 3.445 2.178 6.065 1.00 10.00 C ATOM 0 H MET A 82 7.835 0.479 8.969 1.00 10.00 H new ATOM 0 HA MET A 82 5.803 -1.657 8.900 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.195 0.005 6.780 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.213 -1.394 6.394 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.244 -0.356 7.381 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.197 0.994 7.966 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.010 2.623 5.170 1.00 10.00 H new ATOM 0 HE2 MET A 82 2.692 1.576 6.574 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.790 2.968 6.732 1.00 10.00 H new ATOM 1034 N GLU A 83 7.376 -3.549 8.452 1.00 10.00 N ATOM 1035 CA GLU A 83 8.318 -4.652 8.308 1.00 10.00 C ATOM 1036 C GLU A 83 7.773 -5.737 7.387 1.00 10.00 C ATOM 1037 O GLU A 83 6.718 -5.578 6.774 1.00 10.00 O ATOM 1038 CB GLU A 83 8.635 -5.255 9.676 1.00 10.00 C ATOM 1039 CG GLU A 83 9.338 -4.297 10.621 1.00 10.00 C ATOM 1040 CD GLU A 83 10.791 -4.088 10.256 1.00 10.00 C ATOM 1041 OE1 GLU A 83 11.629 -4.930 10.639 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.107 -3.080 9.595 1.00 10.00 O ATOM 0 H GLU A 83 6.424 -3.831 8.685 1.00 10.00 H new ATOM 0 HA GLU A 83 9.229 -4.252 7.862 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.707 -5.591 10.138 1.00 10.00 H new ATOM 0 HB3 GLU A 83 9.260 -6.138 9.538 1.00 10.00 H new ATOM 0 HG2 GLU A 83 8.822 -3.337 10.611 1.00 10.00 H new ATOM 0 HG3 GLU A 83 9.274 -4.682 11.639 1.00 10.00 H new ATOM 1049 N GLU A 84 8.510 -6.836 7.296 1.00 10.00 N ATOM 1050 CA GLU A 84 8.120 -7.964 6.462 1.00 10.00 C ATOM 1051 C GLU A 84 6.906 -8.669 7.066 1.00 10.00 C ATOM 1052 O GLU A 84 6.803 -8.804 8.290 1.00 10.00 O ATOM 1053 CB GLU A 84 9.298 -8.940 6.322 1.00 10.00 C ATOM 1054 CG GLU A 84 8.993 -10.175 5.482 1.00 10.00 C ATOM 1055 CD GLU A 84 8.927 -9.886 3.992 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.096 -8.717 3.596 1.00 10.00 O ATOM 1057 OE2 GLU A 84 8.717 -10.838 3.205 1.00 10.00 O ATOM 0 H GLU A 84 9.389 -6.970 7.795 1.00 10.00 H new ATOM 0 HA GLU A 84 7.848 -7.600 5.471 1.00 10.00 H new ATOM 0 HB2 GLU A 84 10.141 -8.412 5.877 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.610 -9.259 7.316 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.759 -10.929 5.665 1.00 10.00 H new ATOM 0 HG3 GLU A 84 8.043 -10.600 5.805 1.00 10.00 H new ATOM 1064 N GLU A 85 5.985 -9.089 6.197 1.00 10.00 N ATOM 1065 CA GLU A 85 4.761 -9.782 6.606 1.00 10.00 C ATOM 1066 C GLU A 85 3.828 -8.836 7.353 1.00 10.00 C ATOM 1067 O GLU A 85 2.990 -9.268 8.148 1.00 10.00 O ATOM 1068 CB GLU A 85 5.077 -11.006 7.476 1.00 10.00 C ATOM 1069 CG GLU A 85 5.712 -12.154 6.710 1.00 10.00 C ATOM 1070 CD GLU A 85 4.804 -12.711 5.635 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.970 -12.337 4.459 1.00 10.00 O ATOM 1072 OE2 GLU A 85 3.925 -13.534 5.964 1.00 10.00 O ATOM 0 H GLU A 85 6.066 -8.958 5.189 1.00 10.00 H new ATOM 0 HA GLU A 85 4.261 -10.127 5.701 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.746 -10.705 8.282 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.156 -11.357 7.941 1.00 10.00 H new ATOM 0 HG2 GLU A 85 6.641 -11.811 6.254 1.00 10.00 H new ATOM 0 HG3 GLU A 85 5.974 -12.950 7.407 1.00 10.00 H new ATOM 1079 N ASP A 86 3.974 -7.545 7.089 1.00 10.00 N ATOM 1080 CA ASP A 86 3.147 -6.533 7.731 1.00 10.00 C ATOM 1081 C ASP A 86 1.723 -6.597 7.194 1.00 10.00 C ATOM 1082 O ASP A 86 1.486 -7.145 6.118 1.00 10.00 O ATOM 1083 CB ASP A 86 3.731 -5.141 7.498 1.00 10.00 C ATOM 1084 CG ASP A 86 3.570 -4.240 8.704 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.416 -3.932 9.067 1.00 10.00 O ATOM 1086 OD2 ASP A 86 4.595 -3.835 9.291 1.00 10.00 O ATOM 0 H ASP A 86 4.660 -7.173 6.432 1.00 10.00 H new ATOM 0 HA ASP A 86 3.130 -6.731 8.803 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.789 -5.230 7.253 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.242 -4.684 6.638 1.00 10.00 H new ATOM 1091 N VAL A 87 0.780 -6.036 7.933 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.618 -6.056 7.523 1.00 10.00 C ATOM 1093 C VAL A 87 -1.129 -4.640 7.280 1.00 10.00 C ATOM 1094 O VAL A 87 -0.972 -3.761 8.129 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.512 -6.745 8.577 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -2.935 -6.897 8.060 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -0.940 -8.100 8.970 1.00 10.00 C ATOM 0 H VAL A 87 0.955 -5.561 8.819 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.670 -6.627 6.596 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.535 -6.113 9.465 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.547 -7.385 8.818 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.348 -5.913 7.837 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -2.930 -7.502 7.153 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.587 -8.566 9.713 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -0.880 -8.739 8.089 1.00 10.00 H new ATOM 0 HG23 VAL A 87 0.057 -7.966 9.389 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.734 -4.420 6.123 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.260 -3.108 5.772 1.00 10.00 C ATOM 1109 C ILE A 88 -3.719 -3.205 5.326 1.00 10.00 C ATOM 1110 O ILE A 88 -4.094 -4.118 4.585 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.406 -2.445 4.661 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.087 -1.176 4.127 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.133 -3.432 3.532 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.318 -0.490 3.016 1.00 10.00 C ATOM 0 H ILE A 88 -1.874 -5.135 5.409 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.211 -2.484 6.664 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.450 -2.153 5.097 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -3.081 -1.435 3.762 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -2.222 -0.474 4.950 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.532 -2.947 2.762 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.593 -4.294 3.925 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.078 -3.762 3.101 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.862 0.397 2.691 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -0.333 -0.199 3.381 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -1.205 -1.174 2.175 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.539 -2.275 5.802 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.953 -2.244 5.450 1.00 10.00 C ATOM 1128 C GLU A 89 -6.228 -1.106 4.472 1.00 10.00 C ATOM 1129 O GLU A 89 -5.547 -0.079 4.493 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.820 -2.071 6.700 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.762 -3.252 7.658 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.853 -3.202 8.710 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.983 -3.655 8.424 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.591 -2.713 9.829 1.00 10.00 O ATOM 0 H GLU A 89 -4.247 -1.530 6.435 1.00 10.00 H new ATOM 0 HA GLU A 89 -6.206 -3.193 4.978 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.504 -1.171 7.228 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.854 -1.914 6.394 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.850 -4.179 7.092 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.789 -3.270 8.149 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.221 -1.288 3.617 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.578 -0.272 2.640 1.00 10.00 C ATOM 1143 C VAL A 90 -9.098 -0.133 2.543 1.00 10.00 C ATOM 1144 O VAL A 90 -9.817 -1.112 2.332 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.971 -0.587 1.249 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.391 -1.967 0.761 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.350 0.483 0.236 1.00 10.00 C ATOM 0 H VAL A 90 -7.795 -2.131 3.580 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.161 0.677 2.978 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.886 -0.587 1.354 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.949 -2.157 -0.217 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -7.048 -2.723 1.468 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.477 -2.010 0.682 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.912 0.239 -0.732 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.435 0.527 0.142 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.975 1.450 0.571 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.587 1.086 2.714 1.00 10.00 N ATOM 1158 CA TYR A 91 -11.017 1.345 2.658 1.00 10.00 C ATOM 1159 C TYR A 91 -11.328 2.481 1.699 1.00 10.00 C ATOM 1160 O TYR A 91 -10.499 3.354 1.476 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.559 1.650 4.055 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.777 0.402 4.876 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.957 -0.318 4.767 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.801 -0.061 5.747 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -13.160 -1.467 5.501 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.998 -1.210 6.489 1.00 10.00 C ATOM 1167 CZ TYR A 91 -12.180 -1.908 6.360 1.00 10.00 C ATOM 1168 OH TYR A 91 -12.384 -3.058 7.086 1.00 10.00 O ATOM 0 H TYR A 91 -9.014 1.911 2.893 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.511 0.448 2.284 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -10.862 2.307 4.576 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.501 2.191 3.966 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.730 0.027 4.096 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.874 0.484 5.846 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -14.084 -2.018 5.402 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -10.231 -1.559 7.165 1.00 10.00 H new ATOM 0 HH TYR A 91 -13.112 -3.575 6.682 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.521 2.460 1.127 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.929 3.491 0.184 1.00 10.00 C ATOM 1180 C GLN A 92 -13.218 4.800 0.906 1.00 10.00 C ATOM 1181 O GLN A 92 -13.808 4.805 1.986 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.166 3.040 -0.591 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.471 3.905 -1.804 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.929 3.850 -2.207 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -16.344 2.974 -2.965 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.716 4.790 -1.705 1.00 10.00 N ATOM 0 H GLN A 92 -13.224 1.741 1.298 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.110 3.655 -0.516 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -14.025 2.009 -0.916 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.027 3.049 0.077 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.197 4.937 -1.588 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.854 3.580 -2.642 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -16.330 5.498 -1.080 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.708 4.806 -1.944 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.792 5.905 0.308 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.017 7.222 0.880 1.00 10.00 C ATOM 1197 C GLU A 93 -14.455 7.659 0.630 1.00 10.00 C ATOM 1198 O GLU A 93 -15.128 7.125 -0.255 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.046 8.235 0.269 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.640 8.156 0.839 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.473 8.986 2.095 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.026 8.608 3.149 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -9.779 10.024 2.035 1.00 10.00 O ATOM 0 H GLU A 93 -12.286 5.913 -0.578 1.00 10.00 H new ATOM 0 HA GLU A 93 -12.843 7.174 1.955 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -12.001 8.077 -0.809 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.437 9.240 0.428 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.400 7.116 1.061 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -9.927 8.495 0.087 1.00 10.00 H new ATOM 1210 N GLN A 94 -14.922 8.628 1.409 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.281 9.133 1.265 1.00 10.00 C ATOM 1212 C GLN A 94 -16.424 9.917 -0.035 1.00 10.00 C ATOM 1213 O GLN A 94 -17.472 9.878 -0.683 1.00 10.00 O ATOM 1214 CB GLN A 94 -16.659 10.013 2.461 1.00 10.00 C ATOM 1215 CG GLN A 94 -17.987 10.731 2.290 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.439 11.435 3.551 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -17.629 11.808 4.397 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.739 11.626 3.686 1.00 10.00 N ATOM 0 H GLN A 94 -14.380 9.079 2.146 1.00 10.00 H new ATOM 0 HA GLN A 94 -16.961 8.282 1.234 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.702 9.395 3.358 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -15.874 10.752 2.621 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -17.900 11.459 1.484 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -18.748 10.011 1.988 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -20.380 11.302 2.962 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -20.102 12.098 4.514 1.00 10.00 H new ATOM 1227 N THR A 95 -15.362 10.616 -0.414 1.00 10.00 N ATOM 1228 CA THR A 95 -15.357 11.399 -1.641 1.00 10.00 C ATOM 1229 C THR A 95 -15.587 10.504 -2.856 1.00 10.00 C ATOM 1230 O THR A 95 -16.248 10.894 -3.819 1.00 10.00 O ATOM 1231 CB THR A 95 -14.022 12.142 -1.810 1.00 10.00 C ATOM 1232 OG1 THR A 95 -12.955 11.331 -1.301 1.00 10.00 O ATOM 1233 CG2 THR A 95 -14.045 13.475 -1.083 1.00 10.00 C ATOM 0 H THR A 95 -14.490 10.656 0.114 1.00 10.00 H new ATOM 0 HA THR A 95 -16.167 12.125 -1.570 1.00 10.00 H new ATOM 0 HB THR A 95 -13.865 12.335 -2.871 1.00 10.00 H new ATOM 0 HG1 THR A 95 -12.104 11.804 -1.410 1.00 10.00 H new ATOM 0 HG21 THR A 95 -13.089 13.980 -1.219 1.00 10.00 H new ATOM 0 HG22 THR A 95 -14.844 14.096 -1.487 1.00 10.00 H new ATOM 0 HG23 THR A 95 -14.219 13.307 -0.020 1.00 10.00 H new ATOM 1241 N GLY A 96 -15.042 9.295 -2.793 1.00 10.00 N ATOM 1242 CA GLY A 96 -15.191 8.351 -3.882 1.00 10.00 C ATOM 1243 C GLY A 96 -13.989 8.353 -4.800 1.00 10.00 C ATOM 1244 O GLY A 96 -13.675 7.341 -5.430 1.00 10.00 O ATOM 0 H GLY A 96 -14.497 8.951 -2.002 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.336 7.350 -3.477 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -16.085 8.596 -4.455 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.312 9.489 -4.862 1.00 10.00 N ATOM 1249 CA GLY A 97 -12.142 9.625 -5.706 1.00 10.00 C ATOM 1250 C GLY A 97 -11.518 10.999 -5.584 1.00 10.00 C ATOM 1251 O GLY A 97 -12.087 11.884 -4.936 1.00 10.00 O ATOM 0 H GLY A 97 -13.555 10.329 -4.337 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.408 8.867 -5.434 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -12.419 9.443 -6.744 1.00 10.00 H new ATOM 1256 N ASP B 195 -7.637 -20.938 -4.110 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.961 -19.520 -4.014 1.00 10.00 C ATOM 1258 C ASP B 195 -7.146 -18.726 -5.030 1.00 10.00 C ATOM 1259 O ASP B 195 -6.517 -19.306 -5.917 1.00 10.00 O ATOM 1260 CB ASP B 195 -7.682 -19.002 -2.600 1.00 10.00 C ATOM 1261 CG ASP B 195 -8.646 -17.908 -2.175 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -9.170 -17.985 -1.047 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -8.892 -16.974 -2.971 1.00 10.00 O ATOM 0 HA ASP B 195 -9.022 -19.391 -4.230 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -7.746 -19.831 -1.895 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.662 -18.620 -2.552 1.00 10.00 H new ATOM 1268 N THR B 196 -7.164 -17.411 -4.895 1.00 10.00 N ATOM 1269 CA THR B 196 -6.439 -16.538 -5.797 1.00 10.00 C ATOM 1270 C THR B 196 -5.425 -15.683 -5.042 1.00 10.00 C ATOM 1271 O THR B 196 -5.748 -15.063 -4.029 1.00 10.00 O ATOM 1272 CB THR B 196 -7.404 -15.622 -6.578 1.00 10.00 C ATOM 1273 OG1 THR B 196 -8.556 -15.320 -5.776 1.00 10.00 O ATOM 1274 CG2 THR B 196 -7.844 -16.282 -7.878 1.00 10.00 C ATOM 0 H THR B 196 -7.678 -16.923 -4.162 1.00 10.00 H new ATOM 0 HA THR B 196 -5.906 -17.175 -6.503 1.00 10.00 H new ATOM 0 HB THR B 196 -6.877 -14.698 -6.817 1.00 10.00 H new ATOM 0 HG1 THR B 196 -9.162 -14.737 -6.280 1.00 10.00 H new ATOM 0 HG21 THR B 196 -8.524 -15.618 -8.411 1.00 10.00 H new ATOM 0 HG22 THR B 196 -6.970 -16.482 -8.499 1.00 10.00 H new ATOM 0 HG23 THR B 196 -8.353 -17.220 -7.656 1.00 10.00 H new ATOM 1282 N ALA B 197 -4.195 -15.682 -5.522 1.00 10.00 N ATOM 1283 CA ALA B 197 -3.141 -14.890 -4.917 1.00 10.00 C ATOM 1284 C ALA B 197 -2.588 -13.905 -5.935 1.00 10.00 C ATOM 1285 O ALA B 197 -2.268 -14.285 -7.062 1.00 10.00 O ATOM 1286 CB ALA B 197 -2.035 -15.780 -4.372 1.00 10.00 C ATOM 0 H ALA B 197 -3.901 -16.224 -6.334 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.560 -14.333 -4.079 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -1.258 -15.161 -3.924 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.446 -16.450 -3.617 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -1.608 -16.368 -5.184 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.485 -12.646 -5.542 1.00 10.00 N ATOM 1293 CA GLY B 198 -1.983 -11.627 -6.441 1.00 10.00 C ATOM 1294 C GLY B 198 -0.719 -10.983 -5.925 1.00 10.00 C ATOM 1295 O GLY B 198 -0.649 -10.588 -4.758 1.00 10.00 O ATOM 0 H GLY B 198 -2.741 -12.310 -4.614 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -1.790 -12.070 -7.418 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.747 -10.862 -6.583 1.00 10.00 H new ATOM 1299 N CYS B 199 0.289 -10.891 -6.779 1.00 10.00 N ATOM 1300 CA CYS B 199 1.553 -10.294 -6.393 1.00 10.00 C ATOM 1301 C CYS B 199 1.869 -9.074 -7.258 1.00 10.00 C ATOM 1302 O CYS B 199 1.845 -9.140 -8.490 1.00 10.00 O ATOM 1303 CB CYS B 199 2.671 -11.334 -6.501 1.00 10.00 C ATOM 1304 SG CYS B 199 2.391 -12.807 -5.488 1.00 10.00 S ATOM 0 H CYS B 199 0.254 -11.223 -7.743 1.00 10.00 H new ATOM 0 HA CYS B 199 1.478 -9.958 -5.359 1.00 10.00 H new ATOM 0 HB2 CYS B 199 2.776 -11.635 -7.543 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.614 -10.874 -6.205 1.00 10.00 H new ATOM 0 HG CYS B 199 3.383 -13.634 -5.641 1.00 10.00 H new ATOM 1310 N ILE B 200 2.138 -7.961 -6.594 1.00 10.00 N ATOM 1311 CA ILE B 200 2.456 -6.704 -7.260 1.00 10.00 C ATOM 1312 C ILE B 200 3.806 -6.155 -6.786 1.00 10.00 C ATOM 1313 O ILE B 200 4.106 -6.166 -5.588 1.00 10.00 O ATOM 1314 CB ILE B 200 1.333 -5.666 -7.045 1.00 10.00 C ATOM 1315 CG1 ILE B 200 1.749 -4.273 -7.535 1.00 10.00 C ATOM 1316 CG2 ILE B 200 0.929 -5.620 -5.581 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.581 -3.325 -7.698 1.00 10.00 C ATOM 0 H ILE B 200 2.142 -7.902 -5.576 1.00 10.00 H new ATOM 0 HA ILE B 200 2.532 -6.902 -8.329 1.00 10.00 H new ATOM 0 HB ILE B 200 0.473 -5.978 -7.638 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.461 -3.844 -6.829 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.266 -4.370 -8.490 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.137 -4.884 -5.445 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.569 -6.601 -5.272 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.791 -5.342 -4.974 1.00 10.00 H new ATOM 0 HD11 ILE B 200 0.943 -2.358 -8.047 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -0.120 -3.734 -8.425 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.078 -3.200 -6.739 1.00 10.00 H new ATOM 1329 N VAL B 201 4.633 -5.710 -7.725 1.00 10.00 N ATOM 1330 CA VAL B 201 5.949 -5.171 -7.391 1.00 10.00 C ATOM 1331 C VAL B 201 6.052 -3.697 -7.801 1.00 10.00 C ATOM 1332 O VAL B 201 5.654 -3.311 -8.905 1.00 10.00 O ATOM 1333 CB VAL B 201 7.082 -5.994 -8.047 1.00 10.00 C ATOM 1334 CG1 VAL B 201 7.041 -5.876 -9.562 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.437 -5.570 -7.500 1.00 10.00 C ATOM 0 H VAL B 201 4.418 -5.711 -8.722 1.00 10.00 H new ATOM 0 HA VAL B 201 6.068 -5.242 -6.310 1.00 10.00 H new ATOM 0 HB VAL B 201 6.927 -7.043 -7.796 1.00 10.00 H new ATOM 0 HG11 VAL B 201 7.849 -6.465 -9.995 1.00 10.00 H new ATOM 0 HG12 VAL B 201 6.084 -6.247 -9.930 1.00 10.00 H new ATOM 0 HG13 VAL B 201 7.160 -4.831 -9.849 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.221 -6.160 -7.974 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.600 -4.513 -7.712 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.461 -5.732 -6.422 1.00 10.00 H new ATOM 1345 N ILE B 202 6.547 -2.867 -6.890 1.00 10.00 N ATOM 1346 CA ILE B 202 6.666 -1.434 -7.142 1.00 10.00 C ATOM 1347 C ILE B 202 8.106 -0.952 -7.010 1.00 10.00 C ATOM 1348 O ILE B 202 8.773 -1.247 -6.022 1.00 10.00 O ATOM 1349 CB ILE B 202 5.792 -0.635 -6.139 1.00 10.00 C ATOM 1350 CG1 ILE B 202 6.129 0.854 -6.196 1.00 10.00 C ATOM 1351 CG2 ILE B 202 5.988 -1.161 -4.725 1.00 10.00 C ATOM 1352 CD1 ILE B 202 5.164 1.656 -7.025 1.00 10.00 C ATOM 0 H ILE B 202 6.873 -3.161 -5.969 1.00 10.00 H new ATOM 0 HA ILE B 202 6.327 -1.264 -8.164 1.00 10.00 H new ATOM 0 HB ILE B 202 4.747 -0.766 -6.420 1.00 10.00 H new ATOM 0 HG12 ILE B 202 6.144 1.254 -5.182 1.00 10.00 H new ATOM 0 HG13 ILE B 202 7.133 0.976 -6.602 1.00 10.00 H new ATOM 0 HG21 ILE B 202 5.368 -0.589 -4.035 1.00 10.00 H new ATOM 0 HG22 ILE B 202 5.702 -2.212 -4.685 1.00 10.00 H new ATOM 0 HG23 ILE B 202 7.035 -1.059 -4.441 1.00 10.00 H new ATOM 0 HD11 ILE B 202 5.464 2.704 -7.021 1.00 10.00 H new ATOM 0 HD12 ILE B 202 5.166 1.282 -8.049 1.00 10.00 H new ATOM 0 HD13 ILE B 202 4.162 1.564 -6.607 1.00 10.00 H new