USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 773 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 39 HIS : no HE2:sc= -10.6! C(o=-25!,f=-29!) USER MOD Set 1.2: A 89 CYS SG : rot 6:sc= 1.27 USER MOD Set 1.3: A 92 HIS : +bothHN:sc= -16! C(o=-25!,f=-30!) USER MOD Single : A 2 THR OG1 : rot 9:sc= -1.33! USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0328 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -78:sc= 0.985! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 33 ASN : amide:sc= -7.77! C(o=-7.8!,f=-17!) USER MOD Single : A 34 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.9!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.0791 F(o=-1.6,f=-0.079) USER MOD Single : A 48 ASN : amide:sc= -2.99! C(o=-3!,f=-7.9!) USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= -0.144 (180deg=-0.464) USER MOD Single : A 52 SER OG : rot 78:sc= 1.24 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.158 USER MOD Single : A 61 HIS : no HE2:sc= -2.02 K(o=-2,f=-9.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0923 K(o=-0.092,f=-1.7!) USER MOD Single : A 66 MET CE :methyl 180:sc= -0.107 (180deg=-0.107) USER MOD Single : A 67 SER OG : rot 145:sc= -2.76! USER MOD Single : A 70 GLN : amide:sc=-0.00045 X(o=-0.00045,f=-0.00045) USER MOD Single : A 71 SER OG : rot -32:sc= -4.36! USER MOD Single : A 72 THR OG1 : rot -8:sc= 1.1 USER MOD Single : A 73 SER OG : rot -64:sc= 0.967 USER MOD Single : A 74 THR OG1 : rot -126:sc= 0.427 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 85 TYR OH : rot 17:sc= -2.87! USER MOD Single : A 86 THR OG1 : rot -32:sc= 0.0134 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 140:sc= -8.09! (180deg=-10.8!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 75:sc= 0.983 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 1.594 13.699 3.737 1.00 0.00 N ATOM 19 CA THR A 2 1.658 12.230 3.495 1.00 0.00 C ATOM 20 C THR A 2 0.851 11.881 2.244 1.00 0.00 C ATOM 21 O THR A 2 -0.030 12.613 1.837 1.00 0.00 O ATOM 22 CB THR A 2 1.073 11.490 4.700 1.00 0.00 C ATOM 23 OG1 THR A 2 1.243 10.091 4.522 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.416 11.812 4.825 1.00 0.00 C ATOM 0 HA THR A 2 2.696 11.931 3.352 1.00 0.00 H new ATOM 0 HB THR A 2 1.588 11.807 5.607 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.819 9.928 3.746 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.832 11.284 5.684 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.546 12.886 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.934 11.496 3.919 1.00 0.00 H new ATOM 32 N TYR A 3 1.142 10.766 1.631 1.00 0.00 N ATOM 33 CA TYR A 3 0.389 10.370 0.407 1.00 0.00 C ATOM 34 C TYR A 3 -0.772 9.455 0.802 1.00 0.00 C ATOM 35 O TYR A 3 -0.726 8.780 1.811 1.00 0.00 O ATOM 36 CB TYR A 3 1.322 9.625 -0.548 1.00 0.00 C ATOM 37 CG TYR A 3 2.314 10.595 -1.142 1.00 0.00 C ATOM 38 CD1 TYR A 3 3.399 11.039 -0.377 1.00 0.00 C ATOM 39 CD2 TYR A 3 2.151 11.049 -2.456 1.00 0.00 C ATOM 40 CE1 TYR A 3 4.321 11.937 -0.926 1.00 0.00 C ATOM 41 CE2 TYR A 3 3.073 11.947 -3.006 1.00 0.00 C ATOM 42 CZ TYR A 3 4.158 12.392 -2.241 1.00 0.00 C ATOM 43 OH TYR A 3 5.067 13.276 -2.783 1.00 0.00 O ATOM 0 H TYR A 3 1.868 10.113 1.925 1.00 0.00 H new ATOM 0 HA TYR A 3 0.001 11.261 -0.087 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.847 8.832 -0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.744 9.149 -1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.524 10.688 0.637 1.00 0.00 H new ATOM 0 HD2 TYR A 3 1.314 10.706 -3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.158 12.279 -0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.948 12.297 -4.020 1.00 0.00 H new ATOM 0 HH TYR A 3 4.807 13.489 -3.704 1.00 0.00 H new ATOM 53 N THR A 4 -1.814 9.427 0.016 1.00 0.00 N ATOM 54 CA THR A 4 -2.974 8.555 0.353 1.00 0.00 C ATOM 55 C THR A 4 -3.561 7.959 -0.927 1.00 0.00 C ATOM 56 O THR A 4 -3.737 8.641 -1.918 1.00 0.00 O ATOM 57 CB THR A 4 -4.044 9.383 1.067 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.434 10.176 2.075 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.074 8.448 1.703 1.00 0.00 C ATOM 0 H THR A 4 -1.912 9.969 -0.843 1.00 0.00 H new ATOM 0 HA THR A 4 -2.640 7.749 1.006 1.00 0.00 H new ATOM 0 HB THR A 4 -4.542 10.032 0.347 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.119 10.708 2.532 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.836 9.038 2.212 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.542 7.841 0.928 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.579 7.797 2.423 1.00 0.00 H new ATOM 67 N VAL A 5 -3.871 6.691 -0.914 1.00 0.00 N ATOM 68 CA VAL A 5 -4.453 6.050 -2.128 1.00 0.00 C ATOM 69 C VAL A 5 -5.862 5.544 -1.808 1.00 0.00 C ATOM 70 O VAL A 5 -6.036 4.500 -1.210 1.00 0.00 O ATOM 71 CB VAL A 5 -3.578 4.871 -2.577 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.690 5.309 -3.744 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.695 4.398 -1.418 1.00 0.00 C ATOM 0 H VAL A 5 -3.746 6.070 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.497 6.785 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.223 4.051 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.069 4.472 -4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.316 5.634 -4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.052 6.134 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.079 3.562 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.052 5.216 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.325 4.079 -0.587 1.00 0.00 H new ATOM 83 N LYS A 6 -6.869 6.277 -2.198 1.00 0.00 N ATOM 84 CA LYS A 6 -8.266 5.839 -1.914 1.00 0.00 C ATOM 85 C LYS A 6 -8.598 4.607 -2.762 1.00 0.00 C ATOM 86 O LYS A 6 -9.256 4.702 -3.778 1.00 0.00 O ATOM 87 CB LYS A 6 -9.235 6.973 -2.260 1.00 0.00 C ATOM 88 CG LYS A 6 -10.420 6.949 -1.291 1.00 0.00 C ATOM 89 CD LYS A 6 -11.588 7.735 -1.892 1.00 0.00 C ATOM 90 CE LYS A 6 -12.900 7.268 -1.256 1.00 0.00 C ATOM 91 NZ LYS A 6 -13.849 8.415 -1.174 1.00 0.00 N ATOM 0 H LYS A 6 -6.785 7.160 -2.701 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.361 5.588 -0.857 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.723 7.933 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.588 6.863 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.723 5.920 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.130 7.383 -0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.448 8.802 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.622 7.587 -2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.336 6.463 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.711 6.867 -0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.740 8.098 -0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.432 9.170 -0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.038 8.778 -2.130 1.00 0.00 H new ATOM 105 N LEU A 7 -8.150 3.451 -2.352 1.00 0.00 N ATOM 106 CA LEU A 7 -8.443 2.222 -3.132 1.00 0.00 C ATOM 107 C LEU A 7 -9.949 2.129 -3.379 1.00 0.00 C ATOM 108 O LEU A 7 -10.749 2.374 -2.497 1.00 0.00 O ATOM 109 CB LEU A 7 -7.972 0.998 -2.344 1.00 0.00 C ATOM 110 CG LEU A 7 -8.148 1.245 -0.845 1.00 0.00 C ATOM 111 CD1 LEU A 7 -8.690 -0.020 -0.178 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.794 1.605 -0.229 1.00 0.00 C ATOM 0 H LEU A 7 -7.593 3.308 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.921 2.258 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.541 0.119 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.925 0.792 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.850 2.065 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.815 0.157 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.653 -0.279 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.989 -0.841 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.916 1.782 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.094 0.784 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.406 2.506 -0.704 1.00 0.00 H new ATOM 124 N GLY A 8 -10.344 1.783 -4.573 1.00 0.00 N ATOM 125 CA GLY A 8 -11.799 1.681 -4.876 1.00 0.00 C ATOM 126 C GLY A 8 -12.245 2.930 -5.640 1.00 0.00 C ATOM 127 O GLY A 8 -12.206 4.030 -5.126 1.00 0.00 O ATOM 0 H GLY A 8 -9.722 1.567 -5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.997 0.788 -5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.369 1.583 -3.952 1.00 0.00 H new ATOM 131 N SER A 9 -12.665 2.769 -6.865 1.00 0.00 N ATOM 132 CA SER A 9 -13.109 3.946 -7.664 1.00 0.00 C ATOM 133 C SER A 9 -14.426 4.482 -7.100 1.00 0.00 C ATOM 134 O SER A 9 -14.449 5.427 -6.337 1.00 0.00 O ATOM 135 CB SER A 9 -13.314 3.524 -9.120 1.00 0.00 C ATOM 136 OG SER A 9 -14.369 2.574 -9.190 1.00 0.00 O ATOM 0 H SER A 9 -12.720 1.872 -7.348 1.00 0.00 H new ATOM 0 HA SER A 9 -12.349 4.726 -7.613 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.551 4.394 -9.733 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.395 3.094 -9.519 1.00 0.00 H new ATOM 0 HG SER A 9 -14.037 1.695 -8.910 1.00 0.00 H new ATOM 142 N ASP A 10 -15.524 3.887 -7.474 1.00 0.00 N ATOM 143 CA ASP A 10 -16.843 4.358 -6.967 1.00 0.00 C ATOM 144 C ASP A 10 -17.951 3.786 -7.852 1.00 0.00 C ATOM 145 O ASP A 10 -18.909 3.212 -7.374 1.00 0.00 O ATOM 146 CB ASP A 10 -16.891 5.888 -7.009 1.00 0.00 C ATOM 147 CG ASP A 10 -16.212 6.386 -8.286 1.00 0.00 C ATOM 148 OD1 ASP A 10 -16.041 5.589 -9.193 1.00 0.00 O ATOM 149 OD2 ASP A 10 -15.873 7.558 -8.334 1.00 0.00 O ATOM 0 H ASP A 10 -15.565 3.092 -8.111 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.984 4.023 -5.939 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.925 6.231 -6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.391 6.302 -6.134 1.00 0.00 H new ATOM 154 N LYS A 11 -17.822 3.933 -9.142 1.00 0.00 N ATOM 155 CA LYS A 11 -18.859 3.394 -10.065 1.00 0.00 C ATOM 156 C LYS A 11 -18.212 2.382 -11.016 1.00 0.00 C ATOM 157 O LYS A 11 -18.882 1.733 -11.795 1.00 0.00 O ATOM 158 CB LYS A 11 -19.466 4.541 -10.875 1.00 0.00 C ATOM 159 CG LYS A 11 -20.220 5.485 -9.937 1.00 0.00 C ATOM 160 CD LYS A 11 -19.690 6.909 -10.112 1.00 0.00 C ATOM 161 CE LYS A 11 -19.958 7.712 -8.839 1.00 0.00 C ATOM 162 NZ LYS A 11 -19.641 9.148 -9.082 1.00 0.00 N ATOM 0 H LYS A 11 -17.041 4.405 -9.597 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.643 2.904 -9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -18.681 5.084 -11.401 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -20.143 4.147 -11.633 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -21.288 5.454 -10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -20.095 5.164 -8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.621 6.887 -10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.173 7.386 -10.964 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -21.001 7.604 -8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.351 7.328 -8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.823 9.695 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.640 9.242 -9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.239 9.510 -9.852 1.00 0.00 H new ATOM 176 N GLY A 12 -16.914 2.244 -10.959 1.00 0.00 N ATOM 177 CA GLY A 12 -16.223 1.275 -11.858 1.00 0.00 C ATOM 178 C GLY A 12 -15.908 -0.007 -11.084 1.00 0.00 C ATOM 179 O GLY A 12 -16.774 -0.821 -10.835 1.00 0.00 O ATOM 0 H GLY A 12 -16.302 2.761 -10.328 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.853 1.047 -12.718 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.303 1.714 -12.245 1.00 0.00 H new ATOM 183 N LEU A 13 -14.673 -0.193 -10.701 1.00 0.00 N ATOM 184 CA LEU A 13 -14.305 -1.424 -9.945 1.00 0.00 C ATOM 185 C LEU A 13 -13.336 -1.061 -8.813 1.00 0.00 C ATOM 186 O LEU A 13 -13.299 0.063 -8.353 1.00 0.00 O ATOM 187 CB LEU A 13 -13.643 -2.426 -10.895 1.00 0.00 C ATOM 188 CG LEU A 13 -14.430 -3.738 -10.880 1.00 0.00 C ATOM 189 CD1 LEU A 13 -14.705 -4.191 -12.315 1.00 0.00 C ATOM 190 CD2 LEU A 13 -13.616 -4.811 -10.156 1.00 0.00 C ATOM 0 H LEU A 13 -13.904 0.454 -10.879 1.00 0.00 H new ATOM 0 HA LEU A 13 -15.202 -1.872 -9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -13.612 -2.019 -11.906 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.611 -2.605 -10.591 1.00 0.00 H new ATOM 0 HG LEU A 13 -15.377 -3.585 -10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -15.266 -5.126 -12.300 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -15.286 -3.428 -12.833 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.760 -4.343 -12.836 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.176 -5.746 -10.145 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.669 -4.961 -10.675 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.422 -4.492 -9.132 1.00 0.00 H new ATOM 202 N LEU A 14 -12.555 -2.006 -8.356 1.00 0.00 N ATOM 203 CA LEU A 14 -11.595 -1.715 -7.249 1.00 0.00 C ATOM 204 C LEU A 14 -10.192 -1.490 -7.822 1.00 0.00 C ATOM 205 O LEU A 14 -9.626 -2.357 -8.458 1.00 0.00 O ATOM 206 CB LEU A 14 -11.555 -2.904 -6.284 1.00 0.00 C ATOM 207 CG LEU A 14 -12.836 -2.936 -5.449 1.00 0.00 C ATOM 208 CD1 LEU A 14 -12.740 -4.059 -4.414 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.014 -1.597 -4.729 1.00 0.00 C ATOM 0 H LEU A 14 -12.540 -2.966 -8.701 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.921 -0.818 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.451 -3.834 -6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.686 -2.825 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.690 -3.112 -6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.652 -4.083 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.614 -5.014 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.885 -3.881 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.927 -1.622 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.160 -1.419 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.081 -0.795 -5.464 1.00 0.00 H new ATOM 221 N VAL A 15 -9.623 -0.337 -7.594 1.00 0.00 N ATOM 222 CA VAL A 15 -8.254 -0.064 -8.120 1.00 0.00 C ATOM 223 C VAL A 15 -7.627 1.100 -7.344 1.00 0.00 C ATOM 224 O VAL A 15 -8.205 2.163 -7.234 1.00 0.00 O ATOM 225 CB VAL A 15 -8.344 0.303 -9.602 1.00 0.00 C ATOM 226 CG1 VAL A 15 -8.741 -0.931 -10.414 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.400 1.393 -9.792 1.00 0.00 C ATOM 0 H VAL A 15 -10.046 0.427 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.636 -0.953 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.375 0.666 -9.943 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.804 -0.667 -11.470 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.992 -1.711 -10.280 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.710 -1.295 -10.072 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.466 1.656 -10.848 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.367 1.026 -9.449 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.121 2.275 -9.215 1.00 0.00 H new ATOM 237 N PHE A 16 -6.450 0.913 -6.805 1.00 0.00 N ATOM 238 CA PHE A 16 -5.801 2.020 -6.043 1.00 0.00 C ATOM 239 C PHE A 16 -5.952 3.327 -6.823 1.00 0.00 C ATOM 240 O PHE A 16 -6.296 3.328 -7.989 1.00 0.00 O ATOM 241 CB PHE A 16 -4.314 1.716 -5.841 1.00 0.00 C ATOM 242 CG PHE A 16 -4.121 0.960 -4.547 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.735 -0.285 -4.363 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.326 1.505 -3.532 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.555 -0.984 -3.162 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.146 0.807 -2.332 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.759 -0.437 -2.146 1.00 0.00 C ATOM 0 H PHE A 16 -5.913 0.047 -6.859 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.281 2.114 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.936 1.128 -6.677 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.743 2.644 -5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.347 -0.706 -5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.851 2.464 -3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.029 -1.944 -3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.533 1.229 -1.549 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.619 -0.975 -1.220 1.00 0.00 H new ATOM 257 N GLU A 17 -5.701 4.440 -6.192 1.00 0.00 N ATOM 258 CA GLU A 17 -5.836 5.742 -6.901 1.00 0.00 C ATOM 259 C GLU A 17 -4.814 6.738 -6.337 1.00 0.00 C ATOM 260 O GLU A 17 -4.996 7.252 -5.251 1.00 0.00 O ATOM 261 CB GLU A 17 -7.248 6.289 -6.684 1.00 0.00 C ATOM 262 CG GLU A 17 -8.180 5.747 -7.770 1.00 0.00 C ATOM 263 CD GLU A 17 -9.630 5.850 -7.295 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.842 5.836 -6.093 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.505 5.942 -8.140 1.00 0.00 O ATOM 0 H GLU A 17 -5.409 4.504 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.656 5.599 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.614 6.000 -5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.235 7.379 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.047 6.311 -8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.932 4.709 -7.993 1.00 0.00 H new ATOM 272 N PRO A 18 -3.765 6.980 -7.085 1.00 0.00 N ATOM 273 CA PRO A 18 -3.538 6.359 -8.401 1.00 0.00 C ATOM 274 C PRO A 18 -3.037 4.921 -8.238 1.00 0.00 C ATOM 275 O PRO A 18 -2.943 4.406 -7.142 1.00 0.00 O ATOM 276 CB PRO A 18 -2.461 7.247 -9.032 1.00 0.00 C ATOM 277 CG PRO A 18 -1.743 7.962 -7.869 1.00 0.00 C ATOM 278 CD PRO A 18 -2.697 7.907 -6.666 1.00 0.00 C ATOM 0 HA PRO A 18 -4.441 6.295 -9.007 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.758 6.650 -9.613 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.906 7.970 -9.716 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.798 7.472 -7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.511 8.994 -8.133 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.188 7.548 -5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.097 8.893 -6.431 1.00 0.00 H new ATOM 286 N ALA A 19 -2.716 4.269 -9.323 1.00 0.00 N ATOM 287 CA ALA A 19 -2.223 2.867 -9.235 1.00 0.00 C ATOM 288 C ALA A 19 -0.805 2.856 -8.659 1.00 0.00 C ATOM 289 O ALA A 19 -0.495 2.095 -7.764 1.00 0.00 O ATOM 290 CB ALA A 19 -2.212 2.244 -10.633 1.00 0.00 C ATOM 0 H ALA A 19 -2.775 4.649 -10.268 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.881 2.291 -8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.851 1.217 -10.571 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.222 2.250 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.554 2.821 -11.283 1.00 0.00 H new ATOM 296 N LYS A 20 0.059 3.694 -9.165 1.00 0.00 N ATOM 297 CA LYS A 20 1.456 3.731 -8.644 1.00 0.00 C ATOM 298 C LYS A 20 1.569 4.820 -7.573 1.00 0.00 C ATOM 299 O LYS A 20 0.618 5.521 -7.289 1.00 0.00 O ATOM 300 CB LYS A 20 2.422 4.037 -9.793 1.00 0.00 C ATOM 301 CG LYS A 20 2.298 5.510 -10.194 1.00 0.00 C ATOM 302 CD LYS A 20 1.992 5.608 -11.689 1.00 0.00 C ATOM 303 CE LYS A 20 1.045 6.782 -11.941 1.00 0.00 C ATOM 304 NZ LYS A 20 1.113 7.174 -13.378 1.00 0.00 N ATOM 0 H LYS A 20 -0.142 4.354 -9.916 1.00 0.00 H new ATOM 0 HA LYS A 20 1.709 2.765 -8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.445 3.818 -9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.200 3.398 -10.647 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.507 5.989 -9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.223 6.039 -9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.915 5.745 -12.252 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.540 4.680 -12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.025 6.504 -11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.319 7.627 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.469 7.972 -13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.086 7.456 -13.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.832 6.368 -13.971 1.00 0.00 H new ATOM 318 N LEU A 21 2.721 4.969 -6.975 1.00 0.00 N ATOM 319 CA LEU A 21 2.878 6.015 -5.926 1.00 0.00 C ATOM 320 C LEU A 21 4.338 6.465 -5.855 1.00 0.00 C ATOM 321 O LEU A 21 5.250 5.672 -5.979 1.00 0.00 O ATOM 322 CB LEU A 21 2.456 5.443 -4.572 1.00 0.00 C ATOM 323 CG LEU A 21 1.461 6.395 -3.908 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.039 5.872 -4.115 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.757 6.481 -2.410 1.00 0.00 C ATOM 0 H LEU A 21 3.555 4.414 -7.167 1.00 0.00 H new ATOM 0 HA LEU A 21 2.251 6.871 -6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.003 4.460 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.329 5.308 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 21 1.554 7.385 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.671 6.551 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.174 5.810 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.053 4.882 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.047 7.160 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.665 5.491 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.770 6.854 -2.260 1.00 0.00 H new ATOM 337 N THR A 22 4.565 7.734 -5.649 1.00 0.00 N ATOM 338 CA THR A 22 5.963 8.241 -5.561 1.00 0.00 C ATOM 339 C THR A 22 6.179 8.887 -4.191 1.00 0.00 C ATOM 340 O THR A 22 5.569 9.884 -3.862 1.00 0.00 O ATOM 341 CB THR A 22 6.203 9.282 -6.659 1.00 0.00 C ATOM 342 OG1 THR A 22 6.095 8.659 -7.931 1.00 0.00 O ATOM 343 CG2 THR A 22 7.601 9.885 -6.499 1.00 0.00 C ATOM 0 H THR A 22 3.840 8.443 -5.538 1.00 0.00 H new ATOM 0 HA THR A 22 6.660 7.413 -5.691 1.00 0.00 H new ATOM 0 HB THR A 22 5.459 10.074 -6.578 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.247 9.324 -8.635 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.770 10.625 -7.281 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.681 10.364 -5.523 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.349 9.096 -6.579 1.00 0.00 H new ATOM 351 N ILE A 23 7.041 8.326 -3.388 1.00 0.00 N ATOM 352 CA ILE A 23 7.289 8.907 -2.042 1.00 0.00 C ATOM 353 C ILE A 23 8.791 9.017 -1.797 1.00 0.00 C ATOM 354 O ILE A 23 9.597 8.703 -2.649 1.00 0.00 O ATOM 355 CB ILE A 23 6.679 8.003 -0.970 1.00 0.00 C ATOM 356 CG1 ILE A 23 7.102 6.553 -1.227 1.00 0.00 C ATOM 357 CG2 ILE A 23 5.155 8.108 -1.019 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.935 6.041 -0.046 1.00 0.00 C ATOM 0 H ILE A 23 7.583 7.490 -3.607 1.00 0.00 H new ATOM 0 HA ILE A 23 6.834 9.896 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 23 7.031 8.316 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.221 5.926 -1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.682 6.491 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.721 7.463 -0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.855 9.140 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.800 7.796 -2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.234 5.009 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.824 6.662 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.340 6.087 0.866 1.00 0.00 H new ATOM 370 N LYS A 24 9.172 9.450 -0.629 1.00 0.00 N ATOM 371 CA LYS A 24 10.620 9.564 -0.318 1.00 0.00 C ATOM 372 C LYS A 24 11.012 8.410 0.607 1.00 0.00 C ATOM 373 O LYS A 24 10.173 7.621 0.993 1.00 0.00 O ATOM 374 CB LYS A 24 10.896 10.903 0.372 1.00 0.00 C ATOM 375 CG LYS A 24 11.850 11.733 -0.490 1.00 0.00 C ATOM 376 CD LYS A 24 11.048 12.524 -1.526 1.00 0.00 C ATOM 377 CE LYS A 24 11.384 12.014 -2.928 1.00 0.00 C ATOM 378 NZ LYS A 24 10.728 12.882 -3.947 1.00 0.00 N ATOM 0 H LYS A 24 8.542 9.730 0.123 1.00 0.00 H new ATOM 0 HA LYS A 24 11.205 9.517 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.963 11.445 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.332 10.734 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.424 12.414 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.566 11.080 -0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.980 12.417 -1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.281 13.586 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.464 12.014 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.046 10.984 -3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.958 12.534 -4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.697 12.860 -3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.071 13.858 -3.844 1.00 0.00 H new ATOM 392 N PRO A 25 12.274 8.339 0.932 1.00 0.00 N ATOM 393 CA PRO A 25 12.800 7.280 1.807 1.00 0.00 C ATOM 394 C PRO A 25 12.455 7.577 3.269 1.00 0.00 C ATOM 395 O PRO A 25 13.290 8.009 4.037 1.00 0.00 O ATOM 396 CB PRO A 25 14.312 7.335 1.570 1.00 0.00 C ATOM 397 CG PRO A 25 14.617 8.752 1.026 1.00 0.00 C ATOM 398 CD PRO A 25 13.292 9.303 0.465 1.00 0.00 C ATOM 0 HA PRO A 25 12.381 6.296 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.857 7.148 2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.622 6.570 0.858 1.00 0.00 H new ATOM 0 HG2 PRO A 25 15.001 9.396 1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.380 8.713 0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.089 10.308 0.836 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.314 9.363 -0.623 1.00 0.00 H new ATOM 406 N GLY A 26 11.228 7.346 3.659 1.00 0.00 N ATOM 407 CA GLY A 26 10.837 7.615 5.073 1.00 0.00 C ATOM 408 C GLY A 26 9.526 8.399 5.111 1.00 0.00 C ATOM 409 O GLY A 26 8.911 8.545 6.149 1.00 0.00 O ATOM 0 H GLY A 26 10.484 6.985 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.724 6.675 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.623 8.179 5.575 1.00 0.00 H new ATOM 413 N ASP A 27 9.090 8.906 3.991 1.00 0.00 N ATOM 414 CA ASP A 27 7.817 9.679 3.975 1.00 0.00 C ATOM 415 C ASP A 27 6.704 8.839 4.606 1.00 0.00 C ATOM 416 O ASP A 27 6.936 7.750 5.093 1.00 0.00 O ATOM 417 CB ASP A 27 7.446 10.021 2.530 1.00 0.00 C ATOM 418 CG ASP A 27 8.095 11.351 2.138 1.00 0.00 C ATOM 419 OD1 ASP A 27 9.038 11.746 2.803 1.00 0.00 O ATOM 420 OD2 ASP A 27 7.636 11.951 1.180 1.00 0.00 O ATOM 0 H ASP A 27 9.558 8.819 3.089 1.00 0.00 H new ATOM 0 HA ASP A 27 7.942 10.600 4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.781 9.229 1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.363 10.088 2.427 1.00 0.00 H new ATOM 425 N THR A 28 5.497 9.335 4.605 1.00 0.00 N ATOM 426 CA THR A 28 4.374 8.568 5.205 1.00 0.00 C ATOM 427 C THR A 28 3.275 8.371 4.159 1.00 0.00 C ATOM 428 O THR A 28 3.050 9.215 3.314 1.00 0.00 O ATOM 429 CB THR A 28 3.810 9.342 6.401 1.00 0.00 C ATOM 430 OG1 THR A 28 4.871 9.688 7.281 1.00 0.00 O ATOM 431 CG2 THR A 28 2.793 8.474 7.144 1.00 0.00 C ATOM 0 H THR A 28 5.242 10.241 4.213 1.00 0.00 H new ATOM 0 HA THR A 28 4.735 7.595 5.539 1.00 0.00 H new ATOM 0 HB THR A 28 3.319 10.248 6.047 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.513 10.185 8.046 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.394 9.028 7.994 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.979 8.209 6.469 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.280 7.566 7.499 1.00 0.00 H new ATOM 439 N VAL A 29 2.586 7.264 4.209 1.00 0.00 N ATOM 440 CA VAL A 29 1.501 7.014 3.224 1.00 0.00 C ATOM 441 C VAL A 29 0.293 6.415 3.946 1.00 0.00 C ATOM 442 O VAL A 29 0.396 5.409 4.620 1.00 0.00 O ATOM 443 CB VAL A 29 1.995 6.041 2.150 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.066 6.106 0.936 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.413 6.428 1.725 1.00 0.00 C ATOM 0 H VAL A 29 2.730 6.521 4.893 1.00 0.00 H new ATOM 0 HA VAL A 29 1.214 7.953 2.751 1.00 0.00 H new ATOM 0 HB VAL A 29 1.998 5.028 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.418 5.413 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.055 5.832 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.063 7.119 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.765 5.736 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.409 7.441 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.077 6.383 2.589 1.00 0.00 H new ATOM 455 N GLU A 30 -0.850 7.032 3.821 1.00 0.00 N ATOM 456 CA GLU A 30 -2.058 6.509 4.510 1.00 0.00 C ATOM 457 C GLU A 30 -2.938 5.739 3.519 1.00 0.00 C ATOM 458 O GLU A 30 -3.257 6.219 2.449 1.00 0.00 O ATOM 459 CB GLU A 30 -2.847 7.685 5.100 1.00 0.00 C ATOM 460 CG GLU A 30 -4.280 7.248 5.422 1.00 0.00 C ATOM 461 CD GLU A 30 -4.250 6.053 6.377 1.00 0.00 C ATOM 462 OE1 GLU A 30 -3.175 5.726 6.851 1.00 0.00 O ATOM 463 OE2 GLU A 30 -5.303 5.486 6.616 1.00 0.00 O ATOM 0 H GLU A 30 -0.997 7.877 3.270 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.755 5.831 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.356 8.045 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.862 8.515 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.830 8.074 5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.804 6.980 4.505 1.00 0.00 H new ATOM 470 N PHE A 31 -3.348 4.553 3.881 1.00 0.00 N ATOM 471 CA PHE A 31 -4.225 3.751 2.981 1.00 0.00 C ATOM 472 C PHE A 31 -5.598 3.609 3.651 1.00 0.00 C ATOM 473 O PHE A 31 -5.706 3.642 4.860 1.00 0.00 O ATOM 474 CB PHE A 31 -3.612 2.362 2.748 1.00 0.00 C ATOM 475 CG PHE A 31 -2.113 2.410 2.955 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.319 3.257 2.169 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.515 1.604 3.933 1.00 0.00 C ATOM 478 CE1 PHE A 31 0.066 3.297 2.364 1.00 0.00 C ATOM 479 CE2 PHE A 31 -0.132 1.646 4.125 1.00 0.00 C ATOM 480 CZ PHE A 31 0.659 2.492 3.341 1.00 0.00 C ATOM 0 H PHE A 31 -3.112 4.104 4.766 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.325 4.249 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.058 1.640 3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.836 2.023 1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.776 3.878 1.413 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.124 0.950 4.539 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.677 3.950 1.759 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.327 1.025 4.880 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.728 2.523 3.490 1.00 0.00 H new ATOM 490 N LEU A 32 -6.651 3.475 2.888 1.00 0.00 N ATOM 491 CA LEU A 32 -7.999 3.353 3.511 1.00 0.00 C ATOM 492 C LEU A 32 -8.864 2.351 2.736 1.00 0.00 C ATOM 493 O LEU A 32 -8.430 1.751 1.772 1.00 0.00 O ATOM 494 CB LEU A 32 -8.680 4.722 3.504 1.00 0.00 C ATOM 495 CG LEU A 32 -8.627 5.310 2.093 1.00 0.00 C ATOM 496 CD1 LEU A 32 -9.920 4.974 1.349 1.00 0.00 C ATOM 497 CD2 LEU A 32 -8.471 6.829 2.181 1.00 0.00 C ATOM 0 H LEU A 32 -6.636 3.445 1.869 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.884 2.996 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.715 4.627 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.184 5.391 4.207 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.779 4.886 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.881 5.394 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.033 3.892 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.769 5.397 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.433 7.250 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.319 7.251 2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.549 7.070 2.710 1.00 0.00 H new ATOM 509 N ASN A 33 -10.096 2.181 3.147 1.00 0.00 N ATOM 510 CA ASN A 33 -11.009 1.237 2.438 1.00 0.00 C ATOM 511 C ASN A 33 -12.173 2.044 1.849 1.00 0.00 C ATOM 512 O ASN A 33 -12.523 3.091 2.356 1.00 0.00 O ATOM 513 CB ASN A 33 -11.521 0.175 3.431 1.00 0.00 C ATOM 514 CG ASN A 33 -12.828 0.603 4.094 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.133 1.775 4.189 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.612 -0.319 4.571 1.00 0.00 N ATOM 0 H ASN A 33 -10.509 2.659 3.948 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.484 0.723 1.633 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.671 -0.770 2.908 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.765 -0.001 4.197 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.487 -0.059 5.027 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.352 -1.302 4.489 1.00 0.00 H new ATOM 523 N ASN A 34 -12.775 1.581 0.789 1.00 0.00 N ATOM 524 CA ASN A 34 -13.906 2.351 0.196 1.00 0.00 C ATOM 525 C ASN A 34 -15.238 1.712 0.612 1.00 0.00 C ATOM 526 O ASN A 34 -15.638 1.795 1.756 1.00 0.00 O ATOM 527 CB ASN A 34 -13.778 2.366 -1.329 1.00 0.00 C ATOM 528 CG ASN A 34 -14.948 3.150 -1.925 1.00 0.00 C ATOM 529 OD1 ASN A 34 -15.568 3.946 -1.248 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.278 2.958 -3.172 1.00 0.00 N ATOM 0 H ASN A 34 -12.537 0.712 0.311 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.877 3.378 0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.832 2.822 -1.622 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.773 1.347 -1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.057 3.476 -3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.757 2.290 -3.740 1.00 0.00 H new ATOM 537 N LYS A 35 -15.934 1.078 -0.297 1.00 0.00 N ATOM 538 CA LYS A 35 -17.233 0.450 0.073 1.00 0.00 C ATOM 539 C LYS A 35 -17.247 -1.005 -0.399 1.00 0.00 C ATOM 540 O LYS A 35 -18.262 -1.523 -0.820 1.00 0.00 O ATOM 541 CB LYS A 35 -18.380 1.220 -0.588 1.00 0.00 C ATOM 542 CG LYS A 35 -19.546 1.347 0.395 1.00 0.00 C ATOM 543 CD LYS A 35 -20.258 2.685 0.175 1.00 0.00 C ATOM 544 CE LYS A 35 -21.772 2.473 0.231 1.00 0.00 C ATOM 545 NZ LYS A 35 -22.228 2.520 1.650 1.00 0.00 N ATOM 0 H LYS A 35 -15.659 0.970 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.358 0.479 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.039 2.209 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.706 0.703 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.246 0.523 0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.180 1.282 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.952 3.401 0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.974 3.106 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -22.280 3.242 -0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -22.032 1.513 -0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.257 2.376 1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.753 1.771 2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.992 3.446 2.060 1.00 0.00 H new ATOM 559 N VAL A 36 -16.125 -1.666 -0.324 1.00 0.00 N ATOM 560 CA VAL A 36 -16.058 -3.090 -0.760 1.00 0.00 C ATOM 561 C VAL A 36 -14.937 -3.799 0.009 1.00 0.00 C ATOM 562 O VAL A 36 -13.982 -4.266 -0.579 1.00 0.00 O ATOM 563 CB VAL A 36 -15.764 -3.150 -2.260 1.00 0.00 C ATOM 564 CG1 VAL A 36 -16.196 -4.508 -2.815 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.538 -2.041 -2.976 1.00 0.00 C ATOM 0 H VAL A 36 -15.247 -1.279 0.022 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.010 -3.581 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.695 -3.015 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.985 -4.548 -3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.646 -5.300 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.265 -4.645 -2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.329 -2.083 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.607 -2.177 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.231 -1.071 -2.584 1.00 0.00 H new ATOM 575 N PRO A 37 -15.088 -3.849 1.309 1.00 0.00 N ATOM 576 CA PRO A 37 -14.103 -4.484 2.204 1.00 0.00 C ATOM 577 C PRO A 37 -14.286 -6.007 2.212 1.00 0.00 C ATOM 578 O PRO A 37 -15.216 -6.520 1.623 1.00 0.00 O ATOM 579 CB PRO A 37 -14.447 -3.899 3.578 1.00 0.00 C ATOM 580 CG PRO A 37 -15.921 -3.438 3.503 1.00 0.00 C ATOM 581 CD PRO A 37 -16.256 -3.273 2.010 1.00 0.00 C ATOM 0 HA PRO A 37 -13.072 -4.300 1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.313 -4.645 4.362 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.791 -3.063 3.819 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.580 -4.171 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -16.060 -2.498 4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.175 -3.797 1.748 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.400 -2.225 1.748 1.00 0.00 H new ATOM 589 N PRO A 38 -13.406 -6.680 2.912 1.00 0.00 N ATOM 590 CA PRO A 38 -12.279 -6.051 3.624 1.00 0.00 C ATOM 591 C PRO A 38 -11.086 -5.872 2.685 1.00 0.00 C ATOM 592 O PRO A 38 -10.974 -6.537 1.675 1.00 0.00 O ATOM 593 CB PRO A 38 -11.940 -7.070 4.711 1.00 0.00 C ATOM 594 CG PRO A 38 -12.462 -8.438 4.206 1.00 0.00 C ATOM 595 CD PRO A 38 -13.481 -8.141 3.088 1.00 0.00 C ATOM 0 HA PRO A 38 -12.520 -5.062 4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.865 -7.106 4.888 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.410 -6.800 5.657 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.642 -9.049 3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.930 -8.997 5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.227 -8.667 2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.485 -8.458 3.370 1.00 0.00 H new ATOM 603 N HIS A 39 -10.188 -4.987 3.021 1.00 0.00 N ATOM 604 CA HIS A 39 -8.993 -4.769 2.157 1.00 0.00 C ATOM 605 C HIS A 39 -7.729 -5.149 2.931 1.00 0.00 C ATOM 606 O HIS A 39 -7.616 -4.901 4.114 1.00 0.00 O ATOM 607 CB HIS A 39 -8.918 -3.296 1.744 1.00 0.00 C ATOM 608 CG HIS A 39 -10.064 -2.978 0.827 1.00 0.00 C ATOM 609 ND1 HIS A 39 -9.919 -2.934 -0.558 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.385 -2.714 1.082 1.00 0.00 C ATOM 611 CE1 HIS A 39 -11.138 -2.657 -1.070 1.00 0.00 C ATOM 612 NE2 HIS A 39 -12.053 -2.523 -0.114 1.00 0.00 N ATOM 0 H HIS A 39 -10.230 -4.405 3.857 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.073 -5.389 1.264 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.955 -2.657 2.626 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.971 -3.094 1.244 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -9.058 -3.082 -1.084 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.834 -2.663 2.063 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.344 -2.557 -2.125 1.00 0.00 H new ATOM 620 N ASN A 40 -6.778 -5.752 2.271 1.00 0.00 N ATOM 621 CA ASN A 40 -5.523 -6.151 2.967 1.00 0.00 C ATOM 622 C ASN A 40 -4.338 -5.406 2.348 1.00 0.00 C ATOM 623 O ASN A 40 -4.131 -5.437 1.151 1.00 0.00 O ATOM 624 CB ASN A 40 -5.316 -7.660 2.809 1.00 0.00 C ATOM 625 CG ASN A 40 -4.688 -8.230 4.083 1.00 0.00 C ATOM 626 OD1 ASN A 40 -3.990 -7.447 4.859 1.00 0.00 O flip ATOM 627 ND2 ASN A 40 -4.835 -9.400 4.374 1.00 0.00 N flip ATOM 0 H ASN A 40 -6.817 -5.986 1.279 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.596 -5.900 4.025 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.270 -8.149 2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.672 -7.861 1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.381 -10.012 3.767 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.413 -9.771 5.225 1.00 0.00 H new ATOM 634 N VAL A 41 -3.558 -4.736 3.152 1.00 0.00 N ATOM 635 CA VAL A 41 -2.388 -3.990 2.608 1.00 0.00 C ATOM 636 C VAL A 41 -1.094 -4.590 3.170 1.00 0.00 C ATOM 637 O VAL A 41 -0.925 -4.720 4.366 1.00 0.00 O ATOM 638 CB VAL A 41 -2.494 -2.513 3.008 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.133 -1.829 2.845 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.519 -1.819 2.107 1.00 0.00 C ATOM 0 H VAL A 41 -3.681 -4.673 4.163 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.377 -4.068 1.521 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.808 -2.444 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.216 -0.780 3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.399 -2.322 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.814 -1.897 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.598 -0.769 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.200 -1.894 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.490 -2.300 2.224 1.00 0.00 H new ATOM 650 N VAL A 42 -0.182 -4.956 2.311 1.00 0.00 N ATOM 651 CA VAL A 42 1.103 -5.548 2.785 1.00 0.00 C ATOM 652 C VAL A 42 2.155 -5.427 1.679 1.00 0.00 C ATOM 653 O VAL A 42 1.838 -5.147 0.540 1.00 0.00 O ATOM 654 CB VAL A 42 0.904 -7.030 3.138 1.00 0.00 C ATOM 655 CG1 VAL A 42 0.815 -7.187 4.656 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.387 -7.556 2.499 1.00 0.00 C ATOM 0 H VAL A 42 -0.271 -4.871 1.298 1.00 0.00 H new ATOM 0 HA VAL A 42 1.436 -5.012 3.674 1.00 0.00 H new ATOM 0 HB VAL A 42 1.751 -7.600 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.674 -8.239 4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.736 -6.826 5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.028 -6.608 5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.518 -8.607 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.237 -6.983 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.325 -7.452 1.416 1.00 0.00 H new ATOM 666 N PHE A 43 3.403 -5.640 2.000 1.00 0.00 N ATOM 667 CA PHE A 43 4.465 -5.540 0.959 1.00 0.00 C ATOM 668 C PHE A 43 5.132 -6.906 0.781 1.00 0.00 C ATOM 669 O PHE A 43 5.849 -7.375 1.642 1.00 0.00 O ATOM 670 CB PHE A 43 5.516 -4.509 1.385 1.00 0.00 C ATOM 671 CG PHE A 43 4.845 -3.347 2.065 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.331 -3.501 3.355 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.748 -2.112 1.415 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.720 -2.423 3.995 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.140 -1.030 2.061 1.00 0.00 C ATOM 676 CZ PHE A 43 3.626 -1.189 3.352 1.00 0.00 C ATOM 0 H PHE A 43 3.732 -5.878 2.936 1.00 0.00 H new ATOM 0 HA PHE A 43 4.017 -5.226 0.016 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.238 -4.970 2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.071 -4.161 0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.407 -4.455 3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.142 -1.994 0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.319 -2.544 4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.068 -0.074 1.564 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.156 -0.355 3.852 1.00 0.00 H new ATOM 686 N ASP A 44 4.898 -7.549 -0.332 1.00 0.00 N ATOM 687 CA ASP A 44 5.514 -8.886 -0.570 1.00 0.00 C ATOM 688 C ASP A 44 7.028 -8.800 -0.364 1.00 0.00 C ATOM 689 O ASP A 44 7.652 -7.807 -0.680 1.00 0.00 O ATOM 690 CB ASP A 44 5.218 -9.332 -2.004 1.00 0.00 C ATOM 691 CG ASP A 44 5.468 -10.835 -2.136 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.335 -11.528 -1.140 1.00 0.00 O ATOM 693 OD2 ASP A 44 5.787 -11.269 -3.231 1.00 0.00 O ATOM 0 H ASP A 44 4.306 -7.205 -1.088 1.00 0.00 H new ATOM 0 HA ASP A 44 5.096 -9.608 0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.184 -9.101 -2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.850 -8.785 -2.703 1.00 0.00 H new ATOM 698 N ALA A 45 7.625 -9.834 0.163 1.00 0.00 N ATOM 699 CA ALA A 45 9.095 -9.813 0.387 1.00 0.00 C ATOM 700 C ALA A 45 9.811 -10.300 -0.876 1.00 0.00 C ATOM 701 O ALA A 45 10.958 -10.700 -0.835 1.00 0.00 O ATOM 702 CB ALA A 45 9.447 -10.732 1.558 1.00 0.00 C ATOM 0 H ALA A 45 7.155 -10.693 0.448 1.00 0.00 H new ATOM 0 HA ALA A 45 9.412 -8.796 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.525 -10.716 1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.938 -10.386 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.129 -11.750 1.330 1.00 0.00 H new ATOM 708 N ALA A 46 9.145 -10.275 -2.000 1.00 0.00 N ATOM 709 CA ALA A 46 9.792 -10.744 -3.259 1.00 0.00 C ATOM 710 C ALA A 46 9.796 -9.613 -4.290 1.00 0.00 C ATOM 711 O ALA A 46 10.674 -9.524 -5.125 1.00 0.00 O ATOM 712 CB ALA A 46 9.013 -11.938 -3.813 1.00 0.00 C ATOM 0 H ALA A 46 8.183 -9.951 -2.100 1.00 0.00 H new ATOM 0 HA ALA A 46 10.819 -11.042 -3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.483 -12.284 -4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.014 -12.745 -3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.986 -11.638 -4.021 1.00 0.00 H new ATOM 718 N LEU A 47 8.821 -8.747 -4.244 1.00 0.00 N ATOM 719 CA LEU A 47 8.773 -7.627 -5.226 1.00 0.00 C ATOM 720 C LEU A 47 9.390 -6.373 -4.602 1.00 0.00 C ATOM 721 O LEU A 47 8.738 -5.360 -4.447 1.00 0.00 O ATOM 722 CB LEU A 47 7.319 -7.344 -5.604 1.00 0.00 C ATOM 723 CG LEU A 47 6.771 -8.509 -6.430 1.00 0.00 C ATOM 724 CD1 LEU A 47 6.297 -9.623 -5.494 1.00 0.00 C ATOM 725 CD2 LEU A 47 5.595 -8.020 -7.278 1.00 0.00 C ATOM 0 H LEU A 47 8.056 -8.766 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 47 9.335 -7.902 -6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.718 -7.207 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.254 -6.417 -6.174 1.00 0.00 H new ATOM 0 HG LEU A 47 7.556 -8.894 -7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.907 -10.452 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.134 -9.970 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.512 -9.241 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.202 -8.848 -7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.811 -7.636 -6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.933 -7.227 -7.946 1.00 0.00 H new ATOM 737 N ASN A 48 10.642 -6.435 -4.240 1.00 0.00 N ATOM 738 CA ASN A 48 11.299 -5.250 -3.623 1.00 0.00 C ATOM 739 C ASN A 48 12.740 -5.141 -4.133 1.00 0.00 C ATOM 740 O ASN A 48 13.284 -6.096 -4.650 1.00 0.00 O ATOM 741 CB ASN A 48 11.301 -5.418 -2.103 1.00 0.00 C ATOM 742 CG ASN A 48 11.727 -6.843 -1.743 1.00 0.00 C ATOM 743 OD1 ASN A 48 12.372 -7.513 -2.524 1.00 0.00 O ATOM 744 ND2 ASN A 48 11.389 -7.337 -0.584 1.00 0.00 N ATOM 0 H ASN A 48 11.238 -7.256 -4.345 1.00 0.00 H new ATOM 0 HA ASN A 48 10.756 -4.344 -3.891 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.982 -4.699 -1.649 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.308 -5.213 -1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.666 -8.286 -0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.847 -6.774 0.072 1.00 0.00 H new ATOM 751 N PRO A 49 13.317 -3.977 -3.965 1.00 0.00 N ATOM 752 CA PRO A 49 14.701 -3.711 -4.396 1.00 0.00 C ATOM 753 C PRO A 49 15.684 -4.364 -3.423 1.00 0.00 C ATOM 754 O PRO A 49 16.847 -4.548 -3.722 1.00 0.00 O ATOM 755 CB PRO A 49 14.806 -2.184 -4.355 1.00 0.00 C ATOM 756 CG PRO A 49 13.698 -1.698 -3.391 1.00 0.00 C ATOM 757 CD PRO A 49 12.647 -2.822 -3.329 1.00 0.00 C ATOM 0 HA PRO A 49 14.936 -4.113 -5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.790 -1.871 -4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.671 -1.758 -5.349 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.107 -1.495 -2.401 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.252 -0.770 -3.749 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.361 -3.044 -2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.737 -2.546 -3.861 1.00 0.00 H new ATOM 765 N ALA A 50 15.214 -4.726 -2.262 1.00 0.00 N ATOM 766 CA ALA A 50 16.101 -5.381 -1.263 1.00 0.00 C ATOM 767 C ALA A 50 15.380 -6.601 -0.690 1.00 0.00 C ATOM 768 O ALA A 50 14.996 -6.618 0.461 1.00 0.00 O ATOM 769 CB ALA A 50 16.418 -4.397 -0.136 1.00 0.00 C ATOM 0 H ALA A 50 14.248 -4.595 -1.961 1.00 0.00 H new ATOM 0 HA ALA A 50 17.032 -5.690 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 50 17.068 -4.878 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.921 -3.522 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.492 -4.089 0.349 1.00 0.00 H new ATOM 775 N LYS A 51 15.185 -7.614 -1.492 1.00 0.00 N ATOM 776 CA LYS A 51 14.479 -8.838 -1.011 1.00 0.00 C ATOM 777 C LYS A 51 14.930 -9.177 0.411 1.00 0.00 C ATOM 778 O LYS A 51 15.909 -9.867 0.616 1.00 0.00 O ATOM 779 CB LYS A 51 14.801 -10.011 -1.941 1.00 0.00 C ATOM 780 CG LYS A 51 16.228 -9.866 -2.472 1.00 0.00 C ATOM 781 CD LYS A 51 16.184 -9.473 -3.950 1.00 0.00 C ATOM 782 CE LYS A 51 15.342 -10.490 -4.723 1.00 0.00 C ATOM 783 NZ LYS A 51 14.132 -9.816 -5.273 1.00 0.00 N ATOM 0 H LYS A 51 15.486 -7.646 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 51 13.405 -8.654 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.696 -10.954 -1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.094 -10.036 -2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.766 -9.110 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 51 16.770 -10.804 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.759 -8.475 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 51 17.194 -9.436 -4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.929 -10.924 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.049 -11.309 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.357 -10.505 -5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.846 -9.043 -4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.348 -9.429 -6.214 1.00 0.00 H new ATOM 797 N SER A 52 14.219 -8.698 1.395 1.00 0.00 N ATOM 798 CA SER A 52 14.598 -8.990 2.805 1.00 0.00 C ATOM 799 C SER A 52 13.332 -9.235 3.625 1.00 0.00 C ATOM 800 O SER A 52 12.285 -9.546 3.092 1.00 0.00 O ATOM 801 CB SER A 52 15.359 -7.798 3.387 1.00 0.00 C ATOM 802 OG SER A 52 16.452 -7.478 2.536 1.00 0.00 O ATOM 0 H SER A 52 13.390 -8.115 1.282 1.00 0.00 H new ATOM 0 HA SER A 52 15.233 -9.875 2.837 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.694 -6.939 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.720 -8.036 4.388 1.00 0.00 H new ATOM 0 HG SER A 52 16.125 -6.987 1.754 1.00 0.00 H new ATOM 808 N ALA A 53 13.417 -9.095 4.919 1.00 0.00 N ATOM 809 CA ALA A 53 12.217 -9.318 5.772 1.00 0.00 C ATOM 810 C ALA A 53 12.372 -8.547 7.085 1.00 0.00 C ATOM 811 O ALA A 53 12.314 -9.113 8.159 1.00 0.00 O ATOM 812 CB ALA A 53 12.077 -10.811 6.070 1.00 0.00 C ATOM 0 H ALA A 53 14.266 -8.836 5.422 1.00 0.00 H new ATOM 0 HA ALA A 53 11.328 -8.966 5.249 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.199 -10.977 6.694 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.966 -11.360 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.966 -11.162 6.594 1.00 0.00 H new ATOM 818 N ASP A 54 12.566 -7.260 7.009 1.00 0.00 N ATOM 819 CA ASP A 54 12.721 -6.455 8.249 1.00 0.00 C ATOM 820 C ASP A 54 11.955 -5.139 8.099 1.00 0.00 C ATOM 821 O ASP A 54 11.040 -4.856 8.846 1.00 0.00 O ATOM 822 CB ASP A 54 14.203 -6.164 8.491 1.00 0.00 C ATOM 823 CG ASP A 54 14.438 -5.922 9.983 1.00 0.00 C ATOM 824 OD1 ASP A 54 13.497 -6.081 10.744 1.00 0.00 O ATOM 825 OD2 ASP A 54 15.553 -5.580 10.340 1.00 0.00 O ATOM 0 H ASP A 54 12.624 -6.731 6.139 1.00 0.00 H new ATOM 0 HA ASP A 54 12.322 -7.012 9.097 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.810 -7.002 8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.512 -5.290 7.917 1.00 0.00 H new ATOM 830 N LEU A 55 12.317 -4.334 7.138 1.00 0.00 N ATOM 831 CA LEU A 55 11.600 -3.043 6.945 1.00 0.00 C ATOM 832 C LEU A 55 10.101 -3.320 6.807 1.00 0.00 C ATOM 833 O LEU A 55 9.272 -2.495 7.139 1.00 0.00 O ATOM 834 CB LEU A 55 12.126 -2.348 5.681 1.00 0.00 C ATOM 835 CG LEU A 55 11.489 -2.970 4.434 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.271 -2.142 4.020 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.506 -2.984 3.291 1.00 0.00 C ATOM 0 H LEU A 55 13.076 -4.514 6.480 1.00 0.00 H new ATOM 0 HA LEU A 55 11.770 -2.392 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.900 -1.283 5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.211 -2.442 5.630 1.00 0.00 H new ATOM 0 HG LEU A 55 11.179 -3.991 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.816 -2.583 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.545 -2.131 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.583 -1.121 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.051 -3.427 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.817 -1.963 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.376 -3.572 3.585 1.00 0.00 H new ATOM 849 N ALA A 56 9.748 -4.479 6.319 1.00 0.00 N ATOM 850 CA ALA A 56 8.306 -4.814 6.161 1.00 0.00 C ATOM 851 C ALA A 56 7.693 -5.067 7.540 1.00 0.00 C ATOM 852 O ALA A 56 6.576 -4.677 7.815 1.00 0.00 O ATOM 853 CB ALA A 56 8.165 -6.071 5.299 1.00 0.00 C ATOM 0 H ALA A 56 10.398 -5.208 6.023 1.00 0.00 H new ATOM 0 HA ALA A 56 7.788 -3.985 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.109 -6.316 5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.605 -5.891 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.680 -6.902 5.781 1.00 0.00 H new ATOM 859 N LYS A 57 8.417 -5.716 8.411 1.00 0.00 N ATOM 860 CA LYS A 57 7.877 -5.990 9.773 1.00 0.00 C ATOM 861 C LYS A 57 7.202 -4.728 10.313 1.00 0.00 C ATOM 862 O LYS A 57 6.113 -4.774 10.848 1.00 0.00 O ATOM 863 CB LYS A 57 9.024 -6.394 10.702 1.00 0.00 C ATOM 864 CG LYS A 57 8.551 -6.352 12.157 1.00 0.00 C ATOM 865 CD LYS A 57 9.608 -6.996 13.057 1.00 0.00 C ATOM 866 CE LYS A 57 9.220 -6.796 14.523 1.00 0.00 C ATOM 867 NZ LYS A 57 10.400 -7.072 15.391 1.00 0.00 N ATOM 0 H LYS A 57 9.359 -6.068 8.238 1.00 0.00 H new ATOM 0 HA LYS A 57 7.149 -6.799 9.723 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.371 -7.396 10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.870 -5.720 10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.376 -5.321 12.464 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.602 -6.880 12.257 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.692 -8.060 12.834 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.585 -6.552 12.864 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.869 -5.776 14.682 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.398 -7.461 14.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.137 -6.936 16.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.715 -8.052 15.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.172 -6.420 15.145 1.00 0.00 H new ATOM 881 N SER A 58 7.843 -3.600 10.177 1.00 0.00 N ATOM 882 CA SER A 58 7.240 -2.335 10.682 1.00 0.00 C ATOM 883 C SER A 58 6.565 -1.595 9.524 1.00 0.00 C ATOM 884 O SER A 58 6.410 -0.390 9.550 1.00 0.00 O ATOM 885 CB SER A 58 8.336 -1.453 11.283 1.00 0.00 C ATOM 886 OG SER A 58 9.307 -2.278 11.914 1.00 0.00 O ATOM 0 H SER A 58 8.758 -3.500 9.738 1.00 0.00 H new ATOM 0 HA SER A 58 6.499 -2.564 11.447 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.804 -0.852 10.503 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.906 -0.759 12.006 1.00 0.00 H new ATOM 0 HG SER A 58 10.012 -1.717 12.299 1.00 0.00 H new ATOM 892 N LEU A 59 6.161 -2.309 8.509 1.00 0.00 N ATOM 893 CA LEU A 59 5.494 -1.653 7.348 1.00 0.00 C ATOM 894 C LEU A 59 4.161 -2.345 7.076 1.00 0.00 C ATOM 895 O LEU A 59 3.123 -1.717 7.017 1.00 0.00 O ATOM 896 CB LEU A 59 6.380 -1.783 6.107 1.00 0.00 C ATOM 897 CG LEU A 59 6.169 -0.588 5.177 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.729 0.677 5.829 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.907 -0.846 3.861 1.00 0.00 C ATOM 0 H LEU A 59 6.264 -3.321 8.433 1.00 0.00 H new ATOM 0 HA LEU A 59 5.329 -0.600 7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.427 -1.841 6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.146 -2.708 5.580 1.00 0.00 H new ATOM 0 HG LEU A 59 5.104 -0.455 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.577 1.527 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.214 0.858 6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.795 0.549 6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.762 0.001 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.971 -0.974 4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.514 -1.749 3.394 1.00 0.00 H new ATOM 911 N SER A 60 4.184 -3.638 6.888 1.00 0.00 N ATOM 912 CA SER A 60 2.921 -4.373 6.595 1.00 0.00 C ATOM 913 C SER A 60 2.129 -4.590 7.884 1.00 0.00 C ATOM 914 O SER A 60 2.685 -4.752 8.952 1.00 0.00 O ATOM 915 CB SER A 60 3.257 -5.730 5.973 1.00 0.00 C ATOM 916 OG SER A 60 4.665 -5.926 6.004 1.00 0.00 O ATOM 0 H SER A 60 5.024 -4.216 6.925 1.00 0.00 H new ATOM 0 HA SER A 60 2.320 -3.786 5.901 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.755 -6.528 6.520 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.895 -5.772 4.946 1.00 0.00 H new ATOM 0 HG SER A 60 4.883 -6.795 5.608 1.00 0.00 H new ATOM 922 N HIS A 61 0.829 -4.589 7.783 1.00 0.00 N ATOM 923 CA HIS A 61 -0.020 -4.791 8.988 1.00 0.00 C ATOM 924 C HIS A 61 -0.925 -6.005 8.768 1.00 0.00 C ATOM 925 O HIS A 61 -0.955 -6.582 7.699 1.00 0.00 O ATOM 926 CB HIS A 61 -0.885 -3.548 9.208 1.00 0.00 C ATOM 927 CG HIS A 61 -1.912 -3.457 8.113 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.067 -4.230 8.118 1.00 0.00 N ATOM 929 CD2 HIS A 61 -1.970 -2.696 6.972 1.00 0.00 C ATOM 930 CE1 HIS A 61 -3.762 -3.915 7.007 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.137 -2.989 6.280 1.00 0.00 N ATOM 0 H HIS A 61 0.316 -4.456 6.911 1.00 0.00 H new ATOM 0 HA HIS A 61 0.612 -4.958 9.861 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.376 -3.600 10.180 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.262 -2.654 9.213 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.338 -4.909 8.829 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.223 -1.980 6.661 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.709 -4.359 6.739 1.00 0.00 H new ATOM 939 N LYS A 62 -1.667 -6.394 9.766 1.00 0.00 N ATOM 940 CA LYS A 62 -2.571 -7.567 9.608 1.00 0.00 C ATOM 941 C LYS A 62 -3.998 -7.156 9.974 1.00 0.00 C ATOM 942 O LYS A 62 -4.333 -5.988 9.986 1.00 0.00 O ATOM 943 CB LYS A 62 -2.109 -8.696 10.531 1.00 0.00 C ATOM 944 CG LYS A 62 -0.587 -8.827 10.460 1.00 0.00 C ATOM 945 CD LYS A 62 -0.196 -10.298 10.611 1.00 0.00 C ATOM 946 CE LYS A 62 0.842 -10.438 11.726 1.00 0.00 C ATOM 947 NZ LYS A 62 0.156 -10.416 13.047 1.00 0.00 N ATOM 0 H LYS A 62 -1.687 -5.951 10.684 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.545 -7.914 8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.419 -8.491 11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.579 -9.635 10.237 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.221 -8.438 9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.123 -8.233 11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.077 -10.898 10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.210 -10.676 9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.396 -11.369 11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.567 -9.626 11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.861 -10.511 13.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.354 -9.516 13.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.519 -11.205 13.101 1.00 0.00 H new ATOM 961 N GLN A 63 -4.841 -8.104 10.278 1.00 0.00 N ATOM 962 CA GLN A 63 -6.241 -7.763 10.648 1.00 0.00 C ATOM 963 C GLN A 63 -6.965 -7.161 9.440 1.00 0.00 C ATOM 964 O GLN A 63 -6.435 -6.322 8.740 1.00 0.00 O ATOM 965 CB GLN A 63 -6.226 -6.749 11.791 1.00 0.00 C ATOM 966 CG GLN A 63 -7.108 -7.255 12.933 1.00 0.00 C ATOM 967 CD GLN A 63 -6.240 -7.979 13.964 1.00 0.00 C ATOM 968 OE1 GLN A 63 -5.116 -8.342 13.680 1.00 0.00 O ATOM 969 NE2 GLN A 63 -6.716 -8.206 15.157 1.00 0.00 N ATOM 0 H GLN A 63 -4.620 -9.100 10.286 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.763 -8.666 10.964 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.206 -6.598 12.144 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.587 -5.783 11.439 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.629 -6.420 13.402 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.871 -7.930 12.546 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.660 -7.901 15.396 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.145 -8.688 15.851 1.00 0.00 H new ATOM 978 N LEU A 64 -8.175 -7.584 9.196 1.00 0.00 N ATOM 979 CA LEU A 64 -8.940 -7.039 8.039 1.00 0.00 C ATOM 980 C LEU A 64 -9.210 -5.549 8.259 1.00 0.00 C ATOM 981 O LEU A 64 -9.182 -5.064 9.373 1.00 0.00 O ATOM 982 CB LEU A 64 -10.269 -7.784 7.917 1.00 0.00 C ATOM 983 CG LEU A 64 -10.019 -9.264 7.595 1.00 0.00 C ATOM 984 CD1 LEU A 64 -11.239 -9.824 6.880 1.00 0.00 C ATOM 985 CD2 LEU A 64 -8.796 -9.420 6.681 1.00 0.00 C ATOM 0 H LEU A 64 -8.668 -8.285 9.749 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.361 -7.170 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.830 -7.696 8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.877 -7.332 7.134 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.836 -9.801 8.526 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.073 -10.876 6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.113 -9.729 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.406 -9.269 5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.636 -10.476 6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.967 -8.881 5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.915 -9.014 7.179 1.00 0.00 H new ATOM 997 N LEU A 65 -9.475 -4.816 7.211 1.00 0.00 N ATOM 998 CA LEU A 65 -9.747 -3.360 7.375 1.00 0.00 C ATOM 999 C LEU A 65 -11.189 -3.169 7.852 1.00 0.00 C ATOM 1000 O LEU A 65 -12.097 -2.995 7.063 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.558 -2.652 6.031 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.132 -2.100 5.919 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -7.129 -3.118 6.469 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -7.817 -1.824 4.446 1.00 0.00 C ATOM 0 H LEU A 65 -9.515 -5.161 6.252 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.059 -2.938 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.751 -3.348 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.279 -1.840 5.935 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.056 -1.179 6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.119 -2.716 6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.353 -3.320 7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.200 -4.044 5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.804 -1.431 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.898 -2.750 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.525 -1.094 4.053 1.00 0.00 H new ATOM 1016 N MET A 66 -11.408 -3.206 9.139 1.00 0.00 N ATOM 1017 CA MET A 66 -12.791 -3.033 9.668 1.00 0.00 C ATOM 1018 C MET A 66 -13.123 -1.542 9.771 1.00 0.00 C ATOM 1019 O MET A 66 -14.172 -1.163 10.254 1.00 0.00 O ATOM 1020 CB MET A 66 -12.886 -3.669 11.055 1.00 0.00 C ATOM 1021 CG MET A 66 -13.234 -5.153 10.917 1.00 0.00 C ATOM 1022 SD MET A 66 -11.727 -6.144 11.077 1.00 0.00 S ATOM 1023 CE MET A 66 -12.517 -7.772 11.042 1.00 0.00 C ATOM 0 H MET A 66 -10.688 -3.349 9.847 1.00 0.00 H new ATOM 0 HA MET A 66 -13.498 -3.515 8.993 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.940 -3.555 11.584 1.00 0.00 H new ATOM 0 HB3 MET A 66 -13.646 -3.161 11.648 1.00 0.00 H new ATOM 0 HG2 MET A 66 -13.954 -5.441 11.682 1.00 0.00 H new ATOM 0 HG3 MET A 66 -13.704 -5.339 9.951 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.756 -8.548 11.129 1.00 0.00 H new ATOM 0 HE2 MET A 66 -13.217 -7.855 11.874 1.00 0.00 H new ATOM 0 HE3 MET A 66 -13.055 -7.895 10.102 1.00 0.00 H new ATOM 1033 N SER A 67 -12.242 -0.692 9.319 1.00 0.00 N ATOM 1034 CA SER A 67 -12.514 0.771 9.392 1.00 0.00 C ATOM 1035 C SER A 67 -12.928 1.272 8.003 1.00 0.00 C ATOM 1036 O SER A 67 -12.146 1.218 7.075 1.00 0.00 O ATOM 1037 CB SER A 67 -11.250 1.502 9.843 1.00 0.00 C ATOM 1038 OG SER A 67 -11.575 2.850 10.160 1.00 0.00 O ATOM 0 H SER A 67 -11.346 -0.947 8.903 1.00 0.00 H new ATOM 0 HA SER A 67 -13.315 0.963 10.106 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.819 1.005 10.713 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.498 1.473 9.054 1.00 0.00 H new ATOM 0 HG SER A 67 -11.025 3.151 10.913 1.00 0.00 H new ATOM 1044 N PRO A 68 -14.149 1.735 7.894 1.00 0.00 N ATOM 1045 CA PRO A 68 -14.692 2.237 6.620 1.00 0.00 C ATOM 1046 C PRO A 68 -14.187 3.652 6.328 1.00 0.00 C ATOM 1047 O PRO A 68 -14.753 4.627 6.782 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.206 2.237 6.850 1.00 0.00 C ATOM 1049 CG PRO A 68 -16.414 2.291 8.382 1.00 0.00 C ATOM 1050 CD PRO A 68 -15.101 1.803 9.022 1.00 0.00 C ATOM 0 HA PRO A 68 -14.391 1.632 5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.673 3.094 6.364 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.663 1.342 6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.649 3.305 8.706 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -17.250 1.659 8.682 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.755 2.491 9.794 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.227 0.829 9.496 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.135 3.778 5.563 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.618 5.139 5.240 1.00 0.00 C ATOM 1060 C GLY A 69 -11.126 5.226 5.565 1.00 0.00 C ATOM 1061 O GLY A 69 -10.435 6.116 5.110 1.00 0.00 O ATOM 0 H GLY A 69 -12.615 3.003 5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.781 5.357 4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.166 5.889 5.810 1.00 0.00 H new ATOM 1065 N GLN A 70 -10.621 4.315 6.349 1.00 0.00 N ATOM 1066 CA GLN A 70 -9.173 4.360 6.698 1.00 0.00 C ATOM 1067 C GLN A 70 -8.660 2.941 6.942 1.00 0.00 C ATOM 1068 O GLN A 70 -9.388 2.076 7.386 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.981 5.189 7.968 1.00 0.00 C ATOM 1070 CG GLN A 70 -9.654 4.478 9.145 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.549 5.348 10.398 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -8.705 5.119 11.241 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -10.378 6.343 10.558 1.00 0.00 N ATOM 0 H GLN A 70 -11.146 3.544 6.762 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.618 4.812 5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.918 5.325 8.170 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.410 6.182 7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.701 4.281 8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.179 3.513 9.319 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.087 6.535 9.850 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.317 6.929 11.391 1.00 0.00 H new ATOM 1082 N SER A 71 -7.408 2.693 6.665 1.00 0.00 N ATOM 1083 CA SER A 71 -6.861 1.328 6.896 1.00 0.00 C ATOM 1084 C SER A 71 -5.707 1.403 7.898 1.00 0.00 C ATOM 1085 O SER A 71 -5.862 1.095 9.063 1.00 0.00 O ATOM 1086 CB SER A 71 -6.357 0.731 5.582 1.00 0.00 C ATOM 1087 OG SER A 71 -5.191 1.422 5.162 1.00 0.00 O ATOM 0 H SER A 71 -6.745 3.372 6.291 1.00 0.00 H new ATOM 0 HA SER A 71 -7.652 0.692 7.293 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.137 -0.328 5.713 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.130 0.804 4.817 1.00 0.00 H new ATOM 0 HG SER A 71 -5.244 2.358 5.448 1.00 0.00 H new ATOM 1093 N THR A 72 -4.550 1.811 7.452 1.00 0.00 N ATOM 1094 CA THR A 72 -3.386 1.907 8.375 1.00 0.00 C ATOM 1095 C THR A 72 -2.335 2.842 7.773 1.00 0.00 C ATOM 1096 O THR A 72 -1.805 2.592 6.708 1.00 0.00 O ATOM 1097 CB THR A 72 -2.776 0.518 8.570 1.00 0.00 C ATOM 1098 OG1 THR A 72 -3.675 -0.291 9.314 1.00 0.00 O ATOM 1099 CG2 THR A 72 -1.452 0.642 9.325 1.00 0.00 C ATOM 0 H THR A 72 -4.362 2.082 6.487 1.00 0.00 H new ATOM 0 HA THR A 72 -3.716 2.300 9.337 1.00 0.00 H new ATOM 0 HB THR A 72 -2.595 0.060 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.420 0.258 9.636 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.018 -0.348 9.464 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.763 1.263 8.752 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.630 1.100 10.298 1.00 0.00 H new ATOM 1107 N SER A 73 -2.025 3.915 8.447 1.00 0.00 N ATOM 1108 CA SER A 73 -1.006 4.861 7.912 1.00 0.00 C ATOM 1109 C SER A 73 0.391 4.309 8.195 1.00 0.00 C ATOM 1110 O SER A 73 0.911 4.432 9.287 1.00 0.00 O ATOM 1111 CB SER A 73 -1.172 6.224 8.590 1.00 0.00 C ATOM 1112 OG SER A 73 0.105 6.729 8.960 1.00 0.00 O ATOM 0 H SER A 73 -2.433 4.177 9.344 1.00 0.00 H new ATOM 0 HA SER A 73 -1.138 4.977 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.668 6.920 7.914 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.806 6.129 9.471 1.00 0.00 H new ATOM 0 HG SER A 73 0.508 6.139 9.631 1.00 0.00 H new ATOM 1118 N THR A 74 1.002 3.700 7.218 1.00 0.00 N ATOM 1119 CA THR A 74 2.363 3.136 7.428 1.00 0.00 C ATOM 1120 C THR A 74 3.408 4.240 7.266 1.00 0.00 C ATOM 1121 O THR A 74 3.672 4.703 6.174 1.00 0.00 O ATOM 1122 CB THR A 74 2.625 2.037 6.396 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.783 0.925 6.667 1.00 0.00 O ATOM 1124 CG2 THR A 74 4.089 1.603 6.473 1.00 0.00 C ATOM 0 H THR A 74 0.617 3.569 6.283 1.00 0.00 H new ATOM 0 HA THR A 74 2.428 2.718 8.433 1.00 0.00 H new ATOM 0 HB THR A 74 2.414 2.417 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.327 0.114 6.745 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.276 0.820 5.738 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.733 2.457 6.265 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.303 1.222 7.471 1.00 0.00 H new ATOM 1132 N THR A 75 4.011 4.657 8.343 1.00 0.00 N ATOM 1133 CA THR A 75 5.046 5.720 8.254 1.00 0.00 C ATOM 1134 C THR A 75 6.354 5.092 7.783 1.00 0.00 C ATOM 1135 O THR A 75 7.190 4.716 8.580 1.00 0.00 O ATOM 1136 CB THR A 75 5.257 6.350 9.633 1.00 0.00 C ATOM 1137 OG1 THR A 75 4.413 5.709 10.579 1.00 0.00 O ATOM 1138 CG2 THR A 75 4.921 7.839 9.571 1.00 0.00 C ATOM 0 H THR A 75 3.830 4.306 9.283 1.00 0.00 H new ATOM 0 HA THR A 75 4.724 6.490 7.552 1.00 0.00 H new ATOM 0 HB THR A 75 6.297 6.228 9.934 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.548 6.110 11.463 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.071 8.287 10.553 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.571 8.329 8.845 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.881 7.965 9.270 1.00 0.00 H new ATOM 1146 N PHE A 76 6.531 4.968 6.493 1.00 0.00 N ATOM 1147 CA PHE A 76 7.782 4.357 5.965 1.00 0.00 C ATOM 1148 C PHE A 76 8.973 4.859 6.793 1.00 0.00 C ATOM 1149 O PHE A 76 9.038 6.024 7.132 1.00 0.00 O ATOM 1150 CB PHE A 76 7.953 4.750 4.497 1.00 0.00 C ATOM 1151 CG PHE A 76 7.164 3.795 3.627 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.773 3.931 3.505 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.827 2.772 2.938 1.00 0.00 C ATOM 1154 CE1 PHE A 76 5.054 3.045 2.694 1.00 0.00 C ATOM 1155 CE2 PHE A 76 7.106 1.887 2.130 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.721 2.025 2.008 1.00 0.00 C ATOM 0 H PHE A 76 5.861 5.265 5.783 1.00 0.00 H new ATOM 0 HA PHE A 76 7.730 3.271 6.037 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.608 5.772 4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.007 4.723 4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.258 4.718 4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.898 2.666 3.031 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.983 3.149 2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.619 1.098 1.601 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.164 1.343 1.383 1.00 0.00 H new ATOM 1166 N PRO A 77 9.863 3.956 7.122 1.00 0.00 N ATOM 1167 CA PRO A 77 11.046 4.269 7.947 1.00 0.00 C ATOM 1168 C PRO A 77 12.134 4.971 7.133 1.00 0.00 C ATOM 1169 O PRO A 77 12.038 5.111 5.931 1.00 0.00 O ATOM 1170 CB PRO A 77 11.532 2.894 8.408 1.00 0.00 C ATOM 1171 CG PRO A 77 10.974 1.868 7.395 1.00 0.00 C ATOM 1172 CD PRO A 77 9.779 2.542 6.700 1.00 0.00 C ATOM 0 HA PRO A 77 10.810 4.946 8.768 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.621 2.857 8.437 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.179 2.676 9.416 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.736 1.587 6.669 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.663 0.954 7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.843 2.446 5.616 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.835 2.091 7.005 1.00 0.00 H new ATOM 1180 N ALA A 78 13.182 5.394 7.790 1.00 0.00 N ATOM 1181 CA ALA A 78 14.296 6.071 7.071 1.00 0.00 C ATOM 1182 C ALA A 78 15.145 5.019 6.353 1.00 0.00 C ATOM 1183 O ALA A 78 16.152 5.328 5.748 1.00 0.00 O ATOM 1184 CB ALA A 78 15.165 6.832 8.073 1.00 0.00 C ATOM 0 H ALA A 78 13.313 5.298 8.797 1.00 0.00 H new ATOM 0 HA ALA A 78 13.888 6.772 6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.980 7.327 7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.559 7.578 8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.576 6.134 8.802 1.00 0.00 H new ATOM 1190 N ASP A 79 14.740 3.777 6.406 1.00 0.00 N ATOM 1191 CA ASP A 79 15.515 2.712 5.719 1.00 0.00 C ATOM 1192 C ASP A 79 14.858 2.425 4.369 1.00 0.00 C ATOM 1193 O ASP A 79 15.416 1.745 3.532 1.00 0.00 O ATOM 1194 CB ASP A 79 15.513 1.441 6.573 1.00 0.00 C ATOM 1195 CG ASP A 79 16.860 1.299 7.284 1.00 0.00 C ATOM 1196 OD1 ASP A 79 17.347 2.295 7.792 1.00 0.00 O ATOM 1197 OD2 ASP A 79 17.381 0.196 7.308 1.00 0.00 O ATOM 0 H ASP A 79 13.905 3.458 6.897 1.00 0.00 H new ATOM 0 HA ASP A 79 16.545 3.037 5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.707 1.484 7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.328 0.569 5.945 1.00 0.00 H new ATOM 1202 N ALA A 80 13.677 2.956 4.152 1.00 0.00 N ATOM 1203 CA ALA A 80 12.980 2.740 2.851 1.00 0.00 C ATOM 1204 C ALA A 80 14.010 2.816 1.717 1.00 0.00 C ATOM 1205 O ALA A 80 14.548 3.872 1.447 1.00 0.00 O ATOM 1206 CB ALA A 80 11.931 3.838 2.656 1.00 0.00 C ATOM 0 H ALA A 80 13.168 3.530 4.824 1.00 0.00 H new ATOM 0 HA ALA A 80 12.494 1.764 2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.418 3.686 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.207 3.799 3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.420 4.812 2.652 1.00 0.00 H new ATOM 1212 N PRO A 81 14.270 1.693 1.095 1.00 0.00 N ATOM 1213 CA PRO A 81 15.251 1.610 -0.002 1.00 0.00 C ATOM 1214 C PRO A 81 14.678 2.213 -1.286 1.00 0.00 C ATOM 1215 O PRO A 81 13.576 1.904 -1.693 1.00 0.00 O ATOM 1216 CB PRO A 81 15.494 0.105 -0.154 1.00 0.00 C ATOM 1217 CG PRO A 81 14.257 -0.598 0.451 1.00 0.00 C ATOM 1218 CD PRO A 81 13.609 0.411 1.415 1.00 0.00 C ATOM 0 HA PRO A 81 16.168 2.163 0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.620 -0.164 -1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.404 -0.196 0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.557 -0.892 -0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.547 -1.507 0.978 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.531 0.470 1.264 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.770 0.128 2.455 1.00 0.00 H new ATOM 1226 N ALA A 82 15.423 3.073 -1.924 1.00 0.00 N ATOM 1227 CA ALA A 82 14.930 3.702 -3.181 1.00 0.00 C ATOM 1228 C ALA A 82 14.568 2.609 -4.187 1.00 0.00 C ATOM 1229 O ALA A 82 14.985 1.476 -4.062 1.00 0.00 O ATOM 1230 CB ALA A 82 16.027 4.592 -3.768 1.00 0.00 C ATOM 0 H ALA A 82 16.354 3.368 -1.628 1.00 0.00 H new ATOM 0 HA ALA A 82 14.048 4.306 -2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.668 5.053 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.288 5.370 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.908 3.988 -3.985 1.00 0.00 H new ATOM 1236 N GLY A 83 13.798 2.939 -5.186 1.00 0.00 N ATOM 1237 CA GLY A 83 13.416 1.913 -6.197 1.00 0.00 C ATOM 1238 C GLY A 83 11.894 1.863 -6.331 1.00 0.00 C ATOM 1239 O GLY A 83 11.262 2.827 -6.719 1.00 0.00 O ATOM 0 H GLY A 83 13.417 3.872 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.868 2.152 -7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.797 0.936 -5.899 1.00 0.00 H new ATOM 1243 N GLU A 84 11.299 0.745 -6.019 1.00 0.00 N ATOM 1244 CA GLU A 84 9.818 0.632 -6.133 1.00 0.00 C ATOM 1245 C GLU A 84 9.323 -0.540 -5.284 1.00 0.00 C ATOM 1246 O GLU A 84 9.730 -1.670 -5.470 1.00 0.00 O ATOM 1247 CB GLU A 84 9.441 0.393 -7.596 1.00 0.00 C ATOM 1248 CG GLU A 84 10.516 -0.468 -8.265 1.00 0.00 C ATOM 1249 CD GLU A 84 9.850 -1.598 -9.051 1.00 0.00 C ATOM 1250 OE1 GLU A 84 8.688 -1.867 -8.795 1.00 0.00 O ATOM 1251 OE2 GLU A 84 10.515 -2.178 -9.894 1.00 0.00 O ATOM 0 H GLU A 84 11.774 -0.095 -5.690 1.00 0.00 H new ATOM 0 HA GLU A 84 9.356 1.554 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.472 -0.103 -7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.345 1.345 -8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.124 0.144 -8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.187 -0.881 -7.512 1.00 0.00 H new ATOM 1258 N TYR A 85 8.439 -0.285 -4.359 1.00 0.00 N ATOM 1259 CA TYR A 85 7.913 -1.389 -3.509 1.00 0.00 C ATOM 1260 C TYR A 85 6.738 -2.048 -4.232 1.00 0.00 C ATOM 1261 O TYR A 85 6.540 -1.844 -5.414 1.00 0.00 O ATOM 1262 CB TYR A 85 7.451 -0.820 -2.166 1.00 0.00 C ATOM 1263 CG TYR A 85 8.522 0.091 -1.608 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.853 -0.057 -2.019 1.00 0.00 C ATOM 1265 CD2 TYR A 85 8.183 1.084 -0.682 1.00 0.00 C ATOM 1266 CE1 TYR A 85 10.843 0.788 -1.505 1.00 0.00 C ATOM 1267 CE2 TYR A 85 9.174 1.929 -0.166 1.00 0.00 C ATOM 1268 CZ TYR A 85 10.504 1.781 -0.579 1.00 0.00 C ATOM 1269 OH TYR A 85 11.480 2.614 -0.074 1.00 0.00 O ATOM 0 H TYR A 85 8.059 0.639 -4.155 1.00 0.00 H new ATOM 0 HA TYR A 85 8.692 -2.130 -3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.520 -0.268 -2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.248 -1.631 -1.466 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.115 -0.824 -2.733 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.157 1.199 -0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.869 0.674 -1.823 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.913 2.694 0.550 1.00 0.00 H new ATOM 0 HH TYR A 85 12.277 2.567 -0.643 1.00 0.00 H new ATOM 1279 N THR A 86 5.955 -2.838 -3.549 1.00 0.00 N ATOM 1280 CA THR A 86 4.808 -3.493 -4.239 1.00 0.00 C ATOM 1281 C THR A 86 3.820 -4.066 -3.220 1.00 0.00 C ATOM 1282 O THR A 86 4.025 -5.131 -2.671 1.00 0.00 O ATOM 1283 CB THR A 86 5.331 -4.626 -5.125 1.00 0.00 C ATOM 1284 OG1 THR A 86 6.398 -4.141 -5.930 1.00 0.00 O ATOM 1285 CG2 THR A 86 4.202 -5.134 -6.022 1.00 0.00 C ATOM 0 H THR A 86 6.057 -3.056 -2.558 1.00 0.00 H new ATOM 0 HA THR A 86 4.294 -2.748 -4.846 1.00 0.00 H new ATOM 0 HB THR A 86 5.691 -5.443 -4.499 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.244 -3.197 -6.143 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.574 -5.941 -6.653 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.385 -5.505 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.841 -4.319 -6.650 1.00 0.00 H new ATOM 1293 N PHE A 87 2.735 -3.379 -2.983 1.00 0.00 N ATOM 1294 CA PHE A 87 1.721 -3.896 -2.027 1.00 0.00 C ATOM 1295 C PHE A 87 0.504 -4.376 -2.820 1.00 0.00 C ATOM 1296 O PHE A 87 0.369 -4.083 -3.991 1.00 0.00 O ATOM 1297 CB PHE A 87 1.307 -2.798 -1.043 1.00 0.00 C ATOM 1298 CG PHE A 87 1.442 -1.458 -1.708 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.696 -0.848 -1.784 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.320 -0.831 -2.254 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.831 0.394 -2.406 1.00 0.00 C ATOM 1302 CE2 PHE A 87 0.451 0.412 -2.876 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.708 1.027 -2.954 1.00 0.00 C ATOM 0 H PHE A 87 2.509 -2.481 -3.412 1.00 0.00 H new ATOM 0 HA PHE A 87 2.143 -4.723 -1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.278 -2.954 -0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.932 -2.839 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.561 -1.337 -1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.648 -1.307 -2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.800 0.867 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.416 0.899 -3.297 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.811 1.988 -3.436 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.380 -5.117 -2.210 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.565 -5.606 -2.965 1.00 0.00 C ATOM 1315 C TYR A 88 -2.708 -5.939 -2.007 1.00 0.00 C ATOM 1316 O TYR A 88 -2.652 -5.657 -0.827 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.182 -6.863 -3.748 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.743 -7.939 -2.783 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.417 -7.762 -2.020 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.497 -9.111 -2.651 1.00 0.00 C ATOM 1321 CE1 TYR A 88 0.824 -8.758 -1.124 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -1.089 -10.107 -1.755 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.072 -9.930 -0.991 1.00 0.00 C ATOM 1324 OH TYR A 88 0.473 -10.912 -0.108 1.00 0.00 O ATOM 0 H TYR A 88 -0.333 -5.402 -1.232 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.894 -4.824 -3.650 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.031 -7.211 -4.337 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.378 -6.638 -4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.998 -6.857 -2.122 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.392 -9.247 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.719 -8.621 -0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.670 -11.012 -1.653 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.162 -11.658 -0.138 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.748 -6.541 -2.517 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.909 -6.901 -1.659 1.00 0.00 C ATOM 1336 C CYS A 89 -5.110 -8.417 -1.689 1.00 0.00 C ATOM 1337 O CYS A 89 -4.922 -9.056 -2.705 1.00 0.00 O ATOM 1338 CB CYS A 89 -6.167 -6.223 -2.205 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.780 -5.007 -1.013 1.00 0.00 S ATOM 0 H CYS A 89 -3.842 -6.800 -3.499 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.723 -6.573 -0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.944 -5.735 -3.154 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.936 -6.970 -2.404 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.934 -4.896 -0.032 1.00 0.00 H new ATOM 1344 N GLU A 90 -5.500 -8.995 -0.587 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.723 -10.467 -0.561 1.00 0.00 C ATOM 1346 C GLU A 90 -7.069 -10.803 -1.225 1.00 0.00 C ATOM 1347 O GLU A 90 -7.140 -11.720 -2.019 1.00 0.00 O ATOM 1348 CB GLU A 90 -5.703 -10.973 0.888 1.00 0.00 C ATOM 1349 CG GLU A 90 -6.303 -12.381 0.950 1.00 0.00 C ATOM 1350 CD GLU A 90 -5.982 -13.016 2.304 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -5.798 -12.275 3.256 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -5.925 -14.233 2.366 1.00 0.00 O ATOM 0 H GLU A 90 -5.674 -8.513 0.295 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.925 -10.961 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.680 -10.986 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.270 -10.297 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.382 -12.334 0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.900 -12.995 0.144 1.00 0.00 H new ATOM 1359 N PRO A 91 -8.103 -10.059 -0.892 1.00 0.00 N ATOM 1360 CA PRO A 91 -9.441 -10.281 -1.465 1.00 0.00 C ATOM 1361 C PRO A 91 -9.525 -9.667 -2.865 1.00 0.00 C ATOM 1362 O PRO A 91 -9.676 -10.362 -3.850 1.00 0.00 O ATOM 1363 CB PRO A 91 -10.376 -9.555 -0.495 1.00 0.00 C ATOM 1364 CG PRO A 91 -9.513 -8.500 0.236 1.00 0.00 C ATOM 1365 CD PRO A 91 -8.045 -8.938 0.073 1.00 0.00 C ATOM 0 HA PRO A 91 -9.691 -11.336 -1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -11.199 -9.081 -1.030 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.818 -10.254 0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.671 -7.509 -0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.784 -8.441 1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.426 -8.123 -0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.616 -9.254 1.024 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.425 -8.368 -2.961 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.496 -7.710 -4.297 1.00 0.00 C ATOM 1375 C HIS A 92 -8.195 -7.970 -5.061 1.00 0.00 C ATOM 1376 O HIS A 92 -7.457 -7.058 -5.377 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.692 -6.201 -4.118 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.527 -5.944 -2.892 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -9.964 -5.517 -1.692 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -11.876 -6.070 -2.655 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -10.971 -5.413 -0.801 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -12.142 -5.737 -1.339 1.00 0.00 N ATOM 0 H HIS A 92 -9.297 -7.735 -2.172 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.336 -8.118 -4.858 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.725 -5.707 -4.022 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.179 -5.780 -4.997 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -8.978 -5.320 -1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.612 -6.380 -3.382 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.841 -5.104 0.226 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -13.051 -5.740 -0.876 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.910 -9.209 -5.360 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.660 -9.529 -6.106 1.00 0.00 C ATOM 1392 C ARG A 93 -6.952 -9.509 -7.608 1.00 0.00 C ATOM 1393 O ARG A 93 -6.082 -9.257 -8.417 1.00 0.00 O ATOM 1394 CB ARG A 93 -6.162 -10.918 -5.698 1.00 0.00 C ATOM 1395 CG ARG A 93 -4.842 -11.219 -6.410 1.00 0.00 C ATOM 1396 CD ARG A 93 -3.682 -11.059 -5.425 1.00 0.00 C ATOM 1397 NE ARG A 93 -3.710 -12.176 -4.440 1.00 0.00 N ATOM 1398 CZ ARG A 93 -2.772 -13.085 -4.455 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -1.543 -12.749 -4.735 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -3.065 -14.328 -4.188 1.00 0.00 N ATOM 0 H ARG A 93 -8.489 -10.013 -5.120 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.894 -8.790 -5.873 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.023 -10.963 -4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.906 -11.672 -5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.856 -12.233 -6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.711 -10.544 -7.256 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.733 -11.056 -5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.759 -10.102 -4.908 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.462 -12.231 -3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.315 -11.777 -4.942 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.810 -13.459 -4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.026 -14.589 -3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.333 -15.038 -4.200 1.00 0.00 H new ATOM 1414 N GLY A 94 -8.174 -9.772 -7.984 1.00 0.00 N ATOM 1415 CA GLY A 94 -8.527 -9.765 -9.431 1.00 0.00 C ATOM 1416 C GLY A 94 -9.101 -8.397 -9.805 1.00 0.00 C ATOM 1417 O GLY A 94 -9.995 -8.291 -10.621 1.00 0.00 O ATOM 0 H GLY A 94 -8.943 -9.991 -7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.644 -9.979 -10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.255 -10.548 -9.643 1.00 0.00 H new ATOM 1421 N ALA A 95 -8.596 -7.348 -9.213 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.116 -5.989 -9.536 1.00 0.00 C ATOM 1423 C ALA A 95 -7.945 -5.021 -9.713 1.00 0.00 C ATOM 1424 O ALA A 95 -8.032 -3.856 -9.381 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.015 -5.500 -8.399 1.00 0.00 C ATOM 0 H ALA A 95 -7.847 -7.374 -8.521 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.693 -6.034 -10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.394 -4.506 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.852 -6.188 -8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.441 -5.457 -7.474 1.00 0.00 H new ATOM 1431 N GLY A 96 -6.853 -5.497 -10.240 1.00 0.00 N ATOM 1432 CA GLY A 96 -5.672 -4.611 -10.449 1.00 0.00 C ATOM 1433 C GLY A 96 -5.381 -3.820 -9.172 1.00 0.00 C ATOM 1434 O GLY A 96 -4.802 -2.752 -9.212 1.00 0.00 O ATOM 0 H GLY A 96 -6.726 -6.465 -10.537 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.802 -5.208 -10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.862 -3.926 -11.276 1.00 0.00 H new ATOM 1438 N MET A 97 -5.772 -4.332 -8.037 1.00 0.00 N ATOM 1439 CA MET A 97 -5.507 -3.603 -6.765 1.00 0.00 C ATOM 1440 C MET A 97 -4.048 -3.814 -6.354 1.00 0.00 C ATOM 1441 O MET A 97 -3.760 -4.246 -5.255 1.00 0.00 O ATOM 1442 CB MET A 97 -6.429 -4.137 -5.667 1.00 0.00 C ATOM 1443 CG MET A 97 -7.744 -3.356 -5.672 1.00 0.00 C ATOM 1444 SD MET A 97 -7.968 -2.542 -4.070 1.00 0.00 S ATOM 1445 CE MET A 97 -9.064 -1.218 -4.639 1.00 0.00 C ATOM 0 H MET A 97 -6.262 -5.221 -7.936 1.00 0.00 H new ATOM 0 HA MET A 97 -5.695 -2.539 -6.909 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.624 -5.197 -5.827 1.00 0.00 H new ATOM 0 HB3 MET A 97 -5.944 -4.045 -4.695 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.736 -2.614 -6.471 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.578 -4.029 -5.870 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.847 -1.051 -3.899 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.489 -0.302 -4.773 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.517 -1.504 -5.588 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.125 -3.515 -7.227 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.686 -3.699 -6.885 1.00 0.00 C ATOM 1457 C VAL A 98 -0.936 -2.385 -7.114 1.00 0.00 C ATOM 1458 O VAL A 98 -0.657 -2.006 -8.234 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.083 -4.792 -7.772 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.315 -5.151 -7.265 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -1.973 -6.036 -7.724 1.00 0.00 C ATOM 0 H VAL A 98 -3.305 -3.151 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.597 -3.992 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.016 -4.429 -8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.743 -5.929 -7.897 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.952 -4.267 -7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.248 -5.513 -6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.544 -6.815 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.039 -6.397 -6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.970 -5.784 -8.085 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.610 -1.684 -6.061 1.00 0.00 N ATOM 1472 CA GLY A 99 0.117 -0.397 -6.218 1.00 0.00 C ATOM 1473 C GLY A 99 1.591 -0.585 -5.854 1.00 0.00 C ATOM 1474 O GLY A 99 2.001 -1.638 -5.409 1.00 0.00 O ATOM 0 H GLY A 99 -0.817 -1.950 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.029 -0.042 -7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.330 0.364 -5.579 1.00 0.00 H new ATOM 1478 N LYS A 100 2.392 0.430 -6.040 1.00 0.00 N ATOM 1479 CA LYS A 100 3.840 0.310 -5.707 1.00 0.00 C ATOM 1480 C LYS A 100 4.394 1.679 -5.302 1.00 0.00 C ATOM 1481 O LYS A 100 4.195 2.666 -5.982 1.00 0.00 O ATOM 1482 CB LYS A 100 4.606 -0.197 -6.931 1.00 0.00 C ATOM 1483 CG LYS A 100 3.980 -1.502 -7.424 1.00 0.00 C ATOM 1484 CD LYS A 100 4.866 -2.112 -8.513 1.00 0.00 C ATOM 1485 CE LYS A 100 4.023 -2.401 -9.757 1.00 0.00 C ATOM 1486 NZ LYS A 100 3.459 -3.777 -9.666 1.00 0.00 N ATOM 0 H LYS A 100 2.105 1.337 -6.408 1.00 0.00 H new ATOM 0 HA LYS A 100 3.959 -0.391 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.582 0.551 -7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.653 -0.358 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.870 -2.201 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.981 -1.313 -7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.677 -1.428 -8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.325 -3.032 -8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.218 -1.671 -9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.635 -2.306 -10.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.886 -3.974 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.235 -4.467 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.862 -3.852 -8.818 1.00 0.00 H new ATOM 1500 N ILE A 101 5.099 1.742 -4.205 1.00 0.00 N ATOM 1501 CA ILE A 101 5.678 3.042 -3.764 1.00 0.00 C ATOM 1502 C ILE A 101 7.001 3.268 -4.510 1.00 0.00 C ATOM 1503 O ILE A 101 7.882 2.431 -4.496 1.00 0.00 O ATOM 1504 CB ILE A 101 5.902 3.000 -2.234 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.868 3.900 -1.546 1.00 0.00 C ATOM 1506 CG2 ILE A 101 7.312 3.484 -1.862 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.243 4.085 -0.071 1.00 0.00 C ATOM 0 H ILE A 101 5.299 0.949 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 101 5.002 3.866 -3.991 1.00 0.00 H new ATOM 0 HB ILE A 101 5.792 1.968 -1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.826 4.868 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.875 3.457 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.437 3.442 -0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.054 2.843 -2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.446 4.510 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.506 4.725 0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.263 3.114 0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.227 4.548 -0.001 1.00 0.00 H new ATOM 1519 N THR A 102 7.147 4.391 -5.156 1.00 0.00 N ATOM 1520 CA THR A 102 8.411 4.667 -5.895 1.00 0.00 C ATOM 1521 C THR A 102 9.256 5.665 -5.103 1.00 0.00 C ATOM 1522 O THR A 102 8.998 6.852 -5.108 1.00 0.00 O ATOM 1523 CB THR A 102 8.080 5.257 -7.268 1.00 0.00 C ATOM 1524 OG1 THR A 102 6.967 4.569 -7.820 1.00 0.00 O ATOM 1525 CG2 THR A 102 9.286 5.109 -8.195 1.00 0.00 C ATOM 0 H THR A 102 6.446 5.130 -5.204 1.00 0.00 H new ATOM 0 HA THR A 102 8.968 3.739 -6.022 1.00 0.00 H new ATOM 0 HB THR A 102 7.838 6.314 -7.161 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.147 4.856 -7.366 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.048 5.530 -9.172 1.00 0.00 H new ATOM 0 HG22 THR A 102 10.139 5.638 -7.770 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.533 4.053 -8.305 1.00 0.00 H new ATOM 1533 N VAL A 103 10.266 5.196 -4.423 1.00 0.00 N ATOM 1534 CA VAL A 103 11.123 6.123 -3.633 1.00 0.00 C ATOM 1535 C VAL A 103 12.398 6.433 -4.419 1.00 0.00 C ATOM 1536 O VAL A 103 13.377 5.718 -4.342 1.00 0.00 O ATOM 1537 CB VAL A 103 11.487 5.468 -2.300 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.888 6.549 -1.296 1.00 0.00 C ATOM 1539 CG2 VAL A 103 10.278 4.696 -1.764 1.00 0.00 C ATOM 0 H VAL A 103 10.534 4.213 -4.381 1.00 0.00 H new ATOM 0 HA VAL A 103 10.581 7.050 -3.444 1.00 0.00 H new ATOM 0 HB VAL A 103 12.320 4.781 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 103 12.148 6.084 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.748 7.099 -1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 103 11.054 7.236 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.537 4.229 -0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.444 5.383 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.991 3.926 -2.480 1.00 0.00 H new ATOM 1549 N ALA A 104 12.394 7.495 -5.177 1.00 0.00 N ATOM 1550 CA ALA A 104 13.606 7.850 -5.968 1.00 0.00 C ATOM 1551 C ALA A 104 14.848 7.737 -5.081 1.00 0.00 C ATOM 1552 O ALA A 104 14.759 7.731 -3.870 1.00 0.00 O ATOM 1553 CB ALA A 104 13.478 9.285 -6.484 1.00 0.00 C ATOM 0 H ALA A 104 11.604 8.132 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 104 13.699 7.167 -6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.365 9.544 -7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.595 9.366 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.383 9.968 -5.640 1.00 0.00 H new