USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1078 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 71 TYR OH : rot -130:sc= 0.857 USER MOD Set 1.2: A 85 HIS : no HE2:sc= -0.168! C(o=3!,f=-1.1!) USER MOD Set 1.3: A 87 HIS : +bothHN:sc= 2.28 K(o=3,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0194 K(o=-0.019,f=-4.6!) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.011 F(o=-1.1,f=-0.011) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.5!) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 1.46 (180deg=1.11) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc=-0.000735 K(o=-0.00073,f=-1.1) USER MOD Single : A 52 GLN : amide:sc= -0.204 K(o=-0.2,f=-5.6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.25) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HE2:sc= -3.69! C(o=-3.7!,f=-12!) USER MOD Single : A 95 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.6!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 101 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 103 HIS : no HE2:sc= -1.3! C(o=-1.3!,f=-1.9!) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 CYS SG : rot 160:sc= -2.81! USER MOD Single : A 110 SER OG : rot 94:sc= 1.2 USER MOD Single : A 116 GLN : amide:sc=-0.00766 K(o=-0.0077,f=-2.3!) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -161:sc= -0.0948 (180deg=-0.594) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.289 -12.086 1.340 1.00 0.00 N ATOM 2 CA GLY A 1 -23.061 -12.122 0.074 1.00 0.00 C ATOM 3 C GLY A 1 -24.104 -13.220 0.083 1.00 0.00 C ATOM 4 O GLY A 1 -23.807 -14.354 -0.292 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.585 -11.322 1.296 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.936 -11.915 2.136 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.804 -12.996 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.548 -11.159 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.380 -12.274 -0.763 1.00 0.00 H new ATOM 10 N PRO A 2 -25.342 -12.903 0.501 1.00 0.00 N ATOM 11 CA PRO A 2 -26.422 -13.890 0.661 1.00 0.00 C ATOM 12 C PRO A 2 -26.642 -14.757 -0.580 1.00 0.00 C ATOM 13 O PRO A 2 -26.468 -15.974 -0.532 1.00 0.00 O ATOM 14 CB PRO A 2 -27.668 -13.035 0.946 1.00 0.00 C ATOM 15 CG PRO A 2 -27.273 -11.625 0.647 1.00 0.00 C ATOM 16 CD PRO A 2 -25.792 -11.549 0.854 1.00 0.00 C ATOM 0 HA PRO A 2 -26.185 -14.601 1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -28.506 -13.346 0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -27.985 -13.140 1.983 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -27.537 -11.356 -0.376 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -27.793 -10.928 1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -25.333 -10.792 0.218 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -25.540 -11.295 1.884 1.00 0.00 H new ATOM 24 N LEU A 3 -26.996 -14.130 -1.693 1.00 0.00 N ATOM 25 CA LEU A 3 -27.302 -14.860 -2.919 1.00 0.00 C ATOM 26 C LEU A 3 -26.026 -15.115 -3.730 1.00 0.00 C ATOM 27 O LEU A 3 -26.047 -15.168 -4.959 1.00 0.00 O ATOM 28 CB LEU A 3 -28.321 -14.065 -3.744 1.00 0.00 C ATOM 29 CG LEU A 3 -28.954 -14.812 -4.919 1.00 0.00 C ATOM 30 CD1 LEU A 3 -29.702 -16.042 -4.431 1.00 0.00 C ATOM 31 CD2 LEU A 3 -29.887 -13.889 -5.683 1.00 0.00 C ATOM 0 H LEU A 3 -27.079 -13.117 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 3 -27.731 -15.828 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -29.117 -13.731 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -27.831 -13.171 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 3 -28.161 -15.141 -5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -30.145 -16.560 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -29.009 -16.711 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -30.489 -15.739 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -30.332 -14.431 -6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -30.675 -13.536 -5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -29.324 -13.036 -6.063 1.00 0.00 H new ATOM 43 N GLY A 4 -24.914 -15.286 -3.025 1.00 0.00 N ATOM 44 CA GLY A 4 -23.648 -15.535 -3.683 1.00 0.00 C ATOM 45 C GLY A 4 -23.048 -14.268 -4.248 1.00 0.00 C ATOM 46 O GLY A 4 -22.038 -14.306 -4.949 1.00 0.00 O ATOM 0 H GLY A 4 -24.868 -15.256 -2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.952 -15.981 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.792 -16.258 -4.486 1.00 0.00 H new ATOM 50 N SER A 5 -23.683 -13.147 -3.948 1.00 0.00 N ATOM 51 CA SER A 5 -23.227 -11.855 -4.422 1.00 0.00 C ATOM 52 C SER A 5 -21.974 -11.415 -3.671 1.00 0.00 C ATOM 53 O SER A 5 -22.055 -10.846 -2.582 1.00 0.00 O ATOM 54 CB SER A 5 -24.338 -10.820 -4.246 1.00 0.00 C ATOM 55 OG SER A 5 -25.575 -11.329 -4.719 1.00 0.00 O ATOM 0 H SER A 5 -24.524 -13.109 -3.372 1.00 0.00 H new ATOM 0 HA SER A 5 -22.978 -11.939 -5.480 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.428 -10.551 -3.194 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.083 -9.909 -4.787 1.00 0.00 H new ATOM 0 HG SER A 5 -26.275 -10.654 -4.597 1.00 0.00 H new ATOM 61 N MET A 6 -20.819 -11.719 -4.236 1.00 0.00 N ATOM 62 CA MET A 6 -19.563 -11.281 -3.661 1.00 0.00 C ATOM 63 C MET A 6 -19.192 -9.930 -4.239 1.00 0.00 C ATOM 64 O MET A 6 -19.003 -9.797 -5.450 1.00 0.00 O ATOM 65 CB MET A 6 -18.440 -12.282 -3.942 1.00 0.00 C ATOM 66 CG MET A 6 -18.736 -13.698 -3.478 1.00 0.00 C ATOM 67 SD MET A 6 -17.366 -14.826 -3.807 1.00 0.00 S ATOM 68 CE MET A 6 -18.050 -16.373 -3.219 1.00 0.00 C ATOM 0 H MET A 6 -20.726 -12.267 -5.091 1.00 0.00 H new ATOM 0 HA MET A 6 -19.689 -11.208 -2.581 1.00 0.00 H new ATOM 0 HB2 MET A 6 -18.242 -12.297 -5.014 1.00 0.00 H new ATOM 0 HB3 MET A 6 -17.529 -11.935 -3.454 1.00 0.00 H new ATOM 0 HG2 MET A 6 -18.949 -13.691 -2.409 1.00 0.00 H new ATOM 0 HG3 MET A 6 -19.633 -14.063 -3.979 1.00 0.00 H new ATOM 0 HE1 MET A 6 -17.319 -17.170 -3.356 1.00 0.00 H new ATOM 0 HE2 MET A 6 -18.296 -16.283 -2.161 1.00 0.00 H new ATOM 0 HE3 MET A 6 -18.953 -16.609 -3.782 1.00 0.00 H new ATOM 78 N LYS A 7 -19.098 -8.930 -3.381 1.00 0.00 N ATOM 79 CA LYS A 7 -18.732 -7.598 -3.818 1.00 0.00 C ATOM 80 C LYS A 7 -17.237 -7.405 -3.642 1.00 0.00 C ATOM 81 O LYS A 7 -16.658 -7.875 -2.658 1.00 0.00 O ATOM 82 CB LYS A 7 -19.500 -6.538 -3.029 1.00 0.00 C ATOM 83 CG LYS A 7 -21.005 -6.631 -3.202 1.00 0.00 C ATOM 84 CD LYS A 7 -21.720 -5.515 -2.464 1.00 0.00 C ATOM 85 CE LYS A 7 -23.224 -5.585 -2.669 1.00 0.00 C ATOM 86 NZ LYS A 7 -23.919 -4.438 -2.032 1.00 0.00 N ATOM 0 H LYS A 7 -19.270 -9.016 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 7 -18.991 -7.487 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -19.257 -6.636 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -19.166 -5.549 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.254 -6.585 -4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.356 -7.595 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.494 -5.578 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -21.349 -4.551 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -23.446 -5.598 -3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -23.605 -6.518 -2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -24.943 -4.520 -2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -23.728 -4.440 -1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -23.573 -3.549 -2.447 1.00 0.00 H new ATOM 100 N MET A 8 -16.610 -6.729 -4.587 1.00 0.00 N ATOM 101 CA MET A 8 -15.173 -6.542 -4.542 1.00 0.00 C ATOM 102 C MET A 8 -14.812 -5.172 -4.005 1.00 0.00 C ATOM 103 O MET A 8 -15.347 -4.149 -4.436 1.00 0.00 O ATOM 104 CB MET A 8 -14.539 -6.757 -5.918 1.00 0.00 C ATOM 105 CG MET A 8 -14.390 -8.222 -6.293 1.00 0.00 C ATOM 106 SD MET A 8 -13.560 -8.453 -7.876 1.00 0.00 S ATOM 107 CE MET A 8 -13.480 -10.240 -7.954 1.00 0.00 C ATOM 0 H MET A 8 -17.071 -6.303 -5.391 1.00 0.00 H new ATOM 0 HA MET A 8 -14.773 -7.293 -3.861 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.147 -6.257 -6.672 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.557 -6.284 -5.935 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.828 -8.737 -5.514 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.376 -8.685 -6.333 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.991 -10.542 -8.880 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.911 -10.616 -7.104 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.489 -10.651 -7.926 1.00 0.00 H new ATOM 117 N ILE A 9 -13.906 -5.176 -3.053 1.00 0.00 N ATOM 118 CA ILE A 9 -13.387 -3.963 -2.466 1.00 0.00 C ATOM 119 C ILE A 9 -11.979 -3.753 -2.979 1.00 0.00 C ATOM 120 O ILE A 9 -11.070 -4.497 -2.637 1.00 0.00 O ATOM 121 CB ILE A 9 -13.360 -4.053 -0.929 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.773 -4.281 -0.388 1.00 0.00 C ATOM 123 CG2 ILE A 9 -12.731 -2.813 -0.303 1.00 0.00 C ATOM 124 CD1 ILE A 9 -14.864 -4.197 1.119 1.00 0.00 C ATOM 0 H ILE A 9 -13.506 -6.029 -2.662 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.033 -3.130 -2.743 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.737 -4.904 -0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.445 -3.543 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.123 -5.261 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.730 -2.914 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.706 -2.706 -0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.307 -1.931 -0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.894 -4.369 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.219 -4.954 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.545 -3.208 1.448 1.00 0.00 H new ATOM 136 N GLU A 10 -11.795 -2.762 -3.808 1.00 0.00 N ATOM 137 CA GLU A 10 -10.502 -2.553 -4.424 1.00 0.00 C ATOM 138 C GLU A 10 -9.724 -1.526 -3.640 1.00 0.00 C ATOM 139 O GLU A 10 -10.208 -0.423 -3.398 1.00 0.00 O ATOM 140 CB GLU A 10 -10.648 -2.127 -5.883 1.00 0.00 C ATOM 141 CG GLU A 10 -11.269 -3.203 -6.754 1.00 0.00 C ATOM 142 CD GLU A 10 -10.471 -3.455 -8.012 1.00 0.00 C ATOM 143 OE1 GLU A 10 -9.421 -4.133 -7.931 1.00 0.00 O ATOM 144 OE2 GLU A 10 -10.883 -2.977 -9.085 1.00 0.00 O ATOM 0 H GLU A 10 -12.513 -2.089 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.955 -3.496 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.261 -1.227 -5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.667 -1.867 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.346 -4.129 -6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.283 -2.909 -7.023 1.00 0.00 H new ATOM 151 N VAL A 11 -8.530 -1.899 -3.227 1.00 0.00 N ATOM 152 CA VAL A 11 -7.691 -1.030 -2.435 1.00 0.00 C ATOM 153 C VAL A 11 -6.343 -0.879 -3.111 1.00 0.00 C ATOM 154 O VAL A 11 -5.716 -1.863 -3.494 1.00 0.00 O ATOM 155 CB VAL A 11 -7.493 -1.577 -1.002 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.551 -0.689 -0.202 1.00 0.00 C ATOM 157 CG2 VAL A 11 -8.830 -1.709 -0.290 1.00 0.00 C ATOM 0 H VAL A 11 -8.117 -2.809 -3.431 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.185 -0.062 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.041 -2.566 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.430 -1.098 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.581 -0.649 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.967 0.317 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.670 -2.095 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.309 -0.732 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.471 -2.395 -0.844 1.00 0.00 H new ATOM 167 N VAL A 12 -5.917 0.346 -3.294 1.00 0.00 N ATOM 168 CA VAL A 12 -4.611 0.607 -3.848 1.00 0.00 C ATOM 169 C VAL A 12 -3.641 0.946 -2.733 1.00 0.00 C ATOM 170 O VAL A 12 -3.957 1.732 -1.838 1.00 0.00 O ATOM 171 CB VAL A 12 -4.638 1.739 -4.898 1.00 0.00 C ATOM 172 CG1 VAL A 12 -5.135 1.215 -6.237 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.508 2.899 -4.425 1.00 0.00 C ATOM 0 H VAL A 12 -6.457 1.181 -3.067 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.281 -0.297 -4.360 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.620 2.106 -5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.147 2.027 -6.964 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.471 0.424 -6.587 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.143 0.817 -6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.511 3.684 -5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.527 2.547 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.109 3.296 -3.492 1.00 0.00 H new ATOM 183 N ALA A 13 -2.473 0.332 -2.770 1.00 0.00 N ATOM 184 CA ALA A 13 -1.463 0.551 -1.759 1.00 0.00 C ATOM 185 C ALA A 13 -0.269 1.247 -2.380 1.00 0.00 C ATOM 186 O ALA A 13 0.200 0.858 -3.452 1.00 0.00 O ATOM 187 CB ALA A 13 -1.045 -0.770 -1.124 1.00 0.00 C ATOM 0 H ALA A 13 -2.201 -0.328 -3.498 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.875 1.185 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.284 -0.585 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.912 -1.241 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.640 -1.430 -1.891 1.00 0.00 H new ATOM 193 N ALA A 14 0.211 2.277 -1.716 1.00 0.00 N ATOM 194 CA ALA A 14 1.323 3.050 -2.221 1.00 0.00 C ATOM 195 C ALA A 14 2.593 2.674 -1.490 1.00 0.00 C ATOM 196 O ALA A 14 2.714 2.885 -0.282 1.00 0.00 O ATOM 197 CB ALA A 14 1.056 4.543 -2.069 1.00 0.00 C ATOM 0 H ALA A 14 -0.155 2.599 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 14 1.442 2.827 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.906 5.106 -2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.159 4.811 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.912 4.781 -1.015 1.00 0.00 H new ATOM 203 N ILE A 15 3.541 2.116 -2.216 1.00 0.00 N ATOM 204 CA ILE A 15 4.829 1.820 -1.639 1.00 0.00 C ATOM 205 C ILE A 15 5.748 2.991 -1.917 1.00 0.00 C ATOM 206 O ILE A 15 6.291 3.123 -3.015 1.00 0.00 O ATOM 207 CB ILE A 15 5.444 0.519 -2.207 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.592 -0.691 -1.803 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.883 0.347 -1.739 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.333 -2.008 -1.877 1.00 0.00 C ATOM 0 H ILE A 15 3.442 1.861 -3.199 1.00 0.00 H new ATOM 0 HA ILE A 15 4.704 1.665 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 15 5.453 0.589 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.229 -0.545 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.716 -0.740 -2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.292 -0.575 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.480 1.193 -2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.908 0.299 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.667 -2.817 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.673 -2.177 -2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.193 -1.979 -1.208 1.00 0.00 H new ATOM 222 N ILE A 16 5.899 3.852 -0.931 1.00 0.00 N ATOM 223 CA ILE A 16 6.684 5.056 -1.097 1.00 0.00 C ATOM 224 C ILE A 16 8.114 4.771 -0.683 1.00 0.00 C ATOM 225 O ILE A 16 8.416 4.658 0.502 1.00 0.00 O ATOM 226 CB ILE A 16 6.098 6.214 -0.258 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.604 6.362 -0.553 1.00 0.00 C ATOM 228 CG2 ILE A 16 6.823 7.527 -0.538 1.00 0.00 C ATOM 229 CD1 ILE A 16 3.921 7.403 0.300 1.00 0.00 C ATOM 0 H ILE A 16 5.487 3.739 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 16 6.660 5.360 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 16 6.238 5.975 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.473 6.622 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.115 5.400 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.386 8.320 0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.879 7.420 -0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.723 7.780 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.865 7.453 0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.020 7.134 1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.384 8.375 0.129 1.00 0.00 H new ATOM 241 N GLU A 17 8.980 4.624 -1.666 1.00 0.00 N ATOM 242 CA GLU A 17 10.346 4.224 -1.407 1.00 0.00 C ATOM 243 C GLU A 17 11.284 5.390 -1.655 1.00 0.00 C ATOM 244 O GLU A 17 11.450 5.839 -2.788 1.00 0.00 O ATOM 245 CB GLU A 17 10.724 3.029 -2.278 1.00 0.00 C ATOM 246 CG GLU A 17 12.144 2.537 -2.071 1.00 0.00 C ATOM 247 CD GLU A 17 12.509 1.411 -3.017 1.00 0.00 C ATOM 248 OE1 GLU A 17 12.277 1.559 -4.236 1.00 0.00 O ATOM 249 OE2 GLU A 17 13.035 0.382 -2.552 1.00 0.00 O ATOM 0 H GLU A 17 8.761 4.776 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 17 10.435 3.924 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.034 2.211 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.594 3.301 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.837 3.366 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.261 2.196 -1.042 1.00 0.00 H new ATOM 256 N ARG A 18 11.879 5.882 -0.588 1.00 0.00 N ATOM 257 CA ARG A 18 12.788 7.001 -0.675 1.00 0.00 C ATOM 258 C ARG A 18 14.129 6.609 -0.082 1.00 0.00 C ATOM 259 O ARG A 18 14.199 6.183 1.071 1.00 0.00 O ATOM 260 CB ARG A 18 12.211 8.206 0.061 1.00 0.00 C ATOM 261 CG ARG A 18 12.628 9.540 -0.531 1.00 0.00 C ATOM 262 CD ARG A 18 12.142 9.683 -1.966 1.00 0.00 C ATOM 263 NE ARG A 18 12.065 11.081 -2.383 1.00 0.00 N ATOM 264 CZ ARG A 18 11.644 11.484 -3.583 1.00 0.00 C ATOM 265 NH1 ARG A 18 11.347 10.598 -4.529 1.00 0.00 N ATOM 266 NH2 ARG A 18 11.528 12.778 -3.842 1.00 0.00 N ATOM 0 H ARG A 18 11.746 5.519 0.356 1.00 0.00 H new ATOM 0 HA ARG A 18 12.927 7.273 -1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.123 8.139 0.052 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.525 8.168 1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.224 10.351 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.714 9.630 -0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.815 9.143 -2.632 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.159 9.221 -2.063 1.00 0.00 H new ATOM 0 HE ARG A 18 12.352 11.795 -1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.440 9.600 -4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.026 10.916 -5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.760 13.465 -3.124 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.206 13.088 -4.759 1.00 0.00 H new ATOM 280 N ASP A 19 15.173 6.716 -0.895 1.00 0.00 N ATOM 281 CA ASP A 19 16.538 6.368 -0.488 1.00 0.00 C ATOM 282 C ASP A 19 16.686 4.869 -0.278 1.00 0.00 C ATOM 283 O ASP A 19 17.670 4.412 0.303 1.00 0.00 O ATOM 284 CB ASP A 19 16.959 7.100 0.794 1.00 0.00 C ATOM 285 CG ASP A 19 16.966 8.606 0.628 1.00 0.00 C ATOM 286 OD1 ASP A 19 17.787 9.119 -0.162 1.00 0.00 O ATOM 287 OD2 ASP A 19 16.150 9.285 1.286 1.00 0.00 O ATOM 0 H ASP A 19 15.102 7.047 -1.857 1.00 0.00 H new ATOM 0 HA ASP A 19 17.192 6.685 -1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.279 6.830 1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.954 6.766 1.089 1.00 0.00 H new ATOM 292 N GLY A 20 15.720 4.097 -0.755 1.00 0.00 N ATOM 293 CA GLY A 20 15.780 2.662 -0.587 1.00 0.00 C ATOM 294 C GLY A 20 14.952 2.185 0.589 1.00 0.00 C ATOM 295 O GLY A 20 14.941 0.994 0.898 1.00 0.00 O ATOM 0 H GLY A 20 14.899 4.439 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.427 2.177 -1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.817 2.358 -0.445 1.00 0.00 H new ATOM 299 N LYS A 21 14.259 3.111 1.245 1.00 0.00 N ATOM 300 CA LYS A 21 13.412 2.765 2.379 1.00 0.00 C ATOM 301 C LYS A 21 11.946 3.002 2.033 1.00 0.00 C ATOM 302 O LYS A 21 11.630 3.888 1.243 1.00 0.00 O ATOM 303 CB LYS A 21 13.795 3.588 3.611 1.00 0.00 C ATOM 304 CG LYS A 21 15.271 3.511 3.967 1.00 0.00 C ATOM 305 CD LYS A 21 15.459 3.110 5.418 1.00 0.00 C ATOM 306 CE LYS A 21 16.922 2.881 5.754 1.00 0.00 C ATOM 307 NZ LYS A 21 17.671 4.158 5.891 1.00 0.00 N ATOM 0 H LYS A 21 14.268 4.104 1.011 1.00 0.00 H new ATOM 0 HA LYS A 21 13.559 1.709 2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.527 4.630 3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.207 3.245 4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.768 2.789 3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.743 4.477 3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.055 3.888 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.893 2.201 5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.996 2.316 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.382 2.273 4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.665 3.955 6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.623 4.686 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.250 4.728 6.652 1.00 0.00 H new ATOM 321 N ILE A 22 11.060 2.223 2.633 1.00 0.00 N ATOM 322 CA ILE A 22 9.635 2.310 2.344 1.00 0.00 C ATOM 323 C ILE A 22 8.914 3.028 3.479 1.00 0.00 C ATOM 324 O ILE A 22 9.334 2.949 4.635 1.00 0.00 O ATOM 325 CB ILE A 22 9.020 0.905 2.156 1.00 0.00 C ATOM 326 CG1 ILE A 22 9.924 0.047 1.272 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.627 1.001 1.545 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.466 -1.387 1.169 1.00 0.00 C ATOM 0 H ILE A 22 11.304 1.518 3.328 1.00 0.00 H new ATOM 0 HA ILE A 22 9.514 2.872 1.418 1.00 0.00 H new ATOM 0 HB ILE A 22 8.934 0.436 3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.963 0.482 0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.938 0.070 1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.214 -0.000 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.980 1.582 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.689 1.490 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.150 -1.942 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.453 -1.837 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.463 -1.419 0.743 1.00 0.00 H new ATOM 340 N LEU A 23 7.848 3.739 3.146 1.00 0.00 N ATOM 341 CA LEU A 23 7.081 4.473 4.138 1.00 0.00 C ATOM 342 C LEU A 23 5.974 3.605 4.741 1.00 0.00 C ATOM 343 O LEU A 23 5.085 3.122 4.034 1.00 0.00 O ATOM 344 CB LEU A 23 6.472 5.731 3.520 1.00 0.00 C ATOM 345 CG LEU A 23 5.754 6.648 4.509 1.00 0.00 C ATOM 346 CD1 LEU A 23 6.735 7.218 5.522 1.00 0.00 C ATOM 347 CD2 LEU A 23 5.034 7.761 3.771 1.00 0.00 C ATOM 0 H LEU A 23 7.494 3.823 2.193 1.00 0.00 H new ATOM 0 HA LEU A 23 7.765 4.760 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.264 6.298 3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.766 5.433 2.745 1.00 0.00 H new ATOM 0 HG LEU A 23 5.013 6.060 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.204 7.868 6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.203 6.403 6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.502 7.792 5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.527 8.406 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.756 8.348 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.300 7.330 3.089 1.00 0.00 H new ATOM 359 N LEU A 24 6.049 3.415 6.047 1.00 0.00 N ATOM 360 CA LEU A 24 5.044 2.663 6.783 1.00 0.00 C ATOM 361 C LEU A 24 4.319 3.577 7.763 1.00 0.00 C ATOM 362 O LEU A 24 4.902 4.532 8.285 1.00 0.00 O ATOM 363 CB LEU A 24 5.668 1.471 7.527 1.00 0.00 C ATOM 364 CG LEU A 24 6.154 0.318 6.638 1.00 0.00 C ATOM 365 CD1 LEU A 24 7.437 0.678 5.912 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.350 -0.941 7.460 1.00 0.00 C ATOM 0 H LEU A 24 6.806 3.776 6.627 1.00 0.00 H new ATOM 0 HA LEU A 24 4.326 2.268 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.511 1.833 8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.933 1.079 8.231 1.00 0.00 H new ATOM 0 HG LEU A 24 5.386 0.133 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.752 -0.161 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.266 1.551 5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.216 0.904 6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.695 -1.748 6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.092 -0.756 8.237 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.404 -1.225 7.922 1.00 0.00 H new ATOM 378 N ALA A 25 3.047 3.296 7.998 1.00 0.00 N ATOM 379 CA ALA A 25 2.244 4.112 8.891 1.00 0.00 C ATOM 380 C ALA A 25 1.702 3.291 10.054 1.00 0.00 C ATOM 381 O ALA A 25 0.932 2.351 9.860 1.00 0.00 O ATOM 382 CB ALA A 25 1.107 4.766 8.126 1.00 0.00 C ATOM 0 H ALA A 25 2.550 2.509 7.582 1.00 0.00 H new ATOM 0 HA ALA A 25 2.885 4.891 9.304 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.513 5.375 8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.515 5.398 7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.476 3.996 7.684 1.00 0.00 H new ATOM 388 N GLN A 26 2.120 3.647 11.262 1.00 0.00 N ATOM 389 CA GLN A 26 1.672 2.963 12.468 1.00 0.00 C ATOM 390 C GLN A 26 0.254 3.395 12.822 1.00 0.00 C ATOM 391 O GLN A 26 0.046 4.499 13.341 1.00 0.00 O ATOM 392 CB GLN A 26 2.644 3.242 13.625 1.00 0.00 C ATOM 393 CG GLN A 26 2.451 2.356 14.856 1.00 0.00 C ATOM 394 CD GLN A 26 1.303 2.792 15.743 1.00 0.00 C ATOM 395 OE1 GLN A 26 0.168 2.341 15.587 1.00 0.00 O ATOM 396 NE2 GLN A 26 1.591 3.666 16.692 1.00 0.00 N ATOM 0 H GLN A 26 2.773 4.411 11.433 1.00 0.00 H new ATOM 0 HA GLN A 26 1.661 1.888 12.287 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.664 3.117 13.262 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.538 4.284 13.926 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.279 1.330 14.531 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.371 2.355 15.441 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.544 4.017 16.790 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.861 3.989 17.326 1.00 0.00 H new ATOM 405 N ARG A 27 -0.699 2.518 12.487 1.00 0.00 N ATOM 406 CA ARG A 27 -2.130 2.683 12.774 1.00 0.00 C ATOM 407 C ARG A 27 -2.933 1.827 11.810 1.00 0.00 C ATOM 408 O ARG A 27 -2.832 2.009 10.599 1.00 0.00 O ATOM 409 CB ARG A 27 -2.594 4.141 12.639 1.00 0.00 C ATOM 410 CG ARG A 27 -4.107 4.311 12.541 1.00 0.00 C ATOM 411 CD ARG A 27 -4.818 3.859 13.804 1.00 0.00 C ATOM 412 NE ARG A 27 -6.263 3.782 13.609 1.00 0.00 N ATOM 413 CZ ARG A 27 -7.093 3.133 14.420 1.00 0.00 C ATOM 414 NH1 ARG A 27 -6.640 2.542 15.521 1.00 0.00 N ATOM 415 NH2 ARG A 27 -8.384 3.077 14.122 1.00 0.00 N ATOM 0 H ARG A 27 -0.491 1.649 11.995 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.291 2.375 13.807 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.231 4.707 13.497 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.133 4.576 11.752 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.342 5.358 12.349 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.481 3.740 11.691 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.439 2.883 14.106 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.596 4.552 14.615 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.661 4.257 12.799 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.647 2.584 15.751 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.285 2.047 16.136 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.732 3.529 13.277 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.029 2.581 14.738 1.00 0.00 H new ATOM 429 N PRO A 28 -3.729 0.887 12.331 1.00 0.00 N ATOM 430 CA PRO A 28 -4.621 0.068 11.516 1.00 0.00 C ATOM 431 C PRO A 28 -5.957 0.779 11.267 1.00 0.00 C ATOM 432 O PRO A 28 -6.003 2.009 11.169 1.00 0.00 O ATOM 433 CB PRO A 28 -4.791 -1.167 12.396 1.00 0.00 C ATOM 434 CG PRO A 28 -4.788 -0.624 13.778 1.00 0.00 C ATOM 435 CD PRO A 28 -3.831 0.541 13.762 1.00 0.00 C ATOM 0 HA PRO A 28 -4.240 -0.153 10.519 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.721 -1.690 12.174 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.980 -1.880 12.245 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.787 -0.305 14.074 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.470 -1.381 14.495 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.208 1.377 14.351 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.861 0.269 14.179 1.00 0.00 H new ATOM 443 N ALA A 29 -7.044 0.021 11.171 1.00 0.00 N ATOM 444 CA ALA A 29 -8.349 0.613 10.907 1.00 0.00 C ATOM 445 C ALA A 29 -9.441 -0.037 11.749 1.00 0.00 C ATOM 446 O ALA A 29 -10.152 0.640 12.492 1.00 0.00 O ATOM 447 CB ALA A 29 -8.678 0.495 9.429 1.00 0.00 C ATOM 0 H ALA A 29 -7.048 -0.994 11.271 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.306 1.666 11.184 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.655 0.939 9.237 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.921 1.018 8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.695 -0.557 9.143 1.00 0.00 H new ATOM 453 N GLN A 30 -9.564 -1.354 11.637 1.00 0.00 N ATOM 454 CA GLN A 30 -10.601 -2.087 12.352 1.00 0.00 C ATOM 455 C GLN A 30 -10.097 -2.511 13.723 1.00 0.00 C ATOM 456 O GLN A 30 -10.879 -2.858 14.607 1.00 0.00 O ATOM 457 CB GLN A 30 -11.044 -3.312 11.547 1.00 0.00 C ATOM 458 CG GLN A 30 -11.554 -2.969 10.153 1.00 0.00 C ATOM 459 CD GLN A 30 -12.080 -4.178 9.399 1.00 0.00 C ATOM 460 OE1 GLN A 30 -12.670 -5.119 10.120 1.00 0.00 O flip ATOM 461 NE2 GLN A 30 -11.978 -4.252 8.172 1.00 0.00 N flip ATOM 0 H GLN A 30 -8.959 -1.936 11.058 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.461 -1.430 12.483 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.205 -4.002 11.459 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.829 -3.833 12.095 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -12.347 -2.226 10.235 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.747 -2.513 9.579 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.516 -3.505 7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.356 -5.060 7.677 1.00 0.00 H new ATOM 470 N SER A 31 -8.784 -2.480 13.891 1.00 0.00 N ATOM 471 CA SER A 31 -8.168 -2.838 15.152 1.00 0.00 C ATOM 472 C SER A 31 -8.025 -1.609 16.045 1.00 0.00 C ATOM 473 O SER A 31 -7.717 -0.513 15.570 1.00 0.00 O ATOM 474 CB SER A 31 -6.797 -3.461 14.892 1.00 0.00 C ATOM 475 OG SER A 31 -6.876 -4.456 13.884 1.00 0.00 O ATOM 0 H SER A 31 -8.124 -2.208 13.163 1.00 0.00 H new ATOM 0 HA SER A 31 -8.803 -3.562 15.663 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.093 -2.686 14.589 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.412 -3.900 15.812 1.00 0.00 H new ATOM 0 HG SER A 31 -5.987 -4.840 13.733 1.00 0.00 H new ATOM 481 N ASP A 32 -8.262 -1.796 17.333 1.00 0.00 N ATOM 482 CA ASP A 32 -8.112 -0.724 18.308 1.00 0.00 C ATOM 483 C ASP A 32 -6.681 -0.703 18.826 1.00 0.00 C ATOM 484 O ASP A 32 -6.160 0.336 19.236 1.00 0.00 O ATOM 485 CB ASP A 32 -9.094 -0.933 19.464 1.00 0.00 C ATOM 486 CG ASP A 32 -8.968 0.119 20.548 1.00 0.00 C ATOM 487 OD1 ASP A 32 -9.578 1.200 20.409 1.00 0.00 O ATOM 488 OD2 ASP A 32 -8.284 -0.140 21.561 1.00 0.00 O ATOM 0 H ASP A 32 -8.561 -2.686 17.731 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.330 0.233 17.833 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.112 -0.925 19.074 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.928 -1.918 19.901 1.00 0.00 H new ATOM 493 N GLN A 33 -6.053 -1.871 18.786 1.00 0.00 N ATOM 494 CA GLN A 33 -4.667 -2.027 19.210 1.00 0.00 C ATOM 495 C GLN A 33 -3.720 -1.223 18.319 1.00 0.00 C ATOM 496 O GLN A 33 -3.796 -1.278 17.090 1.00 0.00 O ATOM 497 CB GLN A 33 -4.273 -3.506 19.191 1.00 0.00 C ATOM 498 CG GLN A 33 -4.611 -4.219 17.890 1.00 0.00 C ATOM 499 CD GLN A 33 -4.081 -5.640 17.846 1.00 0.00 C ATOM 500 OE1 GLN A 33 -3.755 -6.161 16.778 1.00 0.00 O ATOM 501 NE2 GLN A 33 -3.992 -6.278 19.001 1.00 0.00 N ATOM 0 H GLN A 33 -6.488 -2.734 18.460 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.582 -1.644 20.227 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.201 -3.588 19.371 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.774 -4.016 20.014 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.693 -4.235 17.760 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.198 -3.655 17.054 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.272 -5.812 19.864 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.643 -7.236 19.029 1.00 0.00 H new ATOM 510 N ALA A 34 -2.827 -0.480 18.952 1.00 0.00 N ATOM 511 CA ALA A 34 -1.857 0.332 18.239 1.00 0.00 C ATOM 512 C ALA A 34 -0.505 -0.363 18.197 1.00 0.00 C ATOM 513 O ALA A 34 -0.259 -1.313 18.945 1.00 0.00 O ATOM 514 CB ALA A 34 -1.727 1.695 18.900 1.00 0.00 C ATOM 0 H ALA A 34 -2.755 -0.423 19.968 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.206 0.468 17.216 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.997 2.295 18.357 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.693 2.199 18.887 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.398 1.569 19.931 1.00 0.00 H new ATOM 520 N GLY A 35 0.369 0.109 17.325 1.00 0.00 N ATOM 521 CA GLY A 35 1.698 -0.453 17.235 1.00 0.00 C ATOM 522 C GLY A 35 1.952 -1.137 15.914 1.00 0.00 C ATOM 523 O GLY A 35 3.097 -1.246 15.479 1.00 0.00 O ATOM 0 H GLY A 35 0.181 0.873 16.676 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.433 0.339 17.377 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.841 -1.169 18.044 1.00 0.00 H new ATOM 527 N LEU A 36 0.891 -1.609 15.277 1.00 0.00 N ATOM 528 CA LEU A 36 1.000 -2.269 13.986 1.00 0.00 C ATOM 529 C LEU A 36 1.232 -1.259 12.871 1.00 0.00 C ATOM 530 O LEU A 36 0.726 -0.135 12.920 1.00 0.00 O ATOM 531 CB LEU A 36 -0.291 -3.039 13.702 1.00 0.00 C ATOM 532 CG LEU A 36 -0.881 -3.789 14.900 1.00 0.00 C ATOM 533 CD1 LEU A 36 -2.272 -4.293 14.570 1.00 0.00 C ATOM 534 CD2 LEU A 36 0.017 -4.944 15.315 1.00 0.00 C ATOM 0 H LEU A 36 -0.061 -1.546 15.637 1.00 0.00 H new ATOM 0 HA LEU A 36 1.850 -2.950 14.020 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.038 -2.339 13.329 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.099 -3.756 12.904 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.948 -3.095 15.738 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.680 -4.824 15.430 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.917 -3.449 14.326 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.221 -4.969 13.717 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.425 -5.460 16.168 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.121 -5.641 14.483 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.999 -4.560 15.592 1.00 0.00 H new ATOM 546 N TRP A 37 2.001 -1.667 11.876 1.00 0.00 N ATOM 547 CA TRP A 37 2.284 -0.818 10.729 1.00 0.00 C ATOM 548 C TRP A 37 1.552 -1.346 9.503 1.00 0.00 C ATOM 549 O TRP A 37 1.351 -2.553 9.368 1.00 0.00 O ATOM 550 CB TRP A 37 3.794 -0.763 10.437 1.00 0.00 C ATOM 551 CG TRP A 37 4.627 -0.288 11.594 1.00 0.00 C ATOM 552 CD1 TRP A 37 4.181 0.067 12.829 1.00 0.00 C ATOM 553 CD2 TRP A 37 6.049 -0.116 11.621 1.00 0.00 C ATOM 554 NE1 TRP A 37 5.228 0.439 13.624 1.00 0.00 N ATOM 555 CE2 TRP A 37 6.389 0.342 12.907 1.00 0.00 C ATOM 556 CE3 TRP A 37 7.067 -0.306 10.686 1.00 0.00 C ATOM 557 CZ2 TRP A 37 7.703 0.615 13.279 1.00 0.00 C ATOM 558 CZ3 TRP A 37 8.371 -0.034 11.054 1.00 0.00 C ATOM 559 CH2 TRP A 37 8.679 0.422 12.342 1.00 0.00 C ATOM 0 H TRP A 37 2.443 -2.585 11.839 1.00 0.00 H new ATOM 0 HA TRP A 37 1.940 0.190 10.962 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.133 -1.757 10.143 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.965 -0.104 9.586 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.146 0.056 13.137 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.156 0.741 14.596 1.00 0.00 H new ATOM 0 HE3 TRP A 37 6.840 -0.660 9.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.942 0.966 14.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 9.166 -0.175 10.337 1.00 0.00 H new ATOM 0 HH2 TRP A 37 9.708 0.625 12.600 1.00 0.00 H new ATOM 570 N GLU A 38 1.152 -0.440 8.626 1.00 0.00 N ATOM 571 CA GLU A 38 0.553 -0.811 7.353 1.00 0.00 C ATOM 572 C GLU A 38 0.933 0.213 6.293 1.00 0.00 C ATOM 573 O GLU A 38 1.349 1.331 6.623 1.00 0.00 O ATOM 574 CB GLU A 38 -0.974 -0.944 7.469 1.00 0.00 C ATOM 575 CG GLU A 38 -1.668 0.262 8.082 1.00 0.00 C ATOM 576 CD GLU A 38 -3.179 0.109 8.123 1.00 0.00 C ATOM 577 OE1 GLU A 38 -3.669 -0.881 8.711 1.00 0.00 O ATOM 578 OE2 GLU A 38 -3.882 0.983 7.566 1.00 0.00 O ATOM 0 H GLU A 38 1.232 0.566 8.774 1.00 0.00 H new ATOM 0 HA GLU A 38 0.938 -1.787 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.387 -1.119 6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.205 -1.824 8.069 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.295 0.416 9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.412 1.154 7.509 1.00 0.00 H new ATOM 585 N PHE A 39 0.828 -0.172 5.033 1.00 0.00 N ATOM 586 CA PHE A 39 1.202 0.709 3.937 1.00 0.00 C ATOM 587 C PHE A 39 0.091 1.714 3.660 1.00 0.00 C ATOM 588 O PHE A 39 -1.079 1.454 3.942 1.00 0.00 O ATOM 589 CB PHE A 39 1.524 -0.096 2.674 1.00 0.00 C ATOM 590 CG PHE A 39 2.828 -0.814 2.742 1.00 0.00 C ATOM 591 CD1 PHE A 39 3.117 -1.652 3.795 1.00 0.00 C ATOM 592 CD2 PHE A 39 3.755 -0.660 1.735 1.00 0.00 C ATOM 593 CE1 PHE A 39 4.315 -2.323 3.852 1.00 0.00 C ATOM 594 CE2 PHE A 39 4.955 -1.324 1.781 1.00 0.00 C ATOM 595 CZ PHE A 39 5.241 -2.162 2.841 1.00 0.00 C ATOM 0 H PHE A 39 0.487 -1.088 4.742 1.00 0.00 H new ATOM 0 HA PHE A 39 2.099 1.254 4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.728 -0.821 2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.533 0.577 1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.394 -1.784 4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.535 -0.010 0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.531 -2.975 4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.676 -1.191 0.988 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.183 -2.688 2.879 1.00 0.00 H new ATOM 605 N ALA A 40 0.461 2.863 3.116 1.00 0.00 N ATOM 606 CA ALA A 40 -0.503 3.913 2.843 1.00 0.00 C ATOM 607 C ALA A 40 -1.235 3.646 1.539 1.00 0.00 C ATOM 608 O ALA A 40 -0.768 2.877 0.701 1.00 0.00 O ATOM 609 CB ALA A 40 0.185 5.265 2.802 1.00 0.00 C ATOM 0 H ALA A 40 1.421 3.090 2.856 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.237 3.923 3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.551 6.042 2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.660 5.461 3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.941 5.265 2.017 1.00 0.00 H new ATOM 615 N GLY A 41 -2.377 4.283 1.372 1.00 0.00 N ATOM 616 CA GLY A 41 -3.172 4.080 0.185 1.00 0.00 C ATOM 617 C GLY A 41 -4.628 4.340 0.462 1.00 0.00 C ATOM 618 O GLY A 41 -4.956 5.264 1.205 1.00 0.00 O ATOM 0 H GLY A 41 -2.771 4.943 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.825 4.743 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.043 3.059 -0.174 1.00 0.00 H new ATOM 622 N GLY A 42 -5.494 3.512 -0.095 1.00 0.00 N ATOM 623 CA GLY A 42 -6.914 3.690 0.116 1.00 0.00 C ATOM 624 C GLY A 42 -7.756 2.886 -0.846 1.00 0.00 C ATOM 625 O GLY A 42 -7.232 2.204 -1.726 1.00 0.00 O ATOM 0 H GLY A 42 -5.241 2.722 -0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.163 3.402 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.162 4.746 0.013 1.00 0.00 H new ATOM 629 N LYS A 43 -9.066 2.957 -0.667 1.00 0.00 N ATOM 630 CA LYS A 43 -9.991 2.238 -1.524 1.00 0.00 C ATOM 631 C LYS A 43 -10.160 2.962 -2.857 1.00 0.00 C ATOM 632 O LYS A 43 -10.021 4.182 -2.938 1.00 0.00 O ATOM 633 CB LYS A 43 -11.354 2.083 -0.839 1.00 0.00 C ATOM 634 CG LYS A 43 -12.360 1.301 -1.669 1.00 0.00 C ATOM 635 CD LYS A 43 -13.749 1.337 -1.063 1.00 0.00 C ATOM 636 CE LYS A 43 -14.760 0.672 -1.982 1.00 0.00 C ATOM 637 NZ LYS A 43 -14.816 1.327 -3.317 1.00 0.00 N ATOM 0 H LYS A 43 -9.512 3.507 0.067 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.577 1.247 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.216 1.582 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.760 3.072 -0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.394 1.712 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.030 0.266 -1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.742 0.831 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.043 2.370 -0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.501 -0.380 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.747 0.706 -1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.648 0.983 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.886 2.358 -3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.954 1.099 -3.852 1.00 0.00 H new ATOM 651 N VAL A 44 -10.472 2.200 -3.889 1.00 0.00 N ATOM 652 CA VAL A 44 -10.704 2.749 -5.208 1.00 0.00 C ATOM 653 C VAL A 44 -12.199 2.890 -5.435 1.00 0.00 C ATOM 654 O VAL A 44 -12.946 1.908 -5.345 1.00 0.00 O ATOM 655 CB VAL A 44 -10.110 1.843 -6.305 1.00 0.00 C ATOM 656 CG1 VAL A 44 -10.326 2.446 -7.685 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.633 1.596 -6.057 1.00 0.00 C ATOM 0 H VAL A 44 -10.571 1.186 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.216 3.722 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.630 0.886 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.898 1.788 -8.441 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.394 2.562 -7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.841 3.421 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.234 0.954 -6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.100 2.547 -6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.503 1.109 -5.090 1.00 0.00 H new ATOM 667 N GLU A 45 -12.641 4.108 -5.682 1.00 0.00 N ATOM 668 CA GLU A 45 -14.031 4.356 -6.012 1.00 0.00 C ATOM 669 C GLU A 45 -14.241 4.174 -7.511 1.00 0.00 C ATOM 670 O GLU A 45 -13.296 4.286 -8.291 1.00 0.00 O ATOM 671 CB GLU A 45 -14.434 5.765 -5.571 1.00 0.00 C ATOM 672 CG GLU A 45 -14.411 5.952 -4.061 1.00 0.00 C ATOM 673 CD GLU A 45 -15.434 5.086 -3.354 1.00 0.00 C ATOM 674 OE1 GLU A 45 -15.160 3.889 -3.121 1.00 0.00 O ATOM 675 OE2 GLU A 45 -16.521 5.599 -3.028 1.00 0.00 O ATOM 0 H GLU A 45 -12.056 4.943 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.662 3.642 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.760 6.489 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.436 5.982 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.416 5.715 -3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.600 6.999 -3.825 1.00 0.00 H new ATOM 682 N PRO A 46 -15.483 3.909 -7.946 1.00 0.00 N ATOM 683 CA PRO A 46 -15.776 3.611 -9.348 1.00 0.00 C ATOM 684 C PRO A 46 -15.724 4.858 -10.223 1.00 0.00 C ATOM 685 O PRO A 46 -16.001 4.806 -11.421 1.00 0.00 O ATOM 686 CB PRO A 46 -17.196 3.032 -9.323 1.00 0.00 C ATOM 687 CG PRO A 46 -17.627 3.008 -7.891 1.00 0.00 C ATOM 688 CD PRO A 46 -16.698 3.905 -7.125 1.00 0.00 C ATOM 0 HA PRO A 46 -15.042 2.927 -9.773 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -17.873 3.643 -9.920 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -17.212 2.029 -9.749 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -18.657 3.351 -7.795 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.591 1.992 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.110 4.908 -7.011 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.505 3.523 -6.122 1.00 0.00 H new ATOM 696 N ASP A 47 -15.364 5.977 -9.616 1.00 0.00 N ATOM 697 CA ASP A 47 -15.295 7.243 -10.329 1.00 0.00 C ATOM 698 C ASP A 47 -13.859 7.597 -10.675 1.00 0.00 C ATOM 699 O ASP A 47 -13.609 8.553 -11.410 1.00 0.00 O ATOM 700 CB ASP A 47 -15.895 8.376 -9.491 1.00 0.00 C ATOM 701 CG ASP A 47 -17.364 8.181 -9.177 1.00 0.00 C ATOM 702 OD1 ASP A 47 -18.199 8.378 -10.083 1.00 0.00 O ATOM 703 OD2 ASP A 47 -17.692 7.856 -8.016 1.00 0.00 O ATOM 0 H ASP A 47 -15.114 6.035 -8.629 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.870 7.127 -11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.340 8.460 -8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.767 9.318 -10.024 1.00 0.00 H new ATOM 708 N GLU A 48 -12.918 6.826 -10.159 1.00 0.00 N ATOM 709 CA GLU A 48 -11.516 7.198 -10.247 1.00 0.00 C ATOM 710 C GLU A 48 -10.642 6.051 -10.734 1.00 0.00 C ATOM 711 O GLU A 48 -11.086 4.908 -10.850 1.00 0.00 O ATOM 712 CB GLU A 48 -11.030 7.680 -8.884 1.00 0.00 C ATOM 713 CG GLU A 48 -11.105 6.621 -7.800 1.00 0.00 C ATOM 714 CD GLU A 48 -10.757 7.168 -6.437 1.00 0.00 C ATOM 715 OE1 GLU A 48 -9.965 8.129 -6.367 1.00 0.00 O ATOM 716 OE2 GLU A 48 -11.288 6.651 -5.432 1.00 0.00 O ATOM 0 H GLU A 48 -13.097 5.945 -9.678 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.433 8.000 -10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.999 8.021 -8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.625 8.541 -8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.111 6.202 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.426 5.805 -8.045 1.00 0.00 H new ATOM 723 N SER A 49 -9.399 6.387 -11.030 1.00 0.00 N ATOM 724 CA SER A 49 -8.420 5.421 -11.498 1.00 0.00 C ATOM 725 C SER A 49 -7.544 4.921 -10.347 1.00 0.00 C ATOM 726 O SER A 49 -7.472 5.558 -9.300 1.00 0.00 O ATOM 727 CB SER A 49 -7.562 6.060 -12.586 1.00 0.00 C ATOM 728 OG SER A 49 -8.371 6.531 -13.651 1.00 0.00 O ATOM 0 H SER A 49 -9.039 7.338 -10.953 1.00 0.00 H new ATOM 0 HA SER A 49 -8.945 4.559 -11.909 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.989 6.886 -12.165 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.843 5.333 -12.963 1.00 0.00 H new ATOM 0 HG SER A 49 -7.803 6.939 -14.338 1.00 0.00 H new ATOM 734 N GLN A 50 -6.873 3.788 -10.557 1.00 0.00 N ATOM 735 CA GLN A 50 -6.035 3.175 -9.522 1.00 0.00 C ATOM 736 C GLN A 50 -4.963 4.148 -9.033 1.00 0.00 C ATOM 737 O GLN A 50 -4.863 4.428 -7.838 1.00 0.00 O ATOM 738 CB GLN A 50 -5.358 1.911 -10.056 1.00 0.00 C ATOM 739 CG GLN A 50 -6.317 0.864 -10.595 1.00 0.00 C ATOM 740 CD GLN A 50 -5.590 -0.328 -11.186 1.00 0.00 C ATOM 741 OE1 GLN A 50 -4.463 -0.209 -11.662 1.00 0.00 O ATOM 742 NE2 GLN A 50 -6.232 -1.482 -11.176 1.00 0.00 N ATOM 0 H GLN A 50 -6.893 3.273 -11.437 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.685 2.915 -8.687 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.664 2.192 -10.848 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.765 1.466 -9.257 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.972 0.526 -9.792 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.953 1.314 -11.357 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.167 -1.542 -10.772 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.793 -2.313 -11.572 1.00 0.00 H new ATOM 751 N ARG A 51 -4.171 4.666 -9.967 1.00 0.00 N ATOM 752 CA ARG A 51 -3.095 5.596 -9.627 1.00 0.00 C ATOM 753 C ARG A 51 -3.674 6.888 -9.075 1.00 0.00 C ATOM 754 O ARG A 51 -3.083 7.531 -8.213 1.00 0.00 O ATOM 755 CB ARG A 51 -2.236 5.916 -10.853 1.00 0.00 C ATOM 756 CG ARG A 51 -1.767 4.691 -11.620 1.00 0.00 C ATOM 757 CD ARG A 51 -0.867 5.078 -12.784 1.00 0.00 C ATOM 758 NE ARG A 51 -0.612 3.951 -13.679 1.00 0.00 N ATOM 759 CZ ARG A 51 0.537 3.754 -14.323 1.00 0.00 C ATOM 760 NH1 ARG A 51 1.567 4.568 -14.115 1.00 0.00 N ATOM 761 NH2 ARG A 51 0.662 2.735 -15.165 1.00 0.00 N ATOM 0 H ARG A 51 -4.252 4.459 -10.963 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.469 5.119 -8.872 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.807 6.556 -11.526 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.364 6.487 -10.533 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.229 4.023 -10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.631 4.140 -11.993 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.330 5.889 -13.346 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.080 5.457 -12.399 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.361 3.273 -13.819 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.478 5.346 -13.461 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.446 4.415 -14.609 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.123 2.102 -15.319 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.543 2.585 -15.657 1.00 0.00 H new ATOM 775 N GLN A 52 -4.855 7.240 -9.565 1.00 0.00 N ATOM 776 CA GLN A 52 -5.510 8.482 -9.189 1.00 0.00 C ATOM 777 C GLN A 52 -5.985 8.413 -7.740 1.00 0.00 C ATOM 778 O GLN A 52 -5.862 9.383 -6.989 1.00 0.00 O ATOM 779 CB GLN A 52 -6.679 8.743 -10.143 1.00 0.00 C ATOM 780 CG GLN A 52 -7.557 9.921 -9.763 1.00 0.00 C ATOM 781 CD GLN A 52 -8.583 10.234 -10.830 1.00 0.00 C ATOM 782 OE1 GLN A 52 -9.679 9.685 -10.829 1.00 0.00 O ATOM 783 NE2 GLN A 52 -8.235 11.120 -11.748 1.00 0.00 N ATOM 0 H GLN A 52 -5.382 6.675 -10.231 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.803 9.308 -9.266 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.282 8.911 -11.144 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.298 7.847 -10.191 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.066 9.705 -8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.932 10.798 -9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.313 11.555 -11.714 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.889 11.369 -12.490 1.00 0.00 H new ATOM 792 N ALA A 53 -6.504 7.254 -7.353 1.00 0.00 N ATOM 793 CA ALA A 53 -6.929 7.023 -5.980 1.00 0.00 C ATOM 794 C ALA A 53 -5.755 7.177 -5.021 1.00 0.00 C ATOM 795 O ALA A 53 -5.876 7.811 -3.976 1.00 0.00 O ATOM 796 CB ALA A 53 -7.550 5.642 -5.842 1.00 0.00 C ATOM 0 H ALA A 53 -6.641 6.457 -7.975 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.681 7.769 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.862 5.485 -4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.416 5.565 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.817 4.884 -6.118 1.00 0.00 H new ATOM 802 N LEU A 54 -4.608 6.616 -5.393 1.00 0.00 N ATOM 803 CA LEU A 54 -3.407 6.722 -4.573 1.00 0.00 C ATOM 804 C LEU A 54 -2.965 8.167 -4.434 1.00 0.00 C ATOM 805 O LEU A 54 -2.671 8.634 -3.336 1.00 0.00 O ATOM 806 CB LEU A 54 -2.269 5.900 -5.177 1.00 0.00 C ATOM 807 CG LEU A 54 -2.377 4.397 -4.962 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.222 3.676 -5.635 1.00 0.00 C ATOM 809 CD2 LEU A 54 -2.410 4.085 -3.476 1.00 0.00 C ATOM 0 H LEU A 54 -4.486 6.085 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.649 6.332 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.228 6.097 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.326 6.246 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.305 4.045 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.317 2.603 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.239 3.881 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.280 4.026 -5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.487 3.007 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.496 4.449 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.271 4.575 -3.020 1.00 0.00 H new ATOM 821 N VAL A 55 -2.935 8.872 -5.552 1.00 0.00 N ATOM 822 CA VAL A 55 -2.478 10.252 -5.568 1.00 0.00 C ATOM 823 C VAL A 55 -3.330 11.131 -4.652 1.00 0.00 C ATOM 824 O VAL A 55 -2.799 11.954 -3.902 1.00 0.00 O ATOM 825 CB VAL A 55 -2.472 10.815 -7.008 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.223 12.315 -7.002 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.418 10.102 -7.846 1.00 0.00 C ATOM 0 H VAL A 55 -3.222 8.511 -6.462 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.456 10.264 -5.190 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.452 10.637 -7.451 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.223 12.688 -8.026 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.010 12.812 -6.435 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.257 12.522 -6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.423 10.507 -8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.435 10.253 -7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.641 9.036 -7.881 1.00 0.00 H new ATOM 837 N ARG A 56 -4.642 10.938 -4.682 1.00 0.00 N ATOM 838 CA ARG A 56 -5.524 11.738 -3.846 1.00 0.00 C ATOM 839 C ARG A 56 -5.481 11.273 -2.389 1.00 0.00 C ATOM 840 O ARG A 56 -5.426 12.101 -1.485 1.00 0.00 O ATOM 841 CB ARG A 56 -6.968 11.735 -4.367 1.00 0.00 C ATOM 842 CG ARG A 56 -7.637 10.375 -4.351 1.00 0.00 C ATOM 843 CD ARG A 56 -9.114 10.493 -4.023 1.00 0.00 C ATOM 844 NE ARG A 56 -9.765 9.190 -3.984 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.124 8.570 -2.866 1.00 0.00 C ATOM 846 NH1 ARG A 56 -9.917 9.146 -1.686 1.00 0.00 N ATOM 847 NH2 ARG A 56 -10.704 7.380 -2.935 1.00 0.00 N ATOM 0 H ARG A 56 -5.112 10.246 -5.266 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.157 12.763 -3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.560 12.425 -3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.974 12.117 -5.388 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.515 9.895 -5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.149 9.735 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.234 10.988 -3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.603 11.121 -4.768 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.957 8.725 -4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.481 10.067 -1.637 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.194 8.667 -0.829 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.872 6.946 -3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.982 6.898 -2.080 1.00 0.00 H new ATOM 861 N GLU A 57 -5.493 9.957 -2.161 1.00 0.00 N ATOM 862 CA GLU A 57 -5.476 9.419 -0.796 1.00 0.00 C ATOM 863 C GLU A 57 -4.247 9.894 -0.036 1.00 0.00 C ATOM 864 O GLU A 57 -4.354 10.389 1.079 1.00 0.00 O ATOM 865 CB GLU A 57 -5.533 7.886 -0.803 1.00 0.00 C ATOM 866 CG GLU A 57 -6.935 7.317 -0.986 1.00 0.00 C ATOM 867 CD GLU A 57 -7.812 7.482 0.245 1.00 0.00 C ATOM 868 OE1 GLU A 57 -8.281 8.606 0.503 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.043 6.483 0.957 1.00 0.00 O ATOM 0 H GLU A 57 -5.514 9.249 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.364 9.794 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.894 7.513 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.121 7.513 0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.412 7.809 -1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.861 6.258 -1.233 1.00 0.00 H new ATOM 876 N LEU A 58 -3.079 9.747 -0.645 1.00 0.00 N ATOM 877 CA LEU A 58 -1.849 10.234 -0.051 1.00 0.00 C ATOM 878 C LEU A 58 -1.879 11.746 0.121 1.00 0.00 C ATOM 879 O LEU A 58 -1.282 12.270 1.046 1.00 0.00 O ATOM 880 CB LEU A 58 -0.653 9.835 -0.895 1.00 0.00 C ATOM 881 CG LEU A 58 -0.171 8.392 -0.715 1.00 0.00 C ATOM 882 CD1 LEU A 58 -1.256 7.380 -1.029 1.00 0.00 C ATOM 883 CD2 LEU A 58 1.042 8.136 -1.584 1.00 0.00 C ATOM 0 H LEU A 58 -2.961 9.294 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.757 9.778 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.904 9.988 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.173 10.507 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 58 0.096 8.269 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.866 6.372 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.105 7.538 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.579 7.501 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.376 7.107 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.781 8.298 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.843 8.818 -1.300 1.00 0.00 H new ATOM 895 N ARG A 59 -2.548 12.456 -0.780 1.00 0.00 N ATOM 896 CA ARG A 59 -2.723 13.894 -0.609 1.00 0.00 C ATOM 897 C ARG A 59 -3.553 14.193 0.637 1.00 0.00 C ATOM 898 O ARG A 59 -3.283 15.149 1.365 1.00 0.00 O ATOM 899 CB ARG A 59 -3.376 14.523 -1.843 1.00 0.00 C ATOM 900 CG ARG A 59 -3.670 16.007 -1.680 1.00 0.00 C ATOM 901 CD ARG A 59 -4.231 16.615 -2.954 1.00 0.00 C ATOM 902 NE ARG A 59 -4.565 18.028 -2.781 1.00 0.00 N ATOM 903 CZ ARG A 59 -4.898 18.847 -3.779 1.00 0.00 C ATOM 904 NH1 ARG A 59 -4.950 18.403 -5.029 1.00 0.00 N ATOM 905 NH2 ARG A 59 -5.195 20.114 -3.522 1.00 0.00 N ATOM 0 H ARG A 59 -2.972 12.068 -1.623 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.734 14.335 -0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.721 14.382 -2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.306 13.998 -2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.381 16.149 -0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.756 16.530 -1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.503 16.510 -3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.122 16.065 -3.257 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.542 18.412 -1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.734 17.427 -5.233 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.206 19.038 -5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.168 20.460 -2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.450 20.743 -4.284 1.00 0.00 H new ATOM 919 N GLU A 60 -4.552 13.363 0.890 1.00 0.00 N ATOM 920 CA GLU A 60 -5.428 13.563 2.031 1.00 0.00 C ATOM 921 C GLU A 60 -4.780 13.049 3.314 1.00 0.00 C ATOM 922 O GLU A 60 -4.778 13.739 4.335 1.00 0.00 O ATOM 923 CB GLU A 60 -6.776 12.870 1.796 1.00 0.00 C ATOM 924 CG GLU A 60 -7.438 13.256 0.480 1.00 0.00 C ATOM 925 CD GLU A 60 -8.867 12.754 0.362 1.00 0.00 C ATOM 926 OE1 GLU A 60 -9.761 13.327 1.024 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.111 11.787 -0.391 1.00 0.00 O ATOM 0 H GLU A 60 -4.776 12.546 0.321 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.600 14.633 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.628 11.790 1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.449 13.115 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.431 14.342 0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.850 12.857 -0.346 1.00 0.00 H new ATOM 934 N GLU A 61 -4.200 11.859 3.251 1.00 0.00 N ATOM 935 CA GLU A 61 -3.613 11.237 4.427 1.00 0.00 C ATOM 936 C GLU A 61 -2.193 11.718 4.661 1.00 0.00 C ATOM 937 O GLU A 61 -1.867 12.175 5.756 1.00 0.00 O ATOM 938 CB GLU A 61 -3.619 9.712 4.297 1.00 0.00 C ATOM 939 CG GLU A 61 -4.991 9.106 4.433 1.00 0.00 C ATOM 940 CD GLU A 61 -5.476 9.219 5.853 1.00 0.00 C ATOM 941 OE1 GLU A 61 -4.681 8.911 6.769 1.00 0.00 O ATOM 942 OE2 GLU A 61 -6.631 9.631 6.065 1.00 0.00 O ATOM 0 H GLU A 61 -4.124 11.306 2.398 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.224 11.528 5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.202 9.436 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.965 9.287 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.687 9.611 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.964 8.058 4.133 1.00 0.00 H new ATOM 949 N LEU A 62 -1.355 11.643 3.632 1.00 0.00 N ATOM 950 CA LEU A 62 0.063 11.919 3.805 1.00 0.00 C ATOM 951 C LEU A 62 0.424 13.329 3.345 1.00 0.00 C ATOM 952 O LEU A 62 1.597 13.692 3.349 1.00 0.00 O ATOM 953 CB LEU A 62 0.903 10.894 3.039 1.00 0.00 C ATOM 954 CG LEU A 62 0.608 9.426 3.361 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.506 8.519 2.542 1.00 0.00 C ATOM 956 CD2 LEU A 62 0.792 9.152 4.845 1.00 0.00 C ATOM 0 H LEU A 62 -1.630 11.396 2.681 1.00 0.00 H new ATOM 0 HA LEU A 62 0.282 11.845 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.751 11.051 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.956 11.088 3.243 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.430 9.219 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.286 7.478 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.329 8.694 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.549 8.732 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.577 8.103 5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.820 9.375 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.111 9.781 5.418 1.00 0.00 H new ATOM 968 N GLY A 63 -0.593 14.129 3.010 1.00 0.00 N ATOM 969 CA GLY A 63 -0.374 15.463 2.461 1.00 0.00 C ATOM 970 C GLY A 63 0.685 15.544 1.368 1.00 0.00 C ATOM 971 O GLY A 63 1.390 16.550 1.272 1.00 0.00 O ATOM 0 H GLY A 63 -1.575 13.872 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.317 15.834 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.088 16.131 3.273 1.00 0.00 H new ATOM 975 N ILE A 64 0.802 14.511 0.538 1.00 0.00 N ATOM 976 CA ILE A 64 1.818 14.509 -0.510 1.00 0.00 C ATOM 977 C ILE A 64 1.215 14.279 -1.889 1.00 0.00 C ATOM 978 O ILE A 64 0.225 13.563 -2.042 1.00 0.00 O ATOM 979 CB ILE A 64 2.912 13.437 -0.271 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.295 12.033 -0.213 1.00 0.00 C ATOM 981 CG2 ILE A 64 3.686 13.741 1.004 1.00 0.00 C ATOM 982 CD1 ILE A 64 3.313 10.908 -0.166 1.00 0.00 C ATOM 0 H ILE A 64 0.216 13.677 0.569 1.00 0.00 H new ATOM 0 HA ILE A 64 2.273 15.499 -0.471 1.00 0.00 H new ATOM 0 HB ILE A 64 3.608 13.464 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.655 11.966 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.655 11.893 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.450 12.979 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.161 14.718 0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.002 13.744 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.795 9.950 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.938 10.946 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.938 11.019 0.720 1.00 0.00 H new ATOM 994 N GLU A 65 1.821 14.904 -2.888 1.00 0.00 N ATOM 995 CA GLU A 65 1.461 14.666 -4.274 1.00 0.00 C ATOM 996 C GLU A 65 2.313 13.529 -4.818 1.00 0.00 C ATOM 997 O GLU A 65 3.438 13.749 -5.264 1.00 0.00 O ATOM 998 CB GLU A 65 1.693 15.920 -5.121 1.00 0.00 C ATOM 999 CG GLU A 65 0.971 17.160 -4.624 1.00 0.00 C ATOM 1000 CD GLU A 65 1.399 18.404 -5.375 1.00 0.00 C ATOM 1001 OE1 GLU A 65 0.887 18.641 -6.489 1.00 0.00 O ATOM 1002 OE2 GLU A 65 2.263 19.146 -4.861 1.00 0.00 O ATOM 0 H GLU A 65 2.570 15.585 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 65 0.404 14.406 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.763 16.127 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.376 15.716 -6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.105 17.022 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.168 17.293 -3.560 1.00 0.00 H new ATOM 1009 N ALA A 66 1.799 12.317 -4.747 1.00 0.00 N ATOM 1010 CA ALA A 66 2.561 11.149 -5.159 1.00 0.00 C ATOM 1011 C ALA A 66 2.516 10.954 -6.667 1.00 0.00 C ATOM 1012 O ALA A 66 1.538 11.305 -7.325 1.00 0.00 O ATOM 1013 CB ALA A 66 2.044 9.910 -4.451 1.00 0.00 C ATOM 0 H ALA A 66 0.859 12.113 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 66 3.601 11.313 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.622 9.042 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.143 10.039 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.994 9.758 -4.703 1.00 0.00 H new ATOM 1019 N THR A 67 3.585 10.398 -7.199 1.00 0.00 N ATOM 1020 CA THR A 67 3.651 10.061 -8.603 1.00 0.00 C ATOM 1021 C THR A 67 3.690 8.546 -8.749 1.00 0.00 C ATOM 1022 O THR A 67 4.706 7.916 -8.476 1.00 0.00 O ATOM 1023 CB THR A 67 4.893 10.689 -9.270 1.00 0.00 C ATOM 1024 OG1 THR A 67 4.907 12.105 -9.033 1.00 0.00 O ATOM 1025 CG2 THR A 67 4.905 10.422 -10.768 1.00 0.00 C ATOM 0 H THR A 67 4.428 10.169 -6.672 1.00 0.00 H new ATOM 0 HA THR A 67 2.768 10.460 -9.102 1.00 0.00 H new ATOM 0 HB THR A 67 5.781 10.233 -8.833 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.698 12.500 -9.456 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.791 10.876 -11.211 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.921 9.347 -10.946 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.012 10.852 -11.221 1.00 0.00 H new ATOM 1033 N VAL A 68 2.567 7.965 -9.141 1.00 0.00 N ATOM 1034 CA VAL A 68 2.446 6.517 -9.237 1.00 0.00 C ATOM 1035 C VAL A 68 2.890 6.024 -10.613 1.00 0.00 C ATOM 1036 O VAL A 68 2.332 6.434 -11.633 1.00 0.00 O ATOM 1037 CB VAL A 68 0.994 6.070 -8.977 1.00 0.00 C ATOM 1038 CG1 VAL A 68 0.879 4.556 -9.017 1.00 0.00 C ATOM 1039 CG2 VAL A 68 0.499 6.611 -7.643 1.00 0.00 C ATOM 0 H VAL A 68 1.723 8.476 -9.399 1.00 0.00 H new ATOM 0 HA VAL A 68 3.095 6.082 -8.477 1.00 0.00 H new ATOM 0 HB VAL A 68 0.365 6.478 -9.768 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.155 4.265 -8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.187 4.193 -9.998 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.522 4.122 -8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.528 6.285 -7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.133 6.236 -6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.536 7.700 -7.656 1.00 0.00 H new ATOM 1049 N GLY A 69 3.878 5.132 -10.647 1.00 0.00 N ATOM 1050 CA GLY A 69 4.413 4.700 -11.922 1.00 0.00 C ATOM 1051 C GLY A 69 5.312 3.480 -11.837 1.00 0.00 C ATOM 1052 O GLY A 69 6.529 3.630 -11.916 1.00 0.00 O ATOM 0 H GLY A 69 4.310 4.708 -9.826 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.585 4.481 -12.596 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.975 5.522 -12.365 1.00 0.00 H new ATOM 1056 N GLU A 70 4.695 2.286 -11.683 1.00 0.00 N ATOM 1057 CA GLU A 70 5.358 0.959 -11.733 1.00 0.00 C ATOM 1058 C GLU A 70 4.642 -0.005 -10.769 1.00 0.00 C ATOM 1059 O GLU A 70 4.532 0.253 -9.567 1.00 0.00 O ATOM 1060 CB GLU A 70 6.874 0.976 -11.448 1.00 0.00 C ATOM 1061 CG GLU A 70 7.255 1.280 -10.017 1.00 0.00 C ATOM 1062 CD GLU A 70 8.750 1.212 -9.793 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.283 0.095 -9.644 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.394 2.279 -9.741 1.00 0.00 O ATOM 0 H GLU A 70 3.691 2.215 -11.515 1.00 0.00 H new ATOM 0 HA GLU A 70 5.271 0.618 -12.765 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.290 0.006 -11.720 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.342 1.716 -12.097 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.895 2.274 -9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.758 0.573 -9.353 1.00 0.00 H new ATOM 1071 N TYR A 71 4.105 -1.086 -11.324 1.00 0.00 N ATOM 1072 CA TYR A 71 3.333 -2.066 -10.555 1.00 0.00 C ATOM 1073 C TYR A 71 4.257 -3.029 -9.804 1.00 0.00 C ATOM 1074 O TYR A 71 5.199 -3.566 -10.389 1.00 0.00 O ATOM 1075 CB TYR A 71 2.445 -2.860 -11.522 1.00 0.00 C ATOM 1076 CG TYR A 71 1.133 -3.354 -10.946 1.00 0.00 C ATOM 1077 CD1 TYR A 71 1.060 -3.974 -9.705 1.00 0.00 C ATOM 1078 CD2 TYR A 71 -0.040 -3.205 -11.671 1.00 0.00 C ATOM 1079 CE1 TYR A 71 -0.147 -4.427 -9.204 1.00 0.00 C ATOM 1080 CE2 TYR A 71 -1.247 -3.657 -11.181 1.00 0.00 C ATOM 1081 CZ TYR A 71 -1.297 -4.268 -9.949 1.00 0.00 C ATOM 1082 OH TYR A 71 -2.504 -4.726 -9.467 1.00 0.00 O ATOM 0 H TYR A 71 4.190 -1.311 -12.315 1.00 0.00 H new ATOM 0 HA TYR A 71 2.724 -1.538 -9.821 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.229 -2.233 -12.387 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.009 -3.719 -11.884 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.960 -4.104 -9.122 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.007 -2.726 -12.638 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.189 -4.902 -8.235 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.149 -3.532 -11.762 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.947 -5.266 -10.154 1.00 0.00 H new ATOM 1092 N VAL A 72 3.996 -3.235 -8.510 1.00 0.00 N ATOM 1093 CA VAL A 72 4.767 -4.201 -7.727 1.00 0.00 C ATOM 1094 C VAL A 72 4.046 -5.543 -7.635 1.00 0.00 C ATOM 1095 O VAL A 72 4.480 -6.523 -8.237 1.00 0.00 O ATOM 1096 CB VAL A 72 5.043 -3.692 -6.294 1.00 0.00 C ATOM 1097 CG1 VAL A 72 5.845 -4.718 -5.502 1.00 0.00 C ATOM 1098 CG2 VAL A 72 5.767 -2.356 -6.330 1.00 0.00 C ATOM 0 H VAL A 72 3.265 -2.751 -7.988 1.00 0.00 H new ATOM 0 HA VAL A 72 5.715 -4.328 -8.249 1.00 0.00 H new ATOM 0 HB VAL A 72 4.086 -3.548 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.028 -4.339 -4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.284 -5.651 -5.442 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.797 -4.899 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.952 -2.015 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.717 -2.471 -6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.152 -1.623 -6.852 1.00 0.00 H new ATOM 1108 N ALA A 73 2.939 -5.587 -6.895 1.00 0.00 N ATOM 1109 CA ALA A 73 2.172 -6.820 -6.761 1.00 0.00 C ATOM 1110 C ALA A 73 0.732 -6.535 -6.363 1.00 0.00 C ATOM 1111 O ALA A 73 0.377 -5.401 -6.053 1.00 0.00 O ATOM 1112 CB ALA A 73 2.825 -7.739 -5.738 1.00 0.00 C ATOM 0 H ALA A 73 2.558 -4.790 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 73 2.163 -7.315 -7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.242 -8.656 -5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.837 -7.983 -6.062 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.864 -7.237 -4.771 1.00 0.00 H new ATOM 1118 N SER A 74 -0.097 -7.564 -6.383 1.00 0.00 N ATOM 1119 CA SER A 74 -1.479 -7.440 -5.963 1.00 0.00 C ATOM 1120 C SER A 74 -1.868 -8.632 -5.098 1.00 0.00 C ATOM 1121 O SER A 74 -1.363 -9.739 -5.295 1.00 0.00 O ATOM 1122 CB SER A 74 -2.391 -7.337 -7.189 1.00 0.00 C ATOM 1123 OG SER A 74 -2.130 -8.385 -8.108 1.00 0.00 O ATOM 0 H SER A 74 0.167 -8.501 -6.688 1.00 0.00 H new ATOM 0 HA SER A 74 -1.595 -6.532 -5.371 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.434 -7.376 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.241 -6.374 -7.678 1.00 0.00 H new ATOM 0 HG SER A 74 -2.726 -8.298 -8.881 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.752 -8.409 -4.134 1.00 0.00 N ATOM 1130 CA HIS A 75 -3.174 -9.473 -3.233 1.00 0.00 C ATOM 1131 C HIS A 75 -4.670 -9.386 -2.969 1.00 0.00 C ATOM 1132 O HIS A 75 -5.246 -8.296 -2.947 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.413 -9.395 -1.907 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.668 -10.555 -0.991 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -2.183 -11.821 -1.228 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -3.361 -10.633 0.170 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -2.566 -12.629 -0.256 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -3.280 -11.931 0.606 1.00 0.00 N ATOM 0 H HIS A 75 -3.189 -7.505 -3.956 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.951 -10.426 -3.712 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.345 -9.337 -2.115 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.688 -8.473 -1.395 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.881 -9.824 0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.334 -13.681 -0.180 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.703 -12.297 1.459 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.291 -10.533 -2.779 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.697 -10.595 -2.437 1.00 0.00 C ATOM 1149 C GLN A 76 -6.897 -11.117 -1.024 1.00 0.00 C ATOM 1150 O GLN A 76 -6.173 -11.999 -0.563 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.447 -11.477 -3.433 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.830 -10.748 -4.704 1.00 0.00 C ATOM 1153 CD GLN A 76 -8.368 -11.677 -5.771 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -9.670 -11.915 -5.752 1.00 0.00 O flip ATOM 1155 NE2 GLN A 76 -7.618 -12.180 -6.605 1.00 0.00 N flip ATOM 0 H GLN A 76 -4.838 -11.443 -2.857 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.098 -9.583 -2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.826 -12.336 -3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.348 -11.865 -2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.582 -9.993 -4.473 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.958 -10.221 -5.093 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.620 -11.971 -6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.994 -12.807 -7.317 1.00 0.00 H new ATOM 1164 N ARG A 77 -7.864 -10.538 -0.342 1.00 0.00 N ATOM 1165 CA ARG A 77 -8.280 -10.996 0.973 1.00 0.00 C ATOM 1166 C ARG A 77 -9.766 -10.710 1.087 1.00 0.00 C ATOM 1167 O ARG A 77 -10.317 -10.056 0.210 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.487 -10.294 2.093 1.00 0.00 C ATOM 1169 CG ARG A 77 -7.962 -8.883 2.425 1.00 0.00 C ATOM 1170 CD ARG A 77 -7.067 -8.222 3.468 1.00 0.00 C ATOM 1171 NE ARG A 77 -7.663 -7.013 4.048 1.00 0.00 N ATOM 1172 CZ ARG A 77 -6.957 -5.959 4.470 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -5.635 -5.945 4.345 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -7.570 -4.921 5.021 1.00 0.00 N ATOM 0 H ARG A 77 -8.388 -9.732 -0.684 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.082 -12.062 1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.543 -10.903 2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.437 -10.250 1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.973 -8.279 1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.987 -8.921 2.795 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.858 -8.936 4.265 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.112 -7.966 3.010 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.679 -6.974 4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.154 -6.741 3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.101 -5.139 4.668 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.585 -4.924 5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.027 -4.119 5.341 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.434 -11.196 2.109 1.00 0.00 N ATOM 1189 CA GLU A 78 -11.855 -10.916 2.230 1.00 0.00 C ATOM 1190 C GLU A 78 -12.173 -10.172 3.522 1.00 0.00 C ATOM 1191 O GLU A 78 -11.484 -10.321 4.530 1.00 0.00 O ATOM 1192 CB GLU A 78 -12.677 -12.205 2.130 1.00 0.00 C ATOM 1193 CG GLU A 78 -12.607 -13.085 3.364 1.00 0.00 C ATOM 1194 CD GLU A 78 -13.423 -14.348 3.220 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -12.992 -15.262 2.486 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -14.501 -14.432 3.838 1.00 0.00 O ATOM 0 H GLU A 78 -10.035 -11.771 2.851 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.131 -10.267 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.719 -11.945 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.331 -12.777 1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.568 -13.348 3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.962 -12.523 4.228 1.00 0.00 H new ATOM 1203 N VAL A 79 -13.207 -9.352 3.462 1.00 0.00 N ATOM 1204 CA VAL A 79 -13.732 -8.679 4.635 1.00 0.00 C ATOM 1205 C VAL A 79 -15.231 -8.960 4.757 1.00 0.00 C ATOM 1206 O VAL A 79 -16.054 -8.324 4.100 1.00 0.00 O ATOM 1207 CB VAL A 79 -13.464 -7.148 4.629 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -13.915 -6.502 3.328 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -14.132 -6.476 5.822 1.00 0.00 C ATOM 0 H VAL A 79 -13.706 -9.134 2.599 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.205 -9.078 5.502 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.386 -7.006 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.711 -5.432 3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.373 -6.948 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -14.985 -6.663 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.930 -5.405 5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.208 -6.644 5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.736 -6.898 6.746 1.00 0.00 H new ATOM 1219 N SER A 80 -15.566 -9.957 5.568 1.00 0.00 N ATOM 1220 CA SER A 80 -16.955 -10.355 5.786 1.00 0.00 C ATOM 1221 C SER A 80 -17.695 -10.582 4.459 1.00 0.00 C ATOM 1222 O SER A 80 -18.625 -9.847 4.113 1.00 0.00 O ATOM 1223 CB SER A 80 -17.674 -9.301 6.632 1.00 0.00 C ATOM 1224 OG SER A 80 -16.980 -9.065 7.849 1.00 0.00 O ATOM 0 H SER A 80 -14.888 -10.511 6.091 1.00 0.00 H new ATOM 0 HA SER A 80 -16.954 -11.304 6.323 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.755 -8.371 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.690 -9.633 6.847 1.00 0.00 H new ATOM 0 HG SER A 80 -17.457 -8.387 8.372 1.00 0.00 H new ATOM 1230 N GLY A 81 -17.266 -11.596 3.712 1.00 0.00 N ATOM 1231 CA GLY A 81 -17.913 -11.940 2.456 1.00 0.00 C ATOM 1232 C GLY A 81 -17.696 -10.920 1.349 1.00 0.00 C ATOM 1233 O GLY A 81 -18.404 -10.931 0.341 1.00 0.00 O ATOM 0 H GLY A 81 -16.474 -12.191 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.542 -12.909 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.983 -12.051 2.629 1.00 0.00 H new ATOM 1237 N ARG A 82 -16.742 -10.024 1.537 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.386 -9.060 0.501 1.00 0.00 C ATOM 1239 C ARG A 82 -14.933 -9.267 0.113 1.00 0.00 C ATOM 1240 O ARG A 82 -14.074 -9.374 0.978 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.589 -7.626 0.996 1.00 0.00 C ATOM 1242 CG ARG A 82 -17.981 -7.341 1.532 1.00 0.00 C ATOM 1243 CD ARG A 82 -18.080 -5.929 2.084 1.00 0.00 C ATOM 1244 NE ARG A 82 -19.402 -5.646 2.637 1.00 0.00 N ATOM 1245 CZ ARG A 82 -19.884 -4.421 2.834 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -19.138 -3.351 2.569 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -21.111 -4.262 3.310 1.00 0.00 N ATOM 0 H ARG A 82 -16.198 -9.941 2.396 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.031 -9.216 -0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.861 -7.418 1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.380 -6.938 0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.714 -7.475 0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.226 -8.058 2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.326 -5.790 2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.859 -5.214 1.291 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.994 -6.438 2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.189 -3.466 2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.515 -2.416 2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.684 -5.078 3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.482 -3.324 3.461 1.00 0.00 H new ATOM 1261 N ILE A 83 -14.650 -9.313 -1.173 1.00 0.00 N ATOM 1262 CA ILE A 83 -13.307 -9.644 -1.627 1.00 0.00 C ATOM 1263 C ILE A 83 -12.502 -8.377 -1.886 1.00 0.00 C ATOM 1264 O ILE A 83 -12.778 -7.628 -2.821 1.00 0.00 O ATOM 1265 CB ILE A 83 -13.324 -10.544 -2.891 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -13.739 -11.982 -2.536 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -11.961 -10.552 -3.572 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -15.170 -12.131 -2.063 1.00 0.00 C ATOM 0 H ILE A 83 -15.321 -9.128 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.827 -10.212 -0.830 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.058 -10.128 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.593 -12.614 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -13.073 -12.356 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.999 -11.190 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.697 -9.537 -3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.211 -10.935 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.371 -13.178 -1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.321 -11.530 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.849 -11.792 -2.846 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.523 -8.140 -1.029 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.663 -6.977 -1.143 1.00 0.00 C ATOM 1282 C ILE A 84 -9.496 -7.276 -2.077 1.00 0.00 C ATOM 1283 O ILE A 84 -8.811 -8.291 -1.934 1.00 0.00 O ATOM 1284 CB ILE A 84 -10.118 -6.510 0.229 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -10.846 -7.189 1.382 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.268 -5.013 0.382 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -10.730 -6.418 2.678 1.00 0.00 C ATOM 0 H ILE A 84 -11.304 -8.746 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.271 -6.170 -1.551 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.064 -6.785 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -11.899 -7.304 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.441 -8.191 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.879 -4.706 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.711 -4.509 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.322 -4.744 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.267 -6.947 3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.680 -6.326 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.160 -5.425 2.550 1.00 0.00 H new ATOM 1299 N HIS A 85 -9.284 -6.388 -3.031 1.00 0.00 N ATOM 1300 CA HIS A 85 -8.273 -6.573 -4.057 1.00 0.00 C ATOM 1301 C HIS A 85 -7.246 -5.445 -3.981 1.00 0.00 C ATOM 1302 O HIS A 85 -7.476 -4.346 -4.488 1.00 0.00 O ATOM 1303 CB HIS A 85 -8.952 -6.607 -5.434 1.00 0.00 C ATOM 1304 CG HIS A 85 -8.066 -7.035 -6.565 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -8.146 -6.483 -7.824 1.00 0.00 N ATOM 1306 CD2 HIS A 85 -7.118 -7.999 -6.641 1.00 0.00 C ATOM 1307 CE1 HIS A 85 -7.292 -7.091 -8.626 1.00 0.00 C ATOM 1308 NE2 HIS A 85 -6.654 -8.014 -7.932 1.00 0.00 N ATOM 0 H HIS A 85 -9.808 -5.517 -3.117 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.752 -7.517 -3.900 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.806 -7.283 -5.385 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -9.344 -5.614 -5.654 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -8.769 -5.722 -8.095 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.788 -8.638 -5.835 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.141 -6.870 -9.672 1.00 0.00 H new ATOM 1317 N LEU A 86 -6.126 -5.721 -3.327 1.00 0.00 N ATOM 1318 CA LEU A 86 -5.101 -4.711 -3.100 1.00 0.00 C ATOM 1319 C LEU A 86 -4.120 -4.636 -4.264 1.00 0.00 C ATOM 1320 O LEU A 86 -3.641 -5.655 -4.752 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.341 -4.978 -1.794 1.00 0.00 C ATOM 1322 CG LEU A 86 -5.098 -4.627 -0.509 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.134 -5.693 -0.173 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -4.124 -4.438 0.644 1.00 0.00 C ATOM 0 H LEU A 86 -5.904 -6.639 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.612 -3.751 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.071 -6.034 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.410 -4.412 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.628 -3.689 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.656 -5.417 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.852 -5.773 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.636 -6.653 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.677 -4.189 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.564 -5.360 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.432 -3.630 0.407 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.856 -3.417 -4.714 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.888 -3.167 -5.778 1.00 0.00 C ATOM 1338 C HIS A 87 -1.700 -2.393 -5.221 1.00 0.00 C ATOM 1339 O HIS A 87 -1.850 -1.235 -4.842 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.516 -2.332 -6.901 1.00 0.00 C ATOM 1341 CG HIS A 87 -4.809 -2.862 -7.438 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -4.888 -3.640 -8.570 1.00 0.00 N ATOM 1343 CD2 HIS A 87 -6.086 -2.686 -7.016 1.00 0.00 C ATOM 1344 CE1 HIS A 87 -6.153 -3.916 -8.823 1.00 0.00 C ATOM 1345 NE2 HIS A 87 -6.897 -3.352 -7.897 1.00 0.00 N ATOM 0 H HIS A 87 -4.304 -2.574 -4.354 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.568 -4.131 -6.174 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.681 -1.320 -6.531 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.802 -2.259 -7.721 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -4.093 -3.954 -9.126 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.404 -2.126 -6.149 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.516 -4.506 -9.651 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.914 -3.402 -7.843 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.532 -3.013 -5.173 1.00 0.00 N ATOM 1355 CA ALA A 88 0.658 -2.339 -4.669 1.00 0.00 C ATOM 1356 C ALA A 88 1.398 -1.635 -5.792 1.00 0.00 C ATOM 1357 O ALA A 88 1.977 -2.275 -6.674 1.00 0.00 O ATOM 1358 CB ALA A 88 1.588 -3.314 -3.963 1.00 0.00 C ATOM 0 H ALA A 88 -0.381 -3.976 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 88 0.329 -1.594 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.466 -2.780 -3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.066 -3.771 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.899 -4.091 -4.662 1.00 0.00 H new ATOM 1364 N TRP A 89 1.363 -0.318 -5.760 1.00 0.00 N ATOM 1365 CA TRP A 89 2.093 0.488 -6.716 1.00 0.00 C ATOM 1366 C TRP A 89 3.274 1.149 -6.029 1.00 0.00 C ATOM 1367 O TRP A 89 3.153 1.647 -4.909 1.00 0.00 O ATOM 1368 CB TRP A 89 1.188 1.553 -7.336 1.00 0.00 C ATOM 1369 CG TRP A 89 0.168 1.010 -8.294 1.00 0.00 C ATOM 1370 CD1 TRP A 89 -1.068 0.513 -7.993 1.00 0.00 C ATOM 1371 CD2 TRP A 89 0.296 0.932 -9.718 1.00 0.00 C ATOM 1372 NE1 TRP A 89 -1.713 0.127 -9.144 1.00 0.00 N ATOM 1373 CE2 TRP A 89 -0.896 0.375 -10.215 1.00 0.00 C ATOM 1374 CE3 TRP A 89 1.305 1.278 -10.622 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 -1.107 0.158 -11.575 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 1.094 1.063 -11.970 1.00 0.00 C ATOM 1377 CH2 TRP A 89 -0.104 0.508 -12.435 1.00 0.00 C ATOM 0 H TRP A 89 0.832 0.220 -5.076 1.00 0.00 H new ATOM 0 HA TRP A 89 2.452 -0.161 -7.514 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.672 2.086 -6.537 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.808 2.282 -7.857 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.478 0.435 -6.997 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -2.648 -0.278 -9.193 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.233 1.706 -10.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -2.030 -0.271 -11.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 1.866 1.328 -12.677 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -0.239 0.353 -13.495 1.00 0.00 H new ATOM 1388 N HIS A 90 4.414 1.141 -6.688 1.00 0.00 N ATOM 1389 CA HIS A 90 5.599 1.773 -6.138 1.00 0.00 C ATOM 1390 C HIS A 90 5.587 3.251 -6.478 1.00 0.00 C ATOM 1391 O HIS A 90 5.434 3.626 -7.640 1.00 0.00 O ATOM 1392 CB HIS A 90 6.865 1.104 -6.685 1.00 0.00 C ATOM 1393 CG HIS A 90 8.151 1.743 -6.254 1.00 0.00 C ATOM 1394 ND1 HIS A 90 8.912 2.538 -7.083 1.00 0.00 N ATOM 1395 CD2 HIS A 90 8.830 1.667 -5.090 1.00 0.00 C ATOM 1396 CE1 HIS A 90 10.000 2.918 -6.449 1.00 0.00 C ATOM 1397 NE2 HIS A 90 9.981 2.403 -5.235 1.00 0.00 N ATOM 0 H HIS A 90 4.547 0.706 -7.601 1.00 0.00 H new ATOM 0 HA HIS A 90 5.597 1.657 -5.054 1.00 0.00 H new ATOM 0 HB2 HIS A 90 6.872 0.060 -6.372 1.00 0.00 H new ATOM 0 HB3 HIS A 90 6.820 1.110 -7.774 1.00 0.00 H new ATOM 0 HD1 HIS A 90 8.669 2.793 -8.040 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.524 1.127 -4.206 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.779 3.547 -6.855 1.00 0.00 H new ATOM 1406 N VAL A 91 5.706 4.081 -5.458 1.00 0.00 N ATOM 1407 CA VAL A 91 5.797 5.515 -5.646 1.00 0.00 C ATOM 1408 C VAL A 91 7.262 5.925 -5.761 1.00 0.00 C ATOM 1409 O VAL A 91 7.982 5.981 -4.764 1.00 0.00 O ATOM 1410 CB VAL A 91 5.132 6.279 -4.480 1.00 0.00 C ATOM 1411 CG1 VAL A 91 5.201 7.779 -4.702 1.00 0.00 C ATOM 1412 CG2 VAL A 91 3.689 5.835 -4.306 1.00 0.00 C ATOM 0 H VAL A 91 5.742 3.782 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 91 5.268 5.771 -6.564 1.00 0.00 H new ATOM 0 HB VAL A 91 5.681 6.045 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.726 8.293 -3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.244 8.089 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.683 8.034 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.237 6.384 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.134 6.035 -5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.660 4.767 -4.091 1.00 0.00 H new ATOM 1422 N PRO A 92 7.731 6.171 -6.993 1.00 0.00 N ATOM 1423 CA PRO A 92 9.120 6.559 -7.251 1.00 0.00 C ATOM 1424 C PRO A 92 9.423 7.984 -6.789 1.00 0.00 C ATOM 1425 O PRO A 92 10.575 8.328 -6.520 1.00 0.00 O ATOM 1426 CB PRO A 92 9.241 6.438 -8.776 1.00 0.00 C ATOM 1427 CG PRO A 92 7.853 6.624 -9.290 1.00 0.00 C ATOM 1428 CD PRO A 92 6.943 6.072 -8.235 1.00 0.00 C ATOM 0 HA PRO A 92 9.830 5.936 -6.706 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.916 7.193 -9.179 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.642 5.466 -9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.643 7.678 -9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.714 6.102 -10.237 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.018 6.645 -8.167 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.664 5.040 -8.449 1.00 0.00 H new ATOM 1436 N ASP A 93 8.380 8.802 -6.676 1.00 0.00 N ATOM 1437 CA ASP A 93 8.548 10.196 -6.284 1.00 0.00 C ATOM 1438 C ASP A 93 7.262 10.773 -5.710 1.00 0.00 C ATOM 1439 O ASP A 93 6.162 10.384 -6.103 1.00 0.00 O ATOM 1440 CB ASP A 93 8.993 11.036 -7.478 1.00 0.00 C ATOM 1441 CG ASP A 93 9.302 12.467 -7.087 1.00 0.00 C ATOM 1442 OD1 ASP A 93 10.203 12.676 -6.247 1.00 0.00 O ATOM 1443 OD2 ASP A 93 8.644 13.385 -7.613 1.00 0.00 O ATOM 0 H ASP A 93 7.414 8.524 -6.850 1.00 0.00 H new ATOM 0 HA ASP A 93 9.315 10.227 -5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.877 10.585 -7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.211 11.029 -8.237 1.00 0.00 H new ATOM 1448 N PHE A 94 7.411 11.706 -4.782 1.00 0.00 N ATOM 1449 CA PHE A 94 6.279 12.386 -4.176 1.00 0.00 C ATOM 1450 C PHE A 94 6.650 13.840 -3.918 1.00 0.00 C ATOM 1451 O PHE A 94 7.809 14.144 -3.629 1.00 0.00 O ATOM 1452 CB PHE A 94 5.862 11.702 -2.864 1.00 0.00 C ATOM 1453 CG PHE A 94 6.883 11.805 -1.762 1.00 0.00 C ATOM 1454 CD1 PHE A 94 7.978 10.954 -1.726 1.00 0.00 C ATOM 1455 CD2 PHE A 94 6.744 12.754 -0.763 1.00 0.00 C ATOM 1456 CE1 PHE A 94 8.914 11.051 -0.714 1.00 0.00 C ATOM 1457 CE2 PHE A 94 7.677 12.855 0.250 1.00 0.00 C ATOM 1458 CZ PHE A 94 8.764 12.004 0.275 1.00 0.00 C ATOM 0 H PHE A 94 8.318 12.012 -4.429 1.00 0.00 H new ATOM 0 HA PHE A 94 5.431 12.339 -4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 94 4.926 12.142 -2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.664 10.649 -3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.100 10.208 -2.497 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.896 13.423 -0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.762 10.382 -0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.556 13.600 1.023 1.00 0.00 H new ATOM 0 HZ PHE A 94 9.495 12.083 1.066 1.00 0.00 H new ATOM 1468 N HIS A 95 5.688 14.736 -4.052 1.00 0.00 N ATOM 1469 CA HIS A 95 5.930 16.147 -3.791 1.00 0.00 C ATOM 1470 C HIS A 95 5.213 16.587 -2.519 1.00 0.00 C ATOM 1471 O HIS A 95 3.991 16.495 -2.424 1.00 0.00 O ATOM 1472 CB HIS A 95 5.461 16.993 -4.980 1.00 0.00 C ATOM 1473 CG HIS A 95 5.814 18.444 -4.865 1.00 0.00 C ATOM 1474 ND1 HIS A 95 4.876 19.442 -4.710 1.00 0.00 N ATOM 1475 CD2 HIS A 95 7.016 19.060 -4.883 1.00 0.00 C ATOM 1476 CE1 HIS A 95 5.490 20.609 -4.637 1.00 0.00 C ATOM 1477 NE2 HIS A 95 6.791 20.406 -4.738 1.00 0.00 N ATOM 0 H HIS A 95 4.735 14.514 -4.339 1.00 0.00 H new ATOM 0 HA HIS A 95 7.001 16.294 -3.653 1.00 0.00 H new ATOM 0 HB2 HIS A 95 5.900 16.593 -5.894 1.00 0.00 H new ATOM 0 HB3 HIS A 95 4.380 16.898 -5.077 1.00 0.00 H new ATOM 0 HD1 HIS A 95 3.867 19.301 -4.660 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.978 18.581 -4.992 1.00 0.00 H new ATOM 0 HE1 HIS A 95 5.009 21.568 -4.515 1.00 0.00 H new ATOM 1486 N GLY A 96 5.979 17.067 -1.553 1.00 0.00 N ATOM 1487 CA GLY A 96 5.403 17.527 -0.307 1.00 0.00 C ATOM 1488 C GLY A 96 6.105 16.941 0.898 1.00 0.00 C ATOM 1489 O GLY A 96 7.200 16.387 0.778 1.00 0.00 O ATOM 0 H GLY A 96 6.994 17.147 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.457 18.615 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.347 17.259 -0.276 1.00 0.00 H new ATOM 1493 N THR A 97 5.481 17.061 2.060 1.00 0.00 N ATOM 1494 CA THR A 97 6.048 16.529 3.286 1.00 0.00 C ATOM 1495 C THR A 97 5.097 15.539 3.931 1.00 0.00 C ATOM 1496 O THR A 97 3.915 15.829 4.127 1.00 0.00 O ATOM 1497 CB THR A 97 6.392 17.651 4.285 1.00 0.00 C ATOM 1498 OG1 THR A 97 7.310 18.577 3.683 1.00 0.00 O ATOM 1499 CG2 THR A 97 7.006 17.083 5.557 1.00 0.00 C ATOM 0 H THR A 97 4.580 17.524 2.178 1.00 0.00 H new ATOM 0 HA THR A 97 6.972 16.015 3.020 1.00 0.00 H new ATOM 0 HB THR A 97 5.468 18.166 4.547 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.523 19.288 4.322 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.239 17.897 6.244 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.299 16.401 6.029 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.921 16.544 5.310 1.00 0.00 H new ATOM 1507 N LEU A 98 5.636 14.376 4.251 1.00 0.00 N ATOM 1508 CA LEU A 98 4.873 13.283 4.798 1.00 0.00 C ATOM 1509 C LEU A 98 4.195 13.660 6.110 1.00 0.00 C ATOM 1510 O LEU A 98 4.829 14.175 7.034 1.00 0.00 O ATOM 1511 CB LEU A 98 5.809 12.116 5.034 1.00 0.00 C ATOM 1512 CG LEU A 98 6.715 11.756 3.858 1.00 0.00 C ATOM 1513 CD1 LEU A 98 7.805 10.800 4.308 1.00 0.00 C ATOM 1514 CD2 LEU A 98 5.900 11.138 2.735 1.00 0.00 C ATOM 0 H LEU A 98 6.628 14.168 4.135 1.00 0.00 H new ATOM 0 HA LEU A 98 4.089 13.020 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.435 12.343 5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.213 11.241 5.293 1.00 0.00 H new ATOM 0 HG LEU A 98 7.183 12.667 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.444 10.551 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.404 11.272 5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.351 9.890 4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.558 10.886 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.410 10.234 3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.146 11.850 2.398 1.00 0.00 H new ATOM 1526 N GLN A 99 2.908 13.391 6.175 1.00 0.00 N ATOM 1527 CA GLN A 99 2.134 13.606 7.385 1.00 0.00 C ATOM 1528 C GLN A 99 1.149 12.453 7.567 1.00 0.00 C ATOM 1529 O GLN A 99 0.813 11.768 6.609 1.00 0.00 O ATOM 1530 CB GLN A 99 1.386 14.944 7.329 1.00 0.00 C ATOM 1531 CG GLN A 99 0.205 14.955 6.371 1.00 0.00 C ATOM 1532 CD GLN A 99 -0.626 16.217 6.483 1.00 0.00 C ATOM 1533 OE1 GLN A 99 -0.112 17.291 6.807 1.00 0.00 O ATOM 1534 NE2 GLN A 99 -1.922 16.096 6.230 1.00 0.00 N ATOM 0 H GLN A 99 2.368 13.018 5.394 1.00 0.00 H new ATOM 0 HA GLN A 99 2.814 13.641 8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.031 15.192 8.329 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.085 15.727 7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.570 14.855 5.349 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.427 14.090 6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.307 15.190 5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.533 16.909 6.300 1.00 0.00 H new ATOM 1543 N ALA A 100 0.732 12.213 8.795 1.00 0.00 N ATOM 1544 CA ALA A 100 -0.249 11.173 9.065 1.00 0.00 C ATOM 1545 C ALA A 100 -1.584 11.766 9.517 1.00 0.00 C ATOM 1546 O ALA A 100 -1.634 12.547 10.468 1.00 0.00 O ATOM 1547 CB ALA A 100 0.295 10.196 10.096 1.00 0.00 C ATOM 0 H ALA A 100 1.054 12.720 9.620 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.436 10.631 8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.447 9.422 10.291 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.207 9.737 9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.515 10.729 11.021 1.00 0.00 H new ATOM 1553 N HIS A 101 -2.656 11.417 8.806 1.00 0.00 N ATOM 1554 CA HIS A 101 -4.001 11.874 9.153 1.00 0.00 C ATOM 1555 C HIS A 101 -4.738 10.797 9.948 1.00 0.00 C ATOM 1556 O HIS A 101 -5.050 10.978 11.124 1.00 0.00 O ATOM 1557 CB HIS A 101 -4.777 12.222 7.872 1.00 0.00 C ATOM 1558 CG HIS A 101 -6.206 12.634 8.095 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -6.585 13.929 8.364 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -7.352 11.911 8.068 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -7.895 13.987 8.496 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -8.388 12.775 8.320 1.00 0.00 N ATOM 0 H HIS A 101 -2.618 10.816 7.982 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.925 12.767 9.774 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -4.257 13.029 7.356 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.762 11.358 7.208 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -7.435 10.850 7.882 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.469 14.876 8.712 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -9.375 12.523 8.364 1.00 0.00 H new ATOM 1571 N GLU A 102 -5.023 9.681 9.292 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.680 8.555 9.940 1.00 0.00 C ATOM 1573 C GLU A 102 -4.703 7.778 10.807 1.00 0.00 C ATOM 1574 O GLU A 102 -5.080 7.185 11.815 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.287 7.628 8.889 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.753 7.913 8.611 1.00 0.00 C ATOM 1577 CD GLU A 102 -8.575 7.926 9.882 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -8.846 6.838 10.436 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -8.943 9.026 10.344 1.00 0.00 O ATOM 0 H GLU A 102 -4.808 9.531 8.306 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.471 8.947 10.579 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.723 7.724 7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.181 6.595 9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.847 8.875 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.147 7.158 7.931 1.00 0.00 H new ATOM 1586 N HIS A 103 -3.446 7.795 10.410 1.00 0.00 N ATOM 1587 CA HIS A 103 -2.424 7.021 11.091 1.00 0.00 C ATOM 1588 C HIS A 103 -1.686 7.908 12.084 1.00 0.00 C ATOM 1589 O HIS A 103 -1.787 9.128 12.010 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.461 6.404 10.070 1.00 0.00 C ATOM 1591 CG HIS A 103 -2.161 5.628 8.984 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -2.354 4.262 9.019 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -2.730 6.050 7.827 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -3.008 3.883 7.934 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -3.251 4.949 7.195 1.00 0.00 N ATOM 0 H HIS A 103 -3.106 8.338 9.616 1.00 0.00 H new ATOM 0 HA HIS A 103 -2.891 6.205 11.643 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -0.867 7.197 9.615 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.766 5.743 10.589 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -2.041 3.641 9.765 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -2.766 7.068 7.468 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.295 2.870 7.693 1.00 0.00 H new ATOM 1604 N GLN A 104 -0.959 7.304 13.012 1.00 0.00 N ATOM 1605 CA GLN A 104 -0.299 8.070 14.062 1.00 0.00 C ATOM 1606 C GLN A 104 1.143 8.386 13.684 1.00 0.00 C ATOM 1607 O GLN A 104 1.511 9.547 13.503 1.00 0.00 O ATOM 1608 CB GLN A 104 -0.335 7.306 15.390 1.00 0.00 C ATOM 1609 CG GLN A 104 0.293 8.066 16.549 1.00 0.00 C ATOM 1610 CD GLN A 104 0.331 7.252 17.823 1.00 0.00 C ATOM 1611 OE1 GLN A 104 -0.609 7.275 18.616 1.00 0.00 O ATOM 1612 NE2 GLN A 104 1.427 6.541 18.038 1.00 0.00 N ATOM 0 H GLN A 104 -0.811 6.296 13.061 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.840 9.009 14.179 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -1.371 7.074 15.638 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.184 6.355 15.267 1.00 0.00 H new ATOM 0 HG2 GLN A 104 1.307 8.360 16.279 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.269 8.983 16.725 1.00 0.00 H new ATOM 0 HE21 GLN A 104 2.183 6.550 17.354 1.00 0.00 H new ATOM 0 HE22 GLN A 104 1.515 5.984 18.888 1.00 0.00 H new ATOM 1621 N ALA A 105 1.953 7.349 13.555 1.00 0.00 N ATOM 1622 CA ALA A 105 3.371 7.527 13.290 1.00 0.00 C ATOM 1623 C ALA A 105 3.703 7.148 11.860 1.00 0.00 C ATOM 1624 O ALA A 105 3.063 6.271 11.277 1.00 0.00 O ATOM 1625 CB ALA A 105 4.199 6.705 14.269 1.00 0.00 C ATOM 0 H ALA A 105 1.654 6.377 13.629 1.00 0.00 H new ATOM 0 HA ALA A 105 3.617 8.580 13.426 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.259 6.848 14.059 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.984 7.028 15.288 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.947 5.650 14.162 1.00 0.00 H new ATOM 1631 N LEU A 106 4.701 7.807 11.303 1.00 0.00 N ATOM 1632 CA LEU A 106 5.142 7.527 9.951 1.00 0.00 C ATOM 1633 C LEU A 106 6.620 7.183 9.977 1.00 0.00 C ATOM 1634 O LEU A 106 7.427 7.953 10.496 1.00 0.00 O ATOM 1635 CB LEU A 106 4.890 8.738 9.048 1.00 0.00 C ATOM 1636 CG LEU A 106 4.074 8.452 7.789 1.00 0.00 C ATOM 1637 CD1 LEU A 106 2.699 7.921 8.155 1.00 0.00 C ATOM 1638 CD2 LEU A 106 3.945 9.710 6.946 1.00 0.00 C ATOM 0 H LEU A 106 5.225 8.546 11.771 1.00 0.00 H new ATOM 0 HA LEU A 106 4.580 6.684 9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.375 9.503 9.629 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.852 9.156 8.751 1.00 0.00 H new ATOM 0 HG LEU A 106 4.595 7.692 7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.132 7.723 7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.805 6.998 8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.172 8.661 8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.361 9.491 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.445 10.486 7.525 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.937 10.057 6.655 1.00 0.00 H new ATOM 1650 N VAL A 107 6.975 6.032 9.436 1.00 0.00 N ATOM 1651 CA VAL A 107 8.337 5.543 9.539 1.00 0.00 C ATOM 1652 C VAL A 107 8.816 4.951 8.224 1.00 0.00 C ATOM 1653 O VAL A 107 8.136 4.137 7.603 1.00 0.00 O ATOM 1654 CB VAL A 107 8.469 4.499 10.675 1.00 0.00 C ATOM 1655 CG1 VAL A 107 7.481 3.356 10.485 1.00 0.00 C ATOM 1656 CG2 VAL A 107 9.896 3.969 10.768 1.00 0.00 C ATOM 0 H VAL A 107 6.341 5.420 8.922 1.00 0.00 H new ATOM 0 HA VAL A 107 8.970 6.398 9.777 1.00 0.00 H new ATOM 0 HB VAL A 107 8.232 4.998 11.614 1.00 0.00 H new ATOM 0 HG11 VAL A 107 7.595 2.637 11.297 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.464 3.749 10.489 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.675 2.862 9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 107 9.961 3.238 11.574 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.170 3.496 9.825 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.578 4.794 10.972 1.00 0.00 H new ATOM 1666 N TRP A 108 9.974 5.407 7.782 1.00 0.00 N ATOM 1667 CA TRP A 108 10.622 4.821 6.630 1.00 0.00 C ATOM 1668 C TRP A 108 11.634 3.769 7.070 1.00 0.00 C ATOM 1669 O TRP A 108 12.519 4.031 7.889 1.00 0.00 O ATOM 1670 CB TRP A 108 11.277 5.895 5.751 1.00 0.00 C ATOM 1671 CG TRP A 108 12.072 6.917 6.509 1.00 0.00 C ATOM 1672 CD1 TRP A 108 13.386 6.837 6.870 1.00 0.00 C ATOM 1673 CD2 TRP A 108 11.599 8.182 6.989 1.00 0.00 C ATOM 1674 NE1 TRP A 108 13.757 7.973 7.547 1.00 0.00 N ATOM 1675 CE2 TRP A 108 12.679 8.814 7.634 1.00 0.00 C ATOM 1676 CE3 TRP A 108 10.367 8.838 6.939 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 12.564 10.072 8.218 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 10.253 10.086 7.518 1.00 0.00 C ATOM 1679 CH2 TRP A 108 11.346 10.692 8.153 1.00 0.00 C ATOM 0 H TRP A 108 10.483 6.182 8.206 1.00 0.00 H new ATOM 0 HA TRP A 108 9.862 4.330 6.023 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.931 5.407 5.029 1.00 0.00 H new ATOM 0 HB3 TRP A 108 10.500 6.406 5.183 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.038 6.003 6.655 1.00 0.00 H new ATOM 0 HE1 TRP A 108 14.686 8.160 7.924 1.00 0.00 H new ATOM 0 HE3 TRP A 108 9.518 8.377 6.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.406 10.542 8.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 9.306 10.604 7.481 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.224 11.668 8.600 1.00 0.00 H new ATOM 1690 N CYS A 109 11.476 2.577 6.530 1.00 0.00 N ATOM 1691 CA CYS A 109 12.351 1.460 6.847 1.00 0.00 C ATOM 1692 C CYS A 109 12.563 0.606 5.605 1.00 0.00 C ATOM 1693 O CYS A 109 11.765 0.654 4.669 1.00 0.00 O ATOM 1694 CB CYS A 109 11.790 0.621 8.003 1.00 0.00 C ATOM 1695 SG CYS A 109 10.146 -0.063 7.711 1.00 0.00 S ATOM 0 H CYS A 109 10.740 2.353 5.860 1.00 0.00 H new ATOM 0 HA CYS A 109 13.313 1.855 7.173 1.00 0.00 H new ATOM 0 HB2 CYS A 109 12.479 -0.199 8.206 1.00 0.00 H new ATOM 0 HB3 CYS A 109 11.757 1.239 8.900 1.00 0.00 H new ATOM 0 HG CYS A 109 9.944 -1.065 8.514 1.00 0.00 H new ATOM 1701 N SER A 110 13.643 -0.155 5.585 1.00 0.00 N ATOM 1702 CA SER A 110 13.996 -0.944 4.415 1.00 0.00 C ATOM 1703 C SER A 110 13.024 -2.113 4.263 1.00 0.00 C ATOM 1704 O SER A 110 12.415 -2.542 5.244 1.00 0.00 O ATOM 1705 CB SER A 110 15.432 -1.450 4.554 1.00 0.00 C ATOM 1706 OG SER A 110 16.295 -0.410 4.983 1.00 0.00 O ATOM 0 H SER A 110 14.293 -0.244 6.366 1.00 0.00 H new ATOM 0 HA SER A 110 13.928 -0.323 3.522 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.464 -2.273 5.268 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.777 -1.844 3.598 1.00 0.00 H new ATOM 0 HG SER A 110 16.377 -0.434 5.959 1.00 0.00 H new ATOM 1712 N PRO A 111 12.860 -2.624 3.032 1.00 0.00 N ATOM 1713 CA PRO A 111 11.935 -3.723 2.739 1.00 0.00 C ATOM 1714 C PRO A 111 12.057 -4.887 3.722 1.00 0.00 C ATOM 1715 O PRO A 111 11.062 -5.343 4.284 1.00 0.00 O ATOM 1716 CB PRO A 111 12.344 -4.181 1.344 1.00 0.00 C ATOM 1717 CG PRO A 111 13.037 -3.023 0.717 1.00 0.00 C ATOM 1718 CD PRO A 111 13.567 -2.157 1.827 1.00 0.00 C ATOM 0 HA PRO A 111 10.899 -3.392 2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 111 13.003 -5.048 1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.473 -4.477 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 111 13.850 -3.364 0.076 1.00 0.00 H new ATOM 0 HG3 PRO A 111 12.349 -2.460 0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.646 -2.265 1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.370 -1.102 1.635 1.00 0.00 H new ATOM 1726 N GLU A 112 13.281 -5.345 3.947 1.00 0.00 N ATOM 1727 CA GLU A 112 13.518 -6.481 4.831 1.00 0.00 C ATOM 1728 C GLU A 112 13.152 -6.137 6.272 1.00 0.00 C ATOM 1729 O GLU A 112 12.622 -6.973 6.998 1.00 0.00 O ATOM 1730 CB GLU A 112 14.972 -6.972 4.745 1.00 0.00 C ATOM 1731 CG GLU A 112 16.019 -5.869 4.774 1.00 0.00 C ATOM 1732 CD GLU A 112 16.275 -5.269 3.406 1.00 0.00 C ATOM 1733 OE1 GLU A 112 15.569 -4.319 3.023 1.00 0.00 O ATOM 1734 OE2 GLU A 112 17.185 -5.754 2.702 1.00 0.00 O ATOM 0 H GLU A 112 14.124 -4.949 3.531 1.00 0.00 H new ATOM 0 HA GLU A 112 12.873 -7.293 4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.160 -7.654 5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.094 -7.545 3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.694 -5.083 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.952 -6.270 5.171 1.00 0.00 H new ATOM 1741 N GLU A 113 13.411 -4.898 6.673 1.00 0.00 N ATOM 1742 CA GLU A 113 13.054 -4.439 8.007 1.00 0.00 C ATOM 1743 C GLU A 113 11.537 -4.383 8.155 1.00 0.00 C ATOM 1744 O GLU A 113 10.990 -4.733 9.198 1.00 0.00 O ATOM 1745 CB GLU A 113 13.635 -3.048 8.268 1.00 0.00 C ATOM 1746 CG GLU A 113 15.117 -2.928 7.963 1.00 0.00 C ATOM 1747 CD GLU A 113 15.682 -1.578 8.365 1.00 0.00 C ATOM 1748 OE1 GLU A 113 15.629 -0.633 7.548 1.00 0.00 O ATOM 1749 OE2 GLU A 113 16.179 -1.453 9.502 1.00 0.00 O ATOM 0 H GLU A 113 13.867 -4.194 6.092 1.00 0.00 H new ATOM 0 HA GLU A 113 13.466 -5.142 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.091 -2.320 7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.468 -2.786 9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.658 -3.716 8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.280 -3.084 6.897 1.00 0.00 H new ATOM 1756 N ALA A 114 10.869 -3.956 7.088 1.00 0.00 N ATOM 1757 CA ALA A 114 9.424 -3.766 7.095 1.00 0.00 C ATOM 1758 C ALA A 114 8.686 -5.063 7.404 1.00 0.00 C ATOM 1759 O ALA A 114 7.782 -5.088 8.239 1.00 0.00 O ATOM 1760 CB ALA A 114 8.964 -3.201 5.756 1.00 0.00 C ATOM 0 H ALA A 114 11.313 -3.733 6.197 1.00 0.00 H new ATOM 0 HA ALA A 114 9.185 -3.056 7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.883 -3.063 5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.450 -2.241 5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.230 -3.894 4.958 1.00 0.00 H new ATOM 1766 N LEU A 115 9.088 -6.146 6.749 1.00 0.00 N ATOM 1767 CA LEU A 115 8.398 -7.426 6.886 1.00 0.00 C ATOM 1768 C LEU A 115 8.649 -8.046 8.261 1.00 0.00 C ATOM 1769 O LEU A 115 7.927 -8.949 8.685 1.00 0.00 O ATOM 1770 CB LEU A 115 8.841 -8.378 5.766 1.00 0.00 C ATOM 1771 CG LEU A 115 7.724 -9.207 5.105 1.00 0.00 C ATOM 1772 CD1 LEU A 115 7.309 -10.376 5.979 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.515 -8.335 4.805 1.00 0.00 C ATOM 0 H LEU A 115 9.888 -6.165 6.117 1.00 0.00 H new ATOM 0 HA LEU A 115 7.325 -7.253 6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.337 -7.792 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.584 -9.064 6.172 1.00 0.00 H new ATOM 0 HG LEU A 115 8.121 -9.602 4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.519 -10.939 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.167 -11.026 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.942 -10.003 6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.737 -8.939 4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.135 -7.908 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.805 -7.531 4.128 1.00 0.00 H new ATOM 1785 N GLN A 116 9.662 -7.555 8.970 1.00 0.00 N ATOM 1786 CA GLN A 116 9.953 -8.038 10.316 1.00 0.00 C ATOM 1787 C GLN A 116 9.019 -7.396 11.338 1.00 0.00 C ATOM 1788 O GLN A 116 8.995 -7.783 12.507 1.00 0.00 O ATOM 1789 CB GLN A 116 11.404 -7.742 10.694 1.00 0.00 C ATOM 1790 CG GLN A 116 12.421 -8.440 9.809 1.00 0.00 C ATOM 1791 CD GLN A 116 13.848 -8.172 10.246 1.00 0.00 C ATOM 1792 OE1 GLN A 116 14.482 -7.217 9.799 1.00 0.00 O ATOM 1793 NE2 GLN A 116 14.367 -9.022 11.118 1.00 0.00 N ATOM 0 H GLN A 116 10.293 -6.826 8.636 1.00 0.00 H new ATOM 0 HA GLN A 116 9.796 -9.117 10.322 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.571 -6.666 10.644 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.569 -8.043 11.729 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.235 -9.514 9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.291 -8.108 8.779 1.00 0.00 H new ATOM 0 HE21 GLN A 116 13.808 -9.802 11.465 1.00 0.00 H new ATOM 0 HE22 GLN A 116 15.326 -8.897 11.443 1.00 0.00 H new ATOM 1802 N TYR A 117 8.246 -6.420 10.890 1.00 0.00 N ATOM 1803 CA TYR A 117 7.335 -5.703 11.766 1.00 0.00 C ATOM 1804 C TYR A 117 5.910 -6.215 11.599 1.00 0.00 C ATOM 1805 O TYR A 117 5.618 -6.941 10.647 1.00 0.00 O ATOM 1806 CB TYR A 117 7.417 -4.201 11.492 1.00 0.00 C ATOM 1807 CG TYR A 117 8.571 -3.541 12.214 1.00 0.00 C ATOM 1808 CD1 TYR A 117 9.826 -3.467 11.630 1.00 0.00 C ATOM 1809 CD2 TYR A 117 8.408 -3.009 13.487 1.00 0.00 C ATOM 1810 CE1 TYR A 117 10.890 -2.882 12.287 1.00 0.00 C ATOM 1811 CE2 TYR A 117 9.466 -2.418 14.154 1.00 0.00 C ATOM 1812 CZ TYR A 117 10.706 -2.358 13.549 1.00 0.00 C ATOM 1813 OH TYR A 117 11.765 -1.774 14.209 1.00 0.00 O ATOM 0 H TYR A 117 8.232 -6.105 9.920 1.00 0.00 H new ATOM 0 HA TYR A 117 7.631 -5.880 12.800 1.00 0.00 H new ATOM 0 HB2 TYR A 117 7.522 -4.036 10.420 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.484 -3.728 11.797 1.00 0.00 H new ATOM 0 HD1 TYR A 117 9.974 -3.875 10.641 1.00 0.00 H new ATOM 0 HD2 TYR A 117 7.440 -3.058 13.963 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.860 -2.835 11.815 1.00 0.00 H new ATOM 0 HE2 TYR A 117 9.323 -2.006 15.142 1.00 0.00 H new ATOM 0 HH TYR A 117 11.467 -1.454 15.086 1.00 0.00 H new ATOM 1823 N PRO A 118 5.009 -5.866 12.536 1.00 0.00 N ATOM 1824 CA PRO A 118 3.619 -6.323 12.500 1.00 0.00 C ATOM 1825 C PRO A 118 2.817 -5.682 11.370 1.00 0.00 C ATOM 1826 O PRO A 118 2.035 -4.750 11.587 1.00 0.00 O ATOM 1827 CB PRO A 118 3.069 -5.906 13.867 1.00 0.00 C ATOM 1828 CG PRO A 118 3.911 -4.750 14.282 1.00 0.00 C ATOM 1829 CD PRO A 118 5.275 -5.006 13.708 1.00 0.00 C ATOM 0 HA PRO A 118 3.549 -7.394 12.311 1.00 0.00 H new ATOM 0 HB2 PRO A 118 2.018 -5.626 13.801 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.137 -6.722 14.586 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.499 -3.813 13.907 1.00 0.00 H new ATOM 0 HG3 PRO A 118 3.954 -4.668 15.368 1.00 0.00 H new ATOM 0 HD2 PRO A 118 5.768 -4.078 13.419 1.00 0.00 H new ATOM 0 HD3 PRO A 118 5.926 -5.502 14.428 1.00 0.00 H new ATOM 1837 N LEU A 119 3.042 -6.172 10.162 1.00 0.00 N ATOM 1838 CA LEU A 119 2.305 -5.734 8.991 1.00 0.00 C ATOM 1839 C LEU A 119 1.018 -6.538 8.848 1.00 0.00 C ATOM 1840 O LEU A 119 0.937 -7.679 9.305 1.00 0.00 O ATOM 1841 CB LEU A 119 3.168 -5.896 7.737 1.00 0.00 C ATOM 1842 CG LEU A 119 4.262 -4.844 7.542 1.00 0.00 C ATOM 1843 CD1 LEU A 119 5.076 -5.157 6.297 1.00 0.00 C ATOM 1844 CD2 LEU A 119 3.655 -3.456 7.438 1.00 0.00 C ATOM 0 H LEU A 119 3.743 -6.887 9.967 1.00 0.00 H new ATOM 0 HA LEU A 119 2.049 -4.681 9.110 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.637 -6.880 7.766 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.515 -5.880 6.865 1.00 0.00 H new ATOM 0 HG LEU A 119 4.922 -4.868 8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.851 -4.401 6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.540 -6.138 6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.422 -5.157 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.448 -2.721 7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.974 -3.419 6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.106 -3.229 8.352 1.00 0.00 H new ATOM 1856 N ALA A 120 0.014 -5.937 8.224 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.260 -6.608 7.998 1.00 0.00 C ATOM 1858 C ALA A 120 -1.097 -7.753 6.994 1.00 0.00 C ATOM 1859 O ALA A 120 -0.188 -7.732 6.165 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.301 -5.605 7.522 1.00 0.00 C ATOM 0 H ALA A 120 0.057 -4.984 7.864 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.603 -7.038 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.249 -6.116 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.433 -4.831 8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.967 -5.148 6.590 1.00 0.00 H new ATOM 1866 N PRO A 121 -1.987 -8.763 7.049 1.00 0.00 N ATOM 1867 CA PRO A 121 -1.877 -9.982 6.226 1.00 0.00 C ATOM 1868 C PRO A 121 -1.883 -9.723 4.714 1.00 0.00 C ATOM 1869 O PRO A 121 -1.546 -10.607 3.931 1.00 0.00 O ATOM 1870 CB PRO A 121 -3.112 -10.802 6.622 1.00 0.00 C ATOM 1871 CG PRO A 121 -4.040 -9.829 7.261 1.00 0.00 C ATOM 1872 CD PRO A 121 -3.166 -8.811 7.930 1.00 0.00 C ATOM 0 HA PRO A 121 -0.924 -10.479 6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.570 -11.269 5.750 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -2.847 -11.604 7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.688 -9.362 6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.688 -10.324 7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.657 -7.841 8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.901 -9.109 8.944 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.263 -8.523 4.298 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.288 -8.197 2.878 1.00 0.00 C ATOM 1882 C ALA A 122 -1.035 -7.441 2.469 1.00 0.00 C ATOM 1883 O ALA A 122 -0.619 -7.488 1.312 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.520 -7.391 2.536 1.00 0.00 C ATOM 0 H ALA A 122 -2.555 -7.766 4.916 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.319 -9.134 2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.519 -7.158 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.412 -7.968 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.519 -6.464 3.110 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.434 -6.762 3.434 1.00 0.00 N ATOM 1891 CA ASP A 123 0.761 -5.965 3.195 1.00 0.00 C ATOM 1892 C ASP A 123 1.978 -6.871 3.115 1.00 0.00 C ATOM 1893 O ASP A 123 2.967 -6.552 2.455 1.00 0.00 O ATOM 1894 CB ASP A 123 0.950 -4.936 4.317 1.00 0.00 C ATOM 1895 CG ASP A 123 -0.226 -3.981 4.442 1.00 0.00 C ATOM 1896 OD1 ASP A 123 -1.336 -4.448 4.781 1.00 0.00 O ATOM 1897 OD2 ASP A 123 -0.040 -2.764 4.221 1.00 0.00 O ATOM 0 H ASP A 123 -0.758 -6.747 4.401 1.00 0.00 H new ATOM 0 HA ASP A 123 0.645 -5.435 2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.091 -5.458 5.263 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.859 -4.364 4.130 1.00 0.00 H new ATOM 1902 N ILE A 124 1.882 -8.019 3.774 1.00 0.00 N ATOM 1903 CA ILE A 124 2.974 -8.983 3.809 1.00 0.00 C ATOM 1904 C ILE A 124 3.291 -9.520 2.404 1.00 0.00 C ATOM 1905 O ILE A 124 4.411 -9.360 1.932 1.00 0.00 O ATOM 1906 CB ILE A 124 2.662 -10.154 4.773 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.427 -9.626 6.193 1.00 0.00 C ATOM 1908 CG2 ILE A 124 3.794 -11.174 4.762 1.00 0.00 C ATOM 1909 CD1 ILE A 124 1.977 -10.692 7.171 1.00 0.00 C ATOM 0 H ILE A 124 1.053 -8.306 4.295 1.00 0.00 H new ATOM 0 HA ILE A 124 3.854 -8.459 4.182 1.00 0.00 H new ATOM 0 HB ILE A 124 1.753 -10.650 4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.348 -9.174 6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.676 -8.837 6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.556 -11.989 5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.917 -11.570 3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.720 -10.694 5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 124 1.831 -10.245 8.154 1.00 0.00 H new ATOM 0 HD12 ILE A 124 1.039 -11.128 6.827 1.00 0.00 H new ATOM 0 HD13 ILE A 124 2.737 -11.471 7.236 1.00 0.00 H new ATOM 1921 N PRO A 125 2.318 -10.152 1.706 1.00 0.00 N ATOM 1922 CA PRO A 125 2.525 -10.682 0.348 1.00 0.00 C ATOM 1923 C PRO A 125 3.025 -9.623 -0.634 1.00 0.00 C ATOM 1924 O PRO A 125 3.787 -9.926 -1.553 1.00 0.00 O ATOM 1925 CB PRO A 125 1.136 -11.182 -0.078 1.00 0.00 C ATOM 1926 CG PRO A 125 0.185 -10.607 0.913 1.00 0.00 C ATOM 1927 CD PRO A 125 0.957 -10.427 2.183 1.00 0.00 C ATOM 0 HA PRO A 125 3.290 -11.458 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 125 0.894 -10.855 -1.089 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.093 -12.271 -0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.213 -9.655 0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.665 -11.271 1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.565 -9.604 2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.921 -11.320 2.807 1.00 0.00 H new ATOM 1935 N LEU A 126 2.606 -8.380 -0.426 1.00 0.00 N ATOM 1936 CA LEU A 126 2.998 -7.287 -1.299 1.00 0.00 C ATOM 1937 C LEU A 126 4.446 -6.904 -1.054 1.00 0.00 C ATOM 1938 O LEU A 126 5.222 -6.728 -1.992 1.00 0.00 O ATOM 1939 CB LEU A 126 2.078 -6.084 -1.072 1.00 0.00 C ATOM 1940 CG LEU A 126 0.863 -6.014 -1.998 1.00 0.00 C ATOM 1941 CD1 LEU A 126 0.190 -7.368 -2.132 1.00 0.00 C ATOM 1942 CD2 LEU A 126 -0.131 -4.983 -1.492 1.00 0.00 C ATOM 0 H LEU A 126 1.993 -8.107 0.342 1.00 0.00 H new ATOM 0 HA LEU A 126 2.903 -7.612 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.728 -6.103 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.662 -5.172 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 126 1.215 -5.713 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -0.670 -7.283 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.898 -8.087 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.142 -7.708 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.990 -4.946 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.464 -5.259 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.346 -4.003 -1.459 1.00 0.00 H new ATOM 1954 N LEU A 127 4.809 -6.794 0.213 1.00 0.00 N ATOM 1955 CA LEU A 127 6.172 -6.462 0.579 1.00 0.00 C ATOM 1956 C LEU A 127 7.094 -7.633 0.255 1.00 0.00 C ATOM 1957 O LEU A 127 8.221 -7.435 -0.204 1.00 0.00 O ATOM 1958 CB LEU A 127 6.244 -6.091 2.066 1.00 0.00 C ATOM 1959 CG LEU A 127 7.531 -5.390 2.520 1.00 0.00 C ATOM 1960 CD1 LEU A 127 8.683 -6.373 2.666 1.00 0.00 C ATOM 1961 CD2 LEU A 127 7.900 -4.291 1.540 1.00 0.00 C ATOM 0 H LEU A 127 4.178 -6.930 1.003 1.00 0.00 H new ATOM 0 HA LEU A 127 6.502 -5.598 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.399 -5.444 2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.122 -7.001 2.654 1.00 0.00 H new ATOM 0 HG LEU A 127 7.344 -4.951 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.577 -5.840 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.424 -7.130 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.874 -6.855 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.815 -3.800 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.058 -4.723 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.093 -3.560 1.492 1.00 0.00 H new ATOM 1973 N GLU A 128 6.600 -8.848 0.488 1.00 0.00 N ATOM 1974 CA GLU A 128 7.325 -10.068 0.152 1.00 0.00 C ATOM 1975 C GLU A 128 7.832 -10.034 -1.284 1.00 0.00 C ATOM 1976 O GLU A 128 8.985 -10.368 -1.547 1.00 0.00 O ATOM 1977 CB GLU A 128 6.419 -11.287 0.353 1.00 0.00 C ATOM 1978 CG GLU A 128 6.516 -11.907 1.735 1.00 0.00 C ATOM 1979 CD GLU A 128 7.756 -12.758 1.894 1.00 0.00 C ATOM 1980 OE1 GLU A 128 7.690 -13.967 1.575 1.00 0.00 O ATOM 1981 OE2 GLU A 128 8.801 -12.231 2.317 1.00 0.00 O ATOM 0 H GLU A 128 5.688 -9.012 0.914 1.00 0.00 H new ATOM 0 HA GLU A 128 8.187 -10.140 0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.386 -10.993 0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.672 -12.042 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.521 -11.117 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.632 -12.518 1.920 1.00 0.00 H new ATOM 1988 N ALA A 129 6.979 -9.609 -2.209 1.00 0.00 N ATOM 1989 CA ALA A 129 7.369 -9.555 -3.609 1.00 0.00 C ATOM 1990 C ALA A 129 8.177 -8.309 -3.915 1.00 0.00 C ATOM 1991 O ALA A 129 8.908 -8.272 -4.899 1.00 0.00 O ATOM 1992 CB ALA A 129 6.171 -9.621 -4.528 1.00 0.00 C ATOM 0 H ALA A 129 6.026 -9.301 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 129 7.993 -10.430 -3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.505 -9.578 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.633 -10.554 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 129 5.510 -8.779 -4.325 1.00 0.00 H new ATOM 1998 N PHE A 130 8.066 -7.290 -3.076 1.00 0.00 N ATOM 1999 CA PHE A 130 8.809 -6.066 -3.299 1.00 0.00 C ATOM 2000 C PHE A 130 10.268 -6.307 -2.953 1.00 0.00 C ATOM 2001 O PHE A 130 11.170 -5.958 -3.716 1.00 0.00 O ATOM 2002 CB PHE A 130 8.240 -4.926 -2.454 1.00 0.00 C ATOM 2003 CG PHE A 130 8.899 -3.603 -2.718 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.491 -2.817 -3.782 1.00 0.00 C ATOM 2005 CD2 PHE A 130 9.928 -3.149 -1.910 1.00 0.00 C ATOM 2006 CE1 PHE A 130 9.094 -1.603 -4.034 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.537 -1.935 -2.159 1.00 0.00 C ATOM 2008 CZ PHE A 130 10.120 -1.163 -3.221 1.00 0.00 C ATOM 0 H PHE A 130 7.475 -7.288 -2.245 1.00 0.00 H new ATOM 0 HA PHE A 130 8.724 -5.777 -4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 130 7.171 -4.837 -2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.351 -5.175 -1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.691 -3.159 -4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 130 10.258 -3.751 -1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.765 -0.997 -4.865 1.00 0.00 H new ATOM 0 HE2 PHE A 130 11.339 -1.591 -1.522 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.596 -0.214 -3.418 1.00 0.00 H new ATOM 2018 N MET A 131 10.495 -6.919 -1.798 1.00 0.00 N ATOM 2019 CA MET A 131 11.837 -7.304 -1.409 1.00 0.00 C ATOM 2020 C MET A 131 12.334 -8.419 -2.321 1.00 0.00 C ATOM 2021 O MET A 131 13.522 -8.489 -2.621 1.00 0.00 O ATOM 2022 CB MET A 131 11.892 -7.722 0.068 1.00 0.00 C ATOM 2023 CG MET A 131 11.060 -8.947 0.415 1.00 0.00 C ATOM 2024 SD MET A 131 11.120 -9.355 2.172 1.00 0.00 S ATOM 2025 CE MET A 131 12.864 -9.712 2.384 1.00 0.00 C ATOM 0 H MET A 131 9.770 -7.156 -1.121 1.00 0.00 H new ATOM 0 HA MET A 131 12.495 -6.442 -1.520 1.00 0.00 H new ATOM 0 HB2 MET A 131 12.930 -7.917 0.338 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.555 -6.886 0.681 1.00 0.00 H new ATOM 0 HG2 MET A 131 10.025 -8.773 0.122 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.416 -9.799 -0.164 1.00 0.00 H new ATOM 0 HE1 MET A 131 13.008 -10.292 3.296 1.00 0.00 H new ATOM 0 HE2 MET A 131 13.225 -10.284 1.529 1.00 0.00 H new ATOM 0 HE3 MET A 131 13.420 -8.778 2.456 1.00 0.00 H new ATOM 2035 N ALA A 132 11.420 -9.281 -2.782 1.00 0.00 N ATOM 2036 CA ALA A 132 11.746 -10.283 -3.792 1.00 0.00 C ATOM 2037 C ALA A 132 12.252 -9.621 -5.065 1.00 0.00 C ATOM 2038 O ALA A 132 13.206 -10.088 -5.690 1.00 0.00 O ATOM 2039 CB ALA A 132 10.520 -11.140 -4.104 1.00 0.00 C ATOM 0 H ALA A 132 10.450 -9.301 -2.469 1.00 0.00 H new ATOM 0 HA ALA A 132 12.535 -10.921 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.778 -11.883 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 132 10.188 -11.645 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.718 -10.505 -4.480 1.00 0.00 H new ATOM 2045 N LEU A 133 11.622 -8.514 -5.431 1.00 0.00 N ATOM 2046 CA LEU A 133 11.987 -7.786 -6.631 1.00 0.00 C ATOM 2047 C LEU A 133 13.366 -7.164 -6.479 1.00 0.00 C ATOM 2048 O LEU A 133 14.120 -7.077 -7.438 1.00 0.00 O ATOM 2049 CB LEU A 133 10.955 -6.699 -6.935 1.00 0.00 C ATOM 2050 CG LEU A 133 10.143 -6.913 -8.212 1.00 0.00 C ATOM 2051 CD1 LEU A 133 9.350 -8.209 -8.138 1.00 0.00 C ATOM 2052 CD2 LEU A 133 9.223 -5.729 -8.452 1.00 0.00 C ATOM 0 H LEU A 133 10.850 -8.100 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 133 12.009 -8.491 -7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 133 10.266 -6.628 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.470 -5.741 -7.007 1.00 0.00 H new ATOM 0 HG LEU A 133 10.833 -6.991 -9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 133 8.780 -8.340 -9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 133 10.035 -9.048 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 133 8.666 -8.169 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 133 8.650 -5.893 -9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 133 8.540 -5.622 -7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 133 9.818 -4.821 -8.555 1.00 0.00 H new ATOM 2064 N ARG A 134 13.694 -6.724 -5.277 1.00 0.00 N ATOM 2065 CA ARG A 134 15.008 -6.156 -5.022 1.00 0.00 C ATOM 2066 C ARG A 134 16.061 -7.238 -4.795 1.00 0.00 C ATOM 2067 O ARG A 134 17.257 -6.973 -4.896 1.00 0.00 O ATOM 2068 CB ARG A 134 14.956 -5.213 -3.820 1.00 0.00 C ATOM 2069 CG ARG A 134 14.254 -3.894 -4.105 1.00 0.00 C ATOM 2070 CD ARG A 134 14.172 -3.027 -2.860 1.00 0.00 C ATOM 2071 NE ARG A 134 15.480 -2.847 -2.225 1.00 0.00 N ATOM 2072 CZ ARG A 134 15.766 -1.876 -1.353 1.00 0.00 C ATOM 2073 NH1 ARG A 134 14.891 -0.906 -1.112 1.00 0.00 N ATOM 2074 NH2 ARG A 134 16.949 -1.854 -0.756 1.00 0.00 N ATOM 0 H ARG A 134 13.075 -6.748 -4.467 1.00 0.00 H new ATOM 0 HA ARG A 134 15.298 -5.593 -5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.446 -5.715 -2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.973 -5.008 -3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 134 14.789 -3.358 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 134 13.250 -4.089 -4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 134 13.761 -2.053 -3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 134 13.483 -3.481 -2.148 1.00 0.00 H new ATOM 0 HE ARG A 134 16.221 -3.506 -2.464 1.00 0.00 H new ATOM 0 HH11 ARG A 134 13.992 -0.898 -1.594 1.00 0.00 H new ATOM 0 HH12 ARG A 134 15.118 -0.169 -0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 134 17.638 -2.577 -0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 134 17.170 -1.114 -0.090 1.00 0.00 H new ATOM 2088 N ALA A 135 15.621 -8.453 -4.495 1.00 0.00 N ATOM 2089 CA ALA A 135 16.544 -9.560 -4.260 1.00 0.00 C ATOM 2090 C ALA A 135 16.917 -10.245 -5.570 1.00 0.00 C ATOM 2091 O ALA A 135 18.047 -10.698 -5.752 1.00 0.00 O ATOM 2092 CB ALA A 135 15.935 -10.562 -3.292 1.00 0.00 C ATOM 0 H ALA A 135 14.635 -8.698 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 135 17.454 -9.155 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.635 -11.381 -3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 135 15.724 -10.069 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 135 15.009 -10.955 -3.711 1.00 0.00 H new ATOM 2098 N ALA A 136 15.958 -10.315 -6.483 1.00 0.00 N ATOM 2099 CA ALA A 136 16.188 -10.914 -7.790 1.00 0.00 C ATOM 2100 C ALA A 136 16.553 -9.841 -8.807 1.00 0.00 C ATOM 2101 O ALA A 136 17.370 -10.068 -9.700 1.00 0.00 O ATOM 2102 CB ALA A 136 14.958 -11.686 -8.247 1.00 0.00 C ATOM 0 H ALA A 136 15.011 -9.963 -6.342 1.00 0.00 H new ATOM 0 HA ALA A 136 17.021 -11.612 -7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 136 15.148 -12.127 -9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 136 14.737 -12.476 -7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 136 14.107 -11.008 -8.313 1.00 0.00 H new ATOM 2108 N ARG A 137 15.947 -8.667 -8.639 1.00 0.00 N ATOM 2109 CA ARG A 137 16.139 -7.527 -9.536 1.00 0.00 C ATOM 2110 C ARG A 137 15.800 -7.881 -10.978 1.00 0.00 C ATOM 2111 O ARG A 137 16.660 -8.328 -11.737 1.00 0.00 O ATOM 2112 CB ARG A 137 17.558 -6.965 -9.435 1.00 0.00 C ATOM 2113 CG ARG A 137 17.821 -6.220 -8.137 1.00 0.00 C ATOM 2114 CD ARG A 137 16.874 -5.038 -7.966 1.00 0.00 C ATOM 2115 NE ARG A 137 17.051 -4.032 -9.012 1.00 0.00 N ATOM 2116 CZ ARG A 137 16.091 -3.205 -9.431 1.00 0.00 C ATOM 2117 NH1 ARG A 137 14.872 -3.264 -8.903 1.00 0.00 N ATOM 2118 NH2 ARG A 137 16.354 -2.317 -10.381 1.00 0.00 N ATOM 0 H ARG A 137 15.304 -8.478 -7.870 1.00 0.00 H new ATOM 0 HA ARG A 137 15.446 -6.750 -9.213 1.00 0.00 H new ATOM 0 HB2 ARG A 137 18.272 -7.783 -9.527 1.00 0.00 H new ATOM 0 HB3 ARG A 137 17.735 -6.292 -10.274 1.00 0.00 H new ATOM 0 HG2 ARG A 137 17.707 -6.903 -7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 137 18.852 -5.866 -8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 137 15.844 -5.395 -7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 137 17.041 -4.579 -6.991 1.00 0.00 H new ATOM 0 HE ARG A 137 17.969 -3.957 -9.451 1.00 0.00 H new ATOM 0 HH11 ARG A 137 14.665 -3.945 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 137 14.144 -2.628 -9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 137 17.288 -2.268 -10.789 1.00 0.00 H new ATOM 0 HH22 ARG A 137 15.623 -1.683 -10.704 1.00 0.00 H new ATOM 2132 N PRO A 138 14.520 -7.705 -11.358 1.00 0.00 N ATOM 2133 CA PRO A 138 14.053 -7.951 -12.723 1.00 0.00 C ATOM 2134 C PRO A 138 14.795 -7.106 -13.738 1.00 0.00 C ATOM 2135 O PRO A 138 14.601 -5.892 -13.831 1.00 0.00 O ATOM 2136 CB PRO A 138 12.577 -7.562 -12.679 1.00 0.00 C ATOM 2137 CG PRO A 138 12.212 -7.719 -11.251 1.00 0.00 C ATOM 2138 CD PRO A 138 13.420 -7.268 -10.486 1.00 0.00 C ATOM 0 HA PRO A 138 14.219 -8.984 -13.030 1.00 0.00 H new ATOM 0 HB2 PRO A 138 12.423 -6.539 -13.021 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.974 -8.206 -13.319 1.00 0.00 H new ATOM 0 HG2 PRO A 138 11.339 -7.117 -10.999 1.00 0.00 H new ATOM 0 HG3 PRO A 138 11.963 -8.755 -11.020 1.00 0.00 H new ATOM 0 HD2 PRO A 138 13.426 -6.189 -10.333 1.00 0.00 H new ATOM 0 HD3 PRO A 138 13.474 -7.730 -9.500 1.00 0.00 H new ATOM 2146 N ALA A 139 15.657 -7.761 -14.480 1.00 0.00 N ATOM 2147 CA ALA A 139 16.473 -7.091 -15.475 1.00 0.00 C ATOM 2148 C ALA A 139 16.297 -7.748 -16.832 1.00 0.00 C ATOM 2149 O ALA A 139 16.976 -7.405 -17.799 1.00 0.00 O ATOM 2150 CB ALA A 139 17.930 -7.113 -15.046 1.00 0.00 C ATOM 0 H ALA A 139 15.815 -8.767 -14.415 1.00 0.00 H new ATOM 0 HA ALA A 139 16.152 -6.053 -15.560 1.00 0.00 H new ATOM 0 HB1 ALA A 139 18.538 -6.609 -15.797 1.00 0.00 H new ATOM 0 HB2 ALA A 139 18.035 -6.601 -14.090 1.00 0.00 H new ATOM 0 HB3 ALA A 139 18.263 -8.146 -14.943 1.00 0.00 H new ATOM 2156 N ASP A 140 15.380 -8.695 -16.893 1.00 0.00 N ATOM 2157 CA ASP A 140 15.100 -9.413 -18.124 1.00 0.00 C ATOM 2158 C ASP A 140 13.643 -9.841 -18.135 1.00 0.00 C ATOM 2159 O ASP A 140 13.343 -10.959 -17.671 1.00 0.00 O ATOM 2160 CB ASP A 140 16.023 -10.631 -18.261 1.00 0.00 C ATOM 2161 CG ASP A 140 15.781 -11.407 -19.542 1.00 0.00 C ATOM 2162 OD1 ASP A 140 15.988 -10.841 -20.636 1.00 0.00 O ATOM 2163 OD2 ASP A 140 15.390 -12.590 -19.459 1.00 0.00 O ATOM 2164 OXT ASP A 140 12.791 -9.031 -18.547 1.00 0.00 O ATOM 0 H ASP A 140 14.812 -8.987 -16.098 1.00 0.00 H new ATOM 0 HA ASP A 140 15.287 -8.756 -18.973 1.00 0.00 H new ATOM 0 HB2 ASP A 140 17.061 -10.300 -18.232 1.00 0.00 H new ATOM 0 HB3 ASP A 140 15.875 -11.292 -17.407 1.00 0.00 H new TER 2169 ASP A 140