USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 922 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 66 HIS : no HD1:sc= -0.165 K(o=-0.16,f=-0.84) USER MOD Set 1.2: A 67 ASN : amide:sc= 0 X(o=-0.16,f=-0.1) USER MOD Set 2.1: A 51 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0726 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0012 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0704) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.00277 USER MOD Single : A 24 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.67! C(o=-1.7!,f=-1.6!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 150:sc= -2.45 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.832 F(o=-4!,f=-0.83) USER MOD Single : A 61 THR OG1 : rot 180:sc= -2.7 USER MOD Single : A 62 THR OG1 : rot 130:sc= -0.0774 USER MOD Single : A 64 GLN : amide:sc= -0.0165 X(o=-0.016,f=-0.056) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-0.62) USER MOD Single : A 74 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.18) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -140:sc= 0.124 (180deg=-0.305) USER MOD Single : A 83 LYS NZ :NH3+ -165:sc=-0.00824 (180deg=-0.159) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 94 CYS SG : rot -75:sc= 0.912 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc=-0.00628 X(o=-0.0063,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 108 THR OG1 : rot -73:sc= 1.1 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.151 9.633 -39.928 1.00 0.00 N ATOM 2 CA GLY A 1 23.725 9.407 -39.788 1.00 0.00 C ATOM 3 C GLY A 1 23.318 9.146 -38.351 1.00 0.00 C ATOM 4 O GLY A 1 24.158 8.825 -37.510 1.00 0.00 O ATOM 0 H1 GLY A 1 25.318 10.609 -40.247 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.618 9.484 -39.011 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.541 8.968 -40.627 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.184 10.275 -40.164 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.432 8.558 -40.405 1.00 0.00 H new ATOM 8 N SER A 2 22.027 9.286 -38.068 1.00 0.00 N ATOM 9 CA SER A 2 21.511 9.069 -36.721 1.00 0.00 C ATOM 10 C SER A 2 19.995 8.906 -36.741 1.00 0.00 C ATOM 11 O SER A 2 19.280 9.712 -37.334 1.00 0.00 O ATOM 12 CB SER A 2 21.899 10.234 -35.810 1.00 0.00 C ATOM 13 OG SER A 2 21.374 10.058 -34.506 1.00 0.00 O ATOM 0 H SER A 2 21.319 9.549 -38.753 1.00 0.00 H new ATOM 0 HA SER A 2 21.952 8.151 -36.332 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.985 10.315 -35.760 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.529 11.168 -36.232 1.00 0.00 H new ATOM 0 HG SER A 2 21.637 10.815 -33.942 1.00 0.00 H new ATOM 19 N SER A 3 19.511 7.855 -36.085 1.00 0.00 N ATOM 20 CA SER A 3 18.079 7.583 -36.029 1.00 0.00 C ATOM 21 C SER A 3 17.681 7.050 -34.656 1.00 0.00 C ATOM 22 O SER A 3 18.535 6.702 -33.841 1.00 0.00 O ATOM 23 CB SER A 3 17.688 6.577 -37.113 1.00 0.00 C ATOM 24 OG SER A 3 16.285 6.565 -37.315 1.00 0.00 O ATOM 0 H SER A 3 20.089 7.179 -35.586 1.00 0.00 H new ATOM 0 HA SER A 3 17.548 8.519 -36.203 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.191 6.830 -38.046 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.026 5.581 -36.828 1.00 0.00 H new ATOM 0 HG SER A 3 16.061 5.915 -38.014 1.00 0.00 H new ATOM 30 N GLY A 4 16.376 6.989 -34.407 1.00 0.00 N ATOM 31 CA GLY A 4 15.887 6.498 -33.132 1.00 0.00 C ATOM 32 C GLY A 4 14.896 5.361 -33.291 1.00 0.00 C ATOM 33 O GLY A 4 14.484 5.038 -34.404 1.00 0.00 O ATOM 0 H GLY A 4 15.649 7.271 -35.065 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.730 6.160 -32.529 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.413 7.316 -32.588 1.00 0.00 H new ATOM 37 N SER A 5 14.516 4.750 -32.173 1.00 0.00 N ATOM 38 CA SER A 5 13.572 3.639 -32.194 1.00 0.00 C ATOM 39 C SER A 5 12.672 3.667 -30.962 1.00 0.00 C ATOM 40 O SER A 5 12.837 4.509 -30.079 1.00 0.00 O ATOM 41 CB SER A 5 14.322 2.306 -32.260 1.00 0.00 C ATOM 42 OG SER A 5 15.224 2.174 -31.176 1.00 0.00 O ATOM 0 H SER A 5 14.847 5.005 -31.243 1.00 0.00 H new ATOM 0 HA SER A 5 12.948 3.742 -33.082 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.608 1.482 -32.245 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.867 2.238 -33.201 1.00 0.00 H new ATOM 0 HG SER A 5 15.689 1.314 -31.240 1.00 0.00 H new ATOM 48 N SER A 6 11.721 2.740 -30.909 1.00 0.00 N ATOM 49 CA SER A 6 10.792 2.661 -29.788 1.00 0.00 C ATOM 50 C SER A 6 11.259 1.627 -28.768 1.00 0.00 C ATOM 51 O SER A 6 12.271 0.956 -28.966 1.00 0.00 O ATOM 52 CB SER A 6 9.390 2.304 -30.285 1.00 0.00 C ATOM 53 OG SER A 6 8.791 3.402 -30.953 1.00 0.00 O ATOM 0 H SER A 6 11.574 2.033 -31.629 1.00 0.00 H new ATOM 0 HA SER A 6 10.762 3.637 -29.304 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.446 1.450 -30.960 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.768 2.003 -29.442 1.00 0.00 H new ATOM 0 HG SER A 6 7.897 3.148 -31.263 1.00 0.00 H new ATOM 59 N GLY A 7 10.514 1.506 -27.674 1.00 0.00 N ATOM 60 CA GLY A 7 10.867 0.554 -26.638 1.00 0.00 C ATOM 61 C GLY A 7 10.691 -0.884 -27.086 1.00 0.00 C ATOM 62 O GLY A 7 9.574 -1.323 -27.360 1.00 0.00 O ATOM 0 H GLY A 7 9.672 2.050 -27.487 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.903 0.714 -26.340 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.250 0.735 -25.758 1.00 0.00 H new ATOM 66 N GLU A 8 11.796 -1.618 -27.164 1.00 0.00 N ATOM 67 CA GLU A 8 11.758 -3.013 -27.585 1.00 0.00 C ATOM 68 C GLU A 8 10.702 -3.788 -26.804 1.00 0.00 C ATOM 69 O GLU A 8 10.003 -3.230 -25.959 1.00 0.00 O ATOM 70 CB GLU A 8 13.129 -3.664 -27.394 1.00 0.00 C ATOM 71 CG GLU A 8 14.079 -3.437 -28.559 1.00 0.00 C ATOM 72 CD GLU A 8 15.128 -4.526 -28.678 1.00 0.00 C ATOM 73 OE1 GLU A 8 15.725 -4.889 -27.643 1.00 0.00 O ATOM 74 OE2 GLU A 8 15.353 -5.014 -29.805 1.00 0.00 O ATOM 0 H GLU A 8 12.728 -1.270 -26.941 1.00 0.00 H new ATOM 0 HA GLU A 8 11.495 -3.040 -28.643 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.584 -3.273 -26.484 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.996 -4.736 -27.249 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.506 -3.387 -29.485 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.573 -2.473 -28.437 1.00 0.00 H new ATOM 81 N VAL A 9 10.590 -5.082 -27.094 1.00 0.00 N ATOM 82 CA VAL A 9 9.620 -5.936 -26.419 1.00 0.00 C ATOM 83 C VAL A 9 9.431 -5.512 -24.966 1.00 0.00 C ATOM 84 O VAL A 9 10.348 -5.629 -24.151 1.00 0.00 O ATOM 85 CB VAL A 9 10.049 -7.414 -26.460 1.00 0.00 C ATOM 86 CG1 VAL A 9 9.818 -8.000 -27.844 1.00 0.00 C ATOM 87 CG2 VAL A 9 11.507 -7.557 -26.049 1.00 0.00 C ATOM 0 H VAL A 9 11.159 -5.561 -27.792 1.00 0.00 H new ATOM 0 HA VAL A 9 8.676 -5.825 -26.952 1.00 0.00 H new ATOM 0 HB VAL A 9 9.438 -7.971 -25.750 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.127 -9.045 -27.853 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.760 -7.933 -28.096 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.401 -7.443 -28.577 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.793 -8.608 -26.084 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.135 -6.987 -26.733 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.638 -7.178 -25.035 1.00 0.00 H new ATOM 97 N LEU A 10 8.239 -5.021 -24.649 1.00 0.00 N ATOM 98 CA LEU A 10 7.929 -4.580 -23.292 1.00 0.00 C ATOM 99 C LEU A 10 6.615 -5.186 -22.810 1.00 0.00 C ATOM 100 O LEU A 10 5.537 -4.688 -23.130 1.00 0.00 O ATOM 101 CB LEU A 10 7.852 -3.054 -23.237 1.00 0.00 C ATOM 102 CG LEU A 10 8.266 -2.409 -21.914 1.00 0.00 C ATOM 103 CD1 LEU A 10 7.931 -0.925 -21.915 1.00 0.00 C ATOM 104 CD2 LEU A 10 7.588 -3.109 -20.744 1.00 0.00 C ATOM 0 H LEU A 10 7.471 -4.918 -25.312 1.00 0.00 H new ATOM 0 HA LEU A 10 8.727 -4.921 -22.633 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.483 -2.649 -24.029 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.828 -2.753 -23.460 1.00 0.00 H new ATOM 0 HG LEU A 10 9.345 -2.517 -21.802 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.233 -0.483 -20.965 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.462 -0.433 -22.729 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.857 -0.794 -22.051 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.894 -2.637 -19.811 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.506 -3.032 -20.852 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.878 -4.160 -20.731 1.00 0.00 H new ATOM 116 N ALA A 11 6.714 -6.262 -22.037 1.00 0.00 N ATOM 117 CA ALA A 11 5.534 -6.933 -21.507 1.00 0.00 C ATOM 118 C ALA A 11 5.497 -6.857 -19.984 1.00 0.00 C ATOM 119 O ALA A 11 4.643 -7.469 -19.342 1.00 0.00 O ATOM 120 CB ALA A 11 5.500 -8.384 -21.966 1.00 0.00 C ATOM 0 H ALA A 11 7.600 -6.688 -21.764 1.00 0.00 H new ATOM 0 HA ALA A 11 4.652 -6.421 -21.892 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.613 -8.873 -21.562 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.471 -8.421 -23.055 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.392 -8.899 -21.610 1.00 0.00 H new ATOM 126 N LYS A 12 6.428 -6.103 -19.411 1.00 0.00 N ATOM 127 CA LYS A 12 6.503 -5.945 -17.964 1.00 0.00 C ATOM 128 C LYS A 12 6.097 -4.535 -17.547 1.00 0.00 C ATOM 129 O LYS A 12 6.585 -4.010 -16.548 1.00 0.00 O ATOM 130 CB LYS A 12 7.919 -6.246 -17.469 1.00 0.00 C ATOM 131 CG LYS A 12 8.926 -5.161 -17.808 1.00 0.00 C ATOM 132 CD LYS A 12 9.638 -5.449 -19.119 1.00 0.00 C ATOM 133 CE LYS A 12 10.821 -6.384 -18.917 1.00 0.00 C ATOM 134 NZ LYS A 12 11.976 -5.688 -18.286 1.00 0.00 N ATOM 0 H LYS A 12 7.143 -5.591 -19.928 1.00 0.00 H new ATOM 0 HA LYS A 12 5.808 -6.653 -17.512 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.895 -6.383 -16.388 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.254 -7.189 -17.902 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.417 -4.199 -17.873 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.659 -5.080 -17.005 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.937 -5.895 -19.825 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.983 -4.514 -19.560 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.518 -7.224 -18.292 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.127 -6.796 -19.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.817 -6.298 -18.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.164 -4.799 -18.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.755 -5.481 -17.291 1.00 0.00 H new ATOM 148 N GLU A 13 5.203 -3.929 -18.322 1.00 0.00 N ATOM 149 CA GLU A 13 4.731 -2.579 -18.032 1.00 0.00 C ATOM 150 C GLU A 13 3.784 -2.580 -16.835 1.00 0.00 C ATOM 151 O GLU A 13 4.003 -1.864 -15.858 1.00 0.00 O ATOM 152 CB GLU A 13 4.027 -1.988 -19.254 1.00 0.00 C ATOM 153 CG GLU A 13 4.975 -1.341 -20.249 1.00 0.00 C ATOM 154 CD GLU A 13 4.295 -0.287 -21.101 1.00 0.00 C ATOM 155 OE1 GLU A 13 3.667 -0.657 -22.115 1.00 0.00 O ATOM 156 OE2 GLU A 13 4.393 0.910 -20.754 1.00 0.00 O ATOM 0 H GLU A 13 4.791 -4.350 -19.155 1.00 0.00 H new ATOM 0 HA GLU A 13 5.596 -1.963 -17.788 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.468 -2.777 -19.758 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.301 -1.246 -18.921 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.807 -0.887 -19.710 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.397 -2.110 -20.896 1.00 0.00 H new ATOM 163 N GLU A 14 2.732 -3.387 -16.921 1.00 0.00 N ATOM 164 CA GLU A 14 1.750 -3.478 -15.846 1.00 0.00 C ATOM 165 C GLU A 14 1.081 -4.849 -15.835 1.00 0.00 C ATOM 166 O GLU A 14 0.868 -5.456 -16.885 1.00 0.00 O ATOM 167 CB GLU A 14 0.692 -2.384 -15.997 1.00 0.00 C ATOM 168 CG GLU A 14 0.110 -1.913 -14.675 1.00 0.00 C ATOM 169 CD GLU A 14 1.105 -1.122 -13.847 1.00 0.00 C ATOM 170 OE1 GLU A 14 1.198 0.107 -14.045 1.00 0.00 O ATOM 171 OE2 GLU A 14 1.791 -1.734 -13.001 1.00 0.00 O ATOM 0 H GLU A 14 2.537 -3.987 -17.723 1.00 0.00 H new ATOM 0 HA GLU A 14 2.272 -3.340 -14.899 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.134 -1.532 -16.514 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.115 -2.756 -16.628 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.768 -1.296 -14.868 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.227 -2.777 -14.103 1.00 0.00 H new ATOM 178 N ALA A 15 0.752 -5.331 -14.642 1.00 0.00 N ATOM 179 CA ALA A 15 0.105 -6.630 -14.494 1.00 0.00 C ATOM 180 C ALA A 15 -1.273 -6.488 -13.858 1.00 0.00 C ATOM 181 O ALA A 15 -1.459 -5.705 -12.925 1.00 0.00 O ATOM 182 CB ALA A 15 0.978 -7.562 -13.666 1.00 0.00 C ATOM 0 H ALA A 15 0.922 -4.842 -13.763 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.026 -7.059 -15.487 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.484 -8.528 -13.563 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.939 -7.697 -14.163 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.138 -7.129 -12.678 1.00 0.00 H new ATOM 188 N ARG A 16 -2.236 -7.248 -14.367 1.00 0.00 N ATOM 189 CA ARG A 16 -3.598 -7.205 -13.850 1.00 0.00 C ATOM 190 C ARG A 16 -3.823 -8.307 -12.819 1.00 0.00 C ATOM 191 O ARG A 16 -4.811 -8.291 -12.084 1.00 0.00 O ATOM 192 CB ARG A 16 -4.606 -7.346 -14.992 1.00 0.00 C ATOM 193 CG ARG A 16 -4.851 -8.787 -15.412 1.00 0.00 C ATOM 194 CD ARG A 16 -3.697 -9.331 -16.239 1.00 0.00 C ATOM 195 NE ARG A 16 -4.138 -10.344 -17.193 1.00 0.00 N ATOM 196 CZ ARG A 16 -4.950 -10.091 -18.212 1.00 0.00 C ATOM 197 NH1 ARG A 16 -5.408 -8.862 -18.409 1.00 0.00 N ATOM 198 NH2 ARG A 16 -5.306 -11.066 -19.039 1.00 0.00 N ATOM 0 H ARG A 16 -2.098 -7.902 -15.138 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.744 -6.241 -13.364 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.552 -6.899 -14.688 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.249 -6.781 -15.853 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.989 -9.407 -14.526 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.774 -8.847 -15.989 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.218 -8.512 -16.775 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.946 -9.760 -15.576 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.803 -11.300 -17.070 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.136 -8.109 -17.777 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.032 -8.670 -19.193 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.955 -12.013 -18.892 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.930 -10.869 -19.821 1.00 0.00 H new ATOM 212 N ARG A 17 -2.901 -9.263 -12.772 1.00 0.00 N ATOM 213 CA ARG A 17 -2.999 -10.374 -11.833 1.00 0.00 C ATOM 214 C ARG A 17 -2.607 -9.933 -10.426 1.00 0.00 C ATOM 215 O ARG A 17 -1.816 -10.594 -9.756 1.00 0.00 O ATOM 216 CB ARG A 17 -2.108 -11.531 -12.284 1.00 0.00 C ATOM 217 CG ARG A 17 -2.810 -12.522 -13.197 1.00 0.00 C ATOM 218 CD ARG A 17 -2.904 -11.996 -14.621 1.00 0.00 C ATOM 219 NE ARG A 17 -2.987 -13.077 -15.599 1.00 0.00 N ATOM 220 CZ ARG A 17 -4.033 -13.888 -15.713 1.00 0.00 C ATOM 221 NH1 ARG A 17 -5.080 -13.741 -14.913 1.00 0.00 N ATOM 222 NH2 ARG A 17 -4.033 -14.848 -16.628 1.00 0.00 N ATOM 0 H ARG A 17 -2.078 -9.290 -13.373 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.036 -10.710 -11.814 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.238 -11.127 -12.801 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.740 -12.059 -11.404 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.270 -13.469 -13.192 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.811 -12.724 -12.816 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.781 -11.355 -14.714 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.033 -11.378 -14.837 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.198 -13.217 -16.230 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.084 -13.004 -14.208 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.882 -14.365 -15.003 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.229 -14.964 -17.245 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.837 -15.470 -16.715 1.00 0.00 H new ATOM 236 N ALA A 18 -3.167 -8.810 -9.985 1.00 0.00 N ATOM 237 CA ALA A 18 -2.877 -8.283 -8.657 1.00 0.00 C ATOM 238 C ALA A 18 -3.896 -8.776 -7.636 1.00 0.00 C ATOM 239 O ALA A 18 -4.579 -7.980 -6.991 1.00 0.00 O ATOM 240 CB ALA A 18 -2.852 -6.761 -8.689 1.00 0.00 C ATOM 0 H ALA A 18 -3.823 -8.249 -10.528 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.895 -8.646 -8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.634 -6.380 -7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.081 -6.424 -9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.822 -6.388 -9.016 1.00 0.00 H new ATOM 246 N LEU A 19 -3.993 -10.093 -7.493 1.00 0.00 N ATOM 247 CA LEU A 19 -4.928 -10.693 -6.548 1.00 0.00 C ATOM 248 C LEU A 19 -4.376 -10.646 -5.128 1.00 0.00 C ATOM 249 O LEU A 19 -4.914 -9.954 -4.265 1.00 0.00 O ATOM 250 CB LEU A 19 -5.226 -12.141 -6.945 1.00 0.00 C ATOM 251 CG LEU A 19 -6.333 -12.340 -7.980 1.00 0.00 C ATOM 252 CD1 LEU A 19 -5.772 -12.235 -9.390 1.00 0.00 C ATOM 253 CD2 LEU A 19 -7.017 -13.684 -7.776 1.00 0.00 C ATOM 0 H LEU A 19 -3.436 -10.766 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.853 -10.117 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.310 -12.586 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.494 -12.695 -6.045 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.074 -11.552 -7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.575 -12.379 -10.113 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.328 -11.250 -9.533 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.010 -13.001 -9.536 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.802 -13.809 -8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.285 -14.485 -7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.454 -13.722 -6.778 1.00 0.00 H new ATOM 265 N GLU A 20 -3.295 -11.385 -4.894 1.00 0.00 N ATOM 266 CA GLU A 20 -2.669 -11.426 -3.578 1.00 0.00 C ATOM 267 C GLU A 20 -2.562 -10.025 -2.983 1.00 0.00 C ATOM 268 O GLU A 20 -2.952 -9.792 -1.839 1.00 0.00 O ATOM 269 CB GLU A 20 -1.280 -12.060 -3.670 1.00 0.00 C ATOM 270 CG GLU A 20 -1.309 -13.573 -3.811 1.00 0.00 C ATOM 271 CD GLU A 20 -0.124 -14.110 -4.589 1.00 0.00 C ATOM 272 OE1 GLU A 20 0.126 -13.613 -5.708 1.00 0.00 O ATOM 273 OE2 GLU A 20 0.555 -15.027 -4.081 1.00 0.00 O ATOM 0 H GLU A 20 -2.836 -11.962 -5.598 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.295 -12.033 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.751 -11.634 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.710 -11.798 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.323 -14.026 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.231 -13.870 -4.310 1.00 0.00 H new ATOM 280 N THR A 21 -2.029 -9.094 -3.768 1.00 0.00 N ATOM 281 CA THR A 21 -1.868 -7.716 -3.320 1.00 0.00 C ATOM 282 C THR A 21 -2.100 -6.735 -4.464 1.00 0.00 C ATOM 283 O THR A 21 -1.842 -7.032 -5.630 1.00 0.00 O ATOM 284 CB THR A 21 -0.466 -7.478 -2.730 1.00 0.00 C ATOM 285 OG1 THR A 21 0.435 -7.057 -3.761 1.00 0.00 O ATOM 286 CG2 THR A 21 0.066 -8.740 -2.070 1.00 0.00 C ATOM 0 H THR A 21 -1.701 -9.269 -4.718 1.00 0.00 H new ATOM 0 HA THR A 21 -2.614 -7.547 -2.544 1.00 0.00 H new ATOM 0 HB THR A 21 -0.543 -6.697 -1.974 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.324 -6.906 -3.377 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.058 -8.546 -1.661 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.606 -9.041 -1.266 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.128 -9.539 -2.809 1.00 0.00 H new ATOM 294 N PRO A 22 -2.599 -5.537 -4.125 1.00 0.00 N ATOM 295 CA PRO A 22 -2.875 -4.488 -5.110 1.00 0.00 C ATOM 296 C PRO A 22 -1.600 -3.898 -5.703 1.00 0.00 C ATOM 297 O PRO A 22 -0.525 -3.998 -5.111 1.00 0.00 O ATOM 298 CB PRO A 22 -3.626 -3.429 -4.298 1.00 0.00 C ATOM 299 CG PRO A 22 -3.176 -3.638 -2.894 1.00 0.00 C ATOM 300 CD PRO A 22 -2.930 -5.114 -2.753 1.00 0.00 C ATOM 0 HA PRO A 22 -3.435 -4.868 -5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.389 -2.423 -4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.705 -3.551 -4.390 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.269 -3.070 -2.686 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.933 -3.299 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.114 -5.321 -2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.810 -5.634 -2.373 1.00 0.00 H new ATOM 308 N SER A 23 -1.726 -3.284 -6.875 1.00 0.00 N ATOM 309 CA SER A 23 -0.582 -2.682 -7.549 1.00 0.00 C ATOM 310 C SER A 23 0.117 -1.677 -6.640 1.00 0.00 C ATOM 311 O SER A 23 1.341 -1.699 -6.497 1.00 0.00 O ATOM 312 CB SER A 23 -1.029 -1.994 -8.840 1.00 0.00 C ATOM 313 OG SER A 23 -1.871 -2.840 -9.605 1.00 0.00 O ATOM 0 H SER A 23 -2.609 -3.190 -7.377 1.00 0.00 H new ATOM 0 HA SER A 23 0.124 -3.476 -7.794 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.557 -1.071 -8.600 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.155 -1.717 -9.429 1.00 0.00 H new ATOM 0 HG SER A 23 -2.144 -2.376 -10.424 1.00 0.00 H new ATOM 319 N CYS A 24 -0.666 -0.796 -6.028 1.00 0.00 N ATOM 320 CA CYS A 24 -0.124 0.219 -5.133 1.00 0.00 C ATOM 321 C CYS A 24 0.902 -0.388 -4.180 1.00 0.00 C ATOM 322 O CYS A 24 1.955 0.197 -3.930 1.00 0.00 O ATOM 323 CB CYS A 24 -1.249 0.881 -4.336 1.00 0.00 C ATOM 324 SG CYS A 24 -2.345 -0.287 -3.497 1.00 0.00 S ATOM 0 H CYS A 24 -1.680 -0.764 -6.136 1.00 0.00 H new ATOM 0 HA CYS A 24 0.373 0.975 -5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.810 1.548 -3.594 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.842 1.499 -5.010 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.262 0.368 -2.848 1.00 0.00 H new ATOM 330 N PHE A 25 0.584 -1.565 -3.650 1.00 0.00 N ATOM 331 CA PHE A 25 1.476 -2.250 -2.722 1.00 0.00 C ATOM 332 C PHE A 25 2.920 -2.191 -3.212 1.00 0.00 C ATOM 333 O PHE A 25 3.177 -2.058 -4.409 1.00 0.00 O ATOM 334 CB PHE A 25 1.044 -3.708 -2.550 1.00 0.00 C ATOM 335 CG PHE A 25 1.901 -4.478 -1.587 1.00 0.00 C ATOM 336 CD1 PHE A 25 3.115 -5.011 -1.991 1.00 0.00 C ATOM 337 CD2 PHE A 25 1.495 -4.668 -0.275 1.00 0.00 C ATOM 338 CE1 PHE A 25 3.905 -5.720 -1.107 1.00 0.00 C ATOM 339 CE2 PHE A 25 2.281 -5.376 0.614 1.00 0.00 C ATOM 340 CZ PHE A 25 3.489 -5.902 0.198 1.00 0.00 C ATOM 0 H PHE A 25 -0.284 -2.063 -3.847 1.00 0.00 H new ATOM 0 HA PHE A 25 1.416 -1.744 -1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.010 -3.734 -2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.068 -4.203 -3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.447 -4.870 -3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.553 -4.257 0.056 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.848 -6.132 -1.436 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.952 -5.518 1.633 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.107 -6.454 0.891 1.00 0.00 H new ATOM 350 N LEU A 26 3.860 -2.288 -2.277 1.00 0.00 N ATOM 351 CA LEU A 26 5.278 -2.245 -2.612 1.00 0.00 C ATOM 352 C LEU A 26 6.103 -3.020 -1.589 1.00 0.00 C ATOM 353 O LEU A 26 5.705 -3.161 -0.432 1.00 0.00 O ATOM 354 CB LEU A 26 5.763 -0.795 -2.680 1.00 0.00 C ATOM 355 CG LEU A 26 4.927 0.228 -1.911 1.00 0.00 C ATOM 356 CD1 LEU A 26 5.001 -0.038 -0.415 1.00 0.00 C ATOM 357 CD2 LEU A 26 5.392 1.642 -2.227 1.00 0.00 C ATOM 0 H LEU A 26 3.665 -2.397 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 26 5.409 -2.712 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.785 -0.757 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.798 -0.493 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 26 3.888 0.130 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.400 0.700 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.619 -1.037 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.037 0.032 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.786 2.357 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.438 1.753 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.286 1.830 -3.295 1.00 0.00 H new ATOM 369 N LYS A 27 7.256 -3.518 -2.021 1.00 0.00 N ATOM 370 CA LYS A 27 8.140 -4.277 -1.144 1.00 0.00 C ATOM 371 C LYS A 27 9.314 -3.419 -0.681 1.00 0.00 C ATOM 372 O LYS A 27 10.247 -3.164 -1.443 1.00 0.00 O ATOM 373 CB LYS A 27 8.658 -5.525 -1.862 1.00 0.00 C ATOM 374 CG LYS A 27 7.607 -6.608 -2.033 1.00 0.00 C ATOM 375 CD LYS A 27 6.734 -6.349 -3.250 1.00 0.00 C ATOM 376 CE LYS A 27 5.870 -7.557 -3.582 1.00 0.00 C ATOM 377 NZ LYS A 27 5.208 -7.417 -4.909 1.00 0.00 N ATOM 0 H LYS A 27 7.601 -3.410 -2.975 1.00 0.00 H new ATOM 0 HA LYS A 27 7.567 -4.582 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.036 -5.239 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.500 -5.933 -1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.095 -7.577 -2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.984 -6.656 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.097 -5.484 -3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.363 -6.104 -4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.486 -8.457 -3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.112 -7.685 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.629 -8.260 -5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.601 -6.573 -4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.932 -7.321 -5.650 1.00 0.00 H new ATOM 391 N VAL A 28 9.262 -2.979 0.571 1.00 0.00 N ATOM 392 CA VAL A 28 10.322 -2.153 1.136 1.00 0.00 C ATOM 393 C VAL A 28 10.477 -2.403 2.632 1.00 0.00 C ATOM 394 O VAL A 28 9.692 -3.138 3.233 1.00 0.00 O ATOM 395 CB VAL A 28 10.050 -0.655 0.904 1.00 0.00 C ATOM 396 CG1 VAL A 28 9.754 -0.387 -0.565 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.902 -0.179 1.782 1.00 0.00 C ATOM 0 H VAL A 28 8.497 -3.181 1.214 1.00 0.00 H new ATOM 0 HA VAL A 28 11.244 -2.431 0.627 1.00 0.00 H new ATOM 0 HB VAL A 28 10.944 -0.095 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.564 0.677 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.609 -0.689 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.876 -0.957 -0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.724 0.882 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.001 -0.743 1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.157 -0.334 2.830 1.00 0.00 H new ATOM 407 N SER A 29 11.494 -1.789 3.228 1.00 0.00 N ATOM 408 CA SER A 29 11.754 -1.948 4.653 1.00 0.00 C ATOM 409 C SER A 29 10.818 -1.070 5.478 1.00 0.00 C ATOM 410 O SER A 29 10.234 -0.114 4.967 1.00 0.00 O ATOM 411 CB SER A 29 13.209 -1.599 4.970 1.00 0.00 C ATOM 412 OG SER A 29 13.567 -2.031 6.271 1.00 0.00 O ATOM 0 H SER A 29 12.152 -1.177 2.745 1.00 0.00 H new ATOM 0 HA SER A 29 11.572 -2.990 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.866 -2.065 4.235 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.353 -0.522 4.889 1.00 0.00 H new ATOM 0 HG SER A 29 14.502 -1.797 6.448 1.00 0.00 H new ATOM 418 N ARG A 30 10.678 -1.402 6.757 1.00 0.00 N ATOM 419 CA ARG A 30 9.812 -0.646 7.654 1.00 0.00 C ATOM 420 C ARG A 30 10.255 0.812 7.735 1.00 0.00 C ATOM 421 O ARG A 30 9.437 1.727 7.636 1.00 0.00 O ATOM 422 CB ARG A 30 9.817 -1.271 9.050 1.00 0.00 C ATOM 423 CG ARG A 30 8.863 -2.445 9.195 1.00 0.00 C ATOM 424 CD ARG A 30 9.511 -3.747 8.751 1.00 0.00 C ATOM 425 NE ARG A 30 10.652 -4.105 9.589 1.00 0.00 N ATOM 426 CZ ARG A 30 11.532 -5.047 9.269 1.00 0.00 C ATOM 427 NH1 ARG A 30 11.402 -5.724 8.135 1.00 0.00 N ATOM 428 NH2 ARG A 30 12.545 -5.314 10.083 1.00 0.00 N ATOM 0 H ARG A 30 11.154 -2.190 7.196 1.00 0.00 H new ATOM 0 HA ARG A 30 8.799 -0.678 7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.828 -1.604 9.286 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.554 -0.507 9.782 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.546 -2.531 10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.967 -2.262 8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.773 -4.548 8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.837 -3.655 7.715 1.00 0.00 H new ATOM 0 HE ARG A 30 10.780 -3.604 10.468 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.625 -5.521 7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.079 -6.447 7.892 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.648 -4.796 10.955 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.220 -6.038 9.836 1.00 0.00 H new ATOM 442 N LEU A 31 11.554 1.021 7.918 1.00 0.00 N ATOM 443 CA LEU A 31 12.107 2.367 8.015 1.00 0.00 C ATOM 444 C LEU A 31 12.189 3.022 6.639 1.00 0.00 C ATOM 445 O LEU A 31 12.197 4.246 6.524 1.00 0.00 O ATOM 446 CB LEU A 31 13.495 2.326 8.656 1.00 0.00 C ATOM 447 CG LEU A 31 13.549 1.854 10.109 1.00 0.00 C ATOM 448 CD1 LEU A 31 13.517 0.335 10.179 1.00 0.00 C ATOM 449 CD2 LEU A 31 14.792 2.396 10.800 1.00 0.00 C ATOM 0 H LEU A 31 12.244 0.275 8.002 1.00 0.00 H new ATOM 0 HA LEU A 31 11.442 2.961 8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.130 1.672 8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.927 3.325 8.603 1.00 0.00 H new ATOM 0 HG LEU A 31 12.672 2.239 10.629 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.556 0.018 11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.597 -0.031 9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.375 -0.072 9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 31 14.814 2.050 11.833 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.682 2.041 10.280 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.772 3.486 10.783 1.00 0.00 H new ATOM 461 N GLU A 32 12.248 2.196 5.599 1.00 0.00 N ATOM 462 CA GLU A 32 12.328 2.696 4.232 1.00 0.00 C ATOM 463 C GLU A 32 10.990 3.278 3.786 1.00 0.00 C ATOM 464 O GLU A 32 10.900 4.454 3.436 1.00 0.00 O ATOM 465 CB GLU A 32 12.750 1.574 3.279 1.00 0.00 C ATOM 466 CG GLU A 32 14.253 1.357 3.223 1.00 0.00 C ATOM 467 CD GLU A 32 14.655 0.325 2.187 1.00 0.00 C ATOM 468 OE1 GLU A 32 14.432 -0.879 2.431 1.00 0.00 O ATOM 469 OE2 GLU A 32 15.191 0.724 1.132 1.00 0.00 O ATOM 0 H GLU A 32 12.242 1.179 5.677 1.00 0.00 H new ATOM 0 HA GLU A 32 13.077 3.488 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.269 0.646 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.387 1.804 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.745 2.303 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.607 1.039 4.204 1.00 0.00 H new ATOM 476 N ALA A 33 9.954 2.447 3.802 1.00 0.00 N ATOM 477 CA ALA A 33 8.621 2.880 3.402 1.00 0.00 C ATOM 478 C ALA A 33 8.372 4.331 3.799 1.00 0.00 C ATOM 479 O ALA A 33 7.919 5.137 2.987 1.00 0.00 O ATOM 480 CB ALA A 33 7.564 1.974 4.019 1.00 0.00 C ATOM 0 H ALA A 33 10.012 1.470 4.088 1.00 0.00 H new ATOM 0 HA ALA A 33 8.555 2.811 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.573 2.309 3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.721 0.949 3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.640 2.014 5.106 1.00 0.00 H new ATOM 486 N GLN A 34 8.672 4.656 5.053 1.00 0.00 N ATOM 487 CA GLN A 34 8.479 6.011 5.557 1.00 0.00 C ATOM 488 C GLN A 34 9.111 7.035 4.620 1.00 0.00 C ATOM 489 O GLN A 34 8.413 7.830 3.989 1.00 0.00 O ATOM 490 CB GLN A 34 9.076 6.147 6.958 1.00 0.00 C ATOM 491 CG GLN A 34 8.532 7.332 7.740 1.00 0.00 C ATOM 492 CD GLN A 34 8.844 8.659 7.079 1.00 0.00 C ATOM 493 OE1 GLN A 34 9.974 9.144 7.136 1.00 0.00 O ATOM 494 NE2 GLN A 34 7.841 9.256 6.446 1.00 0.00 N ATOM 0 H GLN A 34 9.049 4.001 5.738 1.00 0.00 H new ATOM 0 HA GLN A 34 7.407 6.204 5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.880 5.232 7.518 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.158 6.244 6.875 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.452 7.228 7.846 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.953 7.323 8.745 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.920 8.819 6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.992 10.152 5.982 1.00 0.00 H new ATOM 503 N LEU A 35 10.437 7.011 4.535 1.00 0.00 N ATOM 504 CA LEU A 35 11.165 7.939 3.675 1.00 0.00 C ATOM 505 C LEU A 35 10.687 7.832 2.231 1.00 0.00 C ATOM 506 O LEU A 35 10.671 8.820 1.496 1.00 0.00 O ATOM 507 CB LEU A 35 12.668 7.661 3.749 1.00 0.00 C ATOM 508 CG LEU A 35 13.206 6.622 2.764 1.00 0.00 C ATOM 509 CD1 LEU A 35 13.355 7.227 1.377 1.00 0.00 C ATOM 510 CD2 LEU A 35 14.536 6.066 3.251 1.00 0.00 C ATOM 0 H LEU A 35 11.030 6.360 5.050 1.00 0.00 H new ATOM 0 HA LEU A 35 10.971 8.952 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.199 8.598 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.907 7.332 4.760 1.00 0.00 H new ATOM 0 HG LEU A 35 12.491 5.801 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.739 6.473 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.384 7.576 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.049 8.066 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.905 5.328 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.259 6.877 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.399 5.594 4.224 1.00 0.00 H new ATOM 522 N LEU A 36 10.294 6.629 1.830 1.00 0.00 N ATOM 523 CA LEU A 36 9.811 6.392 0.474 1.00 0.00 C ATOM 524 C LEU A 36 8.862 7.502 0.033 1.00 0.00 C ATOM 525 O LEU A 36 8.675 7.735 -1.161 1.00 0.00 O ATOM 526 CB LEU A 36 9.106 5.038 0.391 1.00 0.00 C ATOM 527 CG LEU A 36 9.185 4.321 -0.958 1.00 0.00 C ATOM 528 CD1 LEU A 36 10.570 3.728 -1.165 1.00 0.00 C ATOM 529 CD2 LEU A 36 8.120 3.238 -1.050 1.00 0.00 C ATOM 0 H LEU A 36 10.300 5.801 2.425 1.00 0.00 H new ATOM 0 HA LEU A 36 10.671 6.387 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.529 4.383 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.055 5.182 0.642 1.00 0.00 H new ATOM 0 HG LEU A 36 9.002 5.050 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.609 3.222 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.314 4.525 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.782 3.012 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.191 2.739 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.272 2.510 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.133 3.689 -0.946 1.00 0.00 H new ATOM 541 N LEU A 37 8.266 8.184 1.005 1.00 0.00 N ATOM 542 CA LEU A 37 7.337 9.270 0.718 1.00 0.00 C ATOM 543 C LEU A 37 8.086 10.540 0.330 1.00 0.00 C ATOM 544 O LEU A 37 7.849 11.112 -0.733 1.00 0.00 O ATOM 545 CB LEU A 37 6.446 9.541 1.932 1.00 0.00 C ATOM 546 CG LEU A 37 5.600 8.364 2.420 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.720 8.787 3.586 1.00 0.00 C ATOM 548 CD2 LEU A 37 4.753 7.809 1.284 1.00 0.00 C ATOM 0 H LEU A 37 8.410 8.004 1.999 1.00 0.00 H new ATOM 0 HA LEU A 37 6.713 8.967 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.079 9.874 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.778 10.367 1.690 1.00 0.00 H new ATOM 0 HG LEU A 37 6.271 7.577 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.125 7.937 3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.347 9.136 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.057 9.591 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.158 6.972 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.091 8.589 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.403 7.467 0.479 1.00 0.00 H new ATOM 560 N GLU A 38 8.995 10.973 1.198 1.00 0.00 N ATOM 561 CA GLU A 38 9.781 12.175 0.945 1.00 0.00 C ATOM 562 C GLU A 38 10.438 12.116 -0.431 1.00 0.00 C ATOM 563 O GLU A 38 10.718 13.148 -1.042 1.00 0.00 O ATOM 564 CB GLU A 38 10.851 12.348 2.025 1.00 0.00 C ATOM 565 CG GLU A 38 11.953 11.303 1.964 1.00 0.00 C ATOM 566 CD GLU A 38 13.285 11.829 2.461 1.00 0.00 C ATOM 567 OE1 GLU A 38 14.030 12.418 1.649 1.00 0.00 O ATOM 568 OE2 GLU A 38 13.583 11.653 3.660 1.00 0.00 O ATOM 0 H GLU A 38 9.205 10.510 2.082 1.00 0.00 H new ATOM 0 HA GLU A 38 9.107 13.031 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.296 13.339 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.376 12.306 3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.662 10.439 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.064 10.957 0.936 1.00 0.00 H new ATOM 575 N ARG A 39 10.677 10.902 -0.914 1.00 0.00 N ATOM 576 CA ARG A 39 11.301 10.707 -2.217 1.00 0.00 C ATOM 577 C ARG A 39 10.262 10.764 -3.332 1.00 0.00 C ATOM 578 O ARG A 39 10.504 11.342 -4.392 1.00 0.00 O ATOM 579 CB ARG A 39 12.036 9.365 -2.259 1.00 0.00 C ATOM 580 CG ARG A 39 13.386 9.388 -1.560 1.00 0.00 C ATOM 581 CD ARG A 39 14.154 8.096 -1.791 1.00 0.00 C ATOM 582 NE ARG A 39 15.530 8.184 -1.309 1.00 0.00 N ATOM 583 CZ ARG A 39 16.483 8.873 -1.925 1.00 0.00 C ATOM 584 NH1 ARG A 39 16.210 9.532 -3.044 1.00 0.00 N ATOM 585 NH2 ARG A 39 17.711 8.905 -1.425 1.00 0.00 N ATOM 0 H ARG A 39 10.448 10.038 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 39 12.019 11.512 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.410 8.603 -1.796 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.180 9.071 -3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.972 10.231 -1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.241 9.540 -0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.644 7.276 -1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.157 7.861 -2.855 1.00 0.00 H new ATOM 0 HE ARG A 39 15.772 7.688 -0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.267 9.510 -3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.943 10.061 -3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.925 8.399 -0.565 1.00 0.00 H new ATOM 0 HH22 ARG A 39 18.441 9.435 -1.900 1.00 0.00 H new ATOM 599 N TYR A 40 9.103 10.161 -3.085 1.00 0.00 N ATOM 600 CA TYR A 40 8.027 10.142 -4.069 1.00 0.00 C ATOM 601 C TYR A 40 6.729 10.670 -3.467 1.00 0.00 C ATOM 602 O TYR A 40 5.711 9.980 -3.419 1.00 0.00 O ATOM 603 CB TYR A 40 7.817 8.722 -4.597 1.00 0.00 C ATOM 604 CG TYR A 40 9.088 8.060 -5.078 1.00 0.00 C ATOM 605 CD1 TYR A 40 9.956 7.446 -4.183 1.00 0.00 C ATOM 606 CD2 TYR A 40 9.422 8.049 -6.426 1.00 0.00 C ATOM 607 CE1 TYR A 40 11.120 6.841 -4.616 1.00 0.00 C ATOM 608 CE2 TYR A 40 10.583 7.444 -6.869 1.00 0.00 C ATOM 609 CZ TYR A 40 11.428 6.841 -5.961 1.00 0.00 C ATOM 610 OH TYR A 40 12.585 6.240 -6.398 1.00 0.00 O ATOM 0 H TYR A 40 8.885 9.680 -2.212 1.00 0.00 H new ATOM 0 HA TYR A 40 8.313 10.792 -4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.376 8.112 -3.809 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.100 8.751 -5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.716 7.442 -3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.763 8.521 -7.140 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.785 6.371 -3.906 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.827 7.443 -7.921 1.00 0.00 H new ATOM 0 HH TYR A 40 12.652 6.328 -7.372 1.00 0.00 H new ATOM 620 N PRO A 41 6.765 11.926 -2.996 1.00 0.00 N ATOM 621 CA PRO A 41 5.599 12.577 -2.389 1.00 0.00 C ATOM 622 C PRO A 41 4.511 12.887 -3.412 1.00 0.00 C ATOM 623 O PRO A 41 3.391 13.244 -3.050 1.00 0.00 O ATOM 624 CB PRO A 41 6.177 13.873 -1.815 1.00 0.00 C ATOM 625 CG PRO A 41 7.384 14.151 -2.643 1.00 0.00 C ATOM 626 CD PRO A 41 7.944 12.807 -3.021 1.00 0.00 C ATOM 0 HA PRO A 41 5.118 11.942 -1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.457 14.689 -1.878 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.437 13.758 -0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.124 14.729 -3.530 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.115 14.735 -2.084 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.409 12.828 -4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.707 12.477 -2.316 1.00 0.00 H new ATOM 634 N GLU A 42 4.848 12.747 -4.690 1.00 0.00 N ATOM 635 CA GLU A 42 3.898 13.013 -5.764 1.00 0.00 C ATOM 636 C GLU A 42 3.183 11.732 -6.187 1.00 0.00 C ATOM 637 O GLU A 42 2.144 11.777 -6.846 1.00 0.00 O ATOM 638 CB GLU A 42 4.613 13.632 -6.966 1.00 0.00 C ATOM 639 CG GLU A 42 5.808 12.825 -7.446 1.00 0.00 C ATOM 640 CD GLU A 42 6.272 13.236 -8.829 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.493 13.068 -9.790 1.00 0.00 O ATOM 642 OE2 GLU A 42 7.415 13.727 -8.951 1.00 0.00 O ATOM 0 H GLU A 42 5.771 12.451 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 42 3.155 13.718 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.903 13.736 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.946 14.636 -6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.630 12.946 -6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.547 11.767 -7.454 1.00 0.00 H new ATOM 649 N CYS A 43 3.750 10.593 -5.806 1.00 0.00 N ATOM 650 CA CYS A 43 3.169 9.298 -6.147 1.00 0.00 C ATOM 651 C CYS A 43 2.019 8.954 -5.207 1.00 0.00 C ATOM 652 O CYS A 43 1.057 8.296 -5.601 1.00 0.00 O ATOM 653 CB CYS A 43 4.236 8.205 -6.088 1.00 0.00 C ATOM 654 SG CYS A 43 4.478 7.497 -4.442 1.00 0.00 S ATOM 0 H CYS A 43 4.611 10.539 -5.261 1.00 0.00 H new ATOM 0 HA CYS A 43 2.778 9.359 -7.163 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.962 7.407 -6.778 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.183 8.617 -6.437 1.00 0.00 H new ATOM 0 HG CYS A 43 4.846 6.255 -4.554 1.00 0.00 H new ATOM 660 N GLY A 44 2.126 9.403 -3.959 1.00 0.00 N ATOM 661 CA GLY A 44 1.089 9.131 -2.981 1.00 0.00 C ATOM 662 C GLY A 44 1.640 8.984 -1.577 1.00 0.00 C ATOM 663 O GLY A 44 2.846 9.098 -1.362 1.00 0.00 O ATOM 0 H GLY A 44 2.912 9.950 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.357 9.939 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.563 8.218 -3.259 1.00 0.00 H new ATOM 667 N ASN A 45 0.754 8.732 -0.619 1.00 0.00 N ATOM 668 CA ASN A 45 1.159 8.572 0.774 1.00 0.00 C ATOM 669 C ASN A 45 0.670 7.240 1.332 1.00 0.00 C ATOM 670 O ASN A 45 1.264 6.686 2.259 1.00 0.00 O ATOM 671 CB ASN A 45 0.615 9.724 1.620 1.00 0.00 C ATOM 672 CG ASN A 45 -0.897 9.699 1.728 1.00 0.00 C ATOM 673 OD1 ASN A 45 -1.412 8.868 2.628 1.00 0.00 O flip ATOM 674 ND2 ASN A 45 -1.594 10.416 1.010 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.248 8.634 -0.781 1.00 0.00 H new ATOM 0 HA ASN A 45 2.248 8.584 0.814 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.049 9.674 2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.930 10.672 1.183 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.155 11.039 0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.610 10.387 1.093 1.00 0.00 H new ATOM 681 N LEU A 46 -0.417 6.729 0.763 1.00 0.00 N ATOM 682 CA LEU A 46 -0.988 5.461 1.204 1.00 0.00 C ATOM 683 C LEU A 46 -0.239 4.284 0.588 1.00 0.00 C ATOM 684 O LEU A 46 -0.592 3.807 -0.493 1.00 0.00 O ATOM 685 CB LEU A 46 -2.469 5.389 0.833 1.00 0.00 C ATOM 686 CG LEU A 46 -3.120 4.009 0.934 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.520 3.711 2.371 1.00 0.00 C ATOM 688 CD2 LEU A 46 -4.329 3.921 0.014 1.00 0.00 C ATOM 0 H LEU A 46 -0.920 7.174 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.889 5.404 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.018 6.076 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.585 5.749 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.392 3.262 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.982 2.725 2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.635 3.731 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.231 4.463 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.780 2.932 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.059 4.678 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.015 4.089 -1.016 1.00 0.00 H new ATOM 700 N LEU A 47 0.794 3.818 1.280 1.00 0.00 N ATOM 701 CA LEU A 47 1.592 2.694 0.801 1.00 0.00 C ATOM 702 C LEU A 47 1.460 1.496 1.736 1.00 0.00 C ATOM 703 O LEU A 47 1.282 1.654 2.944 1.00 0.00 O ATOM 704 CB LEU A 47 3.062 3.101 0.680 1.00 0.00 C ATOM 705 CG LEU A 47 3.869 3.098 1.979 1.00 0.00 C ATOM 706 CD1 LEU A 47 4.512 1.739 2.204 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.926 4.193 1.953 1.00 0.00 C ATOM 0 H LEU A 47 1.099 4.201 2.175 1.00 0.00 H new ATOM 0 HA LEU A 47 1.219 2.408 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.547 2.428 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.107 4.102 0.250 1.00 0.00 H new ATOM 0 HG LEU A 47 3.189 3.297 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.082 1.756 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.737 0.976 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.179 1.510 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.491 4.176 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.603 4.025 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.442 5.163 1.840 1.00 0.00 H new ATOM 719 N LEU A 48 1.551 0.297 1.169 1.00 0.00 N ATOM 720 CA LEU A 48 1.444 -0.929 1.952 1.00 0.00 C ATOM 721 C LEU A 48 2.712 -1.768 1.825 1.00 0.00 C ATOM 722 O LEU A 48 2.994 -2.327 0.764 1.00 0.00 O ATOM 723 CB LEU A 48 0.231 -1.743 1.498 1.00 0.00 C ATOM 724 CG LEU A 48 -1.129 -1.057 1.638 1.00 0.00 C ATOM 725 CD1 LEU A 48 -1.394 -0.150 0.446 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.235 -2.091 1.781 1.00 0.00 C ATOM 0 H LEU A 48 1.699 0.148 0.171 1.00 0.00 H new ATOM 0 HA LEU A 48 1.317 -0.653 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.372 -2.015 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.208 -2.671 2.069 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.115 -0.443 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.366 0.330 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.617 0.613 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.389 -0.742 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.195 -1.585 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.251 -2.731 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.052 -2.699 2.667 1.00 0.00 H new ATOM 738 N ARG A 49 3.470 -1.854 2.912 1.00 0.00 N ATOM 739 CA ARG A 49 4.707 -2.626 2.922 1.00 0.00 C ATOM 740 C ARG A 49 4.486 -3.999 3.552 1.00 0.00 C ATOM 741 O ARG A 49 3.621 -4.184 4.409 1.00 0.00 O ATOM 742 CB ARG A 49 5.797 -1.873 3.685 1.00 0.00 C ATOM 743 CG ARG A 49 5.587 -1.857 5.190 1.00 0.00 C ATOM 744 CD ARG A 49 4.721 -0.682 5.618 1.00 0.00 C ATOM 745 NE ARG A 49 4.965 -0.299 7.007 1.00 0.00 N ATOM 746 CZ ARG A 49 4.075 0.336 7.761 1.00 0.00 C ATOM 747 NH1 ARG A 49 2.889 0.659 7.264 1.00 0.00 N ATOM 748 NH2 ARG A 49 4.371 0.650 9.016 1.00 0.00 N ATOM 0 H ARG A 49 3.250 -1.399 3.798 1.00 0.00 H new ATOM 0 HA ARG A 49 5.027 -2.766 1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.763 -2.329 3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.840 -0.846 3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.118 -2.790 5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.552 -1.801 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.918 0.170 4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.670 -0.942 5.493 1.00 0.00 H new ATOM 0 HE ARG A 49 5.868 -0.532 7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.658 0.420 6.300 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.208 1.147 7.846 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.282 0.404 9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.687 1.138 9.595 1.00 0.00 H new ATOM 762 N PRO A 50 5.285 -4.986 3.118 1.00 0.00 N ATOM 763 CA PRO A 50 5.196 -6.357 3.626 1.00 0.00 C ATOM 764 C PRO A 50 5.672 -6.473 5.070 1.00 0.00 C ATOM 765 O PRO A 50 6.799 -6.098 5.393 1.00 0.00 O ATOM 766 CB PRO A 50 6.121 -7.142 2.692 1.00 0.00 C ATOM 767 CG PRO A 50 7.094 -6.132 2.188 1.00 0.00 C ATOM 768 CD PRO A 50 6.337 -4.836 2.099 1.00 0.00 C ATOM 0 HA PRO A 50 4.169 -6.722 3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.627 -7.949 3.222 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.564 -7.598 1.874 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.946 -6.041 2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.488 -6.422 1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.979 -3.980 2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.915 -4.684 1.105 1.00 0.00 H new ATOM 776 N SER A 51 4.807 -6.995 5.933 1.00 0.00 N ATOM 777 CA SER A 51 5.139 -7.157 7.345 1.00 0.00 C ATOM 778 C SER A 51 5.513 -8.604 7.651 1.00 0.00 C ATOM 779 O SER A 51 4.649 -9.474 7.746 1.00 0.00 O ATOM 780 CB SER A 51 3.960 -6.727 8.220 1.00 0.00 C ATOM 781 OG SER A 51 4.404 -6.300 9.497 1.00 0.00 O ATOM 0 H SER A 51 3.871 -7.313 5.680 1.00 0.00 H new ATOM 0 HA SER A 51 5.997 -6.523 7.567 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.416 -5.919 7.731 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.264 -7.558 8.332 1.00 0.00 H new ATOM 0 HG SER A 51 3.633 -6.029 10.038 1.00 0.00 H new ATOM 787 N GLY A 52 6.810 -8.853 7.807 1.00 0.00 N ATOM 788 CA GLY A 52 7.278 -10.195 8.101 1.00 0.00 C ATOM 789 C GLY A 52 7.538 -11.006 6.847 1.00 0.00 C ATOM 790 O GLY A 52 7.002 -10.704 5.781 1.00 0.00 O ATOM 0 H GLY A 52 7.545 -8.149 7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.194 -10.136 8.689 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.538 -10.708 8.715 1.00 0.00 H new ATOM 794 N ASP A 53 8.365 -12.039 6.974 1.00 0.00 N ATOM 795 CA ASP A 53 8.696 -12.897 5.842 1.00 0.00 C ATOM 796 C ASP A 53 7.831 -14.152 5.841 1.00 0.00 C ATOM 797 O ASP A 53 7.958 -15.007 6.717 1.00 0.00 O ATOM 798 CB ASP A 53 10.176 -13.281 5.882 1.00 0.00 C ATOM 799 CG ASP A 53 10.663 -13.846 4.563 1.00 0.00 C ATOM 800 OD1 ASP A 53 10.295 -14.994 4.237 1.00 0.00 O ATOM 801 OD2 ASP A 53 11.413 -13.141 3.855 1.00 0.00 O ATOM 0 H ASP A 53 8.818 -12.302 7.849 1.00 0.00 H new ATOM 0 HA ASP A 53 8.498 -12.341 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.769 -12.403 6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.336 -14.016 6.670 1.00 0.00 H new ATOM 806 N GLY A 54 6.950 -14.257 4.850 1.00 0.00 N ATOM 807 CA GLY A 54 6.075 -15.412 4.754 1.00 0.00 C ATOM 808 C GLY A 54 5.012 -15.425 5.833 1.00 0.00 C ATOM 809 O GLY A 54 5.082 -16.216 6.775 1.00 0.00 O ATOM 0 H GLY A 54 6.827 -13.563 4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.595 -15.420 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.671 -16.322 4.824 1.00 0.00 H new ATOM 813 N ALA A 55 4.024 -14.546 5.700 1.00 0.00 N ATOM 814 CA ALA A 55 2.940 -14.459 6.672 1.00 0.00 C ATOM 815 C ALA A 55 1.715 -13.782 6.068 1.00 0.00 C ATOM 816 O ALA A 55 1.783 -13.204 4.983 1.00 0.00 O ATOM 817 CB ALA A 55 3.403 -13.711 7.913 1.00 0.00 C ATOM 0 H ALA A 55 3.952 -13.883 4.928 1.00 0.00 H new ATOM 0 HA ALA A 55 2.658 -15.472 6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.584 -13.654 8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.243 -14.239 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.714 -12.704 7.636 1.00 0.00 H new ATOM 823 N ASP A 56 0.594 -13.858 6.778 1.00 0.00 N ATOM 824 CA ASP A 56 -0.647 -13.250 6.312 1.00 0.00 C ATOM 825 C ASP A 56 -0.871 -11.895 6.975 1.00 0.00 C ATOM 826 O ASP A 56 -1.988 -11.560 7.366 1.00 0.00 O ATOM 827 CB ASP A 56 -1.831 -14.174 6.602 1.00 0.00 C ATOM 828 CG ASP A 56 -1.929 -15.318 5.612 1.00 0.00 C ATOM 829 OD1 ASP A 56 -1.064 -16.218 5.656 1.00 0.00 O ATOM 830 OD2 ASP A 56 -2.871 -15.314 4.792 1.00 0.00 O ATOM 0 H ASP A 56 0.519 -14.334 7.677 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.567 -13.099 5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.735 -14.577 7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.754 -13.595 6.577 1.00 0.00 H new ATOM 835 N GLY A 57 0.201 -11.118 7.097 1.00 0.00 N ATOM 836 CA GLY A 57 0.101 -9.807 7.714 1.00 0.00 C ATOM 837 C GLY A 57 0.712 -8.716 6.857 1.00 0.00 C ATOM 838 O GLY A 57 1.762 -8.911 6.246 1.00 0.00 O ATOM 0 H GLY A 57 1.137 -11.372 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.948 -9.575 7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.599 -9.826 8.683 1.00 0.00 H new ATOM 842 N VAL A 58 0.051 -7.563 6.810 1.00 0.00 N ATOM 843 CA VAL A 58 0.536 -6.437 6.022 1.00 0.00 C ATOM 844 C VAL A 58 0.346 -5.121 6.769 1.00 0.00 C ATOM 845 O VAL A 58 -0.606 -4.960 7.533 1.00 0.00 O ATOM 846 CB VAL A 58 -0.186 -6.351 4.664 1.00 0.00 C ATOM 847 CG1 VAL A 58 0.267 -5.118 3.896 1.00 0.00 C ATOM 848 CG2 VAL A 58 0.058 -7.613 3.851 1.00 0.00 C ATOM 0 H VAL A 58 -0.821 -7.385 7.308 1.00 0.00 H new ATOM 0 HA VAL A 58 1.599 -6.605 5.851 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.257 -6.264 4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.253 -5.074 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.038 -4.224 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.342 -5.172 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.459 -7.535 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.127 -7.732 3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.319 -8.477 4.398 1.00 0.00 H new ATOM 858 N SER A 59 1.258 -4.182 6.543 1.00 0.00 N ATOM 859 CA SER A 59 1.194 -2.879 7.198 1.00 0.00 C ATOM 860 C SER A 59 0.881 -1.779 6.189 1.00 0.00 C ATOM 861 O SER A 59 1.087 -1.946 4.987 1.00 0.00 O ATOM 862 CB SER A 59 2.515 -2.576 7.908 1.00 0.00 C ATOM 863 OG SER A 59 2.655 -3.358 9.081 1.00 0.00 O ATOM 0 H SER A 59 2.051 -4.298 5.911 1.00 0.00 H new ATOM 0 HA SER A 59 0.392 -2.909 7.936 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.348 -2.775 7.233 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.559 -1.518 8.165 1.00 0.00 H new ATOM 0 HG SER A 59 3.508 -3.147 9.515 1.00 0.00 H new ATOM 869 N VAL A 60 0.381 -0.653 6.687 1.00 0.00 N ATOM 870 CA VAL A 60 0.040 0.477 5.831 1.00 0.00 C ATOM 871 C VAL A 60 0.573 1.784 6.407 1.00 0.00 C ATOM 872 O VAL A 60 0.275 2.141 7.547 1.00 0.00 O ATOM 873 CB VAL A 60 -1.484 0.596 5.640 1.00 0.00 C ATOM 874 CG1 VAL A 60 -1.815 1.736 4.689 1.00 0.00 C ATOM 875 CG2 VAL A 60 -2.062 -0.716 5.135 1.00 0.00 C ATOM 0 H VAL A 60 0.203 -0.499 7.679 1.00 0.00 H new ATOM 0 HA VAL A 60 0.507 0.293 4.863 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.938 0.817 6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.896 1.805 4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.436 2.673 5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.351 1.548 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.139 -0.613 5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.605 -0.971 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.857 -1.506 5.857 1.00 0.00 H new ATOM 885 N THR A 61 1.364 2.496 5.610 1.00 0.00 N ATOM 886 CA THR A 61 1.940 3.764 6.040 1.00 0.00 C ATOM 887 C THR A 61 1.281 4.938 5.326 1.00 0.00 C ATOM 888 O THR A 61 1.439 5.110 4.117 1.00 0.00 O ATOM 889 CB THR A 61 3.458 3.808 5.783 1.00 0.00 C ATOM 890 OG1 THR A 61 4.111 2.772 6.526 1.00 0.00 O ATOM 891 CG2 THR A 61 4.034 5.160 6.174 1.00 0.00 C ATOM 0 H THR A 61 1.620 2.216 4.663 1.00 0.00 H new ATOM 0 HA THR A 61 1.758 3.846 7.112 1.00 0.00 H new ATOM 0 HB THR A 61 3.629 3.653 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.076 2.806 6.356 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.107 5.167 5.984 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.556 5.943 5.586 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.852 5.340 7.234 1.00 0.00 H new ATOM 899 N THR A 62 0.541 5.745 6.080 1.00 0.00 N ATOM 900 CA THR A 62 -0.142 6.903 5.518 1.00 0.00 C ATOM 901 C THR A 62 0.345 8.196 6.164 1.00 0.00 C ATOM 902 O THR A 62 0.344 8.328 7.388 1.00 0.00 O ATOM 903 CB THR A 62 -1.669 6.796 5.697 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.983 6.535 7.070 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.240 5.691 4.822 1.00 0.00 C ATOM 0 H THR A 62 0.400 5.617 7.082 1.00 0.00 H new ATOM 0 HA THR A 62 0.091 6.922 4.453 1.00 0.00 H new ATOM 0 HB THR A 62 -2.116 7.743 5.396 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.667 7.167 7.375 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.319 5.634 4.965 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.024 5.907 3.776 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.787 4.738 5.097 1.00 0.00 H new ATOM 913 N ARG A 63 0.760 9.146 5.333 1.00 0.00 N ATOM 914 CA ARG A 63 1.250 10.428 5.823 1.00 0.00 C ATOM 915 C ARG A 63 0.282 11.554 5.466 1.00 0.00 C ATOM 916 O ARG A 63 0.461 12.241 4.461 1.00 0.00 O ATOM 917 CB ARG A 63 2.633 10.727 5.241 1.00 0.00 C ATOM 918 CG ARG A 63 3.477 11.640 6.114 1.00 0.00 C ATOM 919 CD ARG A 63 3.109 13.101 5.911 1.00 0.00 C ATOM 920 NE ARG A 63 3.634 13.629 4.655 1.00 0.00 N ATOM 921 CZ ARG A 63 3.225 14.768 4.108 1.00 0.00 C ATOM 922 NH1 ARG A 63 2.292 15.496 4.705 1.00 0.00 N ATOM 923 NH2 ARG A 63 3.750 15.182 2.962 1.00 0.00 N ATOM 0 H ARG A 63 0.767 9.052 4.317 1.00 0.00 H new ATOM 0 HA ARG A 63 1.326 10.367 6.909 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.165 9.788 5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.513 11.186 4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.341 11.372 7.162 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.532 11.494 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.024 13.206 5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.496 13.691 6.742 1.00 0.00 H new ATOM 0 HE ARG A 63 4.355 13.094 4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.886 15.182 5.587 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.980 16.370 4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.469 14.625 2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.435 16.057 2.543 1.00 0.00 H new ATOM 937 N GLN A 64 -0.741 11.733 6.295 1.00 0.00 N ATOM 938 CA GLN A 64 -1.737 12.772 6.065 1.00 0.00 C ATOM 939 C GLN A 64 -1.293 14.097 6.679 1.00 0.00 C ATOM 940 O GLN A 64 -0.492 14.121 7.613 1.00 0.00 O ATOM 941 CB GLN A 64 -3.087 12.354 6.650 1.00 0.00 C ATOM 942 CG GLN A 64 -3.966 11.595 5.667 1.00 0.00 C ATOM 943 CD GLN A 64 -4.840 12.514 4.836 1.00 0.00 C ATOM 944 OE1 GLN A 64 -5.731 13.182 5.360 1.00 0.00 O ATOM 945 NE2 GLN A 64 -4.589 12.551 3.534 1.00 0.00 N ATOM 0 H GLN A 64 -0.902 11.172 7.132 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.842 12.907 4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.916 11.731 7.528 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.618 13.243 6.988 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.335 11.002 5.004 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.598 10.896 6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.840 11.980 3.143 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.145 13.151 2.924 1.00 0.00 H new ATOM 954 N MET A 65 -1.818 15.195 6.146 1.00 0.00 N ATOM 955 CA MET A 65 -1.476 16.522 6.643 1.00 0.00 C ATOM 956 C MET A 65 -2.591 17.077 7.525 1.00 0.00 C ATOM 957 O MET A 65 -3.749 17.145 7.110 1.00 0.00 O ATOM 958 CB MET A 65 -1.213 17.475 5.476 1.00 0.00 C ATOM 959 CG MET A 65 -0.646 18.820 5.903 1.00 0.00 C ATOM 960 SD MET A 65 0.272 19.638 4.585 1.00 0.00 S ATOM 961 CE MET A 65 1.940 19.555 5.232 1.00 0.00 C ATOM 0 H MET A 65 -2.481 15.192 5.371 1.00 0.00 H new ATOM 0 HA MET A 65 -0.571 16.435 7.243 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.519 17.002 4.781 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.145 17.638 4.934 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.461 19.467 6.228 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.009 18.677 6.762 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.627 20.022 4.527 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.987 20.080 6.186 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.222 18.512 5.377 1.00 0.00 H new ATOM 971 N HIS A 66 -2.235 17.472 8.744 1.00 0.00 N ATOM 972 CA HIS A 66 -3.206 18.021 9.683 1.00 0.00 C ATOM 973 C HIS A 66 -2.791 19.417 10.140 1.00 0.00 C ATOM 974 O HIS A 66 -1.896 19.567 10.969 1.00 0.00 O ATOM 975 CB HIS A 66 -3.354 17.099 10.893 1.00 0.00 C ATOM 976 CG HIS A 66 -3.982 17.763 12.080 1.00 0.00 C ATOM 977 ND1 HIS A 66 -3.250 18.309 13.112 1.00 0.00 N ATOM 978 CD2 HIS A 66 -5.283 17.969 12.393 1.00 0.00 C ATOM 979 CE1 HIS A 66 -4.073 18.821 14.010 1.00 0.00 C ATOM 980 NE2 HIS A 66 -5.313 18.627 13.597 1.00 0.00 N ATOM 0 H HIS A 66 -1.282 17.422 9.104 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.166 18.095 9.173 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.956 16.235 10.610 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.371 16.723 11.175 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.138 17.671 11.805 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.782 19.314 14.926 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.155 18.919 14.092 1.00 0.00 H new ATOM 989 N ASN A 67 -3.448 20.433 9.592 1.00 0.00 N ATOM 990 CA ASN A 67 -3.146 21.817 9.941 1.00 0.00 C ATOM 991 C ASN A 67 -1.722 22.181 9.536 1.00 0.00 C ATOM 992 O ASN A 67 -1.073 23.004 10.183 1.00 0.00 O ATOM 993 CB ASN A 67 -3.334 22.036 11.444 1.00 0.00 C ATOM 994 CG ASN A 67 -4.751 22.445 11.797 1.00 0.00 C ATOM 995 OD1 ASN A 67 -5.581 21.608 12.149 1.00 0.00 O ATOM 996 ND2 ASN A 67 -5.034 23.740 11.702 1.00 0.00 N ATOM 0 H ASN A 67 -4.193 20.325 8.904 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.835 22.463 9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.080 21.119 11.976 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.641 22.805 11.786 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.971 24.075 11.925 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.314 24.399 11.406 1.00 0.00 H new ATOM 1003 N GLY A 68 -1.242 21.565 8.461 1.00 0.00 N ATOM 1004 CA GLY A 68 0.103 21.838 7.987 1.00 0.00 C ATOM 1005 C GLY A 68 1.166 21.209 8.865 1.00 0.00 C ATOM 1006 O GLY A 68 2.171 21.843 9.188 1.00 0.00 O ATOM 0 H GLY A 68 -1.760 20.881 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.209 21.464 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.259 22.916 7.948 1.00 0.00 H new ATOM 1010 N THR A 69 0.945 19.958 9.255 1.00 0.00 N ATOM 1011 CA THR A 69 1.890 19.243 10.104 1.00 0.00 C ATOM 1012 C THR A 69 2.271 17.900 9.493 1.00 0.00 C ATOM 1013 O THR A 69 1.512 17.323 8.713 1.00 0.00 O ATOM 1014 CB THR A 69 1.314 19.009 11.513 1.00 0.00 C ATOM 1015 OG1 THR A 69 2.370 18.700 12.429 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.299 17.876 11.501 1.00 0.00 C ATOM 0 H THR A 69 0.119 19.418 8.996 1.00 0.00 H new ATOM 0 HA THR A 69 2.779 19.868 10.183 1.00 0.00 H new ATOM 0 HB THR A 69 0.812 19.922 11.833 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.996 18.554 13.323 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.094 17.729 12.507 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.518 18.127 10.825 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.781 16.959 11.162 1.00 0.00 H new ATOM 1024 N HIS A 70 3.451 17.405 9.852 1.00 0.00 N ATOM 1025 CA HIS A 70 3.932 16.127 9.340 1.00 0.00 C ATOM 1026 C HIS A 70 3.696 15.012 10.353 1.00 0.00 C ATOM 1027 O HIS A 70 4.167 15.080 11.488 1.00 0.00 O ATOM 1028 CB HIS A 70 5.420 16.217 9.000 1.00 0.00 C ATOM 1029 CG HIS A 70 6.319 15.915 10.160 1.00 0.00 C ATOM 1030 ND1 HIS A 70 7.171 14.830 10.189 1.00 0.00 N ATOM 1031 CD2 HIS A 70 6.496 16.563 11.335 1.00 0.00 C ATOM 1032 CE1 HIS A 70 7.832 14.824 11.333 1.00 0.00 C ATOM 1033 NE2 HIS A 70 7.441 15.865 12.046 1.00 0.00 N ATOM 0 H HIS A 70 4.092 17.869 10.495 1.00 0.00 H new ATOM 0 HA HIS A 70 3.373 15.894 8.433 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.642 15.523 8.189 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.640 17.219 8.632 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.989 17.461 11.654 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.567 14.092 11.634 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.785 16.111 12.974 1.00 0.00 H new ATOM 1042 N VAL A 71 2.965 13.984 9.935 1.00 0.00 N ATOM 1043 CA VAL A 71 2.666 12.853 10.806 1.00 0.00 C ATOM 1044 C VAL A 71 2.516 11.565 10.003 1.00 0.00 C ATOM 1045 O VAL A 71 1.856 11.541 8.966 1.00 0.00 O ATOM 1046 CB VAL A 71 1.379 13.093 11.616 1.00 0.00 C ATOM 1047 CG1 VAL A 71 1.062 11.886 12.486 1.00 0.00 C ATOM 1048 CG2 VAL A 71 1.508 14.350 12.462 1.00 0.00 C ATOM 0 H VAL A 71 2.569 13.911 8.998 1.00 0.00 H new ATOM 0 HA VAL A 71 3.506 12.753 11.494 1.00 0.00 H new ATOM 0 HB VAL A 71 0.554 13.235 10.918 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.149 12.074 13.051 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.923 11.009 11.854 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.886 11.709 13.177 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.589 14.504 13.028 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.345 14.240 13.152 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.683 15.209 11.814 1.00 0.00 H new ATOM 1058 N VAL A 72 3.135 10.495 10.492 1.00 0.00 N ATOM 1059 CA VAL A 72 3.070 9.202 9.822 1.00 0.00 C ATOM 1060 C VAL A 72 2.199 8.223 10.600 1.00 0.00 C ATOM 1061 O VAL A 72 2.610 7.696 11.635 1.00 0.00 O ATOM 1062 CB VAL A 72 4.473 8.592 9.640 1.00 0.00 C ATOM 1063 CG1 VAL A 72 4.375 7.190 9.059 1.00 0.00 C ATOM 1064 CG2 VAL A 72 5.332 9.485 8.758 1.00 0.00 C ATOM 0 H VAL A 72 3.687 10.498 11.350 1.00 0.00 H new ATOM 0 HA VAL A 72 2.628 9.376 8.841 1.00 0.00 H new ATOM 0 HB VAL A 72 4.949 8.521 10.618 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.376 6.776 8.938 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.799 6.556 9.733 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.880 7.232 8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.319 9.039 8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.862 9.590 7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.431 10.467 9.221 1.00 0.00 H new ATOM 1074 N ARG A 73 0.993 7.982 10.096 1.00 0.00 N ATOM 1075 CA ARG A 73 0.063 7.065 10.745 1.00 0.00 C ATOM 1076 C ARG A 73 0.178 5.664 10.152 1.00 0.00 C ATOM 1077 O ARG A 73 0.338 5.501 8.941 1.00 0.00 O ATOM 1078 CB ARG A 73 -1.372 7.575 10.600 1.00 0.00 C ATOM 1079 CG ARG A 73 -2.399 6.717 11.321 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.607 7.182 12.754 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.782 6.567 13.364 1.00 0.00 N ATOM 1082 CZ ARG A 73 -4.198 6.838 14.597 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -3.538 7.711 15.345 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -5.276 6.236 15.082 1.00 0.00 N ATOM 0 H ARG A 73 0.637 8.409 9.241 1.00 0.00 H new ATOM 0 HA ARG A 73 0.319 7.015 11.803 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.427 8.593 10.985 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.627 7.620 9.541 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.347 6.754 10.784 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.072 5.677 11.319 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.724 6.941 13.345 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.716 8.266 12.771 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.313 5.892 12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.709 8.176 14.975 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.859 7.918 16.291 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.786 5.564 14.509 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.594 6.445 16.028 1.00 0.00 H new ATOM 1098 N HIS A 74 0.096 4.654 11.012 1.00 0.00 N ATOM 1099 CA HIS A 74 0.190 3.266 10.574 1.00 0.00 C ATOM 1100 C HIS A 74 -1.058 2.484 10.972 1.00 0.00 C ATOM 1101 O HIS A 74 -1.505 2.550 12.118 1.00 0.00 O ATOM 1102 CB HIS A 74 1.432 2.605 11.171 1.00 0.00 C ATOM 1103 CG HIS A 74 1.345 2.393 12.652 1.00 0.00 C ATOM 1104 ND1 HIS A 74 1.343 1.143 13.234 1.00 0.00 N ATOM 1105 CD2 HIS A 74 1.260 3.281 13.669 1.00 0.00 C ATOM 1106 CE1 HIS A 74 1.258 1.272 14.546 1.00 0.00 C ATOM 1107 NE2 HIS A 74 1.206 2.559 14.836 1.00 0.00 N ATOM 0 H HIS A 74 -0.035 4.771 12.017 1.00 0.00 H new ATOM 0 HA HIS A 74 0.270 3.258 9.487 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.591 1.643 10.683 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.303 3.222 10.951 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.239 4.357 13.580 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.235 0.462 15.260 1.00 0.00 H new ATOM 0 HE2 HIS A 74 1.137 2.953 15.774 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.616 1.746 10.019 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.814 0.954 10.270 1.00 0.00 C ATOM 1118 C TYR A 75 -2.494 -0.537 10.265 1.00 0.00 C ATOM 1119 O TYR A 75 -1.692 -1.010 9.459 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.883 1.260 9.218 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.439 2.663 9.311 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -3.737 3.746 8.795 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -5.667 2.906 9.913 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -4.241 5.029 8.878 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -6.180 4.186 10.000 1.00 0.00 C ATOM 1126 CZ TYR A 75 -5.463 5.244 9.481 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.969 6.521 9.564 1.00 0.00 O ATOM 0 H TYR A 75 -1.258 1.680 9.066 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.195 1.222 11.256 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.457 1.112 8.226 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.700 0.546 9.324 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.781 3.581 8.321 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -6.231 2.080 10.320 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.682 5.859 8.473 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.136 4.357 10.471 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.838 6.500 10.016 1.00 0.00 H new ATOM 1137 N LYS A 76 -3.125 -1.275 11.172 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.910 -2.713 11.273 1.00 0.00 C ATOM 1139 C LYS A 76 -4.134 -3.483 10.786 1.00 0.00 C ATOM 1140 O LYS A 76 -5.249 -2.961 10.787 1.00 0.00 O ATOM 1141 CB LYS A 76 -2.595 -3.101 12.720 1.00 0.00 C ATOM 1142 CG LYS A 76 -2.110 -4.533 12.873 1.00 0.00 C ATOM 1143 CD LYS A 76 -0.666 -4.683 12.427 1.00 0.00 C ATOM 1144 CE LYS A 76 -0.339 -6.125 12.070 1.00 0.00 C ATOM 1145 NZ LYS A 76 1.123 -6.334 11.886 1.00 0.00 N ATOM 0 H LYS A 76 -3.790 -0.900 11.848 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.063 -2.973 10.639 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.835 -2.425 13.112 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.489 -2.962 13.328 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.204 -4.841 13.914 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.744 -5.198 12.286 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.482 -4.043 11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.002 -4.344 13.222 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.704 -6.785 12.857 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.863 -6.400 11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.304 -7.329 11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.467 -5.723 11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.621 -6.096 12.767 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.919 -4.726 10.370 1.00 0.00 N ATOM 1160 CA VAL A 77 -5.004 -5.568 9.881 1.00 0.00 C ATOM 1161 C VAL A 77 -4.941 -6.961 10.499 1.00 0.00 C ATOM 1162 O VAL A 77 -3.937 -7.662 10.373 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.969 -5.696 8.347 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -6.056 -6.644 7.865 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -5.114 -4.330 7.694 1.00 0.00 C ATOM 0 H VAL A 77 -3.002 -5.173 10.362 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.936 -5.085 10.176 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.004 -6.111 8.057 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.016 -6.722 6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.901 -7.629 8.305 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.032 -6.262 8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.087 -4.440 6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.064 -3.884 7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.295 -3.685 8.014 1.00 0.00 H new ATOM 1175 N LYS A 78 -6.020 -7.355 11.167 1.00 0.00 N ATOM 1176 CA LYS A 78 -6.088 -8.665 11.804 1.00 0.00 C ATOM 1177 C LYS A 78 -6.491 -9.739 10.798 1.00 0.00 C ATOM 1178 O LYS A 78 -7.282 -9.485 9.889 1.00 0.00 O ATOM 1179 CB LYS A 78 -7.085 -8.639 12.964 1.00 0.00 C ATOM 1180 CG LYS A 78 -8.538 -8.621 12.519 1.00 0.00 C ATOM 1181 CD LYS A 78 -9.457 -9.178 13.592 1.00 0.00 C ATOM 1182 CE LYS A 78 -9.885 -8.100 14.575 1.00 0.00 C ATOM 1183 NZ LYS A 78 -8.874 -7.894 15.648 1.00 0.00 N ATOM 0 H LYS A 78 -6.859 -6.786 11.281 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.097 -8.906 12.189 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.918 -9.512 13.595 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.891 -7.760 13.579 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.834 -7.599 12.280 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.647 -9.206 11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.339 -9.617 13.125 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.948 -9.979 14.128 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.043 -7.163 14.040 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.839 -8.376 15.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.357 -7.750 16.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.259 -8.731 15.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.298 -7.057 15.426 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.944 -10.938 10.968 1.00 0.00 N ATOM 1198 CA ARG A 79 -6.247 -12.049 10.074 1.00 0.00 C ATOM 1199 C ARG A 79 -7.366 -12.916 10.645 1.00 0.00 C ATOM 1200 O ARG A 79 -7.174 -13.620 11.636 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.998 -12.899 9.840 1.00 0.00 C ATOM 1202 CG ARG A 79 -4.968 -13.578 8.481 1.00 0.00 C ATOM 1203 CD ARG A 79 -5.813 -14.843 8.471 1.00 0.00 C ATOM 1204 NE ARG A 79 -5.349 -15.818 9.454 1.00 0.00 N ATOM 1205 CZ ARG A 79 -5.812 -17.062 9.531 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -6.747 -17.478 8.687 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -5.340 -17.890 10.453 1.00 0.00 N ATOM 0 H ARG A 79 -5.289 -11.165 11.716 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.580 -11.636 9.122 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.115 -12.267 9.940 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.936 -13.660 10.618 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.334 -12.888 7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.939 -13.824 8.219 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.852 -14.587 8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.786 -15.289 7.477 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.631 -15.529 10.118 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.112 -16.843 7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.101 -18.433 8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.621 -17.573 11.104 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.696 -18.844 10.512 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.534 -12.860 10.013 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.682 -13.639 10.459 1.00 0.00 C ATOM 1223 C GLU A 80 -10.300 -14.413 9.297 1.00 0.00 C ATOM 1224 O GLU A 80 -11.267 -13.963 8.683 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.732 -12.724 11.092 1.00 0.00 C ATOM 1226 CG GLU A 80 -12.023 -13.438 11.455 1.00 0.00 C ATOM 1227 CD GLU A 80 -11.977 -14.061 12.837 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -11.913 -13.304 13.828 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -12.005 -15.306 12.927 1.00 0.00 O ATOM 0 H GLU A 80 -8.710 -12.283 9.190 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.335 -14.354 11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.313 -12.271 11.990 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.958 -11.912 10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.851 -12.731 11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.224 -14.215 10.717 1.00 0.00 H new ATOM 1236 N GLY A 81 -9.734 -15.578 9.002 1.00 0.00 N ATOM 1237 CA GLY A 81 -10.241 -16.396 7.915 1.00 0.00 C ATOM 1238 C GLY A 81 -9.721 -15.949 6.564 1.00 0.00 C ATOM 1239 O GLY A 81 -8.677 -15.305 6.458 1.00 0.00 O ATOM 0 H GLY A 81 -8.933 -15.971 9.496 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.959 -17.435 8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.330 -16.358 7.913 1.00 0.00 H new ATOM 1243 N PRO A 82 -10.457 -16.297 5.497 1.00 0.00 N ATOM 1244 CA PRO A 82 -10.082 -15.940 4.126 1.00 0.00 C ATOM 1245 C PRO A 82 -10.221 -14.446 3.858 1.00 0.00 C ATOM 1246 O PRO A 82 -9.909 -13.968 2.767 1.00 0.00 O ATOM 1247 CB PRO A 82 -11.073 -16.732 3.270 1.00 0.00 C ATOM 1248 CG PRO A 82 -12.256 -16.939 4.152 1.00 0.00 C ATOM 1249 CD PRO A 82 -11.712 -17.066 5.549 1.00 0.00 C ATOM 0 HA PRO A 82 -9.038 -16.170 3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.343 -16.183 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.647 -17.683 2.949 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.950 -16.102 4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.806 -17.835 3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.402 -16.659 6.288 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.535 -18.107 5.818 1.00 0.00 H new ATOM 1257 N LYS A 83 -10.694 -13.711 4.858 1.00 0.00 N ATOM 1258 CA LYS A 83 -10.874 -12.270 4.732 1.00 0.00 C ATOM 1259 C LYS A 83 -9.936 -11.520 5.673 1.00 0.00 C ATOM 1260 O LYS A 83 -9.284 -12.122 6.526 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.326 -11.888 5.030 1.00 0.00 C ATOM 1262 CG LYS A 83 -12.868 -12.510 6.306 1.00 0.00 C ATOM 1263 CD LYS A 83 -13.920 -11.626 6.954 1.00 0.00 C ATOM 1264 CE LYS A 83 -14.785 -12.411 7.927 1.00 0.00 C ATOM 1265 NZ LYS A 83 -15.719 -13.332 7.221 1.00 0.00 N ATOM 0 H LYS A 83 -10.960 -14.090 5.767 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.634 -11.988 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.400 -10.803 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.953 -12.193 4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.299 -13.486 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.050 -12.677 7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.433 -10.805 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.549 -11.182 6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.147 -12.986 8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.356 -11.718 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.454 -13.655 7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.164 -12.832 6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.191 -14.153 6.862 1.00 0.00 H new ATOM 1279 N TYR A 84 -9.875 -10.203 5.514 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.016 -9.371 6.349 1.00 0.00 C ATOM 1281 C TYR A 84 -9.828 -8.293 7.061 1.00 0.00 C ATOM 1282 O TYR A 84 -10.319 -7.353 6.435 1.00 0.00 O ATOM 1283 CB TYR A 84 -7.919 -8.723 5.501 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.352 -9.639 4.442 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -7.143 -10.988 4.701 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.023 -9.155 3.182 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -6.624 -11.829 3.736 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -6.504 -9.990 2.210 1.00 0.00 C ATOM 1289 CZ TYR A 84 -6.307 -11.326 2.491 1.00 0.00 C ATOM 1290 OH TYR A 84 -5.788 -12.159 1.527 1.00 0.00 O ATOM 0 H TYR A 84 -10.410 -9.688 4.815 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.555 -10.010 7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.322 -7.832 5.020 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.112 -8.395 6.156 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.391 -11.386 5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.175 -8.109 2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.467 -12.875 3.955 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.254 -9.598 1.235 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.621 -11.647 0.708 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.965 -8.437 8.376 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.715 -7.476 9.175 1.00 0.00 C ATOM 1302 C VAL A 85 -9.829 -6.314 9.612 1.00 0.00 C ATOM 1303 O VAL A 85 -8.782 -6.515 10.228 1.00 0.00 O ATOM 1304 CB VAL A 85 -11.324 -8.140 10.425 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -12.041 -7.108 11.283 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -12.270 -9.262 10.024 1.00 0.00 C ATOM 0 H VAL A 85 -9.566 -9.210 8.910 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.519 -7.099 8.544 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.516 -8.570 11.017 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.464 -7.596 12.161 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.333 -6.342 11.599 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.840 -6.645 10.704 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.691 -9.720 10.919 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -13.075 -8.857 9.410 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.723 -10.014 9.455 1.00 0.00 H new ATOM 1316 N ILE A 86 -10.258 -5.098 9.290 1.00 0.00 N ATOM 1317 CA ILE A 86 -9.504 -3.903 9.650 1.00 0.00 C ATOM 1318 C ILE A 86 -9.502 -3.689 11.160 1.00 0.00 C ATOM 1319 O ILE A 86 -10.486 -3.984 11.841 1.00 0.00 O ATOM 1320 CB ILE A 86 -10.077 -2.649 8.966 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -10.216 -2.882 7.460 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -9.190 -1.444 9.240 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.416 -1.609 6.667 1.00 0.00 C ATOM 0 H ILE A 86 -11.123 -4.914 8.781 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.482 -4.059 9.306 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.066 -2.449 9.377 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.324 -3.391 7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.059 -3.549 7.280 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.609 -0.565 8.750 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.136 -1.269 10.314 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.189 -1.633 8.853 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.507 -1.850 5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.324 -1.109 7.004 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.562 -0.949 6.817 1.00 0.00 H new ATOM 1335 N ASP A 87 -8.393 -3.174 11.678 1.00 0.00 N ATOM 1336 CA ASP A 87 -8.264 -2.916 13.107 1.00 0.00 C ATOM 1337 C ASP A 87 -8.671 -1.484 13.441 1.00 0.00 C ATOM 1338 O ASP A 87 -7.846 -0.677 13.869 1.00 0.00 O ATOM 1339 CB ASP A 87 -6.828 -3.171 13.566 1.00 0.00 C ATOM 1340 CG ASP A 87 -6.557 -4.639 13.833 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -7.348 -5.263 14.571 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -5.555 -5.162 13.303 1.00 0.00 O ATOM 0 H ASP A 87 -7.570 -2.927 11.129 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.932 -3.597 13.635 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.137 -2.810 12.805 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.632 -2.598 14.472 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.949 -1.175 13.240 1.00 0.00 N ATOM 1348 CA VAL A 88 -10.465 0.160 13.519 1.00 0.00 C ATOM 1349 C VAL A 88 -11.731 0.092 14.366 1.00 0.00 C ATOM 1350 O VAL A 88 -12.177 -0.989 14.748 1.00 0.00 O ATOM 1351 CB VAL A 88 -10.770 0.927 12.219 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -9.483 1.262 11.481 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -11.708 0.120 11.333 1.00 0.00 C ATOM 0 H VAL A 88 -10.645 -1.831 12.885 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.690 0.691 14.071 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.266 1.863 12.477 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.719 1.804 10.565 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.850 1.882 12.116 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.956 0.341 11.232 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.913 0.676 10.419 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.241 -0.832 11.081 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.642 -0.063 11.864 1.00 0.00 H new ATOM 1363 N GLU A 89 -12.305 1.256 14.656 1.00 0.00 N ATOM 1364 CA GLU A 89 -13.520 1.329 15.458 1.00 0.00 C ATOM 1365 C GLU A 89 -14.448 0.158 15.149 1.00 0.00 C ATOM 1366 O GLU A 89 -14.768 -0.642 16.027 1.00 0.00 O ATOM 1367 CB GLU A 89 -14.248 2.651 15.204 1.00 0.00 C ATOM 1368 CG GLU A 89 -15.640 2.706 15.811 1.00 0.00 C ATOM 1369 CD GLU A 89 -15.613 2.877 17.317 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -14.696 3.558 17.820 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -16.508 2.328 17.993 1.00 0.00 O ATOM 0 H GLU A 89 -11.948 2.160 14.347 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.234 1.276 16.508 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.651 3.468 15.609 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.323 2.814 14.129 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.194 3.532 15.365 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.177 1.791 15.563 1.00 0.00 H new ATOM 1378 N GLN A 90 -14.876 0.066 13.893 1.00 0.00 N ATOM 1379 CA GLN A 90 -15.767 -1.008 13.468 1.00 0.00 C ATOM 1380 C GLN A 90 -15.021 -2.030 12.618 1.00 0.00 C ATOM 1381 O GLN A 90 -14.247 -1.684 11.725 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.948 -0.435 12.681 1.00 0.00 C ATOM 1383 CG GLN A 90 -17.963 0.291 13.549 1.00 0.00 C ATOM 1384 CD GLN A 90 -19.016 1.015 12.734 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -19.409 0.558 11.661 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -19.478 2.153 13.240 1.00 0.00 N ATOM 0 H GLN A 90 -14.621 0.721 13.154 1.00 0.00 H new ATOM 0 HA GLN A 90 -16.142 -1.511 14.359 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -16.570 0.254 11.925 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -17.449 -1.246 12.152 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -18.450 -0.427 14.209 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -17.444 1.008 14.185 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -19.124 2.495 14.133 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -20.187 2.685 12.735 1.00 0.00 H new ATOM 1395 N PRO A 91 -15.259 -3.319 12.899 1.00 0.00 N ATOM 1396 CA PRO A 91 -14.619 -4.419 12.169 1.00 0.00 C ATOM 1397 C PRO A 91 -15.126 -4.537 10.736 1.00 0.00 C ATOM 1398 O PRO A 91 -16.055 -5.295 10.456 1.00 0.00 O ATOM 1399 CB PRO A 91 -15.013 -5.657 12.979 1.00 0.00 C ATOM 1400 CG PRO A 91 -16.281 -5.276 13.662 1.00 0.00 C ATOM 1401 CD PRO A 91 -16.171 -3.804 13.948 1.00 0.00 C ATOM 0 HA PRO A 91 -13.542 -4.276 12.078 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -15.156 -6.523 12.333 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -14.239 -5.921 13.700 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -17.143 -5.487 13.030 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -16.414 -5.844 14.583 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -17.142 -3.311 13.896 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -15.772 -3.617 14.945 1.00 0.00 H new ATOM 1409 N PHE A 92 -14.509 -3.783 9.832 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.898 -3.802 8.427 1.00 0.00 C ATOM 1411 C PHE A 92 -14.282 -4.999 7.709 1.00 0.00 C ATOM 1412 O PHE A 92 -13.071 -5.049 7.491 1.00 0.00 O ATOM 1413 CB PHE A 92 -14.470 -2.504 7.739 1.00 0.00 C ATOM 1414 CG PHE A 92 -14.534 -2.571 6.240 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.747 -2.469 5.579 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -13.379 -2.737 5.491 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -15.809 -2.529 4.199 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -13.435 -2.797 4.112 1.00 0.00 C ATOM 1419 CZ PHE A 92 -14.650 -2.695 3.466 1.00 0.00 C ATOM 0 H PHE A 92 -13.738 -3.151 10.048 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.983 -3.890 8.377 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.108 -1.691 8.086 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.451 -2.261 8.041 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -16.656 -2.341 6.149 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.425 -2.820 5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.761 -2.446 3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.528 -2.924 3.540 1.00 0.00 H new ATOM 0 HZ PHE A 92 -14.695 -2.745 2.388 1.00 0.00 H new ATOM 1429 N SER A 93 -15.124 -5.961 7.344 1.00 0.00 N ATOM 1430 CA SER A 93 -14.662 -7.160 6.654 1.00 0.00 C ATOM 1431 C SER A 93 -14.497 -6.896 5.160 1.00 0.00 C ATOM 1432 O SER A 93 -15.183 -6.049 4.588 1.00 0.00 O ATOM 1433 CB SER A 93 -15.645 -8.311 6.875 1.00 0.00 C ATOM 1434 OG SER A 93 -16.981 -7.887 6.669 1.00 0.00 O ATOM 0 H SER A 93 -16.129 -5.933 7.515 1.00 0.00 H new ATOM 0 HA SER A 93 -13.692 -7.437 7.066 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.411 -9.129 6.194 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.535 -8.698 7.888 1.00 0.00 H new ATOM 0 HG SER A 93 -17.590 -8.641 6.815 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.583 -7.631 4.534 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.326 -7.477 3.107 1.00 0.00 C ATOM 1442 C CYS A 94 -13.073 -8.831 2.452 1.00 0.00 C ATOM 1443 O CYS A 94 -13.187 -9.876 3.094 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.127 -6.555 2.879 1.00 0.00 C ATOM 1445 SG CYS A 94 -10.535 -7.293 3.316 1.00 0.00 S ATOM 0 H CYS A 94 -13.009 -8.338 4.992 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.209 -7.031 2.650 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -12.103 -6.260 1.830 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -12.266 -5.645 3.463 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.405 -7.311 4.609 1.00 0.00 H new ATOM 1451 N THR A 95 -12.731 -8.807 1.167 1.00 0.00 N ATOM 1452 CA THR A 95 -12.465 -10.032 0.425 1.00 0.00 C ATOM 1453 C THR A 95 -10.981 -10.170 0.104 1.00 0.00 C ATOM 1454 O THR A 95 -10.462 -11.280 -0.013 1.00 0.00 O ATOM 1455 CB THR A 95 -13.268 -10.077 -0.890 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.171 -11.379 -1.478 1.00 0.00 O ATOM 1457 CG2 THR A 95 -12.758 -9.032 -1.872 1.00 0.00 C ATOM 0 H THR A 95 -12.632 -7.952 0.619 1.00 0.00 H new ATOM 0 HA THR A 95 -12.775 -10.861 1.062 1.00 0.00 H new ATOM 0 HB THR A 95 -14.311 -9.859 -0.661 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.685 -11.400 -2.312 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.340 -9.083 -2.792 1.00 0.00 H new ATOM 0 HG22 THR A 95 -12.860 -8.040 -1.433 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.709 -9.224 -2.095 1.00 0.00 H new ATOM 1465 N SER A 96 -10.302 -9.036 -0.035 1.00 0.00 N ATOM 1466 CA SER A 96 -8.877 -9.030 -0.343 1.00 0.00 C ATOM 1467 C SER A 96 -8.264 -7.663 -0.056 1.00 0.00 C ATOM 1468 O SER A 96 -8.966 -6.720 0.312 1.00 0.00 O ATOM 1469 CB SER A 96 -8.650 -9.405 -1.810 1.00 0.00 C ATOM 1470 OG SER A 96 -9.284 -8.481 -2.677 1.00 0.00 O ATOM 0 H SER A 96 -10.716 -8.109 0.061 1.00 0.00 H new ATOM 0 HA SER A 96 -8.390 -9.768 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.581 -9.431 -2.021 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.036 -10.407 -1.996 1.00 0.00 H new ATOM 0 HG SER A 96 -9.122 -8.742 -3.608 1.00 0.00 H new ATOM 1476 N LEU A 97 -6.950 -7.564 -0.227 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.240 -6.312 0.014 1.00 0.00 C ATOM 1478 C LEU A 97 -6.789 -5.196 -0.869 1.00 0.00 C ATOM 1479 O LEU A 97 -6.833 -4.035 -0.464 1.00 0.00 O ATOM 1480 CB LEU A 97 -4.744 -6.495 -0.246 1.00 0.00 C ATOM 1481 CG LEU A 97 -3.957 -7.222 0.844 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -2.605 -7.675 0.315 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -3.783 -6.328 2.062 1.00 0.00 C ATOM 0 H LEU A 97 -6.355 -8.335 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.390 -6.032 1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.623 -7.043 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.298 -5.511 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.521 -8.105 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.059 -8.191 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.752 -8.353 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.034 -6.807 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.220 -6.862 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.242 -5.426 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.762 -6.054 2.455 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.210 -5.557 -2.077 1.00 0.00 N ATOM 1496 CA ASP A 98 -7.759 -4.587 -3.017 1.00 0.00 C ATOM 1497 C ASP A 98 -8.883 -3.782 -2.372 1.00 0.00 C ATOM 1498 O ASP A 98 -8.946 -2.562 -2.514 1.00 0.00 O ATOM 1499 CB ASP A 98 -8.277 -5.295 -4.270 1.00 0.00 C ATOM 1500 CG ASP A 98 -8.273 -4.393 -5.488 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -8.811 -3.270 -5.395 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -7.734 -4.810 -6.534 1.00 0.00 O ATOM 0 H ASP A 98 -7.181 -6.514 -2.428 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.961 -3.901 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.661 -6.172 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.291 -5.652 -4.089 1.00 0.00 H new ATOM 1507 N ALA A 99 -9.769 -4.474 -1.663 1.00 0.00 N ATOM 1508 CA ALA A 99 -10.890 -3.825 -0.996 1.00 0.00 C ATOM 1509 C ALA A 99 -10.404 -2.869 0.089 1.00 0.00 C ATOM 1510 O ALA A 99 -10.820 -1.712 0.142 1.00 0.00 O ATOM 1511 CB ALA A 99 -11.827 -4.867 -0.403 1.00 0.00 C ATOM 0 H ALA A 99 -9.731 -5.485 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.436 -3.243 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.660 -4.368 0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.209 -5.507 -1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.284 -5.473 0.322 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.521 -3.361 0.951 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.978 -2.550 2.035 1.00 0.00 C ATOM 1519 C VAL A 100 -8.576 -1.166 1.537 1.00 0.00 C ATOM 1520 O VAL A 100 -9.040 -0.150 2.054 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.754 -3.225 2.682 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.223 -2.380 3.830 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.110 -4.625 3.161 1.00 0.00 C ATOM 0 H VAL A 100 -9.166 -4.317 0.920 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.766 -2.451 2.781 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.968 -3.310 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.358 -2.873 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.929 -1.400 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.001 -2.261 4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.234 -5.088 3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.912 -4.565 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.440 -5.227 2.314 1.00 0.00 H new ATOM 1533 N VAL A 101 -7.709 -1.135 0.530 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.245 0.125 -0.039 1.00 0.00 C ATOM 1535 C VAL A 101 -8.410 1.074 -0.299 1.00 0.00 C ATOM 1536 O VAL A 101 -8.320 2.271 -0.032 1.00 0.00 O ATOM 1537 CB VAL A 101 -6.481 -0.103 -1.357 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.051 1.225 -1.962 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.278 -1.006 -1.126 1.00 0.00 C ATOM 0 H VAL A 101 -7.314 -1.967 0.092 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.571 0.573 0.692 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.149 -0.598 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.513 1.044 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.932 1.834 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.400 1.750 -1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.750 -1.156 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.607 -0.541 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.614 -1.969 -0.741 1.00 0.00 H new ATOM 1549 N ASN A 102 -9.504 0.529 -0.822 1.00 0.00 N ATOM 1550 CA ASN A 102 -10.688 1.327 -1.118 1.00 0.00 C ATOM 1551 C ASN A 102 -11.368 1.787 0.168 1.00 0.00 C ATOM 1552 O ASN A 102 -11.739 2.953 0.303 1.00 0.00 O ATOM 1553 CB ASN A 102 -11.673 0.521 -1.968 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.212 0.378 -3.405 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -11.130 1.360 -4.143 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -10.909 -0.849 -3.810 1.00 0.00 N ATOM 0 H ASN A 102 -9.595 -0.461 -1.049 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.372 2.208 -1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.802 -0.469 -1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -12.648 1.007 -1.949 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.594 -1.007 -4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.992 -1.634 -3.164 1.00 0.00 H new ATOM 1563 N TYR A 103 -11.530 0.864 1.109 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.167 1.174 2.384 1.00 0.00 C ATOM 1565 C TYR A 103 -11.603 2.463 2.975 1.00 0.00 C ATOM 1566 O TYR A 103 -12.348 3.319 3.452 1.00 0.00 O ATOM 1567 CB TYR A 103 -11.975 0.020 3.368 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.519 0.306 4.750 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -11.729 0.918 5.716 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -13.823 -0.035 5.088 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -12.222 1.179 6.980 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -14.325 0.225 6.349 1.00 0.00 C ATOM 1573 CZ TYR A 103 -13.520 0.832 7.292 1.00 0.00 C ATOM 1574 OH TYR A 103 -14.015 1.092 8.549 1.00 0.00 O ATOM 0 H TYR A 103 -11.229 -0.106 1.013 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.233 1.314 2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.464 -0.870 2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.912 -0.208 3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.713 1.194 5.475 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.455 -0.511 4.353 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.594 1.652 7.720 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.341 -0.045 6.595 1.00 0.00 H new ATOM 0 HH TYR A 103 -14.945 0.787 8.604 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.281 2.592 2.942 1.00 0.00 N ATOM 1585 CA PHE A 104 -9.614 3.774 3.474 1.00 0.00 C ATOM 1586 C PHE A 104 -9.944 5.007 2.639 1.00 0.00 C ATOM 1587 O PHE A 104 -10.171 6.092 3.175 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.099 3.559 3.511 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.635 2.770 4.702 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -7.971 3.167 5.986 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -6.861 1.633 4.537 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.545 2.444 7.085 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -6.434 0.904 5.631 1.00 0.00 C ATOM 1594 CZ PHE A 104 -6.775 1.311 6.907 1.00 0.00 C ATOM 0 H PHE A 104 -9.650 1.892 2.552 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.975 3.937 4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.791 3.044 2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.602 4.529 3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.573 4.052 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.588 1.313 3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.814 2.765 8.081 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.834 0.017 5.489 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.440 0.744 7.763 1.00 0.00 H new ATOM 1604 N VAL A 105 -9.968 4.833 1.321 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.269 5.930 0.410 1.00 0.00 C ATOM 1606 C VAL A 105 -11.641 6.528 0.705 1.00 0.00 C ATOM 1607 O VAL A 105 -11.780 7.742 0.856 1.00 0.00 O ATOM 1608 CB VAL A 105 -10.229 5.468 -1.059 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -10.574 6.619 -1.991 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -8.863 4.887 -1.397 1.00 0.00 C ATOM 0 H VAL A 105 -9.782 3.942 0.861 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.503 6.689 0.565 1.00 0.00 H new ATOM 0 HB VAL A 105 -10.976 4.686 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.540 6.273 -3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.575 6.984 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.854 7.426 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.852 4.565 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.096 5.647 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.661 4.032 -0.751 1.00 0.00 H new ATOM 1620 N SER A 106 -12.650 5.668 0.786 1.00 0.00 N ATOM 1621 CA SER A 106 -14.012 6.112 1.060 1.00 0.00 C ATOM 1622 C SER A 106 -14.158 6.550 2.514 1.00 0.00 C ATOM 1623 O SER A 106 -14.696 7.621 2.801 1.00 0.00 O ATOM 1624 CB SER A 106 -15.008 4.991 0.751 1.00 0.00 C ATOM 1625 OG SER A 106 -16.299 5.514 0.492 1.00 0.00 O ATOM 0 H SER A 106 -12.551 4.660 0.666 1.00 0.00 H new ATOM 0 HA SER A 106 -14.226 6.966 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 106 -14.663 4.421 -0.112 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.054 4.299 1.592 1.00 0.00 H new ATOM 0 HG SER A 106 -16.916 4.779 0.296 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.677 5.715 3.428 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.752 6.016 4.853 1.00 0.00 C ATOM 1633 C HIS A 107 -13.373 7.469 5.123 1.00 0.00 C ATOM 1634 O HIS A 107 -14.133 8.215 5.741 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.834 5.082 5.643 1.00 0.00 C ATOM 1636 CG HIS A 107 -12.741 5.423 7.099 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -13.834 5.778 7.859 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -11.676 5.459 7.933 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -13.446 6.021 9.099 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -12.141 5.833 9.170 1.00 0.00 N ATOM 0 H HIS A 107 -13.231 4.824 3.208 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.781 5.861 5.177 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -13.195 4.059 5.540 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.836 5.113 5.207 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.652 5.235 7.674 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -14.087 6.322 9.915 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -11.571 5.947 10.008 1.00 0.00 H new ATOM 1649 N THR A 108 -12.193 7.864 4.656 1.00 0.00 N ATOM 1650 CA THR A 108 -11.712 9.226 4.848 1.00 0.00 C ATOM 1651 C THR A 108 -12.301 10.169 3.805 1.00 0.00 C ATOM 1652 O THR A 108 -12.507 9.787 2.654 1.00 0.00 O ATOM 1653 CB THR A 108 -10.175 9.295 4.776 1.00 0.00 C ATOM 1654 OG1 THR A 108 -9.723 8.828 3.501 1.00 0.00 O ATOM 1655 CG2 THR A 108 -9.544 8.461 5.881 1.00 0.00 C ATOM 0 H THR A 108 -11.552 7.259 4.142 1.00 0.00 H new ATOM 0 HA THR A 108 -12.036 9.538 5.841 1.00 0.00 H new ATOM 0 HB THR A 108 -9.873 10.334 4.909 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.822 7.854 3.455 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.458 8.525 5.810 1.00 0.00 H new ATOM 0 HG22 THR A 108 -9.867 8.838 6.851 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.854 7.421 5.774 1.00 0.00 H new ATOM 1663 N LYS A 109 -12.570 11.404 4.215 1.00 0.00 N ATOM 1664 CA LYS A 109 -13.134 12.404 3.316 1.00 0.00 C ATOM 1665 C LYS A 109 -12.106 12.842 2.277 1.00 0.00 C ATOM 1666 O LYS A 109 -12.252 12.560 1.088 1.00 0.00 O ATOM 1667 CB LYS A 109 -13.620 13.618 4.110 1.00 0.00 C ATOM 1668 CG LYS A 109 -14.410 13.253 5.356 1.00 0.00 C ATOM 1669 CD LYS A 109 -14.228 14.287 6.455 1.00 0.00 C ATOM 1670 CE LYS A 109 -12.795 14.317 6.961 1.00 0.00 C ATOM 1671 NZ LYS A 109 -12.677 15.050 8.251 1.00 0.00 N ATOM 0 H LYS A 109 -12.406 11.737 5.165 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.981 11.954 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.759 14.221 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.242 14.239 3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.468 13.169 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.090 12.276 5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.502 15.272 6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.902 14.063 7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.434 13.297 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.156 14.790 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.685 15.048 8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -12.998 16.031 8.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.266 14.584 8.970 1.00 0.00 H new ATOM 1685 N LYS A 110 -11.067 13.533 2.734 1.00 0.00 N ATOM 1686 CA LYS A 110 -10.013 14.007 1.845 1.00 0.00 C ATOM 1687 C LYS A 110 -9.641 12.939 0.823 1.00 0.00 C ATOM 1688 O LYS A 110 -9.970 11.764 0.991 1.00 0.00 O ATOM 1689 CB LYS A 110 -8.777 14.406 2.654 1.00 0.00 C ATOM 1690 CG LYS A 110 -7.962 15.517 2.014 1.00 0.00 C ATOM 1691 CD LYS A 110 -6.763 15.893 2.866 1.00 0.00 C ATOM 1692 CE LYS A 110 -5.887 16.925 2.172 1.00 0.00 C ATOM 1693 NZ LYS A 110 -4.856 17.485 3.090 1.00 0.00 N ATOM 0 H LYS A 110 -10.932 13.777 3.715 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.388 14.880 1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.091 14.724 3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.141 13.530 2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.623 15.199 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.593 16.393 1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.105 16.289 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.175 15.001 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.398 16.467 1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.511 17.733 1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.280 18.184 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.323 17.945 3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.244 16.718 3.435 1.00 0.00 H new ATOM 1707 N ALA A 111 -8.950 13.352 -0.235 1.00 0.00 N ATOM 1708 CA ALA A 111 -8.530 12.430 -1.282 1.00 0.00 C ATOM 1709 C ALA A 111 -7.195 11.779 -0.937 1.00 0.00 C ATOM 1710 O ALA A 111 -6.151 12.434 -0.949 1.00 0.00 O ATOM 1711 CB ALA A 111 -8.438 13.153 -2.617 1.00 0.00 C ATOM 0 H ALA A 111 -8.669 14.320 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 111 -9.279 11.642 -1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.123 12.452 -3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -9.414 13.564 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.711 13.962 -2.543 1.00 0.00 H new ATOM 1717 N LEU A 112 -7.233 10.487 -0.630 1.00 0.00 N ATOM 1718 CA LEU A 112 -6.026 9.748 -0.280 1.00 0.00 C ATOM 1719 C LEU A 112 -5.401 9.109 -1.517 1.00 0.00 C ATOM 1720 O LEU A 112 -5.959 8.180 -2.098 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.346 8.670 0.757 1.00 0.00 C ATOM 1722 CG LEU A 112 -5.191 8.249 1.667 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -4.692 9.435 2.478 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -5.622 7.116 2.586 1.00 0.00 C ATOM 0 H LEU A 112 -8.087 9.930 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.310 10.451 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.163 9.028 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.709 7.786 0.233 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.373 7.892 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.870 9.117 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.344 10.217 1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.504 9.822 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.788 6.829 3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.457 7.446 3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.931 6.259 1.987 1.00 0.00 H new ATOM 1736 N VAL A 113 -4.238 9.616 -1.913 1.00 0.00 N ATOM 1737 CA VAL A 113 -3.534 9.094 -3.080 1.00 0.00 C ATOM 1738 C VAL A 113 -2.668 7.896 -2.707 1.00 0.00 C ATOM 1739 O VAL A 113 -1.795 7.974 -1.843 1.00 0.00 O ATOM 1740 CB VAL A 113 -2.648 10.173 -3.730 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -1.853 9.585 -4.886 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -3.495 11.347 -4.197 1.00 0.00 C ATOM 0 H VAL A 113 -3.763 10.387 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.294 8.781 -3.796 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.942 10.538 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.233 10.362 -5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.217 8.780 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.539 9.192 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -2.853 12.100 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.225 11.001 -4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.015 11.783 -3.344 1.00 0.00 H new ATOM 1752 N PRO A 114 -2.911 6.759 -3.377 1.00 0.00 N ATOM 1753 CA PRO A 114 -2.164 5.522 -3.135 1.00 0.00 C ATOM 1754 C PRO A 114 -0.720 5.613 -3.619 1.00 0.00 C ATOM 1755 O PRO A 114 -0.436 6.246 -4.637 1.00 0.00 O ATOM 1756 CB PRO A 114 -2.935 4.477 -3.944 1.00 0.00 C ATOM 1757 CG PRO A 114 -3.610 5.254 -5.020 1.00 0.00 C ATOM 1758 CD PRO A 114 -3.937 6.594 -4.421 1.00 0.00 C ATOM 0 HA PRO A 114 -2.093 5.290 -2.072 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.265 3.725 -4.360 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.659 3.950 -3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.961 5.363 -5.889 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.514 4.747 -5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.886 7.390 -5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -4.943 6.613 -4.002 1.00 0.00 H new ATOM 1766 N PHE A 115 0.187 4.976 -2.887 1.00 0.00 N ATOM 1767 CA PHE A 115 1.600 4.986 -3.242 1.00 0.00 C ATOM 1768 C PHE A 115 1.907 3.913 -4.282 1.00 0.00 C ATOM 1769 O PHE A 115 1.801 2.717 -4.008 1.00 0.00 O ATOM 1770 CB PHE A 115 2.463 4.767 -1.998 1.00 0.00 C ATOM 1771 CG PHE A 115 3.904 5.142 -2.193 1.00 0.00 C ATOM 1772 CD1 PHE A 115 4.662 4.541 -3.185 1.00 0.00 C ATOM 1773 CD2 PHE A 115 4.501 6.096 -1.385 1.00 0.00 C ATOM 1774 CE1 PHE A 115 5.989 4.884 -3.365 1.00 0.00 C ATOM 1775 CE2 PHE A 115 5.826 6.444 -1.561 1.00 0.00 C ATOM 1776 CZ PHE A 115 6.571 5.838 -2.554 1.00 0.00 C ATOM 0 H PHE A 115 -0.032 4.446 -2.044 1.00 0.00 H new ATOM 0 HA PHE A 115 1.834 5.961 -3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 115 2.053 5.351 -1.174 1.00 0.00 H new ATOM 0 HB3 PHE A 115 2.405 3.718 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 115 4.211 3.797 -3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.923 6.574 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.570 4.406 -4.140 1.00 0.00 H new ATOM 0 HE2 PHE A 115 6.279 7.189 -0.923 1.00 0.00 H new ATOM 0 HZ PHE A 115 7.607 6.110 -2.696 1.00 0.00 H new ATOM 1786 N LEU A 116 2.286 4.349 -5.479 1.00 0.00 N ATOM 1787 CA LEU A 116 2.608 3.426 -6.562 1.00 0.00 C ATOM 1788 C LEU A 116 4.026 3.663 -7.075 1.00 0.00 C ATOM 1789 O LEU A 116 4.460 4.805 -7.230 1.00 0.00 O ATOM 1790 CB LEU A 116 1.607 3.585 -7.708 1.00 0.00 C ATOM 1791 CG LEU A 116 1.775 2.624 -8.885 1.00 0.00 C ATOM 1792 CD1 LEU A 116 1.470 1.197 -8.456 1.00 0.00 C ATOM 1793 CD2 LEU A 116 0.880 3.038 -10.044 1.00 0.00 C ATOM 0 H LEU A 116 2.378 5.335 -5.724 1.00 0.00 H new ATOM 0 HA LEU A 116 2.547 2.410 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.602 3.462 -7.305 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.676 4.605 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 116 2.811 2.667 -9.220 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.595 0.527 -9.307 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.153 0.903 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.443 1.137 -8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.013 2.343 -10.873 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.161 3.024 -9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.147 4.044 -10.368 1.00 0.00 H new ATOM 1805 N LEU A 117 4.742 2.575 -7.339 1.00 0.00 N ATOM 1806 CA LEU A 117 6.110 2.662 -7.837 1.00 0.00 C ATOM 1807 C LEU A 117 6.279 1.845 -9.113 1.00 0.00 C ATOM 1808 O LEU A 117 6.113 0.625 -9.106 1.00 0.00 O ATOM 1809 CB LEU A 117 7.094 2.174 -6.771 1.00 0.00 C ATOM 1810 CG LEU A 117 8.518 2.721 -6.871 1.00 0.00 C ATOM 1811 CD1 LEU A 117 9.017 2.655 -8.307 1.00 0.00 C ATOM 1812 CD2 LEU A 117 8.578 4.151 -6.351 1.00 0.00 C ATOM 0 H LEU A 117 4.398 1.623 -7.216 1.00 0.00 H new ATOM 0 HA LEU A 117 6.320 3.707 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.695 2.434 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.140 1.086 -6.819 1.00 0.00 H new ATOM 0 HG LEU A 117 9.168 2.102 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.032 3.049 -8.358 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.012 1.619 -8.647 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.365 3.250 -8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.599 4.524 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.914 4.782 -6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.263 4.172 -5.308 1.00 0.00 H new ATOM 1824 N ASP A 118 6.610 2.523 -10.205 1.00 0.00 N ATOM 1825 CA ASP A 118 6.805 1.860 -11.489 1.00 0.00 C ATOM 1826 C ASP A 118 8.277 1.529 -11.712 1.00 0.00 C ATOM 1827 O ASP A 118 8.621 0.414 -12.106 1.00 0.00 O ATOM 1828 CB ASP A 118 6.290 2.742 -12.627 1.00 0.00 C ATOM 1829 CG ASP A 118 6.639 4.205 -12.430 1.00 0.00 C ATOM 1830 OD1 ASP A 118 7.766 4.600 -12.798 1.00 0.00 O ATOM 1831 OD2 ASP A 118 5.787 4.953 -11.908 1.00 0.00 O ATOM 0 H ASP A 118 6.749 3.533 -10.227 1.00 0.00 H new ATOM 0 HA ASP A 118 6.239 0.928 -11.478 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.711 2.395 -13.571 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.208 2.637 -12.703 1.00 0.00 H new TER 1836 ASP A 118