USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 714 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 103 HIS : no HD1:sc= -1.26 K(o=-3.6,f=-0.35) USER MOD Set 1.2: A 112 ASN : amide:sc= -2.37 K(o=-3.6,f=-0.35) USER MOD Set 2.1: A 82 MET CE :methyl 136:sc= -2.75 (180deg=-6.35!) USER MOD Set 2.2: A 96 MET CE :methyl 175:sc= -0.374 (180deg=-0.251) USER MOD Set 3.1: A 75 ASN : amide:sc= -0.552 K(o=-0.6,f=-4.7!) USER MOD Set 3.2: A 78 SER OG : rot 180:sc= -0.0474 USER MOD Set 4.1: A 63 CYS SG : rot 180:sc= 0.679 USER MOD Set 4.2: A 90 CYS SG : rot -103:sc= 1.06 USER MOD Single : A 26 GLN : amide:sc= -1.94! K(o=-1.9!,f=-0.03) USER MOD Single : A 32 THR OG1 : rot -62:sc= 0.113 USER MOD Single : A 33 TYR OH : rot 130:sc= -0.307 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.59) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 163:sc= -0.84 (180deg=-1.38) USER MOD Single : A 46 THR OG1 : rot -95:sc= 1.26 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.54 K(o=-1.5,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0876 USER MOD Single : A 56 SER OG : rot 11:sc= 1.17 USER MOD Single : A 58 GLN : amide:sc= -0.406 K(o=-0.41,f=-3.2!) USER MOD Single : A 65 THR OG1 : rot 135:sc= 1.75 USER MOD Single : A 68 GLN : amide:sc= -0.0689 X(o=-0.069,f=0) USER MOD Single : A 71 SER OG : rot 48:sc= 1.23 USER MOD Single : A 72 MET CE :methyl -157:sc= 0 (180deg=-0.168) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0701 X(o=-0.07,f=-0.07) USER MOD Single : A 94 THR OG1 : rot -92:sc= 0.0521 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.34) USER MOD Single : A 109 GLN : amide:sc= 0.618 K(o=0.62,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc=-0.000515 X(o=-0.00051,f=-0.00051) USER MOD Single : A 120 MET CE :methyl -171:sc= -0.0593 (180deg=-0.261) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N GLN A 26 -8.154 -14.089 -10.844 1.00 0.00 N ATOM 9 CA GLN A 26 -8.540 -14.067 -9.442 1.00 0.00 C ATOM 10 C GLN A 26 -8.069 -15.392 -8.841 1.00 0.00 C ATOM 11 O GLN A 26 -8.542 -16.444 -9.275 1.00 0.00 O ATOM 12 CB GLN A 26 -10.068 -13.884 -9.370 1.00 0.00 C ATOM 13 CG GLN A 26 -10.705 -14.160 -8.000 1.00 0.00 C ATOM 14 CD GLN A 26 -10.237 -13.220 -6.898 1.00 0.00 C ATOM 15 OE1 GLN A 26 -10.889 -12.224 -6.614 1.00 0.00 O ATOM 16 NE2 GLN A 26 -9.157 -13.559 -6.218 1.00 0.00 N ATOM 0 HA GLN A 26 -8.091 -13.248 -8.879 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.308 -12.862 -9.663 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.530 -14.543 -10.105 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.788 -14.084 -8.093 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.482 -15.186 -7.707 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.633 -14.395 -6.477 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.847 -12.985 -5.434 1.00 0.00 H new ATOM 25 N GLU A 27 -7.155 -15.387 -7.865 1.00 0.00 N ATOM 26 CA GLU A 27 -6.630 -16.635 -7.280 1.00 0.00 C ATOM 27 C GLU A 27 -6.351 -16.592 -5.783 1.00 0.00 C ATOM 28 O GLU A 27 -5.745 -17.505 -5.225 1.00 0.00 O ATOM 29 CB GLU A 27 -5.373 -17.077 -8.046 1.00 0.00 C ATOM 30 CG GLU A 27 -4.244 -16.033 -7.995 1.00 0.00 C ATOM 31 CD GLU A 27 -3.065 -16.522 -8.839 1.00 0.00 C ATOM 32 OE1 GLU A 27 -2.207 -17.288 -8.356 1.00 0.00 O ATOM 33 OE2 GLU A 27 -3.030 -16.182 -10.054 1.00 0.00 O ATOM 0 H GLU A 27 -6.761 -14.537 -7.461 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.432 -17.365 -7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.011 -18.017 -7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.636 -17.270 -9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.602 -15.074 -8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.927 -15.873 -6.964 1.00 0.00 H new ATOM 41 N LEU A 28 -6.861 -15.567 -5.124 1.00 0.00 N ATOM 42 CA LEU A 28 -6.661 -15.324 -3.706 1.00 0.00 C ATOM 43 C LEU A 28 -7.858 -14.503 -3.204 1.00 0.00 C ATOM 44 O LEU A 28 -7.999 -13.346 -3.606 1.00 0.00 O ATOM 45 CB LEU A 28 -5.297 -14.625 -3.537 1.00 0.00 C ATOM 46 CG LEU A 28 -4.721 -14.659 -2.115 1.00 0.00 C ATOM 47 CD1 LEU A 28 -4.573 -16.079 -1.561 1.00 0.00 C ATOM 48 CD2 LEU A 28 -3.319 -14.046 -2.143 1.00 0.00 C ATOM 0 H LEU A 28 -7.443 -14.860 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.625 -16.234 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.581 -15.091 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.398 -13.585 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.415 -14.109 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.161 -16.035 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.550 -16.562 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.903 -16.652 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.895 -14.062 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.683 -14.622 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.379 -13.016 -2.495 1.00 0.00 H new ATOM 60 N PRO A 29 -8.794 -15.098 -2.446 1.00 0.00 N ATOM 61 CA PRO A 29 -10.035 -14.452 -2.021 1.00 0.00 C ATOM 62 C PRO A 29 -9.751 -13.440 -0.895 1.00 0.00 C ATOM 63 O PRO A 29 -8.710 -13.557 -0.250 1.00 0.00 O ATOM 64 CB PRO A 29 -10.921 -15.611 -1.545 1.00 0.00 C ATOM 65 CG PRO A 29 -9.906 -16.601 -0.979 1.00 0.00 C ATOM 66 CD PRO A 29 -8.688 -16.429 -1.872 1.00 0.00 C ATOM 0 HA PRO A 29 -10.517 -13.881 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.637 -15.289 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.495 -16.044 -2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.672 -16.381 0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.284 -17.623 -1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.767 -16.534 -1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.666 -17.190 -2.653 1.00 0.00 H new ATOM 74 N PRO A 30 -10.637 -12.460 -0.621 1.00 0.00 N ATOM 75 CA PRO A 30 -10.379 -11.388 0.328 1.00 0.00 C ATOM 76 C PRO A 30 -10.303 -11.876 1.788 1.00 0.00 C ATOM 77 O PRO A 30 -10.850 -12.926 2.134 1.00 0.00 O ATOM 78 CB PRO A 30 -11.458 -10.338 0.091 1.00 0.00 C ATOM 79 CG PRO A 30 -12.621 -11.143 -0.477 1.00 0.00 C ATOM 80 CD PRO A 30 -11.928 -12.270 -1.243 1.00 0.00 C ATOM 0 HA PRO A 30 -9.391 -10.957 0.163 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.735 -9.831 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.124 -9.570 -0.606 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.266 -11.530 0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.247 -10.537 -1.132 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.517 -13.186 -1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.816 -12.011 -2.296 1.00 0.00 H new ATOM 88 N GLY A 31 -9.643 -11.083 2.636 1.00 0.00 N ATOM 89 CA GLY A 31 -9.234 -11.433 3.995 1.00 0.00 C ATOM 90 C GLY A 31 -8.249 -10.384 4.531 1.00 0.00 C ATOM 91 O GLY A 31 -8.333 -9.216 4.131 1.00 0.00 O ATOM 0 H GLY A 31 -9.367 -10.135 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.108 -11.489 4.644 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.768 -12.419 4.002 1.00 0.00 H new ATOM 95 N THR A 32 -7.329 -10.780 5.421 1.00 0.00 N ATOM 96 CA THR A 32 -6.142 -10.017 5.815 1.00 0.00 C ATOM 97 C THR A 32 -4.911 -10.943 5.828 1.00 0.00 C ATOM 98 O THR A 32 -5.051 -12.151 6.023 1.00 0.00 O ATOM 99 CB THR A 32 -6.383 -9.287 7.150 1.00 0.00 C ATOM 100 OG1 THR A 32 -5.231 -8.575 7.531 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.780 -10.180 8.325 1.00 0.00 C ATOM 0 H THR A 32 -7.396 -11.676 5.904 1.00 0.00 H new ATOM 0 HA THR A 32 -5.940 -9.235 5.083 1.00 0.00 H new ATOM 0 HB THR A 32 -7.231 -8.633 6.945 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.489 -9.201 7.664 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.925 -9.567 9.215 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.707 -10.702 8.088 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.991 -10.909 8.511 1.00 0.00 H new ATOM 109 N TYR A 33 -3.705 -10.400 5.614 1.00 0.00 N ATOM 110 CA TYR A 33 -2.446 -11.137 5.712 1.00 0.00 C ATOM 111 C TYR A 33 -1.397 -10.287 6.417 1.00 0.00 C ATOM 112 O TYR A 33 -1.307 -9.077 6.205 1.00 0.00 O ATOM 113 CB TYR A 33 -1.932 -11.665 4.357 1.00 0.00 C ATOM 114 CG TYR A 33 -2.383 -10.971 3.079 1.00 0.00 C ATOM 115 CD1 TYR A 33 -2.080 -9.619 2.812 1.00 0.00 C ATOM 116 CD2 TYR A 33 -3.095 -11.715 2.122 1.00 0.00 C ATOM 117 CE1 TYR A 33 -2.477 -9.014 1.606 1.00 0.00 C ATOM 118 CE2 TYR A 33 -3.469 -11.125 0.902 1.00 0.00 C ATOM 119 CZ TYR A 33 -3.133 -9.780 0.620 1.00 0.00 C ATOM 120 OH TYR A 33 -3.410 -9.239 -0.600 1.00 0.00 O ATOM 0 H TYR A 33 -3.579 -9.419 5.364 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.645 -12.027 6.309 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.843 -11.633 4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.219 -12.714 4.282 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.536 -9.041 3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.356 -12.743 2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.280 -7.966 1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.018 -11.704 0.174 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.099 -9.845 -1.305 1.00 0.00 H new ATOM 130 N ARG A 34 -0.601 -10.922 7.275 1.00 0.00 N ATOM 131 CA ARG A 34 0.391 -10.288 8.127 1.00 0.00 C ATOM 132 C ARG A 34 1.681 -10.228 7.342 1.00 0.00 C ATOM 133 O ARG A 34 2.327 -11.265 7.165 1.00 0.00 O ATOM 134 CB ARG A 34 0.515 -11.091 9.430 1.00 0.00 C ATOM 135 CG ARG A 34 1.261 -10.370 10.554 1.00 0.00 C ATOM 136 CD ARG A 34 2.748 -10.087 10.303 1.00 0.00 C ATOM 137 NE ARG A 34 3.630 -10.508 11.399 1.00 0.00 N ATOM 138 CZ ARG A 34 3.591 -10.236 12.707 1.00 0.00 C ATOM 139 NH1 ARG A 34 2.610 -9.527 13.258 1.00 0.00 N ATOM 140 NH2 ARG A 34 4.552 -10.720 13.477 1.00 0.00 N ATOM 0 H ARG A 34 -0.635 -11.934 7.397 1.00 0.00 H new ATOM 0 HA ARG A 34 0.113 -9.273 8.411 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.485 -11.346 9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.027 -12.029 9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.759 -9.422 10.746 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.174 -10.967 11.462 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.054 -10.595 9.388 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.880 -9.018 10.134 1.00 0.00 H new ATOM 0 HE ARG A 34 4.403 -11.110 11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.851 -9.169 12.678 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.616 -9.341 14.261 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.297 -11.285 13.069 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.548 -10.528 14.479 1.00 0.00 H new ATOM 154 N VAL A 35 2.050 -9.041 6.876 1.00 0.00 N ATOM 155 CA VAL A 35 3.230 -8.850 6.047 1.00 0.00 C ATOM 156 C VAL A 35 3.879 -7.507 6.333 1.00 0.00 C ATOM 157 O VAL A 35 3.303 -6.660 7.015 1.00 0.00 O ATOM 158 CB VAL A 35 2.860 -9.022 4.559 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.531 -10.481 4.225 1.00 0.00 C ATOM 160 CG2 VAL A 35 1.706 -8.110 4.113 1.00 0.00 C ATOM 0 H VAL A 35 1.535 -8.181 7.064 1.00 0.00 H new ATOM 0 HA VAL A 35 3.970 -9.612 6.292 1.00 0.00 H new ATOM 0 HB VAL A 35 3.747 -8.720 4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.275 -10.564 3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.397 -11.107 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.686 -10.811 4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.495 -8.280 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.816 -8.335 4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.987 -7.068 4.264 1.00 0.00 H new ATOM 170 N ASP A 36 5.089 -7.348 5.801 1.00 0.00 N ATOM 171 CA ASP A 36 5.941 -6.188 5.962 1.00 0.00 C ATOM 172 C ASP A 36 5.687 -5.346 4.731 1.00 0.00 C ATOM 173 O ASP A 36 6.059 -5.731 3.621 1.00 0.00 O ATOM 174 CB ASP A 36 7.438 -6.526 6.076 1.00 0.00 C ATOM 175 CG ASP A 36 7.771 -7.703 6.987 1.00 0.00 C ATOM 176 OD1 ASP A 36 7.158 -7.803 8.081 1.00 0.00 O ATOM 177 OD2 ASP A 36 8.608 -8.546 6.608 1.00 0.00 O ATOM 0 H ASP A 36 5.517 -8.066 5.217 1.00 0.00 H new ATOM 0 HA ASP A 36 5.703 -5.679 6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.823 -6.739 5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.966 -5.645 6.440 1.00 0.00 H new ATOM 183 N ILE A 37 4.987 -4.234 4.910 1.00 0.00 N ATOM 184 CA ILE A 37 4.844 -3.225 3.887 1.00 0.00 C ATOM 185 C ILE A 37 6.250 -2.698 3.613 1.00 0.00 C ATOM 186 O ILE A 37 6.868 -2.102 4.494 1.00 0.00 O ATOM 187 CB ILE A 37 3.821 -2.147 4.319 1.00 0.00 C ATOM 188 CG1 ILE A 37 2.438 -2.725 4.730 1.00 0.00 C ATOM 189 CG2 ILE A 37 3.627 -1.160 3.151 1.00 0.00 C ATOM 190 CD1 ILE A 37 2.296 -3.103 6.214 1.00 0.00 C ATOM 0 H ILE A 37 4.501 -4.012 5.779 1.00 0.00 H new ATOM 0 HA ILE A 37 4.431 -3.619 2.958 1.00 0.00 H new ATOM 0 HB ILE A 37 4.227 -1.657 5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.669 -1.992 4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.239 -3.611 4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.908 -0.393 3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.581 -0.691 2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.255 -1.697 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.295 -3.496 6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.035 -3.862 6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.456 -2.219 6.832 1.00 0.00 H new ATOM 202 N TYR A 38 6.756 -2.979 2.414 1.00 0.00 N ATOM 203 CA TYR A 38 8.049 -2.550 1.910 1.00 0.00 C ATOM 204 C TYR A 38 7.727 -1.529 0.844 1.00 0.00 C ATOM 205 O TYR A 38 7.012 -1.866 -0.091 1.00 0.00 O ATOM 206 CB TYR A 38 8.793 -3.723 1.258 1.00 0.00 C ATOM 207 CG TYR A 38 9.879 -4.348 2.099 1.00 0.00 C ATOM 208 CD1 TYR A 38 9.599 -4.938 3.343 1.00 0.00 C ATOM 209 CD2 TYR A 38 11.196 -4.301 1.624 1.00 0.00 C ATOM 210 CE1 TYR A 38 10.651 -5.470 4.116 1.00 0.00 C ATOM 211 CE2 TYR A 38 12.251 -4.777 2.407 1.00 0.00 C ATOM 212 CZ TYR A 38 11.985 -5.368 3.659 1.00 0.00 C ATOM 213 OH TYR A 38 13.018 -5.827 4.415 1.00 0.00 O ATOM 0 H TYR A 38 6.244 -3.542 1.735 1.00 0.00 H new ATOM 0 HA TYR A 38 8.679 -2.159 2.709 1.00 0.00 H new ATOM 0 HB2 TYR A 38 8.067 -4.494 1.001 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.234 -3.377 0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.583 -4.984 3.705 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.398 -3.893 0.644 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.438 -5.955 5.057 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.268 -4.692 2.054 1.00 0.00 H new ATOM 0 HH TYR A 38 13.863 -5.675 3.942 1.00 0.00 H new ATOM 223 N LEU A 39 8.235 -0.309 0.954 1.00 0.00 N ATOM 224 CA LEU A 39 8.053 0.737 -0.033 1.00 0.00 C ATOM 225 C LEU A 39 9.402 1.075 -0.636 1.00 0.00 C ATOM 226 O LEU A 39 10.362 1.276 0.110 1.00 0.00 O ATOM 227 CB LEU A 39 7.450 1.957 0.645 1.00 0.00 C ATOM 228 CG LEU A 39 7.118 3.063 -0.354 1.00 0.00 C ATOM 229 CD1 LEU A 39 5.791 2.765 -1.048 1.00 0.00 C ATOM 230 CD2 LEU A 39 6.969 4.384 0.362 1.00 0.00 C ATOM 0 H LEU A 39 8.798 -0.016 1.753 1.00 0.00 H new ATOM 0 HA LEU A 39 7.381 0.407 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.544 1.665 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.148 2.339 1.390 1.00 0.00 H new ATOM 0 HG LEU A 39 7.928 3.111 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.565 3.561 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.863 1.815 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.997 2.706 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.732 5.165 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.165 4.312 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.902 4.630 0.870 1.00 0.00 H new ATOM 242 N ASN A 40 9.474 1.192 -1.968 1.00 0.00 N ATOM 243 CA ASN A 40 10.726 1.382 -2.716 1.00 0.00 C ATOM 244 C ASN A 40 11.795 0.427 -2.166 1.00 0.00 C ATOM 245 O ASN A 40 12.940 0.797 -1.894 1.00 0.00 O ATOM 246 CB ASN A 40 11.167 2.865 -2.759 1.00 0.00 C ATOM 247 CG ASN A 40 10.369 3.674 -3.767 1.00 0.00 C ATOM 248 OD1 ASN A 40 10.080 3.223 -4.870 1.00 0.00 O ATOM 249 ND2 ASN A 40 9.794 4.796 -3.351 1.00 0.00 N ATOM 0 H ASN A 40 8.650 1.157 -2.568 1.00 0.00 H new ATOM 0 HA ASN A 40 10.564 1.124 -3.763 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.050 3.305 -1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.226 2.920 -3.009 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.119 5.274 -3.947 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.027 5.180 -2.435 1.00 0.00 H new ATOM 256 N ASN A 41 11.389 -0.832 -1.993 1.00 0.00 N ATOM 257 CA ASN A 41 12.165 -1.974 -1.538 1.00 0.00 C ATOM 258 C ASN A 41 12.745 -1.829 -0.131 1.00 0.00 C ATOM 259 O ASN A 41 13.720 -2.520 0.178 1.00 0.00 O ATOM 260 CB ASN A 41 13.183 -2.381 -2.615 1.00 0.00 C ATOM 261 CG ASN A 41 12.552 -3.400 -3.546 1.00 0.00 C ATOM 262 OD1 ASN A 41 12.719 -4.605 -3.346 1.00 0.00 O ATOM 263 ND2 ASN A 41 11.804 -2.960 -4.541 1.00 0.00 N ATOM 0 H ASN A 41 10.423 -1.096 -2.186 1.00 0.00 H new ATOM 0 HA ASN A 41 11.476 -2.809 -1.411 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.502 -1.505 -3.179 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.074 -2.801 -2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.347 -3.623 -5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.683 -1.957 -4.683 1.00 0.00 H new ATOM 270 N GLY A 42 12.119 -1.043 0.749 1.00 0.00 N ATOM 271 CA GLY A 42 12.552 -0.914 2.132 1.00 0.00 C ATOM 272 C GLY A 42 11.353 -0.934 3.084 1.00 0.00 C ATOM 273 O GLY A 42 10.321 -0.343 2.777 1.00 0.00 O ATOM 0 H GLY A 42 11.300 -0.481 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.233 -1.728 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.106 0.016 2.258 1.00 0.00 H new ATOM 277 N TYR A 43 11.469 -1.647 4.205 1.00 0.00 N ATOM 278 CA TYR A 43 10.439 -1.835 5.235 1.00 0.00 C ATOM 279 C TYR A 43 9.882 -0.491 5.746 1.00 0.00 C ATOM 280 O TYR A 43 10.648 0.420 6.058 1.00 0.00 O ATOM 281 CB TYR A 43 11.110 -2.586 6.400 1.00 0.00 C ATOM 282 CG TYR A 43 10.376 -2.485 7.719 1.00 0.00 C ATOM 283 CD1 TYR A 43 9.108 -3.070 7.852 1.00 0.00 C ATOM 284 CD2 TYR A 43 10.928 -1.760 8.794 1.00 0.00 C ATOM 285 CE1 TYR A 43 8.394 -2.915 9.047 1.00 0.00 C ATOM 286 CE2 TYR A 43 10.204 -1.601 9.990 1.00 0.00 C ATOM 287 CZ TYR A 43 8.915 -2.165 10.118 1.00 0.00 C ATOM 288 OH TYR A 43 8.155 -1.982 11.235 1.00 0.00 O ATOM 0 H TYR A 43 12.333 -2.138 4.434 1.00 0.00 H new ATOM 0 HA TYR A 43 9.599 -2.389 4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.204 -3.638 6.131 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.121 -2.199 6.531 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.684 -3.637 7.037 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.912 -1.324 8.699 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.425 -3.380 9.149 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.634 -1.047 10.811 1.00 0.00 H new ATOM 0 HH TYR A 43 8.653 -1.444 11.885 1.00 0.00 H new ATOM 298 N MET A 44 8.553 -0.393 5.892 1.00 0.00 N ATOM 299 CA MET A 44 7.820 0.782 6.375 1.00 0.00 C ATOM 300 C MET A 44 6.907 0.441 7.558 1.00 0.00 C ATOM 301 O MET A 44 6.807 1.251 8.483 1.00 0.00 O ATOM 302 CB MET A 44 6.991 1.406 5.230 1.00 0.00 C ATOM 303 CG MET A 44 7.820 1.905 4.050 1.00 0.00 C ATOM 304 SD MET A 44 8.533 3.568 4.181 1.00 0.00 S ATOM 305 CE MET A 44 10.047 3.267 5.121 1.00 0.00 C ATOM 0 H MET A 44 7.932 -1.169 5.665 1.00 0.00 H new ATOM 0 HA MET A 44 8.558 1.505 6.723 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.277 0.665 4.869 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.412 2.239 5.629 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.635 1.200 3.888 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.192 1.876 3.160 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.717 4.120 5.015 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.800 3.128 6.174 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.538 2.371 4.742 1.00 0.00 H new ATOM 315 N ALA A 45 6.190 -0.689 7.543 1.00 0.00 N ATOM 316 CA ALA A 45 5.354 -1.165 8.648 1.00 0.00 C ATOM 317 C ALA A 45 5.149 -2.673 8.511 1.00 0.00 C ATOM 318 O ALA A 45 5.380 -3.229 7.443 1.00 0.00 O ATOM 319 CB ALA A 45 3.993 -0.441 8.654 1.00 0.00 C ATOM 0 H ALA A 45 6.176 -1.315 6.737 1.00 0.00 H new ATOM 0 HA ALA A 45 5.855 -0.949 9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.388 -0.810 9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.152 0.631 8.770 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.475 -0.632 7.714 1.00 0.00 H new ATOM 325 N THR A 46 4.643 -3.331 9.555 1.00 0.00 N ATOM 326 CA THR A 46 4.337 -4.756 9.590 1.00 0.00 C ATOM 327 C THR A 46 3.099 -4.871 10.454 1.00 0.00 C ATOM 328 O THR A 46 3.111 -4.464 11.622 1.00 0.00 O ATOM 329 CB THR A 46 5.476 -5.631 10.156 1.00 0.00 C ATOM 330 OG1 THR A 46 6.610 -5.578 9.328 1.00 0.00 O ATOM 331 CG2 THR A 46 5.071 -7.103 10.290 1.00 0.00 C ATOM 0 H THR A 46 4.427 -2.863 10.435 1.00 0.00 H new ATOM 0 HA THR A 46 4.193 -5.128 8.576 1.00 0.00 H new ATOM 0 HB THR A 46 5.698 -5.226 11.143 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.595 -6.334 8.704 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.907 -7.675 10.692 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.217 -7.186 10.963 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.800 -7.496 9.310 1.00 0.00 H new ATOM 339 N ARG A 47 2.016 -5.381 9.878 1.00 0.00 N ATOM 340 CA ARG A 47 0.757 -5.656 10.556 1.00 0.00 C ATOM 341 C ARG A 47 -0.100 -6.498 9.622 1.00 0.00 C ATOM 342 O ARG A 47 0.323 -6.840 8.518 1.00 0.00 O ATOM 343 CB ARG A 47 0.057 -4.369 11.064 1.00 0.00 C ATOM 344 CG ARG A 47 0.042 -3.125 10.159 1.00 0.00 C ATOM 345 CD ARG A 47 -1.248 -2.961 9.355 1.00 0.00 C ATOM 346 NE ARG A 47 -2.328 -2.286 10.112 1.00 0.00 N ATOM 347 CZ ARG A 47 -3.354 -2.801 10.809 1.00 0.00 C ATOM 348 NH1 ARG A 47 -3.557 -4.104 10.918 1.00 0.00 N ATOM 349 NH2 ARG A 47 -4.228 -2.010 11.413 1.00 0.00 N ATOM 0 H ARG A 47 1.991 -5.623 8.887 1.00 0.00 H new ATOM 0 HA ARG A 47 0.939 -6.222 11.470 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.978 -4.624 11.291 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.529 -4.086 12.005 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.190 -2.238 10.775 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.884 -3.179 9.469 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.035 -2.389 8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.597 -3.943 9.036 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.285 -1.267 10.102 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.921 -4.759 10.463 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.349 -4.453 11.457 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.126 -0.997 11.352 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.003 -2.414 11.939 1.00 0.00 H new ATOM 363 N ASP A 48 -1.280 -6.880 10.089 1.00 0.00 N ATOM 364 CA ASP A 48 -2.277 -7.608 9.311 1.00 0.00 C ATOM 365 C ASP A 48 -2.882 -6.609 8.319 1.00 0.00 C ATOM 366 O ASP A 48 -3.508 -5.630 8.728 1.00 0.00 O ATOM 367 CB ASP A 48 -3.326 -8.209 10.265 1.00 0.00 C ATOM 368 CG ASP A 48 -3.838 -9.594 9.873 1.00 0.00 C ATOM 369 OD1 ASP A 48 -4.642 -10.137 10.664 1.00 0.00 O ATOM 370 OD2 ASP A 48 -3.454 -10.141 8.811 1.00 0.00 O ATOM 0 H ASP A 48 -1.580 -6.688 11.045 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.846 -8.442 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.895 -8.267 11.264 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.175 -7.528 10.323 1.00 0.00 H new ATOM 376 N VAL A 49 -2.584 -6.727 7.034 1.00 0.00 N ATOM 377 CA VAL A 49 -3.076 -5.836 5.993 1.00 0.00 C ATOM 378 C VAL A 49 -4.333 -6.485 5.433 1.00 0.00 C ATOM 379 O VAL A 49 -4.235 -7.455 4.679 1.00 0.00 O ATOM 380 CB VAL A 49 -1.974 -5.552 4.952 1.00 0.00 C ATOM 381 CG1 VAL A 49 -2.299 -4.290 4.144 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.617 -5.292 5.620 1.00 0.00 C ATOM 0 H VAL A 49 -1.977 -7.465 6.676 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.338 -4.848 6.372 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.928 -6.435 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.508 -4.110 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.247 -4.425 3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.374 -3.436 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.134 -5.096 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.696 -4.428 6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.324 -6.167 6.200 1.00 0.00 H new ATOM 392 N THR A 50 -5.506 -5.981 5.825 1.00 0.00 N ATOM 393 CA THR A 50 -6.749 -6.303 5.146 1.00 0.00 C ATOM 394 C THR A 50 -6.607 -5.846 3.702 1.00 0.00 C ATOM 395 O THR A 50 -5.903 -4.880 3.409 1.00 0.00 O ATOM 396 CB THR A 50 -7.934 -5.625 5.853 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.969 -6.004 7.211 1.00 0.00 O ATOM 398 CG2 THR A 50 -9.295 -6.005 5.270 1.00 0.00 C ATOM 0 H THR A 50 -5.614 -5.345 6.615 1.00 0.00 H new ATOM 0 HA THR A 50 -6.947 -7.375 5.170 1.00 0.00 H new ATOM 0 HB THR A 50 -7.773 -4.556 5.717 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.726 -5.566 7.653 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.083 -5.489 5.819 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.335 -5.715 4.220 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.439 -7.082 5.355 1.00 0.00 H new ATOM 406 N PHE A 51 -7.280 -6.537 2.798 1.00 0.00 N ATOM 407 CA PHE A 51 -7.455 -6.194 1.398 1.00 0.00 C ATOM 408 C PHE A 51 -8.934 -6.270 1.041 1.00 0.00 C ATOM 409 O PHE A 51 -9.765 -6.669 1.855 1.00 0.00 O ATOM 410 CB PHE A 51 -6.594 -7.126 0.530 1.00 0.00 C ATOM 411 CG PHE A 51 -6.523 -8.536 1.050 1.00 0.00 C ATOM 412 CD1 PHE A 51 -5.655 -8.817 2.111 1.00 0.00 C ATOM 413 CD2 PHE A 51 -7.300 -9.559 0.501 1.00 0.00 C ATOM 414 CE1 PHE A 51 -5.591 -10.106 2.636 1.00 0.00 C ATOM 415 CE2 PHE A 51 -7.129 -10.874 0.965 1.00 0.00 C ATOM 416 CZ PHE A 51 -6.302 -11.155 2.054 1.00 0.00 C ATOM 0 H PHE A 51 -7.749 -7.410 3.039 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.123 -5.173 1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.997 -7.141 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.585 -6.720 0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.035 -8.035 2.523 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -8.023 -9.342 -0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.981 -10.296 3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.647 -11.682 0.470 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.215 -12.161 2.437 1.00 0.00 H new ATOM 426 N ASN A 52 -9.260 -5.850 -0.177 1.00 0.00 N ATOM 427 CA ASN A 52 -10.547 -6.021 -0.842 1.00 0.00 C ATOM 428 C ASN A 52 -10.268 -6.714 -2.165 1.00 0.00 C ATOM 429 O ASN A 52 -9.126 -6.743 -2.627 1.00 0.00 O ATOM 430 CB ASN A 52 -11.222 -4.661 -1.115 1.00 0.00 C ATOM 431 CG ASN A 52 -12.006 -4.091 0.056 1.00 0.00 C ATOM 432 OD1 ASN A 52 -13.010 -3.414 -0.139 1.00 0.00 O ATOM 433 ND2 ASN A 52 -11.550 -4.307 1.276 1.00 0.00 N ATOM 0 H ASN A 52 -8.591 -5.350 -0.762 1.00 0.00 H new ATOM 0 HA ASN A 52 -11.219 -6.601 -0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.455 -3.943 -1.405 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.895 -4.770 -1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -12.035 -3.908 2.080 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.713 -4.873 1.415 1.00 0.00 H new ATOM 440 N THR A 53 -11.308 -7.239 -2.798 1.00 0.00 N ATOM 441 CA THR A 53 -11.240 -7.819 -4.132 1.00 0.00 C ATOM 442 C THR A 53 -10.858 -6.715 -5.126 1.00 0.00 C ATOM 443 O THR A 53 -11.362 -5.593 -5.006 1.00 0.00 O ATOM 444 CB THR A 53 -12.597 -8.470 -4.481 1.00 0.00 C ATOM 445 OG1 THR A 53 -13.421 -8.713 -3.348 1.00 0.00 O ATOM 446 CG2 THR A 53 -12.375 -9.823 -5.151 1.00 0.00 C ATOM 0 H THR A 53 -12.242 -7.274 -2.390 1.00 0.00 H new ATOM 0 HA THR A 53 -10.482 -8.601 -4.179 1.00 0.00 H new ATOM 0 HB THR A 53 -13.096 -7.756 -5.136 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.263 -9.123 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.338 -10.272 -5.392 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.799 -9.686 -6.066 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.828 -10.479 -4.474 1.00 0.00 H new ATOM 454 N GLY A 54 -10.021 -6.991 -6.127 1.00 0.00 N ATOM 455 CA GLY A 54 -9.729 -6.039 -7.188 1.00 0.00 C ATOM 456 C GLY A 54 -9.033 -6.704 -8.354 1.00 0.00 C ATOM 457 O GLY A 54 -8.418 -7.754 -8.207 1.00 0.00 O ATOM 0 H GLY A 54 -9.530 -7.880 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.656 -5.579 -7.531 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.101 -5.238 -6.797 1.00 0.00 H new ATOM 461 N ASP A 55 -9.097 -6.067 -9.515 1.00 0.00 N ATOM 462 CA ASP A 55 -8.369 -6.488 -10.701 1.00 0.00 C ATOM 463 C ASP A 55 -6.889 -6.318 -10.384 1.00 0.00 C ATOM 464 O ASP A 55 -6.420 -5.179 -10.307 1.00 0.00 O ATOM 465 CB ASP A 55 -8.788 -5.629 -11.911 1.00 0.00 C ATOM 466 CG ASP A 55 -9.418 -6.425 -13.054 1.00 0.00 C ATOM 467 OD1 ASP A 55 -9.250 -6.025 -14.233 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.199 -7.365 -12.778 1.00 0.00 O ATOM 0 H ASP A 55 -9.664 -5.232 -9.660 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.585 -7.525 -10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.497 -4.871 -11.577 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.912 -5.102 -12.289 1.00 0.00 H new ATOM 474 N SER A 56 -6.178 -7.402 -10.075 1.00 0.00 N ATOM 475 CA SER A 56 -4.769 -7.403 -9.691 1.00 0.00 C ATOM 476 C SER A 56 -4.209 -8.830 -9.755 1.00 0.00 C ATOM 477 O SER A 56 -4.963 -9.778 -10.004 1.00 0.00 O ATOM 478 CB SER A 56 -4.629 -6.810 -8.278 1.00 0.00 C ATOM 479 OG SER A 56 -4.694 -5.395 -8.365 1.00 0.00 O ATOM 0 H SER A 56 -6.584 -8.338 -10.086 1.00 0.00 H new ATOM 0 HA SER A 56 -4.194 -6.789 -10.384 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.423 -7.185 -7.632 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.683 -7.117 -7.832 1.00 0.00 H new ATOM 0 HG SER A 56 -4.986 -5.136 -9.264 1.00 0.00 H new ATOM 485 N GLU A 57 -2.900 -8.983 -9.526 1.00 0.00 N ATOM 486 CA GLU A 57 -2.151 -10.215 -9.772 1.00 0.00 C ATOM 487 C GLU A 57 -2.708 -11.383 -8.979 1.00 0.00 C ATOM 488 O GLU A 57 -2.872 -12.462 -9.547 1.00 0.00 O ATOM 489 CB GLU A 57 -0.661 -10.043 -9.455 1.00 0.00 C ATOM 490 CG GLU A 57 0.005 -9.042 -10.424 1.00 0.00 C ATOM 491 CD GLU A 57 1.347 -9.509 -10.982 1.00 0.00 C ATOM 492 OE1 GLU A 57 1.484 -10.698 -11.359 1.00 0.00 O ATOM 493 OE2 GLU A 57 2.288 -8.688 -11.068 1.00 0.00 O ATOM 0 H GLU A 57 -2.319 -8.232 -9.154 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.261 -10.434 -10.834 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.543 -9.694 -8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.158 -11.008 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.674 -8.851 -11.255 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.150 -8.094 -9.906 1.00 0.00 H new ATOM 501 N GLN A 58 -3.030 -11.176 -7.701 1.00 0.00 N ATOM 502 CA GLN A 58 -3.621 -12.231 -6.870 1.00 0.00 C ATOM 503 C GLN A 58 -5.161 -12.132 -6.857 1.00 0.00 C ATOM 504 O GLN A 58 -5.842 -13.075 -6.456 1.00 0.00 O ATOM 505 CB GLN A 58 -2.993 -12.232 -5.464 1.00 0.00 C ATOM 506 CG GLN A 58 -1.552 -11.665 -5.394 1.00 0.00 C ATOM 507 CD GLN A 58 -1.580 -10.168 -5.087 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.476 -9.313 -5.969 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.799 -9.826 -3.826 1.00 0.00 N ATOM 0 H GLN A 58 -2.892 -10.289 -7.217 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.389 -13.201 -7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.630 -11.651 -4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.985 -13.254 -5.086 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.986 -12.189 -4.624 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.040 -11.839 -6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.882 -10.547 -3.109 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.884 -8.842 -3.572 1.00 0.00 H new ATOM 518 N GLY A 59 -5.724 -11.023 -7.356 1.00 0.00 N ATOM 519 CA GLY A 59 -7.160 -10.761 -7.402 1.00 0.00 C ATOM 520 C GLY A 59 -7.656 -9.834 -6.284 1.00 0.00 C ATOM 521 O GLY A 59 -8.863 -9.715 -6.064 1.00 0.00 O ATOM 0 H GLY A 59 -5.170 -10.262 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.408 -10.317 -8.366 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.695 -11.709 -7.340 1.00 0.00 H new ATOM 525 N ILE A 60 -6.745 -9.201 -5.540 1.00 0.00 N ATOM 526 CA ILE A 60 -7.028 -8.476 -4.303 1.00 0.00 C ATOM 527 C ILE A 60 -6.033 -7.322 -4.131 1.00 0.00 C ATOM 528 O ILE A 60 -4.895 -7.417 -4.607 1.00 0.00 O ATOM 529 CB ILE A 60 -6.963 -9.456 -3.104 1.00 0.00 C ATOM 530 CG1 ILE A 60 -5.831 -10.494 -3.240 1.00 0.00 C ATOM 531 CG2 ILE A 60 -8.320 -10.159 -2.896 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.619 -11.230 -1.926 1.00 0.00 C ATOM 0 H ILE A 60 -5.757 -9.180 -5.793 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.030 -8.050 -4.348 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.736 -8.855 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.077 -11.207 -4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.908 -9.997 -3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.250 -10.842 -2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.090 -9.413 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.581 -10.720 -3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.816 -11.958 -2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.351 -10.515 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.538 -11.745 -1.645 1.00 0.00 H new ATOM 544 N VAL A 61 -6.433 -6.261 -3.413 1.00 0.00 N ATOM 545 CA VAL A 61 -5.611 -5.073 -3.156 1.00 0.00 C ATOM 546 C VAL A 61 -5.723 -4.636 -1.676 1.00 0.00 C ATOM 547 O VAL A 61 -6.837 -4.591 -1.151 1.00 0.00 O ATOM 548 CB VAL A 61 -5.957 -3.928 -4.137 1.00 0.00 C ATOM 549 CG1 VAL A 61 -6.049 -4.416 -5.589 1.00 0.00 C ATOM 550 CG2 VAL A 61 -7.254 -3.174 -3.819 1.00 0.00 C ATOM 0 H VAL A 61 -7.358 -6.206 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.568 -5.333 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.124 -3.236 -4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.294 -3.577 -6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.092 -4.842 -5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.826 -5.176 -5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.411 -2.391 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.094 -3.869 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.180 -2.725 -2.828 1.00 0.00 H new ATOM 560 N PRO A 62 -4.610 -4.329 -0.983 1.00 0.00 N ATOM 561 CA PRO A 62 -4.581 -3.963 0.438 1.00 0.00 C ATOM 562 C PRO A 62 -5.333 -2.654 0.705 1.00 0.00 C ATOM 563 O PRO A 62 -5.334 -1.726 -0.106 1.00 0.00 O ATOM 564 CB PRO A 62 -3.111 -3.900 0.839 1.00 0.00 C ATOM 565 CG PRO A 62 -2.330 -3.826 -0.464 1.00 0.00 C ATOM 566 CD PRO A 62 -3.281 -4.269 -1.559 1.00 0.00 C ATOM 0 HA PRO A 62 -5.101 -4.703 1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.913 -3.029 1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.825 -4.779 1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.973 -2.812 -0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.452 -4.471 -0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.256 -3.569 -2.395 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.988 -5.243 -1.950 1.00 0.00 H new ATOM 574 N CYS A 63 -5.959 -2.610 1.878 1.00 0.00 N ATOM 575 CA CYS A 63 -6.722 -1.515 2.446 1.00 0.00 C ATOM 576 C CYS A 63 -5.725 -0.577 3.111 1.00 0.00 C ATOM 577 O CYS A 63 -5.321 -0.792 4.253 1.00 0.00 O ATOM 578 CB CYS A 63 -7.711 -2.064 3.481 1.00 0.00 C ATOM 579 SG CYS A 63 -8.947 -3.196 2.819 1.00 0.00 S ATOM 0 H CYS A 63 -5.940 -3.413 2.506 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.291 -0.987 1.681 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.150 -2.577 4.262 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -8.223 -1.226 3.954 1.00 0.00 H new ATOM 0 HG CYS A 63 -9.726 -3.598 3.779 1.00 0.00 H new ATOM 585 N LEU A 64 -5.262 0.426 2.373 1.00 0.00 N ATOM 586 CA LEU A 64 -4.264 1.367 2.858 1.00 0.00 C ATOM 587 C LEU A 64 -5.012 2.670 3.192 1.00 0.00 C ATOM 588 O LEU A 64 -6.144 2.867 2.774 1.00 0.00 O ATOM 589 CB LEU A 64 -3.142 1.470 1.812 1.00 0.00 C ATOM 590 CG LEU A 64 -2.486 0.132 1.378 1.00 0.00 C ATOM 591 CD1 LEU A 64 -2.193 0.150 -0.128 1.00 0.00 C ATOM 592 CD2 LEU A 64 -1.182 -0.104 2.149 1.00 0.00 C ATOM 0 H LEU A 64 -5.571 0.608 1.418 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.756 1.061 3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.545 1.958 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.363 2.121 2.208 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.181 -0.677 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.733 -0.794 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.124 0.286 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.513 0.971 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.737 -1.047 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.487 0.711 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.393 -0.145 3.218 1.00 0.00 H new ATOM 604 N THR A 65 -4.429 3.548 3.999 1.00 0.00 N ATOM 605 CA THR A 65 -5.115 4.526 4.849 1.00 0.00 C ATOM 606 C THR A 65 -4.322 5.830 4.818 1.00 0.00 C ATOM 607 O THR A 65 -3.095 5.768 4.770 1.00 0.00 O ATOM 608 CB THR A 65 -5.183 3.958 6.289 1.00 0.00 C ATOM 609 OG1 THR A 65 -4.178 4.450 7.149 1.00 0.00 O ATOM 610 CG2 THR A 65 -5.043 2.433 6.298 1.00 0.00 C ATOM 0 H THR A 65 -3.414 3.604 4.086 1.00 0.00 H new ATOM 0 HA THR A 65 -6.128 4.719 4.495 1.00 0.00 H new ATOM 0 HB THR A 65 -6.159 4.281 6.651 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.576 4.695 8.011 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.095 2.069 7.324 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.850 1.990 5.714 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.084 2.153 5.862 1.00 0.00 H new ATOM 618 N ARG A 66 -4.943 7.010 4.922 1.00 0.00 N ATOM 619 CA ARG A 66 -4.223 8.284 4.846 1.00 0.00 C ATOM 620 C ARG A 66 -2.996 8.304 5.744 1.00 0.00 C ATOM 621 O ARG A 66 -1.978 8.887 5.381 1.00 0.00 O ATOM 622 CB ARG A 66 -5.153 9.439 5.263 1.00 0.00 C ATOM 623 CG ARG A 66 -4.558 10.812 4.889 1.00 0.00 C ATOM 624 CD ARG A 66 -5.385 11.490 3.795 1.00 0.00 C ATOM 625 NE ARG A 66 -6.581 12.137 4.346 1.00 0.00 N ATOM 626 CZ ARG A 66 -6.676 13.281 5.027 1.00 0.00 C ATOM 627 NH1 ARG A 66 -5.655 14.121 5.151 1.00 0.00 N ATOM 628 NH2 ARG A 66 -7.840 13.562 5.589 1.00 0.00 N ATOM 0 H ARG A 66 -5.949 7.108 5.060 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.897 8.404 3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.123 9.318 4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.325 9.398 6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.524 11.450 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.531 10.686 4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.773 12.232 3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.681 10.751 3.051 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.460 11.645 4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.758 13.901 4.717 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.767 14.986 5.680 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.622 12.915 5.493 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.955 14.426 6.118 1.00 0.00 H new ATOM 642 N ALA A 67 -3.120 7.659 6.895 1.00 0.00 N ATOM 643 CA ALA A 67 -2.049 7.585 7.864 1.00 0.00 C ATOM 644 C ALA A 67 -0.995 6.572 7.465 1.00 0.00 C ATOM 645 O ALA A 67 0.173 6.918 7.550 1.00 0.00 O ATOM 646 CB ALA A 67 -2.569 7.239 9.244 1.00 0.00 C ATOM 0 H ALA A 67 -3.970 7.173 7.179 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.594 8.575 7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.736 7.192 9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.275 8.003 9.569 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.071 6.272 9.212 1.00 0.00 H new ATOM 652 N GLN A 68 -1.362 5.356 7.045 1.00 0.00 N ATOM 653 CA GLN A 68 -0.400 4.326 6.648 1.00 0.00 C ATOM 654 C GLN A 68 0.441 4.886 5.503 1.00 0.00 C ATOM 655 O GLN A 68 1.665 4.894 5.523 1.00 0.00 O ATOM 656 CB GLN A 68 -1.162 3.049 6.230 1.00 0.00 C ATOM 657 CG GLN A 68 -1.654 2.236 7.448 1.00 0.00 C ATOM 658 CD GLN A 68 -0.947 0.887 7.581 1.00 0.00 C ATOM 659 OE1 GLN A 68 0.024 0.729 8.316 1.00 0.00 O ATOM 660 NE2 GLN A 68 -1.412 -0.114 6.845 1.00 0.00 N ATOM 0 H GLN A 68 -2.335 5.060 6.971 1.00 0.00 H new ATOM 0 HA GLN A 68 0.260 4.058 7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.016 3.324 5.611 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.512 2.424 5.617 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.494 2.817 8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.728 2.072 7.360 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.219 0.031 6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.962 -1.029 6.885 1.00 0.00 H new ATOM 669 N LEU A 69 -0.240 5.476 4.533 1.00 0.00 N ATOM 670 CA LEU A 69 0.341 6.182 3.414 1.00 0.00 C ATOM 671 C LEU A 69 1.280 7.293 3.860 1.00 0.00 C ATOM 672 O LEU A 69 2.471 7.256 3.564 1.00 0.00 O ATOM 673 CB LEU A 69 -0.795 6.734 2.565 1.00 0.00 C ATOM 674 CG LEU A 69 -1.387 5.615 1.706 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.434 4.722 2.255 1.00 0.00 C ATOM 676 CD2 LEU A 69 -2.054 6.282 0.507 1.00 0.00 C ATOM 0 H LEU A 69 -1.260 5.472 4.508 1.00 0.00 H new ATOM 0 HA LEU A 69 0.949 5.490 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.567 7.161 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.428 7.539 1.928 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.524 4.970 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.726 3.995 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.045 4.199 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.303 5.314 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.492 5.519 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.836 6.957 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.311 6.848 -0.055 1.00 0.00 H new ATOM 688 N ALA A 70 0.778 8.287 4.582 1.00 0.00 N ATOM 689 CA ALA A 70 1.622 9.364 5.071 1.00 0.00 C ATOM 690 C ALA A 70 2.593 8.879 6.171 1.00 0.00 C ATOM 691 O ALA A 70 3.294 9.705 6.756 1.00 0.00 O ATOM 692 CB ALA A 70 0.732 10.486 5.593 1.00 0.00 C ATOM 0 H ALA A 70 -0.206 8.368 4.840 1.00 0.00 H new ATOM 0 HA ALA A 70 2.237 9.730 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.354 11.301 5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.097 10.852 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.108 10.109 6.403 1.00 0.00 H new ATOM 698 N SER A 71 2.638 7.580 6.496 1.00 0.00 N ATOM 699 CA SER A 71 3.664 7.006 7.358 1.00 0.00 C ATOM 700 C SER A 71 4.801 6.530 6.466 1.00 0.00 C ATOM 701 O SER A 71 5.940 6.957 6.668 1.00 0.00 O ATOM 702 CB SER A 71 3.154 5.845 8.208 1.00 0.00 C ATOM 703 OG SER A 71 2.134 6.275 9.079 1.00 0.00 O ATOM 0 H SER A 71 1.956 6.899 6.163 1.00 0.00 H new ATOM 0 HA SER A 71 3.992 7.773 8.059 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.777 5.053 7.561 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.976 5.421 8.784 1.00 0.00 H new ATOM 0 HG SER A 71 1.483 6.812 8.581 1.00 0.00 H new ATOM 709 N MET A 72 4.496 5.726 5.436 1.00 0.00 N ATOM 710 CA MET A 72 5.481 5.347 4.421 1.00 0.00 C ATOM 711 C MET A 72 5.942 6.571 3.591 1.00 0.00 C ATOM 712 O MET A 72 6.808 6.446 2.728 1.00 0.00 O ATOM 713 CB MET A 72 4.942 4.202 3.533 1.00 0.00 C ATOM 714 CG MET A 72 3.711 4.662 2.765 1.00 0.00 C ATOM 715 SD MET A 72 3.073 3.659 1.399 1.00 0.00 S ATOM 716 CE MET A 72 1.894 2.644 2.309 1.00 0.00 C ATOM 0 H MET A 72 3.570 5.326 5.287 1.00 0.00 H new ATOM 0 HA MET A 72 6.367 4.970 4.932 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.715 3.880 2.835 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.692 3.340 4.152 1.00 0.00 H new ATOM 0 HG2 MET A 72 2.903 4.779 3.487 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.928 5.653 2.366 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.706 1.722 1.758 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.302 2.404 3.291 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.959 3.192 2.429 1.00 0.00 H new ATOM 726 N GLY A 73 5.372 7.762 3.818 1.00 0.00 N ATOM 727 CA GLY A 73 5.903 9.034 3.338 1.00 0.00 C ATOM 728 C GLY A 73 5.135 9.626 2.165 1.00 0.00 C ATOM 729 O GLY A 73 5.542 10.683 1.665 1.00 0.00 O ATOM 0 H GLY A 73 4.510 7.864 4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.899 9.750 4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.943 8.893 3.043 1.00 0.00 H new ATOM 733 N LEU A 74 4.051 8.983 1.734 1.00 0.00 N ATOM 734 CA LEU A 74 3.259 9.362 0.576 1.00 0.00 C ATOM 735 C LEU A 74 2.772 10.787 0.782 1.00 0.00 C ATOM 736 O LEU A 74 2.266 11.160 1.844 1.00 0.00 O ATOM 737 CB LEU A 74 2.100 8.366 0.413 1.00 0.00 C ATOM 738 CG LEU A 74 0.996 8.674 -0.616 1.00 0.00 C ATOM 739 CD1 LEU A 74 -0.087 9.625 -0.084 1.00 0.00 C ATOM 740 CD2 LEU A 74 1.459 9.074 -2.014 1.00 0.00 C ATOM 0 H LEU A 74 3.690 8.152 2.203 1.00 0.00 H new ATOM 0 HA LEU A 74 3.847 9.330 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.530 7.398 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.622 8.254 1.386 1.00 0.00 H new ATOM 0 HG LEU A 74 0.542 7.693 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.832 9.798 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.567 9.179 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.369 10.574 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.590 9.264 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.067 9.977 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.051 8.267 -2.446 1.00 0.00 H new ATOM 752 N ASN A 75 2.932 11.579 -0.264 1.00 0.00 N ATOM 753 CA ASN A 75 2.451 12.947 -0.300 1.00 0.00 C ATOM 754 C ASN A 75 0.960 12.938 -0.613 1.00 0.00 C ATOM 755 O ASN A 75 0.579 12.894 -1.781 1.00 0.00 O ATOM 756 CB ASN A 75 3.213 13.787 -1.329 1.00 0.00 C ATOM 757 CG ASN A 75 2.896 15.259 -1.110 1.00 0.00 C ATOM 758 OD1 ASN A 75 1.817 15.631 -0.648 1.00 0.00 O ATOM 759 ND2 ASN A 75 3.856 16.125 -1.372 1.00 0.00 N ATOM 0 H ASN A 75 3.404 11.287 -1.120 1.00 0.00 H new ATOM 0 HA ASN A 75 2.622 13.405 0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.285 13.616 -1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.932 13.489 -2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.710 17.118 -1.192 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.744 15.801 -1.755 1.00 0.00 H new ATOM 766 N THR A 76 0.106 12.956 0.411 1.00 0.00 N ATOM 767 CA THR A 76 -1.338 13.012 0.255 1.00 0.00 C ATOM 768 C THR A 76 -1.763 14.141 -0.692 1.00 0.00 C ATOM 769 O THR A 76 -2.548 13.898 -1.605 1.00 0.00 O ATOM 770 CB THR A 76 -1.983 13.107 1.647 1.00 0.00 C ATOM 771 OG1 THR A 76 -1.433 14.175 2.399 1.00 0.00 O ATOM 772 CG2 THR A 76 -1.760 11.828 2.456 1.00 0.00 C ATOM 0 H THR A 76 0.408 12.932 1.385 1.00 0.00 H new ATOM 0 HA THR A 76 -1.695 12.099 -0.221 1.00 0.00 H new ATOM 0 HB THR A 76 -3.047 13.268 1.475 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.864 14.212 3.279 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.229 11.930 3.435 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.201 10.982 1.928 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.691 11.659 2.582 1.00 0.00 H new ATOM 780 N ALA A 77 -1.227 15.353 -0.529 1.00 0.00 N ATOM 781 CA ALA A 77 -1.668 16.506 -1.302 1.00 0.00 C ATOM 782 C ALA A 77 -1.175 16.481 -2.747 1.00 0.00 C ATOM 783 O ALA A 77 -1.597 17.328 -3.527 1.00 0.00 O ATOM 784 CB ALA A 77 -1.197 17.790 -0.634 1.00 0.00 C ATOM 0 H ALA A 77 -0.482 15.557 0.137 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.757 16.465 -1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.531 18.648 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.614 17.851 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.109 17.792 -0.576 1.00 0.00 H new ATOM 790 N SER A 78 -0.299 15.550 -3.124 1.00 0.00 N ATOM 791 CA SER A 78 0.048 15.341 -4.519 1.00 0.00 C ATOM 792 C SER A 78 -0.995 14.481 -5.253 1.00 0.00 C ATOM 793 O SER A 78 -0.876 14.324 -6.468 1.00 0.00 O ATOM 794 CB SER A 78 1.453 14.742 -4.583 1.00 0.00 C ATOM 795 OG SER A 78 2.390 15.670 -4.074 1.00 0.00 O ATOM 0 H SER A 78 0.183 14.928 -2.475 1.00 0.00 H new ATOM 0 HA SER A 78 0.045 16.297 -5.042 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.492 13.818 -4.006 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.703 14.486 -5.612 1.00 0.00 H new ATOM 0 HG SER A 78 3.289 15.283 -4.115 1.00 0.00 H new ATOM 801 N VAL A 79 -1.997 13.923 -4.558 1.00 0.00 N ATOM 802 CA VAL A 79 -2.985 13.011 -5.122 1.00 0.00 C ATOM 803 C VAL A 79 -4.337 13.707 -4.987 1.00 0.00 C ATOM 804 O VAL A 79 -4.824 13.870 -3.866 1.00 0.00 O ATOM 805 CB VAL A 79 -2.920 11.643 -4.404 1.00 0.00 C ATOM 806 CG1 VAL A 79 -3.534 10.533 -5.266 1.00 0.00 C ATOM 807 CG2 VAL A 79 -1.497 11.262 -3.976 1.00 0.00 C ATOM 0 H VAL A 79 -2.140 14.102 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.799 12.791 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.511 11.749 -3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.473 9.584 -4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.578 10.768 -5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.987 10.458 -6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.514 10.293 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.855 11.207 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.109 12.016 -3.291 1.00 0.00 H new ATOM 817 N ALA A 80 -4.912 14.171 -6.100 1.00 0.00 N ATOM 818 CA ALA A 80 -5.979 15.173 -6.176 1.00 0.00 C ATOM 819 C ALA A 80 -7.300 14.837 -5.467 1.00 0.00 C ATOM 820 O ALA A 80 -8.184 15.694 -5.394 1.00 0.00 O ATOM 821 CB ALA A 80 -6.245 15.474 -7.649 1.00 0.00 C ATOM 0 H ALA A 80 -4.630 13.840 -7.023 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.605 16.035 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.037 16.219 -7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.336 15.859 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.552 14.560 -8.157 1.00 0.00 H new ATOM 827 N GLY A 81 -7.472 13.634 -4.939 1.00 0.00 N ATOM 828 CA GLY A 81 -8.584 13.211 -4.108 1.00 0.00 C ATOM 829 C GLY A 81 -8.042 12.349 -2.986 1.00 0.00 C ATOM 830 O GLY A 81 -8.464 11.211 -2.845 1.00 0.00 O ATOM 0 H GLY A 81 -6.797 12.884 -5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.105 14.078 -3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.308 12.652 -4.700 1.00 0.00 H new ATOM 834 N MET A 82 -7.102 12.859 -2.184 1.00 0.00 N ATOM 835 CA MET A 82 -6.599 12.146 -1.013 1.00 0.00 C ATOM 836 C MET A 82 -6.810 12.924 0.283 1.00 0.00 C ATOM 837 O MET A 82 -7.088 12.314 1.311 1.00 0.00 O ATOM 838 CB MET A 82 -5.156 11.738 -1.252 1.00 0.00 C ATOM 839 CG MET A 82 -4.558 10.926 -0.102 1.00 0.00 C ATOM 840 SD MET A 82 -4.318 9.163 -0.383 1.00 0.00 S ATOM 841 CE MET A 82 -3.127 9.180 -1.724 1.00 0.00 C ATOM 0 H MET A 82 -6.673 13.773 -2.330 1.00 0.00 H new ATOM 0 HA MET A 82 -7.183 11.236 -0.876 1.00 0.00 H new ATOM 0 HB2 MET A 82 -5.099 11.152 -2.169 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.554 12.633 -1.407 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.593 11.362 0.155 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.203 11.045 0.768 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.349 8.441 -1.529 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.630 8.939 -2.660 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.677 10.170 -1.798 1.00 0.00 H new ATOM 851 N ASN A 83 -6.768 14.258 0.265 1.00 0.00 N ATOM 852 CA ASN A 83 -6.997 15.106 1.443 1.00 0.00 C ATOM 853 C ASN A 83 -8.383 14.933 2.091 1.00 0.00 C ATOM 854 O ASN A 83 -8.634 15.492 3.157 1.00 0.00 O ATOM 855 CB ASN A 83 -6.719 16.583 1.115 1.00 0.00 C ATOM 856 CG ASN A 83 -7.661 17.220 0.096 1.00 0.00 C ATOM 857 OD1 ASN A 83 -8.724 17.742 0.428 1.00 0.00 O ATOM 858 ND2 ASN A 83 -7.274 17.198 -1.163 1.00 0.00 N ATOM 0 H ASN A 83 -6.571 14.791 -0.582 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.285 14.764 2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.770 17.158 2.040 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.698 16.668 0.743 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.860 17.619 -1.884 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.389 16.760 -1.417 1.00 0.00 H new ATOM 865 N LEU A 84 -9.246 14.121 1.482 1.00 0.00 N ATOM 866 CA LEU A 84 -10.621 13.797 1.830 1.00 0.00 C ATOM 867 C LEU A 84 -10.775 12.329 2.295 1.00 0.00 C ATOM 868 O LEU A 84 -11.894 11.881 2.551 1.00 0.00 O ATOM 869 CB LEU A 84 -11.577 14.131 0.662 1.00 0.00 C ATOM 870 CG LEU A 84 -11.073 13.898 -0.766 1.00 0.00 C ATOM 871 CD1 LEU A 84 -10.096 15.000 -1.187 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.516 12.484 -0.928 1.00 0.00 C ATOM 0 H LEU A 84 -8.963 13.621 0.639 1.00 0.00 H new ATOM 0 HA LEU A 84 -10.899 14.421 2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.486 13.544 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.859 15.180 0.750 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.915 13.965 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.752 14.812 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.598 15.967 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.241 15.006 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.165 12.346 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.686 12.339 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.299 11.757 -0.712 1.00 0.00 H new ATOM 884 N LEU A 85 -9.696 11.536 2.358 1.00 0.00 N ATOM 885 CA LEU A 85 -9.719 10.152 2.861 1.00 0.00 C ATOM 886 C LEU A 85 -9.425 10.117 4.363 1.00 0.00 C ATOM 887 O LEU A 85 -9.271 11.177 4.976 1.00 0.00 O ATOM 888 CB LEU A 85 -8.705 9.320 2.067 1.00 0.00 C ATOM 889 CG LEU A 85 -9.249 8.970 0.672 1.00 0.00 C ATOM 890 CD1 LEU A 85 -8.110 8.727 -0.319 1.00 0.00 C ATOM 891 CD2 LEU A 85 -10.163 7.736 0.741 1.00 0.00 C ATOM 0 H LEU A 85 -8.770 11.840 2.058 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.712 9.724 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.772 9.875 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.475 8.404 2.612 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.833 9.820 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.525 8.482 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.499 9.626 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.493 7.900 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.538 7.505 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.598 6.886 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.002 7.942 1.405 1.00 0.00 H new ATOM 903 N ALA A 86 -9.353 8.923 4.959 1.00 0.00 N ATOM 904 CA ALA A 86 -9.279 8.711 6.402 1.00 0.00 C ATOM 905 C ALA A 86 -8.116 7.803 6.806 1.00 0.00 C ATOM 906 O ALA A 86 -7.531 7.106 5.974 1.00 0.00 O ATOM 907 CB ALA A 86 -10.582 8.070 6.878 1.00 0.00 C ATOM 0 H ALA A 86 -9.345 8.051 4.430 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.118 9.685 6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.536 7.908 7.955 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -11.418 8.730 6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.723 7.114 6.373 1.00 0.00 H new ATOM 913 N ASP A 87 -7.863 7.768 8.112 1.00 0.00 N ATOM 914 CA ASP A 87 -6.773 7.084 8.816 1.00 0.00 C ATOM 915 C ASP A 87 -6.973 5.571 8.887 1.00 0.00 C ATOM 916 O ASP A 87 -6.012 4.833 9.095 1.00 0.00 O ATOM 917 CB ASP A 87 -6.751 7.686 10.224 1.00 0.00 C ATOM 918 CG ASP A 87 -5.426 7.667 10.969 1.00 0.00 C ATOM 919 OD1 ASP A 87 -4.953 6.593 11.405 1.00 0.00 O ATOM 920 OD2 ASP A 87 -4.900 8.792 11.160 1.00 0.00 O ATOM 0 H ASP A 87 -8.469 8.262 8.767 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.832 7.227 8.284 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.084 8.722 10.153 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.486 7.156 10.829 1.00 0.00 H new ATOM 926 N ASP A 88 -8.182 5.098 8.578 1.00 0.00 N ATOM 927 CA ASP A 88 -8.539 3.691 8.417 1.00 0.00 C ATOM 928 C ASP A 88 -9.441 3.566 7.170 1.00 0.00 C ATOM 929 O ASP A 88 -10.412 2.798 7.128 1.00 0.00 O ATOM 930 CB ASP A 88 -9.269 3.210 9.693 1.00 0.00 C ATOM 931 CG ASP A 88 -8.329 2.820 10.834 1.00 0.00 C ATOM 932 OD1 ASP A 88 -8.135 3.640 11.761 1.00 0.00 O ATOM 933 OD2 ASP A 88 -7.763 1.698 10.796 1.00 0.00 O ATOM 0 H ASP A 88 -8.977 5.719 8.426 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.655 3.069 8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.935 4.000 10.038 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.894 2.353 9.441 1.00 0.00 H new ATOM 939 N ALA A 89 -9.124 4.330 6.117 1.00 0.00 N ATOM 940 CA ALA A 89 -9.748 4.195 4.802 1.00 0.00 C ATOM 941 C ALA A 89 -9.280 2.908 4.096 1.00 0.00 C ATOM 942 O ALA A 89 -8.456 2.162 4.633 1.00 0.00 O ATOM 943 CB ALA A 89 -9.450 5.444 3.965 1.00 0.00 C ATOM 0 H ALA A 89 -8.419 5.066 6.158 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.828 4.111 4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.915 5.344 2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.851 6.324 4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.372 5.554 3.846 1.00 0.00 H new ATOM 949 N CYS A 90 -9.776 2.677 2.876 1.00 0.00 N ATOM 950 CA CYS A 90 -9.247 1.692 1.941 1.00 0.00 C ATOM 951 C CYS A 90 -8.870 2.432 0.654 1.00 0.00 C ATOM 952 O CYS A 90 -9.426 2.189 -0.419 1.00 0.00 O ATOM 953 CB CYS A 90 -10.270 0.574 1.703 1.00 0.00 C ATOM 954 SG CYS A 90 -10.848 -0.270 3.194 1.00 0.00 S ATOM 0 H CYS A 90 -10.579 3.187 2.506 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.359 1.204 2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.132 0.996 1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.828 -0.165 1.035 1.00 0.00 H new ATOM 0 HG CYS A 90 -10.268 -1.430 3.288 1.00 0.00 H new ATOM 960 N VAL A 91 -7.937 3.372 0.797 1.00 0.00 N ATOM 961 CA VAL A 91 -7.318 4.183 -0.237 1.00 0.00 C ATOM 962 C VAL A 91 -6.965 3.265 -1.411 1.00 0.00 C ATOM 963 O VAL A 91 -6.174 2.335 -1.228 1.00 0.00 O ATOM 964 CB VAL A 91 -6.076 4.904 0.321 1.00 0.00 C ATOM 965 CG1 VAL A 91 -5.456 5.796 -0.759 1.00 0.00 C ATOM 966 CG2 VAL A 91 -6.417 5.760 1.544 1.00 0.00 C ATOM 0 H VAL A 91 -7.567 3.601 1.720 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.003 4.957 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.365 4.137 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.579 6.301 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.161 5.184 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.186 6.539 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.514 6.252 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.154 6.514 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.826 5.125 2.330 1.00 0.00 H new ATOM 976 N PRO A 92 -7.526 3.498 -2.608 1.00 0.00 N ATOM 977 CA PRO A 92 -7.133 2.802 -3.809 1.00 0.00 C ATOM 978 C PRO A 92 -5.816 3.408 -4.263 1.00 0.00 C ATOM 979 O PRO A 92 -5.770 4.262 -5.154 1.00 0.00 O ATOM 980 CB PRO A 92 -8.274 3.037 -4.786 1.00 0.00 C ATOM 981 CG PRO A 92 -8.811 4.414 -4.410 1.00 0.00 C ATOM 982 CD PRO A 92 -8.393 4.609 -2.957 1.00 0.00 C ATOM 0 HA PRO A 92 -6.972 1.730 -3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.925 3.014 -5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.043 2.270 -4.692 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.392 5.191 -5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.894 4.460 -4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.872 5.558 -2.830 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.266 4.635 -2.305 1.00 0.00 H new ATOM 990 N LEU A 93 -4.740 3.038 -3.574 1.00 0.00 N ATOM 991 CA LEU A 93 -3.439 3.615 -3.822 1.00 0.00 C ATOM 992 C LEU A 93 -3.054 3.327 -5.259 1.00 0.00 C ATOM 993 O LEU A 93 -2.740 4.256 -5.987 1.00 0.00 O ATOM 994 CB LEU A 93 -2.426 3.136 -2.786 1.00 0.00 C ATOM 995 CG LEU A 93 -1.209 4.074 -2.662 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.509 3.827 -1.329 1.00 0.00 C ATOM 997 CD2 LEU A 93 -0.150 3.915 -3.753 1.00 0.00 C ATOM 0 H LEU A 93 -4.753 2.335 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.460 4.698 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.916 3.054 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.083 2.137 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.625 5.078 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.352 4.490 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.203 4.023 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.175 2.791 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.663 4.619 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.240 2.897 -3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.598 4.115 -4.726 1.00 0.00 H new ATOM 1009 N THR A 94 -3.179 2.076 -5.682 1.00 0.00 N ATOM 1010 CA THR A 94 -2.801 1.616 -7.006 1.00 0.00 C ATOM 1011 C THR A 94 -3.718 2.138 -8.121 1.00 0.00 C ATOM 1012 O THR A 94 -3.307 2.126 -9.279 1.00 0.00 O ATOM 1013 CB THR A 94 -2.735 0.079 -6.974 1.00 0.00 C ATOM 1014 OG1 THR A 94 -3.845 -0.493 -6.294 1.00 0.00 O ATOM 1015 CG2 THR A 94 -1.491 -0.381 -6.217 1.00 0.00 C ATOM 0 H THR A 94 -3.558 1.334 -5.094 1.00 0.00 H new ATOM 0 HA THR A 94 -1.822 2.027 -7.254 1.00 0.00 H new ATOM 0 HB THR A 94 -2.725 -0.244 -8.015 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.620 -0.619 -5.349 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.456 -1.470 -6.202 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.600 0.003 -6.714 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.527 -0.005 -5.195 1.00 0.00 H new ATOM 1023 N THR A 95 -4.935 2.608 -7.824 1.00 0.00 N ATOM 1024 CA THR A 95 -5.716 3.353 -8.804 1.00 0.00 C ATOM 1025 C THR A 95 -5.184 4.789 -8.851 1.00 0.00 C ATOM 1026 O THR A 95 -4.743 5.253 -9.902 1.00 0.00 O ATOM 1027 CB THR A 95 -7.221 3.334 -8.477 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.665 2.061 -8.046 1.00 0.00 O ATOM 1029 CG2 THR A 95 -8.078 3.749 -9.674 1.00 0.00 C ATOM 0 H THR A 95 -5.392 2.485 -6.921 1.00 0.00 H new ATOM 0 HA THR A 95 -5.608 2.880 -9.780 1.00 0.00 H new ATOM 0 HB THR A 95 -7.342 4.055 -7.669 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.624 2.099 -7.849 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.131 3.720 -9.395 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.811 4.761 -9.979 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.903 3.062 -10.502 1.00 0.00 H new ATOM 1037 N MET A 96 -5.267 5.509 -7.726 1.00 0.00 N ATOM 1038 CA MET A 96 -5.087 6.951 -7.707 1.00 0.00 C ATOM 1039 C MET A 96 -3.642 7.351 -8.001 1.00 0.00 C ATOM 1040 O MET A 96 -3.419 8.300 -8.755 1.00 0.00 O ATOM 1041 CB MET A 96 -5.527 7.539 -6.360 1.00 0.00 C ATOM 1042 CG MET A 96 -7.024 7.811 -6.272 1.00 0.00 C ATOM 1043 SD MET A 96 -7.511 9.126 -5.116 1.00 0.00 S ATOM 1044 CE MET A 96 -6.553 8.746 -3.616 1.00 0.00 C ATOM 0 H MET A 96 -5.460 5.103 -6.811 1.00 0.00 H new ATOM 0 HA MET A 96 -5.716 7.359 -8.498 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.244 6.851 -5.563 1.00 0.00 H new ATOM 0 HB3 MET A 96 -4.986 8.469 -6.185 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.388 8.071 -7.266 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.527 6.889 -5.980 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.705 9.534 -2.878 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.885 7.793 -3.204 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.494 8.683 -3.867 1.00 0.00 H new ATOM 1054 N VAL A 97 -2.670 6.674 -7.386 1.00 0.00 N ATOM 1055 CA VAL A 97 -1.263 6.821 -7.700 1.00 0.00 C ATOM 1056 C VAL A 97 -0.998 5.868 -8.862 1.00 0.00 C ATOM 1057 O VAL A 97 -0.941 4.650 -8.680 1.00 0.00 O ATOM 1058 CB VAL A 97 -0.395 6.512 -6.465 1.00 0.00 C ATOM 1059 CG1 VAL A 97 1.076 6.832 -6.730 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -0.894 7.272 -5.221 1.00 0.00 C ATOM 0 H VAL A 97 -2.851 5.998 -6.644 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.005 7.842 -7.983 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.484 5.444 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.664 6.604 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.434 6.231 -7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.180 7.890 -6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.259 7.031 -4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.855 8.345 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.921 6.979 -5.003 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.865 6.413 -10.069 1.00 0.00 N ATOM 1071 CA GLN A 98 -0.357 5.631 -11.181 1.00 0.00 C ATOM 1072 C GLN A 98 1.103 5.254 -10.877 1.00 0.00 C ATOM 1073 O GLN A 98 1.750 5.874 -10.039 1.00 0.00 O ATOM 1074 CB GLN A 98 -0.498 6.431 -12.486 1.00 0.00 C ATOM 1075 CG GLN A 98 -0.793 5.505 -13.675 1.00 0.00 C ATOM 1076 CD GLN A 98 -0.645 6.211 -15.021 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -1.012 7.371 -15.196 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -0.071 5.529 -15.996 1.00 0.00 N ATOM 0 H GLN A 98 -1.100 7.380 -10.295 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.929 4.712 -11.311 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.300 7.162 -12.383 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.419 6.989 -12.675 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.117 4.650 -13.641 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.806 5.114 -13.584 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.229 4.567 -15.838 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.072 5.964 -16.907 1.00 0.00 H new ATOM 1087 N ASP A 99 1.634 4.237 -11.554 1.00 0.00 N ATOM 1088 CA ASP A 99 3.006 3.723 -11.410 1.00 0.00 C ATOM 1089 C ASP A 99 3.290 3.027 -10.076 1.00 0.00 C ATOM 1090 O ASP A 99 4.323 2.373 -9.924 1.00 0.00 O ATOM 1091 CB ASP A 99 4.069 4.799 -11.709 1.00 0.00 C ATOM 1092 CG ASP A 99 5.342 4.270 -12.372 1.00 0.00 C ATOM 1093 OD1 ASP A 99 6.273 5.093 -12.549 1.00 0.00 O ATOM 1094 OD2 ASP A 99 5.384 3.120 -12.875 1.00 0.00 O ATOM 0 H ASP A 99 1.099 3.721 -12.252 1.00 0.00 H new ATOM 0 HA ASP A 99 3.081 2.946 -12.170 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.627 5.558 -12.355 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.339 5.293 -10.776 1.00 0.00 H new ATOM 1100 N ALA A 100 2.361 3.106 -9.124 1.00 0.00 N ATOM 1101 CA ALA A 100 2.378 2.367 -7.875 1.00 0.00 C ATOM 1102 C ALA A 100 1.794 0.968 -8.069 1.00 0.00 C ATOM 1103 O ALA A 100 0.917 0.775 -8.913 1.00 0.00 O ATOM 1104 CB ALA A 100 1.557 3.177 -6.870 1.00 0.00 C ATOM 0 H ALA A 100 1.546 3.713 -9.211 1.00 0.00 H new ATOM 0 HA ALA A 100 3.397 2.232 -7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.541 2.659 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.007 4.162 -6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.537 3.289 -7.239 1.00 0.00 H new ATOM 1110 N THR A 101 2.259 0.004 -7.270 1.00 0.00 N ATOM 1111 CA THR A 101 1.768 -1.379 -7.240 1.00 0.00 C ATOM 1112 C THR A 101 1.795 -1.910 -5.794 1.00 0.00 C ATOM 1113 O THR A 101 2.611 -1.428 -4.999 1.00 0.00 O ATOM 1114 CB THR A 101 2.624 -2.256 -8.179 1.00 0.00 C ATOM 1115 OG1 THR A 101 4.014 -2.109 -7.924 1.00 0.00 O ATOM 1116 CG2 THR A 101 2.390 -1.970 -9.668 1.00 0.00 C ATOM 0 H THR A 101 3.013 0.169 -6.603 1.00 0.00 H new ATOM 0 HA THR A 101 0.737 -1.413 -7.592 1.00 0.00 H new ATOM 0 HB THR A 101 2.302 -3.274 -7.962 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.521 -2.681 -8.537 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.024 -2.622 -10.268 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.344 -2.154 -9.914 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.635 -0.930 -9.882 1.00 0.00 H new ATOM 1124 N ALA A 102 0.921 -2.855 -5.415 1.00 0.00 N ATOM 1125 CA ALA A 102 0.913 -3.526 -4.121 1.00 0.00 C ATOM 1126 C ALA A 102 0.769 -5.043 -4.271 1.00 0.00 C ATOM 1127 O ALA A 102 -0.362 -5.543 -4.336 1.00 0.00 O ATOM 1128 CB ALA A 102 -0.230 -2.964 -3.272 1.00 0.00 C ATOM 0 H ALA A 102 0.175 -3.180 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 102 1.867 -3.339 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.242 -3.462 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.084 -1.893 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.179 -3.136 -3.780 1.00 0.00 H new ATOM 1134 N HIS A 103 1.885 -5.773 -4.299 1.00 0.00 N ATOM 1135 CA HIS A 103 1.901 -7.220 -4.500 1.00 0.00 C ATOM 1136 C HIS A 103 2.265 -7.914 -3.191 1.00 0.00 C ATOM 1137 O HIS A 103 3.310 -7.638 -2.601 1.00 0.00 O ATOM 1138 CB HIS A 103 2.825 -7.580 -5.687 1.00 0.00 C ATOM 1139 CG HIS A 103 3.866 -8.668 -5.513 1.00 0.00 C ATOM 1140 ND1 HIS A 103 5.164 -8.561 -5.953 1.00 0.00 N ATOM 1141 CD2 HIS A 103 3.734 -9.916 -4.958 1.00 0.00 C ATOM 1142 CE1 HIS A 103 5.822 -9.672 -5.598 1.00 0.00 C ATOM 1143 NE2 HIS A 103 4.991 -10.528 -4.987 1.00 0.00 N ATOM 0 H HIS A 103 2.814 -5.369 -4.181 1.00 0.00 H new ATOM 0 HA HIS A 103 0.911 -7.583 -4.774 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.187 -7.867 -6.523 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.348 -6.670 -5.983 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.824 -10.348 -4.569 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.871 -9.852 -5.778 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.229 -11.447 -4.615 1.00 0.00 H new ATOM 1152 N LEU A 104 1.405 -8.824 -2.729 1.00 0.00 N ATOM 1153 CA LEU A 104 1.640 -9.615 -1.525 1.00 0.00 C ATOM 1154 C LEU A 104 2.586 -10.759 -1.895 1.00 0.00 C ATOM 1155 O LEU A 104 2.191 -11.717 -2.557 1.00 0.00 O ATOM 1156 CB LEU A 104 0.296 -10.132 -0.981 1.00 0.00 C ATOM 1157 CG LEU A 104 0.406 -11.321 -0.013 1.00 0.00 C ATOM 1158 CD1 LEU A 104 0.775 -10.820 1.374 1.00 0.00 C ATOM 1159 CD2 LEU A 104 -0.825 -12.221 -0.122 1.00 0.00 C ATOM 0 H LEU A 104 0.518 -9.033 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 104 2.099 -9.017 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.213 -9.313 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.332 -10.424 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 104 1.225 -11.986 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.852 -11.665 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.732 -10.300 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.006 -10.135 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.727 -13.057 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.718 -11.647 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.908 -12.602 -1.140 1.00 0.00 H new ATOM 1171 N ASP A 105 3.826 -10.653 -1.418 1.00 0.00 N ATOM 1172 CA ASP A 105 4.792 -11.736 -1.338 1.00 0.00 C ATOM 1173 C ASP A 105 4.492 -12.511 -0.060 1.00 0.00 C ATOM 1174 O ASP A 105 5.103 -12.281 0.988 1.00 0.00 O ATOM 1175 CB ASP A 105 6.216 -11.171 -1.265 1.00 0.00 C ATOM 1176 CG ASP A 105 7.291 -12.221 -1.540 1.00 0.00 C ATOM 1177 OD1 ASP A 105 7.073 -13.417 -1.235 1.00 0.00 O ATOM 1178 OD2 ASP A 105 8.369 -11.821 -2.041 1.00 0.00 O ATOM 0 H ASP A 105 4.195 -9.771 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 105 4.721 -12.376 -2.217 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.316 -10.359 -1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.380 -10.742 -0.277 1.00 0.00 H new ATOM 1184 N VAL A 106 3.503 -13.401 -0.088 1.00 0.00 N ATOM 1185 CA VAL A 106 3.193 -14.184 1.098 1.00 0.00 C ATOM 1186 C VAL A 106 4.399 -15.032 1.509 1.00 0.00 C ATOM 1187 O VAL A 106 4.573 -15.317 2.697 1.00 0.00 O ATOM 1188 CB VAL A 106 1.920 -15.008 0.848 1.00 0.00 C ATOM 1189 CG1 VAL A 106 2.180 -16.340 0.139 1.00 0.00 C ATOM 1190 CG2 VAL A 106 1.181 -15.197 2.168 1.00 0.00 C ATOM 0 H VAL A 106 2.916 -13.593 -0.900 1.00 0.00 H new ATOM 0 HA VAL A 106 2.987 -13.527 1.943 1.00 0.00 H new ATOM 0 HB VAL A 106 1.292 -14.448 0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.236 -16.867 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.641 -16.152 -0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.848 -16.951 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.276 -15.781 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.825 -15.722 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.913 -14.223 2.577 1.00 0.00 H new ATOM 1200 N GLY A 107 5.251 -15.391 0.542 1.00 0.00 N ATOM 1201 CA GLY A 107 6.394 -16.244 0.756 1.00 0.00 C ATOM 1202 C GLY A 107 7.386 -15.576 1.699 1.00 0.00 C ATOM 1203 O GLY A 107 7.766 -16.189 2.696 1.00 0.00 O ATOM 0 H GLY A 107 5.151 -15.083 -0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 107 6.071 -17.198 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.877 -16.461 -0.197 1.00 0.00 H new ATOM 1207 N GLN A 108 7.750 -14.318 1.431 1.00 0.00 N ATOM 1208 CA GLN A 108 8.657 -13.554 2.291 1.00 0.00 C ATOM 1209 C GLN A 108 7.919 -12.816 3.412 1.00 0.00 C ATOM 1210 O GLN A 108 8.532 -12.056 4.163 1.00 0.00 O ATOM 1211 CB GLN A 108 9.475 -12.556 1.451 1.00 0.00 C ATOM 1212 CG GLN A 108 10.905 -12.403 1.987 1.00 0.00 C ATOM 1213 CD GLN A 108 11.722 -13.666 1.727 1.00 0.00 C ATOM 1214 OE1 GLN A 108 11.858 -14.538 2.583 1.00 0.00 O ATOM 1215 NE2 GLN A 108 12.265 -13.783 0.530 1.00 0.00 N ATOM 0 H GLN A 108 7.425 -13.802 0.613 1.00 0.00 H new ATOM 0 HA GLN A 108 9.328 -14.271 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.509 -12.894 0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.979 -11.585 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.387 -11.549 1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.877 -12.197 3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.137 -13.045 -0.162 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.813 -14.611 0.297 1.00 0.00 H new ATOM 1224 N GLN A 109 6.598 -12.989 3.490 1.00 0.00 N ATOM 1225 CA GLN A 109 5.691 -12.147 4.247 1.00 0.00 C ATOM 1226 C GLN A 109 5.996 -10.665 4.029 1.00 0.00 C ATOM 1227 O GLN A 109 6.064 -9.888 4.985 1.00 0.00 O ATOM 1228 CB GLN A 109 5.665 -12.559 5.723 1.00 0.00 C ATOM 1229 CG GLN A 109 5.188 -14.004 5.859 1.00 0.00 C ATOM 1230 CD GLN A 109 4.772 -14.364 7.276 1.00 0.00 C ATOM 1231 OE1 GLN A 109 5.340 -15.270 7.882 1.00 0.00 O ATOM 1232 NE2 GLN A 109 3.726 -13.742 7.798 1.00 0.00 N ATOM 0 H GLN A 109 6.120 -13.750 3.007 1.00 0.00 H new ATOM 0 HA GLN A 109 4.678 -12.298 3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.660 -12.455 6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.004 -11.896 6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.345 -14.167 5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.985 -14.675 5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 109 3.268 -12.992 7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.379 -14.013 8.718 1.00 0.00 H new ATOM 1241 N ARG A 110 6.134 -10.272 2.763 1.00 0.00 N ATOM 1242 CA ARG A 110 6.330 -8.893 2.342 1.00 0.00 C ATOM 1243 C ARG A 110 5.100 -8.448 1.573 1.00 0.00 C ATOM 1244 O ARG A 110 4.427 -9.245 0.922 1.00 0.00 O ATOM 1245 CB ARG A 110 7.647 -8.780 1.558 1.00 0.00 C ATOM 1246 CG ARG A 110 7.835 -7.422 0.867 1.00 0.00 C ATOM 1247 CD ARG A 110 9.151 -7.330 0.099 1.00 0.00 C ATOM 1248 NE ARG A 110 9.301 -8.410 -0.887 1.00 0.00 N ATOM 1249 CZ ARG A 110 10.385 -9.177 -1.056 1.00 0.00 C ATOM 1250 NH1 ARG A 110 11.421 -9.093 -0.234 1.00 0.00 N ATOM 1251 NH2 ARG A 110 10.422 -10.040 -2.061 1.00 0.00 N ATOM 0 H ARG A 110 6.111 -10.927 1.982 1.00 0.00 H new ATOM 0 HA ARG A 110 6.433 -8.216 3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.481 -8.951 2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.682 -9.569 0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.006 -7.250 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.799 -6.630 1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.205 -6.367 -0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.983 -7.366 0.803 1.00 0.00 H new ATOM 0 HE ARG A 110 8.505 -8.592 -1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 110 11.402 -8.435 0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.238 -9.687 -0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.629 -10.116 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 110 11.244 -10.629 -2.198 1.00 0.00 H new ATOM 1265 N LEU A 111 4.820 -7.153 1.600 1.00 0.00 N ATOM 1266 CA LEU A 111 3.935 -6.496 0.669 1.00 0.00 C ATOM 1267 C LEU A 111 4.819 -5.558 -0.145 1.00 0.00 C ATOM 1268 O LEU A 111 5.248 -4.528 0.369 1.00 0.00 O ATOM 1269 CB LEU A 111 2.799 -5.802 1.426 1.00 0.00 C ATOM 1270 CG LEU A 111 1.834 -5.025 0.525 1.00 0.00 C ATOM 1271 CD1 LEU A 111 1.043 -5.950 -0.403 1.00 0.00 C ATOM 1272 CD2 LEU A 111 0.862 -4.246 1.419 1.00 0.00 C ATOM 0 H LEU A 111 5.217 -6.519 2.293 1.00 0.00 H new ATOM 0 HA LEU A 111 3.429 -7.183 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.236 -6.551 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.228 -5.117 2.157 1.00 0.00 H new ATOM 0 HG LEU A 111 2.415 -4.352 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.372 -5.356 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.733 -6.502 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.460 -6.652 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.165 -3.685 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.307 -4.943 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.422 -3.556 2.050 1.00 0.00 H new ATOM 1284 N ASN A 112 5.160 -5.972 -1.370 1.00 0.00 N ATOM 1285 CA ASN A 112 5.956 -5.224 -2.341 1.00 0.00 C ATOM 1286 C ASN A 112 5.127 -4.027 -2.783 1.00 0.00 C ATOM 1287 O ASN A 112 4.293 -4.132 -3.691 1.00 0.00 O ATOM 1288 CB ASN A 112 6.307 -6.075 -3.570 1.00 0.00 C ATOM 1289 CG ASN A 112 7.429 -7.073 -3.339 1.00 0.00 C ATOM 1290 OD1 ASN A 112 8.610 -6.760 -3.348 1.00 0.00 O ATOM 1291 ND2 ASN A 112 7.090 -8.327 -3.115 1.00 0.00 N ATOM 0 H ASN A 112 4.873 -6.884 -1.726 1.00 0.00 H new ATOM 0 HA ASN A 112 6.894 -4.920 -1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.416 -6.615 -3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.589 -5.412 -4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 112 7.812 -9.029 -2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 112 6.106 -8.595 -3.106 1.00 0.00 H new ATOM 1298 N LEU A 113 5.301 -2.917 -2.081 1.00 0.00 N ATOM 1299 CA LEU A 113 4.635 -1.653 -2.298 1.00 0.00 C ATOM 1300 C LEU A 113 5.586 -0.785 -3.114 1.00 0.00 C ATOM 1301 O LEU A 113 6.742 -0.615 -2.733 1.00 0.00 O ATOM 1302 CB LEU A 113 4.305 -1.036 -0.916 1.00 0.00 C ATOM 1303 CG LEU A 113 2.888 -0.484 -0.753 1.00 0.00 C ATOM 1304 CD1 LEU A 113 2.684 0.697 -1.688 1.00 0.00 C ATOM 1305 CD2 LEU A 113 1.827 -1.585 -0.915 1.00 0.00 C ATOM 0 H LEU A 113 5.953 -2.879 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 113 3.697 -1.753 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.468 -1.796 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.013 -0.230 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 113 2.762 -0.115 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.673 1.086 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.405 1.479 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.828 0.374 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.833 -1.154 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.911 -2.028 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 113 1.984 -2.355 -0.160 1.00 0.00 H new ATOM 1317 N THR A 114 5.124 -0.222 -4.225 1.00 0.00 N ATOM 1318 CA THR A 114 5.907 0.718 -5.000 1.00 0.00 C ATOM 1319 C THR A 114 5.017 1.935 -5.252 1.00 0.00 C ATOM 1320 O THR A 114 3.788 1.804 -5.268 1.00 0.00 O ATOM 1321 CB THR A 114 6.395 0.033 -6.290 1.00 0.00 C ATOM 1322 OG1 THR A 114 7.113 -1.150 -5.976 1.00 0.00 O ATOM 1323 CG2 THR A 114 7.288 0.951 -7.125 1.00 0.00 C ATOM 0 H THR A 114 4.197 -0.408 -4.609 1.00 0.00 H new ATOM 0 HA THR A 114 6.805 1.050 -4.479 1.00 0.00 H new ATOM 0 HB THR A 114 5.509 -0.209 -6.877 1.00 0.00 H new ATOM 0 HG1 THR A 114 7.417 -1.578 -6.804 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.609 0.426 -8.025 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.730 1.845 -7.405 1.00 0.00 H new ATOM 0 HG23 THR A 114 8.163 1.237 -6.541 1.00 0.00 H new ATOM 1331 N ILE A 115 5.640 3.103 -5.421 1.00 0.00 N ATOM 1332 CA ILE A 115 5.126 4.444 -5.685 1.00 0.00 C ATOM 1333 C ILE A 115 6.209 5.175 -6.498 1.00 0.00 C ATOM 1334 O ILE A 115 7.395 4.957 -6.235 1.00 0.00 O ATOM 1335 CB ILE A 115 4.835 5.144 -4.326 1.00 0.00 C ATOM 1336 CG1 ILE A 115 3.628 4.465 -3.662 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.625 6.661 -4.407 1.00 0.00 C ATOM 1338 CD1 ILE A 115 3.075 5.168 -2.425 1.00 0.00 C ATOM 0 H ILE A 115 6.658 3.130 -5.368 1.00 0.00 H new ATOM 0 HA ILE A 115 4.194 4.437 -6.249 1.00 0.00 H new ATOM 0 HB ILE A 115 5.735 5.025 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.829 4.383 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.912 3.450 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.429 7.055 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.521 7.131 -4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.776 6.877 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.226 4.606 -2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.851 5.227 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.752 6.174 -2.692 1.00 0.00 H new ATOM 1350 N PRO A 116 5.842 6.047 -7.453 1.00 0.00 N ATOM 1351 CA PRO A 116 6.756 6.954 -8.136 1.00 0.00 C ATOM 1352 C PRO A 116 7.225 8.084 -7.204 1.00 0.00 C ATOM 1353 O PRO A 116 6.452 8.572 -6.382 1.00 0.00 O ATOM 1354 CB PRO A 116 5.939 7.521 -9.296 1.00 0.00 C ATOM 1355 CG PRO A 116 4.501 7.472 -8.821 1.00 0.00 C ATOM 1356 CD PRO A 116 4.484 6.251 -7.926 1.00 0.00 C ATOM 0 HA PRO A 116 7.660 6.444 -8.469 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.243 8.541 -9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.076 6.930 -10.202 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.224 8.375 -8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.804 7.373 -9.653 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.803 6.398 -7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.132 5.377 -8.474 1.00 0.00 H new ATOM 1364 N GLN A 117 8.446 8.598 -7.388 1.00 0.00 N ATOM 1365 CA GLN A 117 8.997 9.678 -6.554 1.00 0.00 C ATOM 1366 C GLN A 117 8.141 10.951 -6.617 1.00 0.00 C ATOM 1367 O GLN A 117 8.181 11.765 -5.691 1.00 0.00 O ATOM 1368 CB GLN A 117 10.433 10.037 -6.970 1.00 0.00 C ATOM 1369 CG GLN A 117 11.501 8.976 -6.697 1.00 0.00 C ATOM 1370 CD GLN A 117 11.782 8.737 -5.211 1.00 0.00 C ATOM 1371 OE1 GLN A 117 12.453 9.521 -4.540 1.00 0.00 O ATOM 1372 NE2 GLN A 117 11.316 7.633 -4.654 1.00 0.00 N ATOM 0 H GLN A 117 9.082 8.279 -8.119 1.00 0.00 H new ATOM 0 HA GLN A 117 8.995 9.296 -5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.435 10.258 -8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.720 10.953 -6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 117 11.188 8.036 -7.152 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.428 9.275 -7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.759 6.980 -5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.513 7.434 -3.673 1.00 0.00 H new ATOM 1381 N ALA A 118 7.347 11.122 -7.679 1.00 0.00 N ATOM 1382 CA ALA A 118 6.404 12.220 -7.818 1.00 0.00 C ATOM 1383 C ALA A 118 5.358 12.257 -6.692 1.00 0.00 C ATOM 1384 O ALA A 118 4.755 13.307 -6.487 1.00 0.00 O ATOM 1385 CB ALA A 118 5.738 12.130 -9.198 1.00 0.00 C ATOM 0 H ALA A 118 7.347 10.486 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 118 6.956 13.156 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.028 12.949 -9.314 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.500 12.198 -9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.212 11.179 -9.287 1.00 0.00 H new ATOM 1391 N PHE A 119 5.139 11.166 -5.941 1.00 0.00 N ATOM 1392 CA PHE A 119 4.126 11.116 -4.895 1.00 0.00 C ATOM 1393 C PHE A 119 4.811 10.813 -3.554 1.00 0.00 C ATOM 1394 O PHE A 119 4.238 10.184 -2.665 1.00 0.00 O ATOM 1395 CB PHE A 119 3.114 10.025 -5.289 1.00 0.00 C ATOM 1396 CG PHE A 119 2.185 10.325 -6.457 1.00 0.00 C ATOM 1397 CD1 PHE A 119 2.673 10.562 -7.754 1.00 0.00 C ATOM 1398 CD2 PHE A 119 0.797 10.241 -6.274 1.00 0.00 C ATOM 1399 CE1 PHE A 119 1.798 10.746 -8.830 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -0.091 10.405 -7.354 1.00 0.00 C ATOM 1401 CZ PHE A 119 0.412 10.652 -8.639 1.00 0.00 C ATOM 0 H PHE A 119 5.664 10.298 -6.048 1.00 0.00 H new ATOM 0 HA PHE A 119 3.600 12.064 -4.785 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.670 9.118 -5.525 1.00 0.00 H new ATOM 0 HB3 PHE A 119 2.499 9.804 -4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 119 3.739 10.603 -7.922 1.00 0.00 H new ATOM 0 HD2 PHE A 119 0.403 10.047 -5.287 1.00 0.00 H new ATOM 0 HE1 PHE A 119 2.192 10.961 -9.812 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -1.157 10.341 -7.193 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.262 10.769 -9.475 1.00 0.00 H new ATOM 1411 N MET A 120 6.003 11.366 -3.332 1.00 0.00 N ATOM 1412 CA MET A 120 6.800 11.125 -2.136 1.00 0.00 C ATOM 1413 C MET A 120 7.150 12.481 -1.571 1.00 0.00 C ATOM 1414 O MET A 120 7.849 13.255 -2.220 1.00 0.00 O ATOM 1415 CB MET A 120 8.052 10.305 -2.469 1.00 0.00 C ATOM 1416 CG MET A 120 7.704 8.878 -2.909 1.00 0.00 C ATOM 1417 SD MET A 120 6.767 7.873 -1.723 1.00 0.00 S ATOM 1418 CE MET A 120 7.892 7.886 -0.304 1.00 0.00 C ATOM 0 H MET A 120 6.447 12.005 -3.992 1.00 0.00 H new ATOM 0 HA MET A 120 6.245 10.540 -1.402 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.611 10.803 -3.262 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.703 10.266 -1.596 1.00 0.00 H new ATOM 0 HG2 MET A 120 7.132 8.936 -3.835 1.00 0.00 H new ATOM 0 HG3 MET A 120 8.632 8.356 -3.141 1.00 0.00 H new ATOM 0 HE1 MET A 120 7.536 7.183 0.449 1.00 0.00 H new ATOM 0 HE2 MET A 120 8.891 7.595 -0.629 1.00 0.00 H new ATOM 0 HE3 MET A 120 7.927 8.888 0.124 1.00 0.00 H new ATOM 1428 N SER A 121 6.612 12.794 -0.396 1.00 0.00 N ATOM 1429 CA SER A 121 6.686 14.119 0.194 1.00 0.00 C ATOM 1430 C SER A 121 8.149 14.579 0.282 1.00 0.00 C ATOM 1431 O SER A 121 8.490 15.595 -0.323 1.00 0.00 O ATOM 1432 CB SER A 121 5.918 14.084 1.515 1.00 0.00 C ATOM 1433 OG SER A 121 5.538 15.378 1.919 1.00 0.00 O ATOM 0 H SER A 121 6.105 12.121 0.179 1.00 0.00 H new ATOM 0 HA SER A 121 6.208 14.880 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 121 5.031 13.459 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.538 13.627 2.287 1.00 0.00 H new ATOM 0 HG SER A 121 5.047 15.325 2.766 1.00 0.00 H new