USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 695 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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 THR OG1 : rot 70:sc= -1.2 USER MOD Set 2.1: A 27 CYS SG : rot -95:sc= -0.943 USER MOD Set 2.2: A 66 CYS SG : rot -168:sc= -1.35 USER MOD Set 3.1: A 23 ASN : amide:sc= -5.13! C(o=-8.8!,f=-9!) USER MOD Set 3.2: A 28 THR OG1 : rot -160:sc= -3.65 USER MOD Set 4.1: A 19 SER OG : rot 172:sc= -0.636! USER MOD Set 4.2: A 103 GLN : amide:sc= -2.45 K(o=-3.1,f=-4.9!) USER MOD Set 5.1: A 9 MET CE :methyl -170:sc= -1.16 (180deg=-0.982) USER MOD Set 5.2: A 11 LYS NZ :NH3+ -134:sc= 0.372 (180deg=1.12) USER MOD Set 6.1: A 5 ASN : amide:sc= -3.43 K(o=-3.4,f=-4.3!) USER MOD Set 6.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -146:sc= -2.76! (180deg=-6.81!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -170:sc= -1.19 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 36 GLN : amide:sc= -1.81 K(o=-1.8,f=-2.4!) USER MOD Single : A 37 TYR OH : rot -79:sc= 1.27 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= 1.12 (180deg=0.909) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0589) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 67 TYR OH : rot 98:sc= 0.839 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.238 K(o=0.24,f=-1.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 173:sc= -0.373 (180deg=-0.522) USER MOD Single : A 104 TYR OH : rot -135:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.537 -10.130 -14.369 1.00 0.00 N ATOM 2 CA LEU A 1 -1.200 -9.160 -13.295 1.00 0.00 C ATOM 3 C LEU A 1 -0.835 -7.798 -13.877 1.00 0.00 C ATOM 4 O LEU A 1 0.161 -7.664 -14.590 1.00 0.00 O ATOM 5 CB LEU A 1 -0.032 -9.721 -12.481 1.00 0.00 C ATOM 6 CG LEU A 1 -0.398 -10.220 -11.083 1.00 0.00 C ATOM 7 CD1 LEU A 1 -1.170 -11.526 -11.168 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.854 -10.392 -10.235 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.781 -11.047 -13.944 1.00 0.00 H new ATOM 0 H2 LEU A 1 -2.347 -9.775 -14.916 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.719 -10.248 -15.000 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.070 -9.018 -12.653 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.417 -10.544 -13.038 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.730 -8.947 -12.386 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.036 -9.476 -10.607 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -1.422 -11.866 -10.163 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -2.086 -11.371 -11.739 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -0.557 -12.279 -11.663 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.576 -10.748 -9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.517 -11.117 -10.708 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.368 -9.435 -10.146 1.00 0.00 H new ATOM 22 N GLU A 2 -1.643 -6.790 -13.568 1.00 0.00 N ATOM 23 CA GLU A 2 -1.398 -5.438 -14.060 1.00 0.00 C ATOM 24 C GLU A 2 -0.566 -4.642 -13.063 1.00 0.00 C ATOM 25 O GLU A 2 -0.534 -4.959 -11.876 1.00 0.00 O ATOM 26 CB GLU A 2 -2.723 -4.713 -14.315 1.00 0.00 C ATOM 27 CG GLU A 2 -2.726 -3.883 -15.589 1.00 0.00 C ATOM 28 CD GLU A 2 -3.364 -4.608 -16.758 1.00 0.00 C ATOM 29 OE1 GLU A 2 -2.722 -5.531 -17.305 1.00 0.00 O ATOM 30 OE2 GLU A 2 -4.504 -4.255 -17.126 1.00 0.00 O ATOM 0 H GLU A 2 -2.472 -6.882 -12.981 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.846 -5.517 -14.996 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.526 -5.448 -14.368 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.941 -4.063 -13.467 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.261 -2.951 -15.409 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.701 -3.617 -15.847 1.00 0.00 H new ATOM 37 N LYS A 3 0.092 -3.599 -13.553 1.00 0.00 N ATOM 38 CA LYS A 3 0.907 -2.748 -12.699 1.00 0.00 C ATOM 39 C LYS A 3 0.972 -1.333 -13.253 1.00 0.00 C ATOM 40 O LYS A 3 1.280 -1.124 -14.427 1.00 0.00 O ATOM 41 CB LYS A 3 2.325 -3.306 -12.554 1.00 0.00 C ATOM 42 CG LYS A 3 2.379 -4.801 -12.296 1.00 0.00 C ATOM 43 CD LYS A 3 3.815 -5.288 -12.204 1.00 0.00 C ATOM 44 CE LYS A 3 3.935 -6.512 -11.313 1.00 0.00 C ATOM 45 NZ LYS A 3 3.871 -7.779 -12.096 1.00 0.00 N ATOM 0 H LYS A 3 0.077 -3.323 -14.535 1.00 0.00 H new ATOM 0 HA LYS A 3 0.437 -2.726 -11.716 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.886 -3.084 -13.462 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.826 -2.789 -11.736 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.853 -5.033 -11.370 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.863 -5.330 -13.097 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.183 -5.526 -13.202 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.446 -4.490 -11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.876 -6.471 -10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.135 -6.502 -10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.957 -8.590 -11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.962 -7.831 -12.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.650 -7.801 -12.785 1.00 0.00 H new ATOM 59 N PHE A 4 0.695 -0.363 -12.393 1.00 0.00 N ATOM 60 CA PHE A 4 0.734 1.038 -12.781 1.00 0.00 C ATOM 61 C PHE A 4 1.387 1.858 -11.677 1.00 0.00 C ATOM 62 O PHE A 4 1.647 1.343 -10.591 1.00 0.00 O ATOM 63 CB PHE A 4 -0.677 1.554 -13.084 1.00 0.00 C ATOM 64 CG PHE A 4 -1.537 1.751 -11.867 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.202 0.682 -11.287 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.680 3.007 -11.307 1.00 0.00 C ATOM 67 CE1 PHE A 4 -2.994 0.866 -10.170 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.471 3.195 -10.194 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.128 2.126 -9.623 1.00 0.00 C ATOM 0 H PHE A 4 0.440 -0.523 -11.418 1.00 0.00 H new ATOM 0 HA PHE A 4 1.327 1.139 -13.690 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.598 2.502 -13.616 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.172 0.852 -13.755 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.100 -0.305 -11.713 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.167 3.850 -11.746 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.507 0.026 -9.726 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.576 4.182 -9.768 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.746 2.274 -8.750 1.00 0.00 H new ATOM 79 N ASN A 5 1.667 3.125 -11.954 1.00 0.00 N ATOM 80 CA ASN A 5 2.306 3.984 -10.966 1.00 0.00 C ATOM 81 C ASN A 5 1.336 5.023 -10.422 1.00 0.00 C ATOM 82 O ASN A 5 0.588 5.647 -11.173 1.00 0.00 O ATOM 83 CB ASN A 5 3.527 4.679 -11.577 1.00 0.00 C ATOM 84 CG ASN A 5 4.813 4.335 -10.852 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.856 4.136 -11.474 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.746 4.267 -9.527 1.00 0.00 N ATOM 0 H ASN A 5 1.464 3.577 -12.846 1.00 0.00 H new ATOM 0 HA ASN A 5 2.628 3.354 -10.137 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.617 4.394 -12.625 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.377 5.758 -11.552 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.580 4.042 -8.985 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.860 4.439 -9.052 1.00 0.00 H new ATOM 93 N VAL A 6 1.363 5.207 -9.107 1.00 0.00 N ATOM 94 CA VAL A 6 0.496 6.173 -8.451 1.00 0.00 C ATOM 95 C VAL A 6 1.313 7.288 -7.825 1.00 0.00 C ATOM 96 O VAL A 6 1.968 7.090 -6.805 1.00 0.00 O ATOM 97 CB VAL A 6 -0.346 5.510 -7.347 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.400 6.471 -6.819 1.00 0.00 C ATOM 99 CG2 VAL A 6 -0.975 4.228 -7.852 1.00 0.00 C ATOM 0 H VAL A 6 1.979 4.697 -8.474 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.166 6.579 -9.216 1.00 0.00 H new ATOM 0 HB VAL A 6 0.315 5.255 -6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.983 5.980 -6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.913 7.354 -6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.061 6.769 -7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.566 3.775 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.620 4.450 -8.702 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.192 3.536 -8.162 1.00 0.00 H new ATOM 109 N ASP A 7 1.272 8.466 -8.433 1.00 0.00 N ATOM 110 CA ASP A 7 2.017 9.599 -7.915 1.00 0.00 C ATOM 111 C ASP A 7 1.077 10.655 -7.352 1.00 0.00 C ATOM 112 O ASP A 7 0.160 11.110 -8.036 1.00 0.00 O ATOM 113 CB ASP A 7 2.882 10.211 -9.017 1.00 0.00 C ATOM 114 CG ASP A 7 2.057 10.713 -10.186 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.249 9.927 -10.724 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.217 11.893 -10.562 1.00 0.00 O ATOM 0 H ASP A 7 0.735 8.659 -9.278 1.00 0.00 H new ATOM 0 HA ASP A 7 2.660 9.242 -7.110 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.462 11.036 -8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.595 9.466 -9.372 1.00 0.00 H new ATOM 121 N LEU A 8 1.317 11.056 -6.108 1.00 0.00 N ATOM 122 CA LEU A 8 0.495 12.078 -5.475 1.00 0.00 C ATOM 123 C LEU A 8 1.314 12.868 -4.470 1.00 0.00 C ATOM 124 O LEU A 8 2.355 12.411 -4.007 1.00 0.00 O ATOM 125 CB LEU A 8 -0.761 11.478 -4.815 1.00 0.00 C ATOM 126 CG LEU A 8 -0.557 10.315 -3.828 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.298 9.213 -4.435 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.040 10.803 -2.514 1.00 0.00 C ATOM 0 H LEU A 8 2.069 10.691 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 8 0.152 12.757 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.280 12.279 -4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.426 11.134 -5.607 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.540 9.894 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.422 8.408 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.190 8.825 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.276 9.615 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.172 9.958 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.007 11.270 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.631 11.531 -2.058 1.00 0.00 H new ATOM 140 N MET A 9 0.849 14.061 -4.140 1.00 0.00 N ATOM 141 CA MET A 9 1.559 14.907 -3.194 1.00 0.00 C ATOM 142 C MET A 9 1.403 14.385 -1.775 1.00 0.00 C ATOM 143 O MET A 9 0.306 14.384 -1.217 1.00 0.00 O ATOM 144 CB MET A 9 1.060 16.345 -3.294 1.00 0.00 C ATOM 145 CG MET A 9 1.907 17.208 -4.217 1.00 0.00 C ATOM 146 SD MET A 9 2.836 18.473 -3.332 1.00 0.00 S ATOM 147 CE MET A 9 4.495 17.805 -3.440 1.00 0.00 C ATOM 0 H MET A 9 -0.012 14.464 -4.510 1.00 0.00 H new ATOM 0 HA MET A 9 2.619 14.887 -3.445 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.031 16.342 -3.653 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.050 16.790 -2.299 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.601 16.572 -4.766 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.261 17.686 -4.954 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.160 18.376 -2.792 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.488 16.762 -3.125 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.848 17.871 -4.469 1.00 0.00 H new ATOM 157 N LYS A 10 2.511 13.936 -1.202 1.00 0.00 N ATOM 158 CA LYS A 10 2.506 13.403 0.148 1.00 0.00 C ATOM 159 C LYS A 10 2.947 14.449 1.160 1.00 0.00 C ATOM 160 O LYS A 10 3.724 15.350 0.844 1.00 0.00 O ATOM 161 CB LYS A 10 3.419 12.182 0.243 1.00 0.00 C ATOM 162 CG LYS A 10 2.685 10.911 0.634 1.00 0.00 C ATOM 163 CD LYS A 10 2.453 10.857 2.138 1.00 0.00 C ATOM 164 CE LYS A 10 2.797 9.495 2.719 1.00 0.00 C ATOM 165 NZ LYS A 10 3.724 9.603 3.882 1.00 0.00 N ATOM 0 H LYS A 10 3.425 13.931 -1.654 1.00 0.00 H new ATOM 0 HA LYS A 10 1.482 13.109 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.910 12.029 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.203 12.380 0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.729 10.864 0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.263 10.042 0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.057 11.622 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.410 11.090 2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.882 8.992 3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.254 8.876 1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.364 8.783 3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.282 10.477 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.173 9.624 4.764 1.00 0.00 H new ATOM 179 N LYS A 11 2.450 14.308 2.376 1.00 0.00 N ATOM 180 CA LYS A 11 2.794 15.224 3.456 1.00 0.00 C ATOM 181 C LYS A 11 3.027 14.460 4.755 1.00 0.00 C ATOM 182 O LYS A 11 2.237 14.552 5.695 1.00 0.00 O ATOM 183 CB LYS A 11 1.690 16.266 3.649 1.00 0.00 C ATOM 184 CG LYS A 11 1.207 16.889 2.349 1.00 0.00 C ATOM 185 CD LYS A 11 2.269 17.782 1.730 1.00 0.00 C ATOM 186 CE LYS A 11 2.317 17.626 0.218 1.00 0.00 C ATOM 187 NZ LYS A 11 3.702 17.755 -0.313 1.00 0.00 N ATOM 0 H LYS A 11 1.804 13.566 2.644 1.00 0.00 H new ATOM 0 HA LYS A 11 3.716 15.738 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.845 15.798 4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.057 17.055 4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.937 16.101 1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.305 17.471 2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.064 18.822 1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.243 17.537 2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.912 16.653 -0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.680 18.380 -0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.698 18.381 -1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.319 18.157 0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.057 16.817 -0.588 1.00 0.00 H new ATOM 201 N ALA A 12 4.118 13.703 4.795 1.00 0.00 N ATOM 202 CA ALA A 12 4.463 12.915 5.972 1.00 0.00 C ATOM 203 C ALA A 12 3.322 11.980 6.367 1.00 0.00 C ATOM 204 O ALA A 12 3.221 11.560 7.520 1.00 0.00 O ATOM 205 CB ALA A 12 4.820 13.831 7.133 1.00 0.00 C ATOM 0 H ALA A 12 4.780 13.619 4.024 1.00 0.00 H new ATOM 0 HA ALA A 12 5.329 12.302 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.076 13.230 8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.673 14.452 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.968 14.469 7.369 1.00 0.00 H new ATOM 211 N GLY A 13 2.462 11.658 5.403 1.00 0.00 N ATOM 212 CA GLY A 13 1.341 10.775 5.674 1.00 0.00 C ATOM 213 C GLY A 13 0.104 11.527 6.125 1.00 0.00 C ATOM 214 O GLY A 13 0.089 12.122 7.202 1.00 0.00 O ATOM 0 H GLY A 13 2.522 11.992 4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.107 10.204 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.626 10.057 6.443 1.00 0.00 H new ATOM 218 N LYS A 14 -0.939 11.499 5.300 1.00 0.00 N ATOM 219 CA LYS A 14 -2.187 12.183 5.621 1.00 0.00 C ATOM 220 C LYS A 14 -3.341 11.647 4.769 1.00 0.00 C ATOM 221 O LYS A 14 -3.944 10.625 5.095 1.00 0.00 O ATOM 222 CB LYS A 14 -2.034 13.694 5.424 1.00 0.00 C ATOM 223 CG LYS A 14 -1.147 14.072 4.250 1.00 0.00 C ATOM 224 CD LYS A 14 -1.542 15.422 3.669 1.00 0.00 C ATOM 225 CE LYS A 14 -1.439 16.531 4.704 1.00 0.00 C ATOM 226 NZ LYS A 14 -2.777 17.061 5.085 1.00 0.00 N ATOM 0 H LYS A 14 -0.944 11.010 4.405 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.420 11.989 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.021 14.134 5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.622 14.130 6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.107 14.103 4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.218 13.307 3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.899 15.655 2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.563 15.371 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.932 16.153 5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.827 17.341 4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.663 17.815 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.251 17.445 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.353 16.294 5.487 1.00 0.00 H new ATOM 240 N GLU A 15 -3.637 12.344 3.675 1.00 0.00 N ATOM 241 CA GLU A 15 -4.705 11.959 2.766 1.00 0.00 C ATOM 242 C GLU A 15 -4.361 10.679 2.000 1.00 0.00 C ATOM 243 O GLU A 15 -5.191 10.160 1.256 1.00 0.00 O ATOM 244 CB GLU A 15 -5.006 13.101 1.797 1.00 0.00 C ATOM 245 CG GLU A 15 -6.030 14.089 2.332 1.00 0.00 C ATOM 246 CD GLU A 15 -6.043 15.393 1.555 1.00 0.00 C ATOM 247 OE1 GLU A 15 -4.950 15.907 1.239 1.00 0.00 O ATOM 248 OE2 GLU A 15 -7.146 15.898 1.262 1.00 0.00 O ATOM 0 H GLU A 15 -3.141 13.191 3.397 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.595 11.753 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.081 13.632 1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.369 12.685 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.021 13.637 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.816 14.297 3.380 1.00 0.00 H new ATOM 255 N LEU A 16 -3.137 10.173 2.169 1.00 0.00 N ATOM 256 CA LEU A 16 -2.720 8.957 1.469 1.00 0.00 C ATOM 257 C LEU A 16 -3.823 7.904 1.570 1.00 0.00 C ATOM 258 O LEU A 16 -4.087 7.163 0.624 1.00 0.00 O ATOM 259 CB LEU A 16 -1.414 8.420 2.078 1.00 0.00 C ATOM 260 CG LEU A 16 -0.184 8.431 1.158 1.00 0.00 C ATOM 261 CD1 LEU A 16 0.825 7.390 1.617 1.00 0.00 C ATOM 262 CD2 LEU A 16 -0.573 8.185 -0.294 1.00 0.00 C ATOM 0 H LEU A 16 -2.426 10.580 2.776 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.544 9.189 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.183 9.008 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.586 7.396 2.409 1.00 0.00 H new ATOM 0 HG LEU A 16 0.271 9.420 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.692 7.408 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.140 7.613 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.367 6.401 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.321 8.199 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.060 7.214 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.258 8.966 -0.624 1.00 0.00 H new ATOM 274 N GLY A 17 -4.484 7.892 2.723 1.00 0.00 N ATOM 275 CA GLY A 17 -5.595 6.991 2.982 1.00 0.00 C ATOM 276 C GLY A 17 -5.600 5.704 2.174 1.00 0.00 C ATOM 277 O GLY A 17 -6.539 5.446 1.420 1.00 0.00 O ATOM 0 H GLY A 17 -4.262 8.509 3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.591 6.734 4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.525 7.525 2.787 1.00 0.00 H new ATOM 281 N LEU A 18 -4.583 4.876 2.360 1.00 0.00 N ATOM 282 CA LEU A 18 -4.517 3.591 1.671 1.00 0.00 C ATOM 283 C LEU A 18 -4.023 2.512 2.627 1.00 0.00 C ATOM 284 O LEU A 18 -2.820 2.291 2.772 1.00 0.00 O ATOM 285 CB LEU A 18 -3.628 3.666 0.425 1.00 0.00 C ATOM 286 CG LEU A 18 -2.164 4.039 0.671 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.243 3.200 -0.199 1.00 0.00 C ATOM 288 CD2 LEU A 18 -1.943 5.515 0.401 1.00 0.00 C ATOM 0 H LEU A 18 -3.795 5.067 2.978 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.522 3.332 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.657 2.699 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.058 4.395 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.929 3.836 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.207 3.481 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.382 2.145 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.478 3.372 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.897 5.765 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.197 5.737 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.576 6.105 1.064 1.00 0.00 H new ATOM 300 N SER A 19 -4.965 1.846 3.288 1.00 0.00 N ATOM 301 CA SER A 19 -4.636 0.796 4.243 1.00 0.00 C ATOM 302 C SER A 19 -3.854 -0.323 3.569 1.00 0.00 C ATOM 303 O SER A 19 -4.382 -1.039 2.717 1.00 0.00 O ATOM 304 CB SER A 19 -5.911 0.246 4.888 1.00 0.00 C ATOM 305 OG SER A 19 -5.761 -1.116 5.253 1.00 0.00 O ATOM 0 H SER A 19 -5.965 2.016 3.178 1.00 0.00 H new ATOM 0 HA SER A 19 -4.008 1.226 5.023 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.157 0.836 5.771 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.745 0.348 4.194 1.00 0.00 H new ATOM 0 HG SER A 19 -6.542 -1.404 5.770 1.00 0.00 H new ATOM 311 N LEU A 20 -2.588 -0.455 3.950 1.00 0.00 N ATOM 312 CA LEU A 20 -1.715 -1.475 3.379 1.00 0.00 C ATOM 313 C LEU A 20 -1.661 -2.723 4.255 1.00 0.00 C ATOM 314 O LEU A 20 -2.117 -2.719 5.398 1.00 0.00 O ATOM 315 CB LEU A 20 -0.304 -0.912 3.200 1.00 0.00 C ATOM 316 CG LEU A 20 -0.243 0.543 2.739 1.00 0.00 C ATOM 317 CD1 LEU A 20 1.160 1.104 2.929 1.00 0.00 C ATOM 318 CD2 LEU A 20 -0.679 0.660 1.286 1.00 0.00 C ATOM 0 H LEU A 20 -2.142 0.133 4.654 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.125 -1.760 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.229 -1.000 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.228 -1.529 2.476 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.930 1.129 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.185 2.141 2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.432 1.055 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.869 0.518 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.629 1.703 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.018 0.062 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.702 0.299 1.183 1.00 0.00 H new ATOM 330 N SER A 21 -1.090 -3.789 3.702 1.00 0.00 N ATOM 331 CA SER A 21 -0.955 -5.053 4.415 1.00 0.00 C ATOM 332 C SER A 21 0.332 -5.763 3.998 1.00 0.00 C ATOM 333 O SER A 21 0.877 -5.492 2.928 1.00 0.00 O ATOM 334 CB SER A 21 -2.167 -5.949 4.145 1.00 0.00 C ATOM 335 OG SER A 21 -1.954 -6.777 3.014 1.00 0.00 O ATOM 0 H SER A 21 -0.711 -3.801 2.755 1.00 0.00 H new ATOM 0 HA SER A 21 -0.907 -4.845 5.484 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.366 -6.568 5.020 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.050 -5.331 3.985 1.00 0.00 H new ATOM 0 HG SER A 21 -2.793 -7.220 2.770 1.00 0.00 H new ATOM 341 N PRO A 22 0.840 -6.680 4.837 1.00 0.00 N ATOM 342 CA PRO A 22 2.074 -7.420 4.543 1.00 0.00 C ATOM 343 C PRO A 22 1.922 -8.357 3.349 1.00 0.00 C ATOM 344 O PRO A 22 1.030 -9.206 3.325 1.00 0.00 O ATOM 345 CB PRO A 22 2.328 -8.222 5.823 1.00 0.00 C ATOM 346 CG PRO A 22 0.992 -8.333 6.477 1.00 0.00 C ATOM 347 CD PRO A 22 0.261 -7.065 6.136 1.00 0.00 C ATOM 0 HA PRO A 22 2.892 -6.750 4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.741 -9.205 5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.044 -7.716 6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.450 -9.206 6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.093 -8.447 7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.815 -7.227 6.065 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.418 -6.294 6.891 1.00 0.00 H new ATOM 355 N ASN A 23 2.801 -8.203 2.363 1.00 0.00 N ATOM 356 CA ASN A 23 2.766 -9.041 1.168 1.00 0.00 C ATOM 357 C ASN A 23 4.156 -9.570 0.827 1.00 0.00 C ATOM 358 O ASN A 23 5.166 -9.051 1.302 1.00 0.00 O ATOM 359 CB ASN A 23 2.193 -8.265 -0.021 1.00 0.00 C ATOM 360 CG ASN A 23 0.997 -8.960 -0.640 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.883 -9.060 -1.861 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.095 -9.448 0.206 1.00 0.00 N ATOM 0 H ASN A 23 3.546 -7.506 2.368 1.00 0.00 H new ATOM 0 HA ASN A 23 2.117 -9.891 1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.901 -7.267 0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.968 -8.139 -0.777 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.731 -9.928 -0.151 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.229 -9.343 1.212 1.00 0.00 H new ATOM 369 N GLU A 24 4.197 -10.609 0.000 1.00 0.00 N ATOM 370 CA GLU A 24 5.457 -11.221 -0.413 1.00 0.00 C ATOM 371 C GLU A 24 6.108 -10.442 -1.553 1.00 0.00 C ATOM 372 O GLU A 24 7.299 -10.601 -1.825 1.00 0.00 O ATOM 373 CB GLU A 24 5.215 -12.665 -0.855 1.00 0.00 C ATOM 374 CG GLU A 24 4.324 -12.784 -2.080 1.00 0.00 C ATOM 375 CD GLU A 24 3.608 -14.118 -2.153 1.00 0.00 C ATOM 376 OE1 GLU A 24 2.648 -14.318 -1.380 1.00 0.00 O ATOM 377 OE2 GLU A 24 4.006 -14.961 -2.983 1.00 0.00 O ATOM 0 H GLU A 24 3.368 -11.048 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 24 6.132 -11.204 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.174 -13.137 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.762 -13.217 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.587 -11.981 -2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.927 -12.650 -2.978 1.00 0.00 H new ATOM 384 N ILE A 25 5.320 -9.612 -2.226 1.00 0.00 N ATOM 385 CA ILE A 25 5.815 -8.821 -3.345 1.00 0.00 C ATOM 386 C ILE A 25 5.708 -7.324 -3.069 1.00 0.00 C ATOM 387 O ILE A 25 6.156 -6.504 -3.871 1.00 0.00 O ATOM 388 CB ILE A 25 5.033 -9.145 -4.628 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.528 -9.021 -4.368 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.388 -10.541 -5.123 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.666 -9.516 -5.505 1.00 0.00 C ATOM 0 H ILE A 25 4.332 -9.469 -2.015 1.00 0.00 H new ATOM 0 HA ILE A 25 6.865 -9.081 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 25 5.308 -8.431 -5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.278 -9.580 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.288 -7.976 -4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.827 -10.758 -6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.456 -10.591 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.135 -11.274 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.615 -9.395 -5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.885 -8.941 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.875 -10.570 -5.688 1.00 0.00 H new ATOM 403 N GLY A 26 5.113 -6.971 -1.936 1.00 0.00 N ATOM 404 CA GLY A 26 4.960 -5.575 -1.586 1.00 0.00 C ATOM 405 C GLY A 26 3.992 -5.376 -0.439 1.00 0.00 C ATOM 406 O GLY A 26 4.174 -5.940 0.639 1.00 0.00 O ATOM 0 H GLY A 26 4.734 -7.628 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.931 -5.161 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.609 -5.020 -2.456 1.00 0.00 H new ATOM 410 N CYS A 27 2.963 -4.571 -0.667 1.00 0.00 N ATOM 411 CA CYS A 27 1.970 -4.305 0.365 1.00 0.00 C ATOM 412 C CYS A 27 0.561 -4.244 -0.215 1.00 0.00 C ATOM 413 O CYS A 27 0.190 -3.270 -0.869 1.00 0.00 O ATOM 414 CB CYS A 27 2.297 -2.994 1.078 1.00 0.00 C ATOM 415 SG CYS A 27 3.268 -3.198 2.587 1.00 0.00 S ATOM 0 H CYS A 27 2.794 -4.093 -1.552 1.00 0.00 H new ATOM 0 HA CYS A 27 2.002 -5.127 1.080 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.843 -2.346 0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.365 -2.485 1.324 1.00 0.00 H new ATOM 0 HG CYS A 27 2.472 -3.231 3.614 1.00 0.00 H new ATOM 421 N THR A 28 -0.227 -5.284 0.044 1.00 0.00 N ATOM 422 CA THR A 28 -1.603 -5.337 -0.442 1.00 0.00 C ATOM 423 C THR A 28 -2.463 -4.314 0.290 1.00 0.00 C ATOM 424 O THR A 28 -2.354 -4.153 1.505 1.00 0.00 O ATOM 425 CB THR A 28 -2.185 -6.738 -0.246 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.434 -7.700 -0.965 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.630 -6.855 -0.689 1.00 0.00 C ATOM 0 H THR A 28 0.062 -6.099 0.586 1.00 0.00 H new ATOM 0 HA THR A 28 -1.600 -5.102 -1.506 1.00 0.00 H new ATOM 0 HB THR A 28 -2.136 -6.923 0.827 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.975 -8.507 -1.095 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.980 -7.874 -0.523 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.244 -6.162 -0.114 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.706 -6.614 -1.749 1.00 0.00 H new ATOM 435 N ILE A 29 -3.318 -3.622 -0.453 1.00 0.00 N ATOM 436 CA ILE A 29 -4.193 -2.618 0.132 1.00 0.00 C ATOM 437 C ILE A 29 -5.398 -3.269 0.801 1.00 0.00 C ATOM 438 O ILE A 29 -6.324 -3.725 0.129 1.00 0.00 O ATOM 439 CB ILE A 29 -4.683 -1.611 -0.928 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.494 -1.028 -1.693 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.498 -0.503 -0.276 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.863 -0.467 -3.048 1.00 0.00 C ATOM 0 H ILE A 29 -3.423 -3.739 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.609 -2.083 0.881 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.326 -2.135 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.039 -0.239 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.740 -1.805 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.835 0.198 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.363 -0.935 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.880 0.023 0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.971 -0.071 -3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.291 -1.257 -3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.594 0.332 -2.924 1.00 0.00 H new ATOM 454 N ALA A 30 -5.379 -3.308 2.127 1.00 0.00 N ATOM 455 CA ALA A 30 -6.470 -3.901 2.890 1.00 0.00 C ATOM 456 C ALA A 30 -7.713 -3.022 2.837 1.00 0.00 C ATOM 457 O ALA A 30 -8.838 -3.515 2.942 1.00 0.00 O ATOM 458 CB ALA A 30 -6.045 -4.131 4.332 1.00 0.00 C ATOM 0 H ALA A 30 -4.619 -2.936 2.697 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.715 -4.863 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.871 -4.574 4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.188 -4.805 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.771 -3.179 4.787 1.00 0.00 H new ATOM 464 N ASP A 31 -7.510 -1.718 2.672 1.00 0.00 N ATOM 465 CA ASP A 31 -8.625 -0.779 2.603 1.00 0.00 C ATOM 466 C ASP A 31 -8.203 0.529 1.953 1.00 0.00 C ATOM 467 O ASP A 31 -7.017 0.778 1.738 1.00 0.00 O ATOM 468 CB ASP A 31 -9.180 -0.501 4.001 1.00 0.00 C ATOM 469 CG ASP A 31 -10.552 -1.113 4.213 1.00 0.00 C ATOM 470 OD1 ASP A 31 -11.217 -1.446 3.209 1.00 0.00 O ATOM 471 OD2 ASP A 31 -10.964 -1.258 5.383 1.00 0.00 O ATOM 0 H ASP A 31 -6.589 -1.289 2.584 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.403 -1.236 1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.490 -0.895 4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.238 0.576 4.158 1.00 0.00 H new ATOM 476 N LEU A 32 -9.188 1.363 1.644 1.00 0.00 N ATOM 477 CA LEU A 32 -8.932 2.643 1.023 1.00 0.00 C ATOM 478 C LEU A 32 -10.018 3.653 1.367 1.00 0.00 C ATOM 479 O LEU A 32 -11.208 3.395 1.175 1.00 0.00 O ATOM 480 CB LEU A 32 -8.828 2.479 -0.489 1.00 0.00 C ATOM 481 CG LEU A 32 -7.546 3.043 -1.085 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.777 1.965 -1.836 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.846 4.224 -1.995 1.00 0.00 C ATOM 0 H LEU A 32 -10.174 1.168 1.817 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.986 3.022 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.896 1.419 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.681 2.970 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.920 3.397 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.865 2.392 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.519 1.158 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.395 1.572 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.915 4.610 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.498 3.901 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.341 5.008 -1.422 1.00 0.00 H new ATOM 495 N ILE A 33 -9.596 4.808 1.865 1.00 0.00 N ATOM 496 CA ILE A 33 -10.526 5.869 2.222 1.00 0.00 C ATOM 497 C ILE A 33 -10.608 6.898 1.103 1.00 0.00 C ATOM 498 O ILE A 33 -9.734 7.752 0.960 1.00 0.00 O ATOM 499 CB ILE A 33 -10.120 6.570 3.536 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.644 6.973 3.506 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.410 5.682 4.726 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.128 7.486 4.832 1.00 0.00 C ATOM 0 H ILE A 33 -8.615 5.033 2.031 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.502 5.407 2.371 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.715 7.478 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.048 6.113 3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.502 7.743 2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.117 6.194 5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.476 5.457 4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.846 4.754 4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.075 7.752 4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.699 8.366 5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.237 6.710 5.590 1.00 0.00 H new ATOM 514 N GLN A 34 -11.661 6.799 0.302 1.00 0.00 N ATOM 515 CA GLN A 34 -11.859 7.710 -0.817 1.00 0.00 C ATOM 516 C GLN A 34 -12.192 9.113 -0.327 1.00 0.00 C ATOM 517 O GLN A 34 -12.700 9.293 0.780 1.00 0.00 O ATOM 518 CB GLN A 34 -12.963 7.184 -1.733 1.00 0.00 C ATOM 519 CG GLN A 34 -12.660 5.810 -2.310 1.00 0.00 C ATOM 520 CD GLN A 34 -13.748 5.313 -3.241 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.883 5.789 -3.198 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.406 4.352 -4.090 1.00 0.00 N ATOM 0 H GLN A 34 -12.392 6.096 0.407 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.929 7.766 -1.383 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.898 7.138 -1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.114 7.889 -2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.714 5.848 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.532 5.098 -1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.453 3.987 -4.091 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.096 3.978 -4.742 1.00 0.00 H new ATOM 531 N GLY A 35 -11.883 10.108 -1.152 1.00 0.00 N ATOM 532 CA GLY A 35 -12.137 11.487 -0.779 1.00 0.00 C ATOM 533 C GLY A 35 -10.914 12.142 -0.168 1.00 0.00 C ATOM 534 O GLY A 35 -10.800 13.368 -0.144 1.00 0.00 O ATOM 0 H GLY A 35 -11.461 9.984 -2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.449 12.050 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.962 11.525 -0.068 1.00 0.00 H new ATOM 538 N GLN A 36 -9.993 11.315 0.323 1.00 0.00 N ATOM 539 CA GLN A 36 -8.764 11.800 0.935 1.00 0.00 C ATOM 540 C GLN A 36 -7.831 12.391 -0.115 1.00 0.00 C ATOM 541 O GLN A 36 -7.313 13.493 0.053 1.00 0.00 O ATOM 542 CB GLN A 36 -8.076 10.659 1.690 1.00 0.00 C ATOM 543 CG GLN A 36 -8.500 10.547 3.144 1.00 0.00 C ATOM 544 CD GLN A 36 -9.981 10.264 3.301 1.00 0.00 C ATOM 545 OE1 GLN A 36 -10.562 9.494 2.535 1.00 0.00 O ATOM 546 NE2 GLN A 36 -10.601 10.888 4.295 1.00 0.00 N ATOM 0 H GLN A 36 -10.079 10.299 0.307 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.013 12.592 1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.292 9.718 1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.997 10.804 1.646 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.929 9.752 3.624 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.254 11.474 3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.080 11.518 4.906 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.598 10.738 4.448 1.00 0.00 H new ATOM 555 N TYR A 37 -7.630 11.663 -1.204 1.00 0.00 N ATOM 556 CA TYR A 37 -6.768 12.133 -2.279 1.00 0.00 C ATOM 557 C TYR A 37 -7.384 11.820 -3.641 1.00 0.00 C ATOM 558 O TYR A 37 -7.996 10.769 -3.829 1.00 0.00 O ATOM 559 CB TYR A 37 -5.382 11.496 -2.167 1.00 0.00 C ATOM 560 CG TYR A 37 -4.368 12.332 -1.410 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.335 13.719 -1.532 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.426 11.728 -0.588 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.395 14.472 -0.853 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.481 12.474 0.089 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.469 13.845 -0.046 1.00 0.00 C ATOM 566 OH TYR A 37 -1.530 14.593 0.627 1.00 0.00 O ATOM 0 H TYR A 37 -8.050 10.748 -1.366 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.666 13.214 -2.187 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.479 10.529 -1.673 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.001 11.305 -3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.055 14.214 -2.167 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.432 10.654 -0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.386 15.547 -0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.755 11.985 0.721 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.807 14.839 0.013 1.00 0.00 H new ATOM 576 N PRO A 38 -7.234 12.740 -4.609 1.00 0.00 N ATOM 577 CA PRO A 38 -7.787 12.565 -5.957 1.00 0.00 C ATOM 578 C PRO A 38 -7.077 11.474 -6.753 1.00 0.00 C ATOM 579 O PRO A 38 -7.721 10.608 -7.344 1.00 0.00 O ATOM 580 CB PRO A 38 -7.567 13.931 -6.609 1.00 0.00 C ATOM 581 CG PRO A 38 -6.419 14.529 -5.875 1.00 0.00 C ATOM 582 CD PRO A 38 -6.524 14.024 -4.463 1.00 0.00 C ATOM 0 HA PRO A 38 -8.830 12.250 -5.926 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.346 13.830 -7.672 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.457 14.555 -6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.471 14.234 -6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.461 15.618 -5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.541 13.890 -4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.075 14.718 -3.828 1.00 0.00 H new ATOM 590 N GLU A 39 -5.749 11.522 -6.770 1.00 0.00 N ATOM 591 CA GLU A 39 -4.961 10.536 -7.502 1.00 0.00 C ATOM 592 C GLU A 39 -5.199 9.133 -6.958 1.00 0.00 C ATOM 593 O GLU A 39 -5.474 8.201 -7.713 1.00 0.00 O ATOM 594 CB GLU A 39 -3.473 10.879 -7.423 1.00 0.00 C ATOM 595 CG GLU A 39 -3.013 11.848 -8.501 1.00 0.00 C ATOM 596 CD GLU A 39 -2.941 11.202 -9.871 1.00 0.00 C ATOM 597 OE1 GLU A 39 -2.064 10.335 -10.073 1.00 0.00 O ATOM 598 OE2 GLU A 39 -3.761 11.561 -10.741 1.00 0.00 O ATOM 0 H GLU A 39 -5.197 12.231 -6.287 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.278 10.560 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.259 11.309 -6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.892 9.960 -7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.697 12.696 -8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.031 12.241 -8.236 1.00 0.00 H new ATOM 605 N ILE A 40 -5.089 8.989 -5.643 1.00 0.00 N ATOM 606 CA ILE A 40 -5.290 7.697 -4.996 1.00 0.00 C ATOM 607 C ILE A 40 -6.662 7.123 -5.329 1.00 0.00 C ATOM 608 O ILE A 40 -6.779 5.977 -5.762 1.00 0.00 O ATOM 609 CB ILE A 40 -5.143 7.804 -3.467 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.895 8.622 -3.110 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.083 6.414 -2.848 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.461 8.479 -1.670 1.00 0.00 C ATOM 0 H ILE A 40 -4.862 9.750 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.519 7.028 -5.379 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.013 8.320 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.074 8.316 -3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.090 9.674 -3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.979 6.502 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.999 5.872 -3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.228 5.872 -3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.573 9.087 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.264 8.813 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.232 7.434 -1.461 1.00 0.00 H new ATOM 624 N ASP A 41 -7.700 7.929 -5.128 1.00 0.00 N ATOM 625 CA ASP A 41 -9.065 7.504 -5.415 1.00 0.00 C ATOM 626 C ASP A 41 -9.220 7.136 -6.887 1.00 0.00 C ATOM 627 O ASP A 41 -10.029 6.280 -7.244 1.00 0.00 O ATOM 628 CB ASP A 41 -10.055 8.611 -5.046 1.00 0.00 C ATOM 629 CG ASP A 41 -11.498 8.167 -5.180 1.00 0.00 C ATOM 630 OD1 ASP A 41 -11.744 6.941 -5.171 1.00 0.00 O ATOM 631 OD2 ASP A 41 -12.380 9.042 -5.295 1.00 0.00 O ATOM 0 H ASP A 41 -7.621 8.880 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.279 6.621 -4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.871 8.932 -4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.883 9.476 -5.687 1.00 0.00 H new ATOM 636 N SER A 42 -8.436 7.793 -7.738 1.00 0.00 N ATOM 637 CA SER A 42 -8.477 7.541 -9.174 1.00 0.00 C ATOM 638 C SER A 42 -7.368 6.587 -9.604 1.00 0.00 C ATOM 639 O SER A 42 -7.216 6.299 -10.791 1.00 0.00 O ATOM 640 CB SER A 42 -8.339 8.858 -9.939 1.00 0.00 C ATOM 641 OG SER A 42 -9.595 9.493 -10.099 1.00 0.00 O ATOM 0 H SER A 42 -7.763 8.506 -7.456 1.00 0.00 H new ATOM 0 HA SER A 42 -9.437 7.078 -9.404 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.659 9.522 -9.405 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.897 8.668 -10.917 1.00 0.00 H new ATOM 0 HG SER A 42 -9.477 10.333 -10.590 1.00 0.00 H new ATOM 647 N LYS A 43 -6.585 6.111 -8.642 1.00 0.00 N ATOM 648 CA LYS A 43 -5.482 5.208 -8.941 1.00 0.00 C ATOM 649 C LYS A 43 -5.574 3.922 -8.126 1.00 0.00 C ATOM 650 O LYS A 43 -5.876 2.856 -8.663 1.00 0.00 O ATOM 651 CB LYS A 43 -4.152 5.906 -8.659 1.00 0.00 C ATOM 652 CG LYS A 43 -3.815 6.989 -9.671 1.00 0.00 C ATOM 653 CD LYS A 43 -2.472 6.752 -10.339 1.00 0.00 C ATOM 654 CE LYS A 43 -2.643 6.339 -11.793 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.386 6.504 -12.571 1.00 0.00 N ATOM 0 H LYS A 43 -6.694 6.335 -7.653 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.542 4.941 -9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.185 6.347 -7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.354 5.163 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.595 7.029 -10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.805 7.959 -9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.871 7.660 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.927 5.977 -9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.964 5.298 -11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.433 6.936 -12.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.362 5.809 -13.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.347 7.464 -12.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.569 6.354 -11.946 1.00 0.00 H new ATOM 669 N LEU A 44 -5.299 4.027 -6.832 1.00 0.00 N ATOM 670 CA LEU A 44 -5.333 2.869 -5.947 1.00 0.00 C ATOM 671 C LEU A 44 -6.762 2.486 -5.578 1.00 0.00 C ATOM 672 O LEU A 44 -7.662 3.327 -5.562 1.00 0.00 O ATOM 673 CB LEU A 44 -4.523 3.150 -4.682 1.00 0.00 C ATOM 674 CG LEU A 44 -3.095 3.638 -4.930 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.425 4.017 -3.619 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.289 2.573 -5.655 1.00 0.00 C ATOM 0 H LEU A 44 -5.050 4.902 -6.372 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.890 2.029 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.050 3.898 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.482 2.240 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.138 4.526 -5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.410 4.362 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.992 4.814 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.392 3.147 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.275 2.936 -5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.254 1.668 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.759 2.350 -6.613 1.00 0.00 H new ATOM 688 N GLN A 45 -6.956 1.207 -5.278 1.00 0.00 N ATOM 689 CA GLN A 45 -8.266 0.691 -4.902 1.00 0.00 C ATOM 690 C GLN A 45 -8.121 -0.496 -3.955 1.00 0.00 C ATOM 691 O GLN A 45 -7.013 -0.845 -3.550 1.00 0.00 O ATOM 692 CB GLN A 45 -9.054 0.278 -6.148 1.00 0.00 C ATOM 693 CG GLN A 45 -10.491 0.769 -6.149 1.00 0.00 C ATOM 694 CD GLN A 45 -11.180 0.552 -7.482 1.00 0.00 C ATOM 695 OE1 GLN A 45 -11.038 1.354 -8.406 1.00 0.00 O ATOM 696 NE2 GLN A 45 -11.932 -0.538 -7.588 1.00 0.00 N ATOM 0 H GLN A 45 -6.217 0.504 -5.288 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.812 1.482 -4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.547 0.663 -7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.050 -0.809 -6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.048 0.252 -5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.508 1.831 -5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.021 -1.175 -6.796 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.420 -0.738 -8.461 1.00 0.00 H new ATOM 705 N ARG A 46 -9.244 -1.112 -3.603 1.00 0.00 N ATOM 706 CA ARG A 46 -9.234 -2.258 -2.702 1.00 0.00 C ATOM 707 C ARG A 46 -8.894 -3.543 -3.453 1.00 0.00 C ATOM 708 O ARG A 46 -9.771 -4.186 -4.030 1.00 0.00 O ATOM 709 CB ARG A 46 -10.591 -2.403 -2.011 1.00 0.00 C ATOM 710 CG ARG A 46 -10.775 -1.469 -0.827 1.00 0.00 C ATOM 711 CD ARG A 46 -12.167 -1.593 -0.230 1.00 0.00 C ATOM 712 NE ARG A 46 -12.412 -0.587 0.802 1.00 0.00 N ATOM 713 CZ ARG A 46 -13.567 -0.456 1.450 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.583 -1.264 1.179 1.00 0.00 N ATOM 715 NH2 ARG A 46 -13.707 0.485 2.373 1.00 0.00 N ATOM 0 H ARG A 46 -10.171 -0.837 -3.927 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.466 -2.086 -1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.381 -2.214 -2.738 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.708 -3.432 -1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.030 -1.695 -0.065 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.604 -0.440 -1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.911 -1.490 -1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.291 -2.588 0.197 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.653 0.052 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.482 -1.991 0.471 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.466 -1.159 1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.929 1.109 2.587 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.593 0.585 2.869 1.00 0.00 H new ATOM 729 N GLY A 47 -7.617 -3.912 -3.438 1.00 0.00 N ATOM 730 CA GLY A 47 -7.186 -5.120 -4.118 1.00 0.00 C ATOM 731 C GLY A 47 -5.943 -4.908 -4.962 1.00 0.00 C ATOM 732 O GLY A 47 -5.864 -5.396 -6.090 1.00 0.00 O ATOM 0 H GLY A 47 -6.873 -3.396 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.990 -5.897 -3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.994 -5.482 -4.754 1.00 0.00 H new ATOM 736 N ASP A 48 -4.973 -4.183 -4.416 1.00 0.00 N ATOM 737 CA ASP A 48 -3.729 -3.914 -5.132 1.00 0.00 C ATOM 738 C ASP A 48 -2.530 -4.028 -4.199 1.00 0.00 C ATOM 739 O ASP A 48 -2.614 -3.696 -3.018 1.00 0.00 O ATOM 740 CB ASP A 48 -3.769 -2.523 -5.770 1.00 0.00 C ATOM 741 CG ASP A 48 -4.076 -2.577 -7.253 1.00 0.00 C ATOM 742 OD1 ASP A 48 -3.137 -2.799 -8.047 1.00 0.00 O ATOM 743 OD2 ASP A 48 -5.256 -2.400 -7.621 1.00 0.00 O ATOM 0 H ASP A 48 -5.022 -3.772 -3.484 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.624 -4.660 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.523 -1.917 -5.267 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.810 -2.029 -5.618 1.00 0.00 H new ATOM 748 N ILE A 49 -1.417 -4.508 -4.738 1.00 0.00 N ATOM 749 CA ILE A 49 -0.200 -4.678 -3.953 1.00 0.00 C ATOM 750 C ILE A 49 0.920 -3.787 -4.474 1.00 0.00 C ATOM 751 O ILE A 49 1.355 -3.925 -5.615 1.00 0.00 O ATOM 752 CB ILE A 49 0.282 -6.143 -3.974 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.910 -7.105 -3.917 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.242 -6.402 -2.825 1.00 0.00 C ATOM 755 CD1 ILE A 49 -1.037 -7.985 -5.141 1.00 0.00 C ATOM 0 H ILE A 49 -1.331 -4.787 -5.715 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.444 -4.394 -2.929 1.00 0.00 H new ATOM 0 HB ILE A 49 0.813 -6.319 -4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.814 -7.737 -3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.827 -6.528 -3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.573 -7.440 -2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.106 -5.743 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.737 -6.208 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.902 -8.639 -5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.164 -7.361 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.136 -8.589 -5.250 1.00 0.00 H new ATOM 767 N ILE A 50 1.386 -2.872 -3.630 1.00 0.00 N ATOM 768 CA ILE A 50 2.456 -1.966 -4.017 1.00 0.00 C ATOM 769 C ILE A 50 3.794 -2.688 -4.040 1.00 0.00 C ATOM 770 O ILE A 50 4.418 -2.903 -3.001 1.00 0.00 O ATOM 771 CB ILE A 50 2.557 -0.761 -3.065 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.179 -0.139 -2.840 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.525 0.275 -3.623 1.00 0.00 C ATOM 774 CD1 ILE A 50 1.008 0.456 -1.464 1.00 0.00 C ATOM 0 H ILE A 50 1.040 -2.740 -2.679 1.00 0.00 H new ATOM 0 HA ILE A 50 2.215 -1.604 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 50 2.937 -1.109 -2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.013 0.637 -3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.415 -0.900 -2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.586 1.121 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.512 -0.173 -3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.170 0.619 -4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.008 0.880 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.143 -0.322 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.750 1.240 -1.312 1.00 0.00 H new ATOM 786 N THR A 51 4.228 -3.058 -5.237 1.00 0.00 N ATOM 787 CA THR A 51 5.496 -3.757 -5.409 1.00 0.00 C ATOM 788 C THR A 51 6.586 -2.793 -5.870 1.00 0.00 C ATOM 789 O THR A 51 7.553 -3.191 -6.519 1.00 0.00 O ATOM 790 CB THR A 51 5.339 -4.900 -6.415 1.00 0.00 C ATOM 791 OG1 THR A 51 5.320 -4.402 -7.741 1.00 0.00 O ATOM 792 CG2 THR A 51 4.078 -5.711 -6.209 1.00 0.00 C ATOM 0 H THR A 51 3.721 -2.886 -6.105 1.00 0.00 H new ATOM 0 HA THR A 51 5.791 -4.174 -4.446 1.00 0.00 H new ATOM 0 HB THR A 51 6.199 -5.550 -6.250 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.221 -5.148 -8.369 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.029 -6.504 -6.955 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.087 -6.151 -5.212 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.208 -5.063 -6.311 1.00 0.00 H new ATOM 800 N LYS A 52 6.416 -1.522 -5.522 1.00 0.00 N ATOM 801 CA LYS A 52 7.373 -0.483 -5.884 1.00 0.00 C ATOM 802 C LYS A 52 7.004 0.826 -5.194 1.00 0.00 C ATOM 803 O LYS A 52 5.834 1.204 -5.148 1.00 0.00 O ATOM 804 CB LYS A 52 7.412 -0.288 -7.401 1.00 0.00 C ATOM 805 CG LYS A 52 8.689 -0.802 -8.047 1.00 0.00 C ATOM 806 CD LYS A 52 9.240 0.188 -9.061 1.00 0.00 C ATOM 807 CE LYS A 52 10.749 0.068 -9.195 1.00 0.00 C ATOM 808 NZ LYS A 52 11.281 0.925 -10.289 1.00 0.00 N ATOM 0 H LYS A 52 5.617 -1.185 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 52 8.364 -0.793 -5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.558 -0.798 -7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.302 0.773 -7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.437 -0.990 -7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.491 -1.755 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.773 0.015 -10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.980 1.202 -8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.220 0.349 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.014 -0.972 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.321 0.906 -10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.944 0.567 -11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.950 1.902 -10.157 1.00 0.00 H new ATOM 822 N PHE A 53 8.003 1.508 -4.650 1.00 0.00 N ATOM 823 CA PHE A 53 7.768 2.766 -3.953 1.00 0.00 C ATOM 824 C PHE A 53 8.894 3.761 -4.215 1.00 0.00 C ATOM 825 O PHE A 53 10.017 3.582 -3.741 1.00 0.00 O ATOM 826 CB PHE A 53 7.628 2.504 -2.453 1.00 0.00 C ATOM 827 CG PHE A 53 7.358 3.735 -1.643 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.402 4.494 -1.144 1.00 0.00 C ATOM 829 CD2 PHE A 53 6.057 4.129 -1.373 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.157 5.625 -0.393 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.804 5.258 -0.622 1.00 0.00 C ATOM 832 CZ PHE A 53 6.855 6.007 -0.132 1.00 0.00 C ATOM 0 H PHE A 53 8.979 1.214 -4.677 1.00 0.00 H new ATOM 0 HA PHE A 53 6.844 3.203 -4.331 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.819 1.791 -2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.542 2.035 -2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.421 4.197 -1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.232 3.546 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.980 6.210 -0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.786 5.555 -0.418 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.660 6.892 0.456 1.00 0.00 H new ATOM 842 N ASN A 54 8.584 4.809 -4.973 1.00 0.00 N ATOM 843 CA ASN A 54 9.565 5.838 -5.302 1.00 0.00 C ATOM 844 C ASN A 54 10.811 5.221 -5.936 1.00 0.00 C ATOM 845 O ASN A 54 11.937 5.516 -5.537 1.00 0.00 O ATOM 846 CB ASN A 54 9.943 6.628 -4.045 1.00 0.00 C ATOM 847 CG ASN A 54 9.742 8.121 -4.219 1.00 0.00 C ATOM 848 OD1 ASN A 54 10.538 8.794 -4.875 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.674 8.647 -3.628 1.00 0.00 N ATOM 0 H ASN A 54 7.659 4.968 -5.372 1.00 0.00 H new ATOM 0 HA ASN A 54 9.118 6.519 -6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.342 6.279 -3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.986 6.431 -3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.487 9.647 -3.708 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.041 8.051 -3.094 1.00 0.00 H new ATOM 856 N GLY A 55 10.599 4.360 -6.926 1.00 0.00 N ATOM 857 CA GLY A 55 11.710 3.715 -7.598 1.00 0.00 C ATOM 858 C GLY A 55 12.401 2.691 -6.719 1.00 0.00 C ATOM 859 O GLY A 55 13.548 2.318 -6.972 1.00 0.00 O ATOM 0 H GLY A 55 9.677 4.098 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.350 3.228 -8.504 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.432 4.471 -7.908 1.00 0.00 H new ATOM 863 N ASP A 56 11.704 2.233 -5.684 1.00 0.00 N ATOM 864 CA ASP A 56 12.255 1.245 -4.766 1.00 0.00 C ATOM 865 C ASP A 56 11.340 0.030 -4.669 1.00 0.00 C ATOM 866 O ASP A 56 10.279 0.086 -4.047 1.00 0.00 O ATOM 867 CB ASP A 56 12.454 1.859 -3.378 1.00 0.00 C ATOM 868 CG ASP A 56 13.374 1.029 -2.504 1.00 0.00 C ATOM 869 OD1 ASP A 56 13.552 -0.172 -2.803 1.00 0.00 O ATOM 870 OD2 ASP A 56 13.912 1.577 -1.521 1.00 0.00 O ATOM 0 H ASP A 56 10.755 2.532 -5.461 1.00 0.00 H new ATOM 0 HA ASP A 56 13.222 0.924 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.866 2.863 -3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.486 1.962 -2.887 1.00 0.00 H new ATOM 875 N ALA A 57 11.755 -1.068 -5.294 1.00 0.00 N ATOM 876 CA ALA A 57 10.971 -2.298 -5.283 1.00 0.00 C ATOM 877 C ALA A 57 10.674 -2.753 -3.859 1.00 0.00 C ATOM 878 O ALA A 57 11.587 -2.992 -3.068 1.00 0.00 O ATOM 879 CB ALA A 57 11.700 -3.393 -6.046 1.00 0.00 C ATOM 0 H ALA A 57 12.630 -1.131 -5.814 1.00 0.00 H new ATOM 0 HA ALA A 57 10.020 -2.095 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.104 -4.306 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.853 -3.077 -7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.666 -3.582 -5.577 1.00 0.00 H new ATOM 885 N LEU A 58 9.390 -2.879 -3.540 1.00 0.00 N ATOM 886 CA LEU A 58 8.969 -3.314 -2.212 1.00 0.00 C ATOM 887 C LEU A 58 8.771 -4.829 -2.170 1.00 0.00 C ATOM 888 O LEU A 58 8.132 -5.354 -1.260 1.00 0.00 O ATOM 889 CB LEU A 58 7.673 -2.606 -1.806 1.00 0.00 C ATOM 890 CG LEU A 58 7.672 -1.087 -2.001 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.246 -0.550 -2.047 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.464 -0.405 -0.894 1.00 0.00 C ATOM 0 H LEU A 58 8.622 -2.686 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 58 9.756 -3.050 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.850 -3.031 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.473 -2.822 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 58 8.152 -0.865 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.269 0.531 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.710 -1.012 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.738 -0.785 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.452 0.674 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.014 -0.637 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.494 -0.762 -0.910 1.00 0.00 H new ATOM 904 N GLU A 59 9.321 -5.528 -3.162 1.00 0.00 N ATOM 905 CA GLU A 59 9.201 -6.980 -3.236 1.00 0.00 C ATOM 906 C GLU A 59 10.026 -7.655 -2.145 1.00 0.00 C ATOM 907 O GLU A 59 11.131 -7.217 -1.827 1.00 0.00 O ATOM 908 CB GLU A 59 9.648 -7.479 -4.611 1.00 0.00 C ATOM 909 CG GLU A 59 9.272 -8.927 -4.884 1.00 0.00 C ATOM 910 CD GLU A 59 10.425 -9.731 -5.454 1.00 0.00 C ATOM 911 OE1 GLU A 59 11.467 -9.838 -4.774 1.00 0.00 O ATOM 912 OE2 GLU A 59 10.284 -10.254 -6.580 1.00 0.00 O ATOM 0 H GLU A 59 9.854 -5.110 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 59 8.153 -7.239 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.205 -6.846 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.730 -7.371 -4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.933 -9.391 -3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.434 -8.956 -5.581 1.00 0.00 H new ATOM 919 N GLY A 60 9.479 -8.726 -1.577 1.00 0.00 N ATOM 920 CA GLY A 60 10.176 -9.451 -0.529 1.00 0.00 C ATOM 921 C GLY A 60 10.563 -8.563 0.638 1.00 0.00 C ATOM 922 O GLY A 60 11.561 -8.815 1.312 1.00 0.00 O ATOM 0 H GLY A 60 8.565 -9.105 -1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.542 -10.261 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.073 -9.909 -0.945 1.00 0.00 H new ATOM 926 N LEU A 61 9.771 -7.522 0.877 1.00 0.00 N ATOM 927 CA LEU A 61 10.038 -6.595 1.971 1.00 0.00 C ATOM 928 C LEU A 61 8.925 -6.652 3.017 1.00 0.00 C ATOM 929 O LEU A 61 7.743 -6.661 2.672 1.00 0.00 O ATOM 930 CB LEU A 61 10.176 -5.169 1.434 1.00 0.00 C ATOM 931 CG LEU A 61 11.592 -4.764 1.025 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.562 -3.514 0.159 1.00 0.00 C ATOM 933 CD2 LEU A 61 12.458 -4.542 2.256 1.00 0.00 C ATOM 0 H LEU A 61 8.940 -7.300 0.328 1.00 0.00 H new ATOM 0 HA LEU A 61 10.974 -6.890 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.519 -5.057 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.822 -4.475 2.196 1.00 0.00 H new ATOM 0 HG LEU A 61 12.027 -5.574 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.579 -3.242 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.977 -3.708 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.108 -2.695 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.463 -4.254 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.026 -3.750 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.507 -5.463 2.837 1.00 0.00 H new ATOM 945 N PRO A 62 9.286 -6.689 4.314 1.00 0.00 N ATOM 946 CA PRO A 62 8.303 -6.740 5.403 1.00 0.00 C ATOM 947 C PRO A 62 7.294 -5.600 5.321 1.00 0.00 C ATOM 948 O PRO A 62 7.240 -4.878 4.326 1.00 0.00 O ATOM 949 CB PRO A 62 9.157 -6.608 6.667 1.00 0.00 C ATOM 950 CG PRO A 62 10.513 -7.071 6.263 1.00 0.00 C ATOM 951 CD PRO A 62 10.670 -6.679 4.820 1.00 0.00 C ATOM 0 HA PRO A 62 7.709 -7.653 5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.181 -5.578 7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.758 -7.216 7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.283 -6.608 6.879 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.611 -8.149 6.388 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.129 -5.695 4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.302 -7.383 4.278 1.00 0.00 H new ATOM 959 N PHE A 63 6.499 -5.440 6.375 1.00 0.00 N ATOM 960 CA PHE A 63 5.498 -4.381 6.416 1.00 0.00 C ATOM 961 C PHE A 63 6.007 -3.177 7.200 1.00 0.00 C ATOM 962 O PHE A 63 5.577 -2.049 6.969 1.00 0.00 O ATOM 963 CB PHE A 63 4.198 -4.894 7.038 1.00 0.00 C ATOM 964 CG PHE A 63 3.056 -3.928 6.907 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.374 -3.801 5.707 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.663 -3.146 7.981 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.323 -2.913 5.581 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.612 -2.257 7.861 1.00 0.00 C ATOM 969 CZ PHE A 63 0.941 -2.140 6.660 1.00 0.00 C ATOM 0 H PHE A 63 6.529 -6.028 7.208 1.00 0.00 H new ATOM 0 HA PHE A 63 5.302 -4.069 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.924 -5.837 6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.367 -5.105 8.094 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.668 -4.404 4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.184 -3.232 8.923 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.801 -2.823 4.640 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.315 -1.654 8.706 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.119 -1.446 6.564 1.00 0.00 H new ATOM 979 N GLN A 64 6.928 -3.421 8.129 1.00 0.00 N ATOM 980 CA GLN A 64 7.491 -2.350 8.940 1.00 0.00 C ATOM 981 C GLN A 64 8.148 -1.296 8.055 1.00 0.00 C ATOM 982 O GLN A 64 7.930 -0.096 8.228 1.00 0.00 O ATOM 983 CB GLN A 64 8.512 -2.912 9.930 1.00 0.00 C ATOM 984 CG GLN A 64 9.630 -3.702 9.272 1.00 0.00 C ATOM 985 CD GLN A 64 10.554 -4.356 10.280 1.00 0.00 C ATOM 986 OE1 GLN A 64 11.772 -4.170 10.236 1.00 0.00 O ATOM 987 NE2 GLN A 64 9.981 -5.126 11.196 1.00 0.00 N ATOM 0 H GLN A 64 7.298 -4.349 8.337 1.00 0.00 H new ATOM 0 HA GLN A 64 6.680 -1.881 9.498 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.946 -2.089 10.497 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.997 -3.554 10.644 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.198 -4.469 8.630 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.210 -3.038 8.630 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.969 -5.252 11.195 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.553 -5.592 11.901 1.00 0.00 H new ATOM 996 N VAL A 65 8.950 -1.753 7.098 1.00 0.00 N ATOM 997 CA VAL A 65 9.636 -0.853 6.180 1.00 0.00 C ATOM 998 C VAL A 65 8.639 -0.133 5.277 1.00 0.00 C ATOM 999 O VAL A 65 8.690 1.087 5.130 1.00 0.00 O ATOM 1000 CB VAL A 65 10.653 -1.608 5.303 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.504 -0.627 4.511 1.00 0.00 C ATOM 1002 CG2 VAL A 65 11.525 -2.516 6.159 1.00 0.00 C ATOM 0 H VAL A 65 9.140 -2.742 6.939 1.00 0.00 H new ATOM 0 HA VAL A 65 10.169 -0.123 6.790 1.00 0.00 H new ATOM 0 HB VAL A 65 10.106 -2.232 4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.217 -1.177 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.862 -0.024 3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 65 12.044 0.024 5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.237 -3.041 5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.066 -1.916 6.891 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.897 -3.241 6.676 1.00 0.00 H new ATOM 1012 N CYS A 66 7.731 -0.899 4.678 1.00 0.00 N ATOM 1013 CA CYS A 66 6.720 -0.331 3.792 1.00 0.00 C ATOM 1014 C CYS A 66 5.894 0.723 4.520 1.00 0.00 C ATOM 1015 O CYS A 66 5.775 1.858 4.062 1.00 0.00 O ATOM 1016 CB CYS A 66 5.805 -1.435 3.257 1.00 0.00 C ATOM 1017 SG CYS A 66 6.289 -2.069 1.634 1.00 0.00 S ATOM 0 H CYS A 66 7.675 -1.911 4.790 1.00 0.00 H new ATOM 0 HA CYS A 66 7.229 0.146 2.955 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.793 -2.260 3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.787 -1.051 3.197 1.00 0.00 H new ATOM 0 HG CYS A 66 5.333 -2.808 1.154 1.00 0.00 H new ATOM 1023 N TYR A 67 5.331 0.343 5.660 1.00 0.00 N ATOM 1024 CA TYR A 67 4.524 1.262 6.451 1.00 0.00 C ATOM 1025 C TYR A 67 5.337 2.497 6.840 1.00 0.00 C ATOM 1026 O TYR A 67 4.791 3.591 6.987 1.00 0.00 O ATOM 1027 CB TYR A 67 4.006 0.571 7.713 1.00 0.00 C ATOM 1028 CG TYR A 67 2.926 1.357 8.418 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.675 1.527 7.838 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.158 1.937 9.660 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.686 2.253 8.474 1.00 0.00 C ATOM 1032 CE2 TYR A 67 2.173 2.662 10.302 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.939 2.818 9.707 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.043 3.541 10.343 1.00 0.00 O ATOM 0 H TYR A 67 5.418 -0.593 6.056 1.00 0.00 H new ATOM 0 HA TYR A 67 3.676 1.574 5.842 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.617 -0.412 7.448 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.837 0.411 8.400 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.472 1.084 6.874 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.123 1.819 10.130 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.280 2.378 8.008 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.369 3.105 11.267 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.498 2.970 10.996 1.00 0.00 H new ATOM 1044 N ALA A 68 6.644 2.307 7.013 1.00 0.00 N ATOM 1045 CA ALA A 68 7.536 3.397 7.401 1.00 0.00 C ATOM 1046 C ALA A 68 7.762 4.394 6.270 1.00 0.00 C ATOM 1047 O ALA A 68 7.606 5.600 6.460 1.00 0.00 O ATOM 1048 CB ALA A 68 8.868 2.832 7.866 1.00 0.00 C ATOM 0 H ALA A 68 7.109 1.407 6.890 1.00 0.00 H new ATOM 0 HA ALA A 68 7.054 3.936 8.217 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.529 3.649 8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.706 2.177 8.722 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.325 2.264 7.056 1.00 0.00 H new ATOM 1054 N LEU A 69 8.130 3.897 5.092 1.00 0.00 N ATOM 1055 CA LEU A 69 8.373 4.772 3.950 1.00 0.00 C ATOM 1056 C LEU A 69 7.067 5.388 3.471 1.00 0.00 C ATOM 1057 O LEU A 69 7.041 6.526 3.002 1.00 0.00 O ATOM 1058 CB LEU A 69 9.052 4.013 2.807 1.00 0.00 C ATOM 1059 CG LEU A 69 8.453 2.643 2.491 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.790 2.648 1.122 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.525 1.564 2.562 1.00 0.00 C ATOM 0 H LEU A 69 8.265 2.904 4.905 1.00 0.00 H new ATOM 0 HA LEU A 69 9.044 5.569 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.008 4.627 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.106 3.883 3.054 1.00 0.00 H new ATOM 0 HG LEU A 69 7.690 2.422 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.370 1.663 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.994 3.392 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.530 2.892 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.081 0.595 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.310 1.783 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.952 1.541 3.565 1.00 0.00 H new ATOM 1073 N PHE A 70 5.982 4.635 3.608 1.00 0.00 N ATOM 1074 CA PHE A 70 4.669 5.118 3.205 1.00 0.00 C ATOM 1075 C PHE A 70 4.178 6.176 4.186 1.00 0.00 C ATOM 1076 O PHE A 70 3.425 7.076 3.817 1.00 0.00 O ATOM 1077 CB PHE A 70 3.671 3.961 3.124 1.00 0.00 C ATOM 1078 CG PHE A 70 3.529 3.394 1.740 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.750 4.038 0.791 1.00 0.00 C ATOM 1080 CD2 PHE A 70 4.177 2.221 1.387 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.622 3.522 -0.485 1.00 0.00 C ATOM 1082 CE2 PHE A 70 4.050 1.701 0.113 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.271 2.352 -0.823 1.00 0.00 C ATOM 0 H PHE A 70 5.986 3.691 3.994 1.00 0.00 H new ATOM 0 HA PHE A 70 4.752 5.567 2.215 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.988 3.169 3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.696 4.306 3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.238 4.952 1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.788 1.708 2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.015 4.034 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.560 0.786 -0.150 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.170 1.946 -1.819 1.00 0.00 H new ATOM 1093 N LYS A 71 4.620 6.065 5.438 1.00 0.00 N ATOM 1094 CA LYS A 71 4.239 7.018 6.473 1.00 0.00 C ATOM 1095 C LYS A 71 5.159 8.234 6.447 1.00 0.00 C ATOM 1096 O LYS A 71 4.729 9.360 6.696 1.00 0.00 O ATOM 1097 CB LYS A 71 4.295 6.360 7.853 1.00 0.00 C ATOM 1098 CG LYS A 71 2.982 5.725 8.278 1.00 0.00 C ATOM 1099 CD LYS A 71 2.758 5.862 9.775 1.00 0.00 C ATOM 1100 CE LYS A 71 2.230 7.239 10.137 1.00 0.00 C ATOM 1101 NZ LYS A 71 1.746 7.298 11.545 1.00 0.00 N ATOM 0 H LYS A 71 5.243 5.323 5.758 1.00 0.00 H new ATOM 0 HA LYS A 71 3.218 7.343 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.074 5.597 7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.583 7.108 8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.158 6.195 7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.981 4.670 8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.052 5.102 10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.695 5.681 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.017 7.979 9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.416 7.504 9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.394 8.255 11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.977 6.610 11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.529 7.070 12.191 1.00 0.00 H new ATOM 1115 N GLY A 72 6.433 7.993 6.147 1.00 0.00 N ATOM 1116 CA GLY A 72 7.404 9.071 6.097 1.00 0.00 C ATOM 1117 C GLY A 72 7.332 9.870 4.810 1.00 0.00 C ATOM 1118 O GLY A 72 7.760 11.023 4.768 1.00 0.00 O ATOM 0 H GLY A 72 6.810 7.069 5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.242 9.739 6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.406 8.656 6.206 1.00 0.00 H new ATOM 1122 N ALA A 73 6.789 9.258 3.758 1.00 0.00 N ATOM 1123 CA ALA A 73 6.659 9.919 2.460 1.00 0.00 C ATOM 1124 C ALA A 73 6.178 11.361 2.610 1.00 0.00 C ATOM 1125 O ALA A 73 5.175 11.625 3.271 1.00 0.00 O ATOM 1126 CB ALA A 73 5.709 9.133 1.569 1.00 0.00 C ATOM 0 H ALA A 73 6.431 8.303 3.780 1.00 0.00 H new ATOM 0 HA ALA A 73 7.645 9.948 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.618 9.632 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.099 8.126 1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.729 9.077 2.042 1.00 0.00 H new ATOM 1132 N ASN A 74 6.901 12.291 1.997 1.00 0.00 N ATOM 1133 CA ASN A 74 6.544 13.703 2.067 1.00 0.00 C ATOM 1134 C ASN A 74 7.094 14.464 0.867 1.00 0.00 C ATOM 1135 O ASN A 74 8.284 14.766 0.802 1.00 0.00 O ATOM 1136 CB ASN A 74 7.069 14.325 3.364 1.00 0.00 C ATOM 1137 CG ASN A 74 8.574 14.217 3.487 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.299 15.192 3.281 1.00 0.00 O ATOM 1139 ND2 ASN A 74 9.054 13.028 3.827 1.00 0.00 N ATOM 0 H ASN A 74 7.737 12.093 1.447 1.00 0.00 H new ATOM 0 HA ASN A 74 5.456 13.775 2.054 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.778 15.375 3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.601 13.832 4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.060 12.894 3.927 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.417 12.248 3.988 1.00 0.00 H new ATOM 1146 N GLY A 75 6.216 14.768 -0.082 1.00 0.00 N ATOM 1147 CA GLY A 75 6.629 15.488 -1.272 1.00 0.00 C ATOM 1148 C GLY A 75 6.667 14.598 -2.497 1.00 0.00 C ATOM 1149 O GLY A 75 7.708 14.034 -2.832 1.00 0.00 O ATOM 0 H GLY A 75 5.225 14.529 -0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.944 16.317 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.616 15.920 -1.108 1.00 0.00 H new ATOM 1153 N LYS A 76 5.525 14.468 -3.164 1.00 0.00 N ATOM 1154 CA LYS A 76 5.422 13.637 -4.353 1.00 0.00 C ATOM 1155 C LYS A 76 5.767 12.188 -4.027 1.00 0.00 C ATOM 1156 O LYS A 76 6.900 11.869 -3.668 1.00 0.00 O ATOM 1157 CB LYS A 76 6.340 14.170 -5.449 1.00 0.00 C ATOM 1158 CG LYS A 76 5.716 14.125 -6.835 1.00 0.00 C ATOM 1159 CD LYS A 76 5.229 15.496 -7.276 1.00 0.00 C ATOM 1160 CE LYS A 76 3.725 15.635 -7.105 1.00 0.00 C ATOM 1161 NZ LYS A 76 3.262 17.025 -7.366 1.00 0.00 N ATOM 0 H LYS A 76 4.656 14.931 -2.898 1.00 0.00 H new ATOM 0 HA LYS A 76 4.393 13.671 -4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.613 15.199 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.262 13.589 -5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.447 13.750 -7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.881 13.424 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.735 16.267 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.494 15.659 -8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.218 14.950 -7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.447 15.344 -6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.231 17.077 -7.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.726 17.676 -6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.505 17.294 -8.341 1.00 0.00 H new ATOM 1175 N VAL A 77 4.772 11.316 -4.140 1.00 0.00 N ATOM 1176 CA VAL A 77 4.951 9.898 -3.844 1.00 0.00 C ATOM 1177 C VAL A 77 4.453 9.028 -4.991 1.00 0.00 C ATOM 1178 O VAL A 77 3.249 8.894 -5.199 1.00 0.00 O ATOM 1179 CB VAL A 77 4.194 9.500 -2.563 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.119 9.544 -1.362 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.988 10.392 -2.350 1.00 0.00 C ATOM 0 H VAL A 77 3.829 11.567 -4.436 1.00 0.00 H new ATOM 0 HA VAL A 77 6.020 9.737 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 77 3.837 8.477 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.566 9.260 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.946 8.850 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.511 10.554 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.470 10.092 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.314 11.428 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.312 10.299 -3.200 1.00 0.00 H new ATOM 1191 N SER A 78 5.383 8.424 -5.722 1.00 0.00 N ATOM 1192 CA SER A 78 5.028 7.558 -6.839 1.00 0.00 C ATOM 1193 C SER A 78 5.166 6.090 -6.442 1.00 0.00 C ATOM 1194 O SER A 78 6.276 5.587 -6.266 1.00 0.00 O ATOM 1195 CB SER A 78 5.910 7.865 -8.048 1.00 0.00 C ATOM 1196 OG SER A 78 5.309 7.415 -9.249 1.00 0.00 O ATOM 0 H SER A 78 6.386 8.518 -5.562 1.00 0.00 H new ATOM 0 HA SER A 78 3.989 7.748 -7.107 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.088 8.939 -8.108 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.882 7.387 -7.923 1.00 0.00 H new ATOM 0 HG SER A 78 5.894 7.626 -10.006 1.00 0.00 H new ATOM 1202 N MET A 79 4.032 5.414 -6.287 1.00 0.00 N ATOM 1203 CA MET A 79 4.026 4.010 -5.892 1.00 0.00 C ATOM 1204 C MET A 79 3.450 3.121 -6.992 1.00 0.00 C ATOM 1205 O MET A 79 2.327 3.333 -7.447 1.00 0.00 O ATOM 1206 CB MET A 79 3.214 3.818 -4.606 1.00 0.00 C ATOM 1207 CG MET A 79 3.148 5.055 -3.725 1.00 0.00 C ATOM 1208 SD MET A 79 1.674 6.047 -4.027 1.00 0.00 S ATOM 1209 CE MET A 79 0.772 5.780 -2.504 1.00 0.00 C ATOM 0 H MET A 79 3.105 5.816 -6.429 1.00 0.00 H new ATOM 0 HA MET A 79 5.061 3.717 -5.717 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.200 3.518 -4.870 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.649 2.999 -4.033 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.169 4.752 -2.678 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.034 5.666 -3.897 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.106 6.426 -2.483 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.458 4.738 -2.445 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.414 6.014 -1.655 1.00 0.00 H new ATOM 1219 N GLU A 80 4.216 2.111 -7.400 1.00 0.00 N ATOM 1220 CA GLU A 80 3.759 1.184 -8.431 1.00 0.00 C ATOM 1221 C GLU A 80 2.950 0.057 -7.804 1.00 0.00 C ATOM 1222 O GLU A 80 3.486 -0.772 -7.069 1.00 0.00 O ATOM 1223 CB GLU A 80 4.942 0.607 -9.217 1.00 0.00 C ATOM 1224 CG GLU A 80 4.866 0.877 -10.712 1.00 0.00 C ATOM 1225 CD GLU A 80 6.159 1.430 -11.279 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.176 1.433 -10.554 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.156 1.863 -12.451 1.00 0.00 O ATOM 0 H GLU A 80 5.148 1.915 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 80 3.125 1.736 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.868 1.029 -8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.987 -0.469 -9.052 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.614 -0.048 -11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.058 1.582 -10.908 1.00 0.00 H new ATOM 1234 N VAL A 81 1.655 0.036 -8.091 1.00 0.00 N ATOM 1235 CA VAL A 81 0.771 -0.987 -7.546 1.00 0.00 C ATOM 1236 C VAL A 81 0.474 -2.073 -8.568 1.00 0.00 C ATOM 1237 O VAL A 81 0.313 -1.799 -9.755 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.562 -0.393 -7.054 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.429 0.100 -5.625 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -1.026 0.724 -7.971 1.00 0.00 C ATOM 0 H VAL A 81 1.194 0.714 -8.697 1.00 0.00 H new ATOM 0 HA VAL A 81 1.301 -1.422 -6.699 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.316 -1.180 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.380 0.516 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.152 -0.732 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.341 0.870 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.969 1.128 -7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.276 1.514 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.167 0.333 -8.979 1.00 0.00 H new ATOM 1250 N THR A 82 0.397 -3.308 -8.088 1.00 0.00 N ATOM 1251 CA THR A 82 0.111 -4.448 -8.946 1.00 0.00 C ATOM 1252 C THR A 82 -1.293 -4.978 -8.675 1.00 0.00 C ATOM 1253 O THR A 82 -1.634 -5.303 -7.537 1.00 0.00 O ATOM 1254 CB THR A 82 1.143 -5.554 -8.717 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.449 -5.087 -9.009 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.899 -6.789 -9.557 1.00 0.00 C ATOM 0 H THR A 82 0.529 -3.545 -7.105 1.00 0.00 H new ATOM 0 HA THR A 82 0.167 -4.123 -9.985 1.00 0.00 H new ATOM 0 HB THR A 82 1.044 -5.827 -7.666 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.724 -4.438 -8.328 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.668 -7.532 -9.344 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.081 -7.203 -9.320 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.934 -6.523 -10.614 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.107 -5.057 -9.723 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.473 -5.542 -9.589 1.00 0.00 C ATOM 1266 C ARG A 83 -3.621 -6.940 -10.185 1.00 0.00 C ATOM 1267 O ARG A 83 -3.919 -7.092 -11.371 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.448 -4.580 -10.269 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.849 -4.613 -9.679 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.677 -3.425 -10.141 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.089 -3.767 -10.294 1.00 0.00 N ATOM 1272 CZ ARG A 83 -8.970 -3.011 -10.947 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -8.587 -1.872 -11.510 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -10.235 -3.395 -11.038 1.00 0.00 N ATOM 0 H ARG A 83 -1.844 -4.792 -10.672 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.707 -5.596 -8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.056 -3.566 -10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.504 -4.823 -11.330 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.345 -5.539 -9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.787 -4.613 -8.591 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.577 -2.612 -9.422 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.288 -3.060 -11.091 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.420 -4.637 -9.876 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.614 -1.572 -11.444 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.265 -1.296 -12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.535 -4.270 -10.608 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.909 -2.816 -11.538 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.413 -7.983 -9.364 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.526 -9.374 -9.809 1.00 0.00 C ATOM 1290 C PRO A 84 -4.975 -9.831 -9.933 1.00 0.00 C ATOM 1291 O PRO A 84 -5.904 -9.034 -9.793 1.00 0.00 O ATOM 1292 CB PRO A 84 -2.822 -10.147 -8.697 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.031 -9.323 -7.477 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.052 -7.890 -7.936 1.00 0.00 C ATOM 0 HA PRO A 84 -3.097 -9.523 -10.800 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.245 -11.145 -8.579 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -1.761 -10.274 -8.913 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.967 -9.588 -6.984 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.232 -9.488 -6.754 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.780 -7.302 -7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.082 -7.412 -7.799 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.870 1.610 9.605 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.785 0.742 9.165 1.00 0.00 C ATOM 1574 C GLN A 103 -6.416 1.327 9.479 1.00 0.00 C ATOM 1575 O GLN A 103 -6.304 2.417 10.037 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.903 0.522 7.658 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.143 -0.251 7.262 1.00 0.00 C ATOM 1578 CD GLN A 103 -8.869 -1.727 7.057 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -7.820 -2.111 6.541 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -9.817 -2.566 7.463 1.00 0.00 N ATOM 0 HA GLN A 103 -7.873 -0.201 9.705 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.910 1.489 7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.021 -0.013 7.306 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.904 -0.130 8.033 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.551 0.170 6.343 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.672 -2.204 7.886 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.690 -3.572 7.352 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.373 0.599 9.086 1.00 0.00 N ATOM 1590 CA TYR A 104 -4.007 1.054 9.290 1.00 0.00 C ATOM 1591 C TYR A 104 -3.622 1.966 8.138 1.00 0.00 C ATOM 1592 O TYR A 104 -3.231 1.502 7.068 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.044 -0.134 9.362 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.797 0.134 10.176 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.872 0.785 11.402 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.544 -0.268 9.725 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.740 1.027 12.155 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.594 -0.027 10.474 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.491 0.618 11.687 1.00 0.00 C ATOM 1600 OH TYR A 104 1.620 0.858 12.435 1.00 0.00 O ATOM 0 H TYR A 104 -5.452 -0.308 8.625 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.944 1.595 10.234 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.568 -0.988 9.790 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.752 -0.414 8.350 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.834 1.108 11.773 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.458 -0.776 8.776 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.818 1.534 13.105 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.560 -0.343 10.109 1.00 0.00 H new ATOM 0 HH TYR A 104 2.331 1.200 11.854 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.761 3.264 8.354 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.456 4.239 7.322 1.00 0.00 C ATOM 1612 C TRP A 105 -2.107 4.905 7.570 1.00 0.00 C ATOM 1613 O TRP A 105 -1.816 5.347 8.681 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.561 5.293 7.264 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.945 4.709 7.271 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.725 4.446 8.363 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.710 4.301 6.135 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.931 3.933 7.969 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.943 3.828 6.608 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.481 4.293 4.763 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.931 3.357 5.758 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.475 3.816 3.928 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.681 3.358 4.432 1.00 0.00 C ATOM 0 H TRP A 105 -4.083 3.666 9.235 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.401 3.718 6.366 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.455 5.967 8.114 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.433 5.894 6.363 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.432 4.618 9.388 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.696 3.672 8.591 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.546 4.652 4.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.874 3.000 6.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.307 3.800 2.861 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.436 2.995 3.751 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.289 4.972 6.526 1.00 0.00 N ATOM 1635 CA VAL A 106 0.028 5.585 6.627 1.00 0.00 C ATOM 1636 C VAL A 106 -0.066 7.105 6.566 1.00 0.00 C ATOM 1637 O VAL A 106 -0.830 7.618 5.721 1.00 0.00 O ATOM 1638 CB VAL A 106 0.964 5.095 5.507 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.382 3.654 5.751 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.293 5.239 4.149 1.00 0.00 C ATOM 1641 OXT VAL A 106 0.623 7.774 7.367 1.00 0.00 O ATOM 0 H VAL A 106 -1.516 4.609 5.600 1.00 0.00 H new ATOM 0 HA VAL A 106 0.441 5.288 7.591 1.00 0.00 H new ATOM 0 HB VAL A 106 1.861 5.715 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.043 3.326 4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.906 3.584 6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.497 3.018 5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.969 4.888 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.621 4.646 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.049 6.287 3.973 1.00 0.00 H new