USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 14 SER OG : rot -44:sc= 0.783 USER MOD Set 1.2: A 113 ASN :FLIP amide:sc= 0.551 F(o=0.37,f=1.3) USER MOD Single : A 1 ALA N :NH3+ 130:sc= 0.0603 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 51:sc= 1.28 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.0289 USER MOD Single : A 10 SER OG : rot -150:sc= -0.256 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 99:sc= 1.18 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0834 K(o=-0.083,f=-0.89) USER MOD Single : A 30 THR OG1 : rot -150:sc= -0.764 USER MOD Single : A 32 TYR OH : rot 180:sc= 0.0729 USER MOD Single : A 36 GLN : amide:sc= -2.18! C(o=-2.2!,f=-6.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.08 K(o=-1.1,f=-6.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.075 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.0207 X(o=0.021,f=-0.0065) USER MOD Single : A 62 SER OG : rot 41:sc= 0.0165 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00241 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -63:sc= 1.27 USER MOD Single : A 81 THR OG1 : rot 97:sc= 1.29 USER MOD Single : A 85 THR OG1 : rot -48:sc= 1.26 USER MOD Single : A 89 THR OG1 : rot 67:sc= 0.847 USER MOD Single : A 90 THR OG1 : rot -43:sc= 0.659 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 98 SER OG : rot 180:sc= -0.165 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0772 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.989 5.367 16.275 1.00 0.00 N ATOM 2 CA ALA A 1 -16.522 4.194 15.547 1.00 0.00 C ATOM 3 C ALA A 1 -15.388 3.246 15.174 1.00 0.00 C ATOM 4 O ALA A 1 -14.242 3.670 15.017 1.00 0.00 O ATOM 5 CB ALA A 1 -17.277 4.637 14.303 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.357 6.239 15.845 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.284 5.321 17.271 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.950 5.366 16.221 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.217 3.666 16.200 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.662 3.762 13.780 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.107 5.282 14.592 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.603 5.186 13.645 1.00 0.00 H new ATOM 11 N ALA A 2 -15.702 1.964 15.053 1.00 0.00 N ATOM 12 CA ALA A 2 -14.703 0.966 14.706 1.00 0.00 C ATOM 13 C ALA A 2 -14.953 0.402 13.311 1.00 0.00 C ATOM 14 O ALA A 2 -15.978 -0.241 13.070 1.00 0.00 O ATOM 15 CB ALA A 2 -14.691 -0.155 15.735 1.00 0.00 C ATOM 0 H ALA A 2 -16.642 1.591 15.190 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.727 1.452 14.706 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.938 -0.893 15.460 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.456 0.255 16.717 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.671 -0.631 15.766 1.00 0.00 H new ATOM 21 N PRO A 3 -14.025 0.649 12.375 1.00 0.00 N ATOM 22 CA PRO A 3 -14.137 0.164 10.996 1.00 0.00 C ATOM 23 C PRO A 3 -13.739 -1.308 10.864 1.00 0.00 C ATOM 24 O PRO A 3 -13.442 -1.976 11.858 1.00 0.00 O ATOM 25 CB PRO A 3 -13.148 1.056 10.240 1.00 0.00 C ATOM 26 CG PRO A 3 -12.096 1.375 11.246 1.00 0.00 C ATOM 27 CD PRO A 3 -12.789 1.427 12.585 1.00 0.00 C ATOM 0 HA PRO A 3 -15.159 0.214 10.621 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.729 0.541 9.376 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.631 1.960 9.869 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.313 0.617 11.243 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.618 2.328 11.019 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.172 0.992 13.371 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.008 2.453 12.882 1.00 0.00 H new ATOM 35 N THR A 4 -13.730 -1.808 9.637 1.00 0.00 N ATOM 36 CA THR A 4 -13.367 -3.192 9.374 1.00 0.00 C ATOM 37 C THR A 4 -12.263 -3.267 8.317 1.00 0.00 C ATOM 38 O THR A 4 -12.522 -3.137 7.119 1.00 0.00 O ATOM 39 CB THR A 4 -14.584 -4.005 8.894 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.782 -3.513 9.516 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.409 -5.483 9.217 1.00 0.00 C ATOM 0 H THR A 4 -13.972 -1.272 8.804 1.00 0.00 H new ATOM 0 HA THR A 4 -13.005 -3.618 10.309 1.00 0.00 H new ATOM 0 HB THR A 4 -14.664 -3.892 7.813 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.551 -4.035 9.204 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.281 -6.037 8.869 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.516 -5.861 8.719 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.305 -5.610 10.295 1.00 0.00 H new ATOM 49 N ALA A 5 -11.032 -3.465 8.764 1.00 0.00 N ATOM 50 CA ALA A 5 -9.898 -3.546 7.854 1.00 0.00 C ATOM 51 C ALA A 5 -9.676 -4.980 7.388 1.00 0.00 C ATOM 52 O ALA A 5 -8.713 -5.633 7.789 1.00 0.00 O ATOM 53 CB ALA A 5 -8.644 -3.000 8.520 1.00 0.00 C ATOM 0 H ALA A 5 -10.792 -3.572 9.750 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.119 -2.937 6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.805 -3.067 7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.803 -1.958 8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.424 -3.583 9.414 1.00 0.00 H new ATOM 59 N THR A 6 -10.577 -5.470 6.550 1.00 0.00 N ATOM 60 CA THR A 6 -10.477 -6.827 6.030 1.00 0.00 C ATOM 61 C THR A 6 -9.461 -6.904 4.890 1.00 0.00 C ATOM 62 O THR A 6 -9.814 -6.788 3.719 1.00 0.00 O ATOM 63 CB THR A 6 -11.848 -7.330 5.539 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.607 -6.232 5.013 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.624 -7.978 6.670 1.00 0.00 C ATOM 0 H THR A 6 -11.387 -4.948 6.215 1.00 0.00 H new ATOM 0 HA THR A 6 -10.138 -7.466 6.845 1.00 0.00 H new ATOM 0 HB THR A 6 -11.680 -8.073 4.759 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.065 -5.744 4.358 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.588 -8.325 6.298 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.060 -8.825 7.060 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.783 -7.250 7.466 1.00 0.00 H new ATOM 73 N VAL A 7 -8.195 -7.082 5.236 1.00 0.00 N ATOM 74 CA VAL A 7 -7.140 -7.164 4.234 1.00 0.00 C ATOM 75 C VAL A 7 -6.585 -8.579 4.133 1.00 0.00 C ATOM 76 O VAL A 7 -6.553 -9.319 5.118 1.00 0.00 O ATOM 77 CB VAL A 7 -5.984 -6.184 4.536 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.462 -4.745 4.446 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.376 -6.457 5.902 1.00 0.00 C ATOM 0 H VAL A 7 -7.873 -7.172 6.199 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.593 -6.886 3.282 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.210 -6.340 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.632 -4.072 4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.837 -4.548 3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.260 -4.581 5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.565 -5.752 6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.140 -6.341 6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.986 -7.474 5.930 1.00 0.00 H new ATOM 89 N THR A 8 -6.167 -8.957 2.935 1.00 0.00 N ATOM 90 CA THR A 8 -5.600 -10.272 2.698 1.00 0.00 C ATOM 91 C THR A 8 -4.085 -10.156 2.536 1.00 0.00 C ATOM 92 O THR A 8 -3.598 -9.687 1.505 1.00 0.00 O ATOM 93 CB THR A 8 -6.211 -10.921 1.438 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.644 -10.807 1.469 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.823 -12.388 1.338 1.00 0.00 C ATOM 0 H THR A 8 -6.211 -8.364 2.106 1.00 0.00 H new ATOM 0 HA THR A 8 -5.831 -10.905 3.554 1.00 0.00 H new ATOM 0 HB THR A 8 -5.821 -10.396 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.031 -11.354 0.754 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.266 -12.821 0.442 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.738 -12.474 1.284 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.186 -12.921 2.217 1.00 0.00 H new ATOM 103 N PRO A 9 -3.319 -10.563 3.563 1.00 0.00 N ATOM 104 CA PRO A 9 -1.857 -10.487 3.546 1.00 0.00 C ATOM 105 C PRO A 9 -1.206 -11.518 2.625 1.00 0.00 C ATOM 106 O PRO A 9 -1.884 -12.267 1.914 1.00 0.00 O ATOM 107 CB PRO A 9 -1.454 -10.766 5.000 1.00 0.00 C ATOM 108 CG PRO A 9 -2.724 -10.749 5.787 1.00 0.00 C ATOM 109 CD PRO A 9 -3.810 -11.126 4.825 1.00 0.00 C ATOM 0 HA PRO A 9 -1.527 -9.520 3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.953 -11.730 5.088 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.758 -10.010 5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.677 -11.452 6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.906 -9.763 6.214 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.942 -12.206 4.764 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.773 -10.703 5.112 1.00 0.00 H new ATOM 117 N SER A 10 0.116 -11.538 2.642 1.00 0.00 N ATOM 118 CA SER A 10 0.884 -12.463 1.827 1.00 0.00 C ATOM 119 C SER A 10 2.084 -12.981 2.618 1.00 0.00 C ATOM 120 O SER A 10 3.192 -12.453 2.518 1.00 0.00 O ATOM 121 CB SER A 10 1.340 -11.781 0.532 1.00 0.00 C ATOM 122 OG SER A 10 0.236 -11.223 -0.164 1.00 0.00 O ATOM 0 H SER A 10 0.684 -10.917 3.218 1.00 0.00 H new ATOM 0 HA SER A 10 0.252 -13.310 1.560 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.062 -10.998 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.848 -12.505 -0.105 1.00 0.00 H new ATOM 0 HG SER A 10 0.419 -11.229 -1.127 1.00 0.00 H new ATOM 128 N SER A 11 1.847 -14.006 3.415 1.00 0.00 N ATOM 129 CA SER A 11 2.886 -14.596 4.240 1.00 0.00 C ATOM 130 C SER A 11 3.222 -16.005 3.753 1.00 0.00 C ATOM 131 O SER A 11 2.432 -16.934 3.916 1.00 0.00 O ATOM 132 CB SER A 11 2.429 -14.633 5.700 1.00 0.00 C ATOM 133 OG SER A 11 1.864 -13.387 6.087 1.00 0.00 O ATOM 0 H SER A 11 0.934 -14.452 3.509 1.00 0.00 H new ATOM 0 HA SER A 11 3.785 -13.985 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.695 -15.427 5.835 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.276 -14.869 6.344 1.00 0.00 H new ATOM 0 HG SER A 11 1.577 -13.434 7.023 1.00 0.00 H new ATOM 139 N GLY A 12 4.386 -16.152 3.135 1.00 0.00 N ATOM 140 CA GLY A 12 4.799 -17.451 2.639 1.00 0.00 C ATOM 141 C GLY A 12 4.600 -17.584 1.143 1.00 0.00 C ATOM 142 O GLY A 12 4.837 -18.642 0.564 1.00 0.00 O ATOM 0 H GLY A 12 5.051 -15.397 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.850 -17.612 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.232 -18.230 3.150 1.00 0.00 H new ATOM 146 N LEU A 13 4.169 -16.504 0.513 1.00 0.00 N ATOM 147 CA LEU A 13 3.937 -16.498 -0.924 1.00 0.00 C ATOM 148 C LEU A 13 5.174 -15.974 -1.645 1.00 0.00 C ATOM 149 O LEU A 13 6.161 -15.615 -1.005 1.00 0.00 O ATOM 150 CB LEU A 13 2.704 -15.651 -1.252 1.00 0.00 C ATOM 151 CG LEU A 13 1.384 -16.219 -0.715 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.286 -15.168 -0.743 1.00 0.00 C ATOM 153 CD2 LEU A 13 0.966 -17.441 -1.521 1.00 0.00 C ATOM 0 H LEU A 13 3.972 -15.616 0.975 1.00 0.00 H new ATOM 0 HA LEU A 13 3.748 -17.516 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.847 -14.650 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.627 -15.547 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 13 1.541 -16.518 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.639 -15.597 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.578 -14.320 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.130 -14.832 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.028 -17.833 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.833 -17.160 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.738 -18.207 -1.447 1.00 0.00 H new ATOM 165 N SER A 14 5.137 -15.960 -2.967 1.00 0.00 N ATOM 166 CA SER A 14 6.265 -15.484 -3.753 1.00 0.00 C ATOM 167 C SER A 14 5.962 -14.106 -4.341 1.00 0.00 C ATOM 168 O SER A 14 4.915 -13.524 -4.058 1.00 0.00 O ATOM 169 CB SER A 14 6.571 -16.486 -4.869 1.00 0.00 C ATOM 170 OG SER A 14 6.331 -17.819 -4.440 1.00 0.00 O ATOM 0 H SER A 14 4.338 -16.273 -3.519 1.00 0.00 H new ATOM 0 HA SER A 14 7.138 -15.393 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.954 -16.264 -5.740 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.611 -16.382 -5.180 1.00 0.00 H new ATOM 0 HG SER A 14 6.699 -17.944 -3.540 1.00 0.00 H new ATOM 176 N ASP A 15 6.874 -13.581 -5.149 1.00 0.00 N ATOM 177 CA ASP A 15 6.669 -12.277 -5.767 1.00 0.00 C ATOM 178 C ASP A 15 5.636 -12.393 -6.878 1.00 0.00 C ATOM 179 O ASP A 15 5.406 -13.482 -7.412 1.00 0.00 O ATOM 180 CB ASP A 15 7.986 -11.704 -6.309 1.00 0.00 C ATOM 181 CG ASP A 15 8.506 -12.441 -7.531 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.155 -13.496 -7.363 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.281 -11.963 -8.661 1.00 0.00 O ATOM 0 H ASP A 15 7.756 -14.033 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 15 6.301 -11.588 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.840 -10.654 -6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.740 -11.741 -5.523 1.00 0.00 H new ATOM 188 N GLY A 16 4.997 -11.282 -7.205 1.00 0.00 N ATOM 189 CA GLY A 16 3.983 -11.288 -8.240 1.00 0.00 C ATOM 190 C GLY A 16 2.617 -11.634 -7.684 1.00 0.00 C ATOM 191 O GLY A 16 1.627 -11.663 -8.414 1.00 0.00 O ATOM 0 H GLY A 16 5.162 -10.373 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.944 -10.309 -8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.255 -12.008 -9.012 1.00 0.00 H new ATOM 195 N THR A 17 2.575 -11.893 -6.387 1.00 0.00 N ATOM 196 CA THR A 17 1.341 -12.240 -5.704 1.00 0.00 C ATOM 197 C THR A 17 0.408 -11.036 -5.613 1.00 0.00 C ATOM 198 O THR A 17 0.855 -9.892 -5.479 1.00 0.00 O ATOM 199 CB THR A 17 1.648 -12.797 -4.299 1.00 0.00 C ATOM 200 OG1 THR A 17 2.374 -14.026 -4.430 1.00 0.00 O ATOM 201 CG2 THR A 17 0.382 -13.042 -3.490 1.00 0.00 C ATOM 0 H THR A 17 3.394 -11.868 -5.780 1.00 0.00 H new ATOM 0 HA THR A 17 0.835 -13.012 -6.283 1.00 0.00 H new ATOM 0 HB THR A 17 2.241 -12.054 -3.766 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.332 -13.855 -4.311 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.648 -13.434 -2.508 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.161 -12.104 -3.372 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.248 -13.763 -4.010 1.00 0.00 H new ATOM 209 N VAL A 18 -0.885 -11.300 -5.711 1.00 0.00 N ATOM 210 CA VAL A 18 -1.885 -10.256 -5.653 1.00 0.00 C ATOM 211 C VAL A 18 -2.397 -10.060 -4.229 1.00 0.00 C ATOM 212 O VAL A 18 -2.999 -10.959 -3.639 1.00 0.00 O ATOM 213 CB VAL A 18 -3.072 -10.576 -6.583 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.079 -9.439 -6.575 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.583 -10.860 -7.998 1.00 0.00 C ATOM 0 H VAL A 18 -1.265 -12.239 -5.832 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.408 -9.334 -5.987 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.570 -11.471 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.909 -9.684 -7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.454 -9.292 -5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.597 -8.524 -6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.435 -11.084 -8.639 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.058 -9.986 -8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.905 -11.714 -7.984 1.00 0.00 H new ATOM 225 N VAL A 19 -2.146 -8.885 -3.680 1.00 0.00 N ATOM 226 CA VAL A 19 -2.593 -8.554 -2.339 1.00 0.00 C ATOM 227 C VAL A 19 -3.981 -7.928 -2.405 1.00 0.00 C ATOM 228 O VAL A 19 -4.184 -6.923 -3.089 1.00 0.00 O ATOM 229 CB VAL A 19 -1.623 -7.575 -1.647 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.062 -7.298 -0.219 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.200 -8.112 -1.674 1.00 0.00 C ATOM 0 H VAL A 19 -1.631 -8.139 -4.147 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.622 -9.474 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.643 -6.635 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.363 -6.605 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.060 -6.859 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.079 -8.231 0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.465 -7.404 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.162 -9.069 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.118 -8.248 -2.708 1.00 0.00 H new ATOM 241 N LYS A 20 -4.932 -8.529 -1.715 1.00 0.00 N ATOM 242 CA LYS A 20 -6.297 -8.020 -1.709 1.00 0.00 C ATOM 243 C LYS A 20 -6.527 -7.107 -0.512 1.00 0.00 C ATOM 244 O LYS A 20 -6.266 -7.484 0.632 1.00 0.00 O ATOM 245 CB LYS A 20 -7.301 -9.175 -1.700 1.00 0.00 C ATOM 246 CG LYS A 20 -8.743 -8.725 -1.885 1.00 0.00 C ATOM 247 CD LYS A 20 -9.719 -9.843 -1.563 1.00 0.00 C ATOM 248 CE LYS A 20 -9.798 -10.868 -2.683 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.699 -11.998 -2.334 1.00 0.00 N ATOM 0 H LYS A 20 -4.789 -9.368 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.447 -7.438 -2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.043 -9.877 -2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.215 -9.714 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.944 -7.868 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.893 -8.394 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.414 -10.337 -0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.709 -9.421 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.155 -10.386 -3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.800 -11.251 -2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.727 -12.676 -3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.344 -12.474 -1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.657 -11.635 -2.155 1.00 0.00 H new ATOM 263 N VAL A 21 -7.011 -5.905 -0.780 1.00 0.00 N ATOM 264 CA VAL A 21 -7.271 -4.933 0.269 1.00 0.00 C ATOM 265 C VAL A 21 -8.729 -4.499 0.238 1.00 0.00 C ATOM 266 O VAL A 21 -9.189 -3.932 -0.748 1.00 0.00 O ATOM 267 CB VAL A 21 -6.364 -3.690 0.119 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.723 -2.624 1.146 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.897 -4.085 0.238 1.00 0.00 C ATOM 0 H VAL A 21 -7.233 -5.578 -1.720 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.052 -5.411 1.224 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.528 -3.266 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.070 -1.761 1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.760 -2.318 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.597 -3.029 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.272 -3.199 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.720 -4.537 1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.649 -4.802 -0.545 1.00 0.00 H new ATOM 279 N ALA A 22 -9.457 -4.781 1.307 1.00 0.00 N ATOM 280 CA ALA A 22 -10.858 -4.406 1.386 1.00 0.00 C ATOM 281 C ALA A 22 -11.146 -3.688 2.697 1.00 0.00 C ATOM 282 O ALA A 22 -11.226 -4.311 3.754 1.00 0.00 O ATOM 283 CB ALA A 22 -11.751 -5.630 1.235 1.00 0.00 C ATOM 0 H ALA A 22 -9.101 -5.267 2.130 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.077 -3.722 0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.796 -5.328 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.566 -6.099 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.531 -6.341 2.031 1.00 0.00 H new ATOM 289 N GLY A 23 -11.290 -2.377 2.628 1.00 0.00 N ATOM 290 CA GLY A 23 -11.566 -1.606 3.821 1.00 0.00 C ATOM 291 C GLY A 23 -13.027 -1.228 3.937 1.00 0.00 C ATOM 292 O GLY A 23 -13.597 -0.660 3.006 1.00 0.00 O ATOM 0 H GLY A 23 -11.221 -1.832 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.271 -2.181 4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.959 -0.701 3.814 1.00 0.00 H new ATOM 296 N ALA A 24 -13.635 -1.553 5.065 1.00 0.00 N ATOM 297 CA ALA A 24 -15.033 -1.234 5.303 1.00 0.00 C ATOM 298 C ALA A 24 -15.146 -0.230 6.441 1.00 0.00 C ATOM 299 O ALA A 24 -14.347 -0.257 7.380 1.00 0.00 O ATOM 300 CB ALA A 24 -15.824 -2.494 5.617 1.00 0.00 C ATOM 0 H ALA A 24 -13.179 -2.041 5.836 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.453 -0.790 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.868 -2.234 5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.758 -3.184 4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.414 -2.968 6.509 1.00 0.00 H new ATOM 306 N GLY A 25 -16.131 0.650 6.355 1.00 0.00 N ATOM 307 CA GLY A 25 -16.311 1.658 7.377 1.00 0.00 C ATOM 308 C GLY A 25 -15.470 2.882 7.090 1.00 0.00 C ATOM 309 O GLY A 25 -15.233 3.710 7.969 1.00 0.00 O ATOM 0 H GLY A 25 -16.810 0.684 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.362 1.940 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.040 1.247 8.349 1.00 0.00 H new ATOM 313 N LEU A 26 -15.026 2.987 5.845 1.00 0.00 N ATOM 314 CA LEU A 26 -14.200 4.102 5.410 1.00 0.00 C ATOM 315 C LEU A 26 -15.065 5.298 5.034 1.00 0.00 C ATOM 316 O LEU A 26 -16.296 5.222 5.074 1.00 0.00 O ATOM 317 CB LEU A 26 -13.338 3.684 4.212 1.00 0.00 C ATOM 318 CG LEU A 26 -12.345 2.555 4.484 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.598 2.202 3.211 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.371 2.947 5.588 1.00 0.00 C ATOM 0 H LEU A 26 -15.227 2.306 5.113 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.550 4.390 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.998 3.378 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.785 4.556 3.862 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.898 1.678 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.893 1.396 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.308 1.879 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.056 3.077 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.673 2.129 5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.818 3.836 5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.924 3.157 6.504 1.00 0.00 H new ATOM 332 N GLN A 27 -14.423 6.399 4.675 1.00 0.00 N ATOM 333 CA GLN A 27 -15.141 7.606 4.294 1.00 0.00 C ATOM 334 C GLN A 27 -15.618 7.501 2.848 1.00 0.00 C ATOM 335 O GLN A 27 -14.811 7.506 1.917 1.00 0.00 O ATOM 336 CB GLN A 27 -14.245 8.836 4.474 1.00 0.00 C ATOM 337 CG GLN A 27 -15.021 10.136 4.630 1.00 0.00 C ATOM 338 CD GLN A 27 -15.752 10.234 5.956 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.316 9.684 6.968 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.870 10.936 5.957 1.00 0.00 N ATOM 0 H GLN A 27 -13.407 6.482 4.639 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.012 7.715 4.940 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.615 8.691 5.351 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.580 8.920 3.614 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.333 10.977 4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.742 10.223 3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.197 11.376 5.097 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.407 11.038 6.818 1.00 0.00 H new ATOM 349 N ALA A 28 -16.928 7.385 2.669 1.00 0.00 N ATOM 350 CA ALA A 28 -17.520 7.272 1.341 1.00 0.00 C ATOM 351 C ALA A 28 -17.195 8.500 0.499 1.00 0.00 C ATOM 352 O ALA A 28 -17.541 9.625 0.864 1.00 0.00 O ATOM 353 CB ALA A 28 -19.028 7.076 1.450 1.00 0.00 C ATOM 0 H ALA A 28 -17.605 7.367 3.432 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.093 6.401 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.457 6.993 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.237 6.165 2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.470 7.929 1.965 1.00 0.00 H new ATOM 359 N GLY A 29 -16.525 8.276 -0.622 1.00 0.00 N ATOM 360 CA GLY A 29 -16.149 9.367 -1.497 1.00 0.00 C ATOM 361 C GLY A 29 -14.676 9.707 -1.381 1.00 0.00 C ATOM 362 O GLY A 29 -14.172 10.575 -2.093 1.00 0.00 O ATOM 0 H GLY A 29 -16.234 7.352 -0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.379 9.100 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.744 10.247 -1.255 1.00 0.00 H new ATOM 366 N THR A 30 -13.985 9.025 -0.479 1.00 0.00 N ATOM 367 CA THR A 30 -12.566 9.258 -0.269 1.00 0.00 C ATOM 368 C THR A 30 -11.720 8.206 -0.983 1.00 0.00 C ATOM 369 O THR A 30 -11.995 7.007 -0.896 1.00 0.00 O ATOM 370 CB THR A 30 -12.234 9.256 1.235 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.000 10.275 1.889 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.748 9.493 1.483 1.00 0.00 C ATOM 0 H THR A 30 -14.387 8.304 0.120 1.00 0.00 H new ATOM 0 HA THR A 30 -12.328 10.236 -0.688 1.00 0.00 H new ATOM 0 HB THR A 30 -12.487 8.276 1.639 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.504 10.610 2.665 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.552 9.485 2.555 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.169 8.705 1.002 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.460 10.459 1.069 1.00 0.00 H new ATOM 380 N ALA A 31 -10.704 8.668 -1.699 1.00 0.00 N ATOM 381 CA ALA A 31 -9.807 7.784 -2.422 1.00 0.00 C ATOM 382 C ALA A 31 -8.589 7.455 -1.572 1.00 0.00 C ATOM 383 O ALA A 31 -7.902 8.351 -1.077 1.00 0.00 O ATOM 384 CB ALA A 31 -9.385 8.408 -3.745 1.00 0.00 C ATOM 0 H ALA A 31 -10.481 9.659 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.338 6.857 -2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.713 7.729 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.267 8.592 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.872 9.351 -3.555 1.00 0.00 H new ATOM 390 N TYR A 32 -8.335 6.174 -1.395 1.00 0.00 N ATOM 391 CA TYR A 32 -7.208 5.721 -0.598 1.00 0.00 C ATOM 392 C TYR A 32 -6.091 5.203 -1.492 1.00 0.00 C ATOM 393 O TYR A 32 -6.313 4.336 -2.340 1.00 0.00 O ATOM 394 CB TYR A 32 -7.651 4.623 0.379 1.00 0.00 C ATOM 395 CG TYR A 32 -8.589 5.108 1.470 1.00 0.00 C ATOM 396 CD1 TYR A 32 -9.932 5.355 1.202 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.132 5.316 2.767 1.00 0.00 C ATOM 398 CE1 TYR A 32 -10.790 5.797 2.191 1.00 0.00 C ATOM 399 CE2 TYR A 32 -8.986 5.759 3.761 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.313 5.999 3.469 1.00 0.00 C ATOM 401 OH TYR A 32 -11.158 6.452 4.459 1.00 0.00 O ATOM 0 H TYR A 32 -8.897 5.422 -1.795 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.831 6.570 -0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.143 3.829 -0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.767 4.185 0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.311 5.198 0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.095 5.129 3.002 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.829 5.983 1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.615 5.917 4.763 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.661 6.539 5.299 1.00 0.00 H new ATOM 411 N ASP A 33 -4.899 5.750 -1.314 1.00 0.00 N ATOM 412 CA ASP A 33 -3.746 5.331 -2.092 1.00 0.00 C ATOM 413 C ASP A 33 -3.185 4.044 -1.506 1.00 0.00 C ATOM 414 O ASP A 33 -2.658 4.033 -0.392 1.00 0.00 O ATOM 415 CB ASP A 33 -2.668 6.424 -2.100 1.00 0.00 C ATOM 416 CG ASP A 33 -3.045 7.630 -2.948 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.889 8.438 -2.508 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.480 7.793 -4.051 1.00 0.00 O ATOM 0 H ASP A 33 -4.705 6.487 -0.636 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.058 5.157 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.483 6.751 -1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.735 6.002 -2.474 1.00 0.00 H new ATOM 423 N VAL A 34 -3.326 2.950 -2.239 1.00 0.00 N ATOM 424 CA VAL A 34 -2.843 1.662 -1.770 1.00 0.00 C ATOM 425 C VAL A 34 -1.775 1.101 -2.703 1.00 0.00 C ATOM 426 O VAL A 34 -1.987 0.994 -3.916 1.00 0.00 O ATOM 427 CB VAL A 34 -3.990 0.636 -1.653 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.554 -0.564 -0.828 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.236 1.270 -1.052 1.00 0.00 C ATOM 0 H VAL A 34 -3.769 2.929 -3.157 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.412 1.830 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.236 0.295 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.377 -1.275 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.700 -1.043 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.272 -0.235 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.027 0.523 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.007 1.650 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.568 2.092 -1.686 1.00 0.00 H new ATOM 439 N GLY A 35 -0.625 0.762 -2.138 1.00 0.00 N ATOM 440 CA GLY A 35 0.449 0.200 -2.925 1.00 0.00 C ATOM 441 C GLY A 35 1.384 -0.635 -2.077 1.00 0.00 C ATOM 442 O GLY A 35 1.244 -0.677 -0.856 1.00 0.00 O ATOM 0 H GLY A 35 -0.418 0.867 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.033 -0.416 -3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.010 1.004 -3.402 1.00 0.00 H new ATOM 446 N GLN A 36 2.321 -1.317 -2.716 1.00 0.00 N ATOM 447 CA GLN A 36 3.286 -2.132 -1.992 1.00 0.00 C ATOM 448 C GLN A 36 4.480 -1.271 -1.605 1.00 0.00 C ATOM 449 O GLN A 36 5.096 -0.627 -2.452 1.00 0.00 O ATOM 450 CB GLN A 36 3.727 -3.329 -2.836 1.00 0.00 C ATOM 451 CG GLN A 36 4.150 -2.957 -4.250 1.00 0.00 C ATOM 452 CD GLN A 36 5.378 -3.707 -4.725 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.537 -3.960 -5.915 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.258 -4.066 -3.803 1.00 0.00 N ATOM 0 H GLN A 36 2.435 -1.323 -3.730 1.00 0.00 H new ATOM 0 HA GLN A 36 2.819 -2.522 -1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.558 -3.828 -2.337 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.909 -4.047 -2.888 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.324 -3.156 -4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.348 -1.886 -4.293 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.092 -3.838 -2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.102 -4.571 -4.073 1.00 0.00 H new ATOM 463 N CYS A 37 4.797 -1.248 -0.325 1.00 0.00 N ATOM 464 CA CYS A 37 5.889 -0.428 0.163 1.00 0.00 C ATOM 465 C CYS A 37 6.833 -1.220 1.057 1.00 0.00 C ATOM 466 O CYS A 37 6.607 -2.397 1.334 1.00 0.00 O ATOM 467 CB CYS A 37 5.333 0.769 0.935 1.00 0.00 C ATOM 468 SG CYS A 37 3.567 1.090 0.637 1.00 0.00 S ATOM 0 H CYS A 37 4.315 -1.787 0.395 1.00 0.00 H new ATOM 0 HA CYS A 37 6.457 -0.082 -0.701 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.486 0.603 2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.903 1.658 0.666 1.00 0.00 H new ATOM 473 N ALA A 38 7.898 -0.556 1.485 1.00 0.00 N ATOM 474 CA ALA A 38 8.893 -1.144 2.363 1.00 0.00 C ATOM 475 C ALA A 38 9.752 -0.035 2.957 1.00 0.00 C ATOM 476 O ALA A 38 9.537 1.144 2.655 1.00 0.00 O ATOM 477 CB ALA A 38 9.748 -2.150 1.606 1.00 0.00 C ATOM 0 H ALA A 38 8.095 0.412 1.230 1.00 0.00 H new ATOM 0 HA ALA A 38 8.394 -1.679 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.488 -2.580 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.113 -2.943 1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.256 -1.649 0.782 1.00 0.00 H new ATOM 483 N TRP A 39 10.714 -0.397 3.795 1.00 0.00 N ATOM 484 CA TRP A 39 11.584 0.589 4.420 1.00 0.00 C ATOM 485 C TRP A 39 12.660 1.048 3.444 1.00 0.00 C ATOM 486 O TRP A 39 13.562 0.286 3.094 1.00 0.00 O ATOM 487 CB TRP A 39 12.228 0.011 5.681 1.00 0.00 C ATOM 488 CG TRP A 39 11.238 -0.307 6.759 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.724 -1.533 7.065 1.00 0.00 C ATOM 490 CD2 TRP A 39 10.637 0.618 7.672 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.850 -1.429 8.118 1.00 0.00 N ATOM 492 CE2 TRP A 39 9.776 -0.118 8.505 1.00 0.00 C ATOM 493 CE3 TRP A 39 10.748 1.998 7.866 1.00 0.00 C ATOM 494 CZ2 TRP A 39 9.028 0.479 9.517 1.00 0.00 C ATOM 495 CZ3 TRP A 39 10.003 2.589 8.867 1.00 0.00 C ATOM 496 CH2 TRP A 39 9.155 1.831 9.682 1.00 0.00 C ATOM 0 H TRP A 39 10.911 -1.363 4.057 1.00 0.00 H new ATOM 0 HA TRP A 39 10.978 1.451 4.700 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.773 -0.896 5.419 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.958 0.722 6.066 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.969 -2.452 6.553 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.339 -2.203 8.543 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.404 2.590 7.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.373 -0.103 10.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 10.076 3.655 9.024 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.588 2.324 10.458 1.00 0.00 H new ATOM 507 N VAL A 40 12.559 2.295 3.006 1.00 0.00 N ATOM 508 CA VAL A 40 13.522 2.848 2.068 1.00 0.00 C ATOM 509 C VAL A 40 14.576 3.671 2.810 1.00 0.00 C ATOM 510 O VAL A 40 15.695 3.849 2.331 1.00 0.00 O ATOM 511 CB VAL A 40 12.824 3.708 0.985 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.170 4.940 1.592 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.798 4.098 -0.120 1.00 0.00 C ATOM 0 H VAL A 40 11.821 2.941 3.285 1.00 0.00 H new ATOM 0 HA VAL A 40 14.016 2.017 1.565 1.00 0.00 H new ATOM 0 HB VAL A 40 12.037 3.099 0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.689 5.522 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.423 4.632 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.928 5.550 2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.280 4.701 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.619 4.674 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.193 3.198 -0.592 1.00 0.00 H new ATOM 523 N ASP A 41 14.219 4.148 3.996 1.00 0.00 N ATOM 524 CA ASP A 41 15.131 4.947 4.808 1.00 0.00 C ATOM 525 C ASP A 41 14.736 4.833 6.275 1.00 0.00 C ATOM 526 O ASP A 41 13.739 4.186 6.602 1.00 0.00 O ATOM 527 CB ASP A 41 15.094 6.415 4.367 1.00 0.00 C ATOM 528 CG ASP A 41 16.425 7.129 4.536 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.970 7.131 5.660 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.923 7.714 3.548 1.00 0.00 O ATOM 0 H ASP A 41 13.303 3.996 4.418 1.00 0.00 H new ATOM 0 HA ASP A 41 16.146 4.573 4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.794 6.465 3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.332 6.941 4.943 1.00 0.00 H new ATOM 535 N THR A 42 15.501 5.471 7.146 1.00 0.00 N ATOM 536 CA THR A 42 15.235 5.438 8.574 1.00 0.00 C ATOM 537 C THR A 42 13.914 6.131 8.898 1.00 0.00 C ATOM 538 O THR A 42 13.829 7.360 8.913 1.00 0.00 O ATOM 539 CB THR A 42 16.373 6.113 9.363 1.00 0.00 C ATOM 540 OG1 THR A 42 17.641 5.633 8.897 1.00 0.00 O ATOM 541 CG2 THR A 42 16.247 5.842 10.854 1.00 0.00 C ATOM 0 H THR A 42 16.318 6.023 6.885 1.00 0.00 H new ATOM 0 HA THR A 42 15.170 4.391 8.870 1.00 0.00 H new ATOM 0 HB THR A 42 16.302 7.189 9.201 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.361 6.067 9.401 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.065 6.332 11.383 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.296 6.232 11.216 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.290 4.768 11.033 1.00 0.00 H new ATOM 549 N GLY A 43 12.879 5.332 9.128 1.00 0.00 N ATOM 550 CA GLY A 43 11.575 5.870 9.452 1.00 0.00 C ATOM 551 C GLY A 43 10.835 6.369 8.231 1.00 0.00 C ATOM 552 O GLY A 43 9.815 7.046 8.349 1.00 0.00 O ATOM 0 H GLY A 43 12.923 4.313 9.095 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.980 5.101 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.689 6.688 10.163 1.00 0.00 H new ATOM 556 N VAL A 44 11.338 6.029 7.051 1.00 0.00 N ATOM 557 CA VAL A 44 10.709 6.466 5.814 1.00 0.00 C ATOM 558 C VAL A 44 10.212 5.282 4.996 1.00 0.00 C ATOM 559 O VAL A 44 10.985 4.396 4.618 1.00 0.00 O ATOM 560 CB VAL A 44 11.666 7.313 4.947 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.936 7.880 3.736 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.292 8.429 5.766 1.00 0.00 C ATOM 0 H VAL A 44 12.173 5.457 6.926 1.00 0.00 H new ATOM 0 HA VAL A 44 9.860 7.085 6.105 1.00 0.00 H new ATOM 0 HB VAL A 44 12.465 6.663 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.628 8.473 3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.544 7.062 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.112 8.511 4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.962 9.012 5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.508 9.077 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.856 8.000 6.594 1.00 0.00 H new ATOM 572 N LEU A 45 8.916 5.279 4.738 1.00 0.00 N ATOM 573 CA LEU A 45 8.283 4.233 3.957 1.00 0.00 C ATOM 574 C LEU A 45 7.875 4.789 2.603 1.00 0.00 C ATOM 575 O LEU A 45 7.441 5.936 2.504 1.00 0.00 O ATOM 576 CB LEU A 45 7.062 3.687 4.697 1.00 0.00 C ATOM 577 CG LEU A 45 7.378 2.927 5.985 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.168 2.900 6.905 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.830 1.513 5.662 1.00 0.00 C ATOM 0 H LEU A 45 8.274 6.001 5.064 1.00 0.00 H new ATOM 0 HA LEU A 45 8.989 3.416 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.398 4.518 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.515 3.025 4.026 1.00 0.00 H new ATOM 0 HG LEU A 45 8.187 3.445 6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.415 2.354 7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.882 3.920 7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.338 2.406 6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.052 0.982 6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.038 0.991 5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.725 1.550 5.041 1.00 0.00 H new ATOM 591 N ALA A 46 8.031 3.988 1.561 1.00 0.00 N ATOM 592 CA ALA A 46 7.684 4.427 0.215 1.00 0.00 C ATOM 593 C ALA A 46 7.178 3.265 -0.633 1.00 0.00 C ATOM 594 O ALA A 46 7.694 2.149 -0.540 1.00 0.00 O ATOM 595 CB ALA A 46 8.889 5.086 -0.439 1.00 0.00 C ATOM 0 H ALA A 46 8.393 3.036 1.618 1.00 0.00 H new ATOM 0 HA ALA A 46 6.876 5.155 0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.624 5.412 -1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.198 5.948 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.710 4.371 -0.494 1.00 0.00 H new ATOM 601 N CYS A 47 6.165 3.530 -1.452 1.00 0.00 N ATOM 602 CA CYS A 47 5.585 2.508 -2.318 1.00 0.00 C ATOM 603 C CYS A 47 5.829 2.861 -3.776 1.00 0.00 C ATOM 604 O CYS A 47 6.274 3.966 -4.080 1.00 0.00 O ATOM 605 CB CYS A 47 4.078 2.379 -2.070 1.00 0.00 C ATOM 606 SG CYS A 47 3.548 2.839 -0.391 1.00 0.00 S ATOM 0 H CYS A 47 5.727 4.447 -1.534 1.00 0.00 H new ATOM 0 HA CYS A 47 6.063 1.555 -2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.549 3.005 -2.789 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.778 1.349 -2.263 1.00 0.00 H new ATOM 611 N ASN A 48 5.545 1.927 -4.672 1.00 0.00 N ATOM 612 CA ASN A 48 5.731 2.170 -6.094 1.00 0.00 C ATOM 613 C ASN A 48 4.412 2.581 -6.737 1.00 0.00 C ATOM 614 O ASN A 48 3.372 1.975 -6.493 1.00 0.00 O ATOM 615 CB ASN A 48 6.323 0.938 -6.801 1.00 0.00 C ATOM 616 CG ASN A 48 5.387 -0.259 -6.857 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.551 -0.462 -5.979 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.536 -1.072 -7.896 1.00 0.00 N ATOM 0 H ASN A 48 5.187 1.000 -4.441 1.00 0.00 H new ATOM 0 HA ASN A 48 6.444 2.987 -6.207 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.601 1.215 -7.818 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.239 0.645 -6.289 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.945 -1.899 -7.986 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.241 -0.870 -8.605 1.00 0.00 H new ATOM 625 N PRO A 49 4.429 3.643 -7.550 1.00 0.00 N ATOM 626 CA PRO A 49 3.229 4.142 -8.226 1.00 0.00 C ATOM 627 C PRO A 49 2.869 3.322 -9.461 1.00 0.00 C ATOM 628 O PRO A 49 1.823 3.527 -10.079 1.00 0.00 O ATOM 629 CB PRO A 49 3.628 5.562 -8.622 1.00 0.00 C ATOM 630 CG PRO A 49 5.103 5.494 -8.827 1.00 0.00 C ATOM 631 CD PRO A 49 5.618 4.458 -7.861 1.00 0.00 C ATOM 0 HA PRO A 49 2.345 4.088 -7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.116 5.879 -9.530 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.369 6.279 -7.843 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.340 5.219 -9.855 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.566 6.463 -8.641 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.410 3.856 -8.306 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.033 4.919 -6.964 1.00 0.00 H new ATOM 639 N ALA A 50 3.744 2.387 -9.811 1.00 0.00 N ATOM 640 CA ALA A 50 3.539 1.535 -10.973 1.00 0.00 C ATOM 641 C ALA A 50 2.401 0.543 -10.754 1.00 0.00 C ATOM 642 O ALA A 50 1.404 0.560 -11.474 1.00 0.00 O ATOM 643 CB ALA A 50 4.821 0.794 -11.322 1.00 0.00 C ATOM 0 H ALA A 50 4.608 2.200 -9.302 1.00 0.00 H new ATOM 0 HA ALA A 50 3.261 2.180 -11.806 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.650 0.161 -12.193 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.608 1.514 -11.545 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.125 0.175 -10.478 1.00 0.00 H new ATOM 649 N ASP A 51 2.543 -0.304 -9.744 1.00 0.00 N ATOM 650 CA ASP A 51 1.536 -1.320 -9.449 1.00 0.00 C ATOM 651 C ASP A 51 0.580 -0.860 -8.360 1.00 0.00 C ATOM 652 O ASP A 51 -0.149 -1.667 -7.782 1.00 0.00 O ATOM 653 CB ASP A 51 2.204 -2.628 -9.026 1.00 0.00 C ATOM 654 CG ASP A 51 2.850 -3.349 -10.187 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.118 -3.910 -11.032 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.097 -3.368 -10.257 1.00 0.00 O ATOM 0 H ASP A 51 3.345 -0.310 -9.114 1.00 0.00 H new ATOM 0 HA ASP A 51 0.962 -1.484 -10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.958 -2.418 -8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.461 -3.279 -8.566 1.00 0.00 H new ATOM 661 N PHE A 52 0.578 0.434 -8.080 1.00 0.00 N ATOM 662 CA PHE A 52 -0.301 0.983 -7.061 1.00 0.00 C ATOM 663 C PHE A 52 -1.683 1.236 -7.654 1.00 0.00 C ATOM 664 O PHE A 52 -1.821 1.455 -8.860 1.00 0.00 O ATOM 665 CB PHE A 52 0.309 2.264 -6.465 1.00 0.00 C ATOM 666 CG PHE A 52 -0.538 3.499 -6.604 1.00 0.00 C ATOM 667 CD1 PHE A 52 -0.452 4.290 -7.739 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.414 3.873 -5.598 1.00 0.00 C ATOM 669 CE1 PHE A 52 -1.225 5.426 -7.869 1.00 0.00 C ATOM 670 CE2 PHE A 52 -2.188 5.008 -5.721 1.00 0.00 C ATOM 671 CZ PHE A 52 -2.095 5.786 -6.859 1.00 0.00 C ATOM 0 H PHE A 52 1.173 1.121 -8.543 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.411 0.265 -6.248 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.507 2.095 -5.406 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.271 2.446 -6.944 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.228 4.014 -8.531 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.492 3.268 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.150 6.032 -8.759 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.866 5.288 -4.929 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.702 6.674 -6.958 1.00 0.00 H new ATOM 681 N SER A 53 -2.700 1.188 -6.809 1.00 0.00 N ATOM 682 CA SER A 53 -4.070 1.404 -7.243 1.00 0.00 C ATOM 683 C SER A 53 -4.834 2.221 -6.204 1.00 0.00 C ATOM 684 O SER A 53 -4.976 1.808 -5.051 1.00 0.00 O ATOM 685 CB SER A 53 -4.766 0.061 -7.490 1.00 0.00 C ATOM 686 OG SER A 53 -3.988 -0.764 -8.348 1.00 0.00 O ATOM 0 H SER A 53 -2.601 1.000 -5.811 1.00 0.00 H new ATOM 0 HA SER A 53 -4.056 1.964 -8.178 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.930 -0.448 -6.540 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.747 0.231 -7.934 1.00 0.00 H new ATOM 0 HG SER A 53 -4.451 -1.616 -8.490 1.00 0.00 H new ATOM 692 N SER A 54 -5.301 3.395 -6.609 1.00 0.00 N ATOM 693 CA SER A 54 -6.052 4.262 -5.717 1.00 0.00 C ATOM 694 C SER A 54 -7.518 3.838 -5.674 1.00 0.00 C ATOM 695 O SER A 54 -8.290 4.132 -6.591 1.00 0.00 O ATOM 696 CB SER A 54 -5.924 5.721 -6.166 1.00 0.00 C ATOM 697 OG SER A 54 -5.842 5.817 -7.581 1.00 0.00 O ATOM 0 H SER A 54 -5.172 3.767 -7.550 1.00 0.00 H new ATOM 0 HA SER A 54 -5.640 4.173 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.782 6.291 -5.809 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.036 6.166 -5.716 1.00 0.00 H new ATOM 0 HG SER A 54 -5.763 6.759 -7.841 1.00 0.00 H new ATOM 703 N VAL A 55 -7.893 3.129 -4.619 1.00 0.00 N ATOM 704 CA VAL A 55 -9.260 2.666 -4.466 1.00 0.00 C ATOM 705 C VAL A 55 -10.086 3.689 -3.698 1.00 0.00 C ATOM 706 O VAL A 55 -9.654 4.213 -2.675 1.00 0.00 O ATOM 707 CB VAL A 55 -9.323 1.285 -3.767 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.771 1.348 -2.349 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.744 0.740 -3.778 1.00 0.00 C ATOM 0 H VAL A 55 -7.268 2.863 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.681 2.549 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.690 0.599 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.832 0.361 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.730 1.671 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.355 2.057 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.765 -0.230 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.403 1.431 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.083 0.629 -4.808 1.00 0.00 H new ATOM 719 N THR A 56 -11.259 4.000 -4.210 1.00 0.00 N ATOM 720 CA THR A 56 -12.126 4.961 -3.564 1.00 0.00 C ATOM 721 C THR A 56 -13.272 4.252 -2.849 1.00 0.00 C ATOM 722 O THR A 56 -13.792 3.242 -3.332 1.00 0.00 O ATOM 723 CB THR A 56 -12.666 5.999 -4.580 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.303 7.088 -3.898 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.642 5.364 -5.560 1.00 0.00 C ATOM 0 H THR A 56 -11.633 3.601 -5.071 1.00 0.00 H new ATOM 0 HA THR A 56 -11.539 5.500 -2.820 1.00 0.00 H new ATOM 0 HB THR A 56 -11.814 6.378 -5.144 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.637 7.735 -4.554 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.001 6.121 -6.258 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.139 4.571 -6.112 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.487 4.946 -5.013 1.00 0.00 H new ATOM 733 N ALA A 57 -13.623 4.754 -1.676 1.00 0.00 N ATOM 734 CA ALA A 57 -14.704 4.180 -0.897 1.00 0.00 C ATOM 735 C ALA A 57 -16.042 4.517 -1.538 1.00 0.00 C ATOM 736 O ALA A 57 -16.390 5.690 -1.687 1.00 0.00 O ATOM 737 CB ALA A 57 -14.651 4.678 0.538 1.00 0.00 C ATOM 0 H ALA A 57 -13.172 5.560 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.590 3.096 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.469 4.237 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.700 4.391 0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.745 5.764 0.550 1.00 0.00 H new ATOM 743 N ASP A 58 -16.780 3.486 -1.915 1.00 0.00 N ATOM 744 CA ASP A 58 -18.078 3.657 -2.561 1.00 0.00 C ATOM 745 C ASP A 58 -19.141 4.126 -1.573 1.00 0.00 C ATOM 746 O ASP A 58 -18.848 4.394 -0.409 1.00 0.00 O ATOM 747 CB ASP A 58 -18.524 2.355 -3.233 1.00 0.00 C ATOM 748 CG ASP A 58 -18.228 1.120 -2.408 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.766 1.001 -1.287 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.464 0.255 -2.884 1.00 0.00 O ATOM 0 H ASP A 58 -16.502 2.513 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.962 4.428 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.595 2.404 -3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.028 2.265 -4.199 1.00 0.00 H new ATOM 755 N ALA A 59 -20.382 4.206 -2.046 1.00 0.00 N ATOM 756 CA ALA A 59 -21.502 4.652 -1.222 1.00 0.00 C ATOM 757 C ALA A 59 -21.730 3.732 -0.023 1.00 0.00 C ATOM 758 O ALA A 59 -22.348 4.127 0.965 1.00 0.00 O ATOM 759 CB ALA A 59 -22.769 4.749 -2.062 1.00 0.00 C ATOM 0 H ALA A 59 -20.638 3.966 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.252 5.639 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.596 5.083 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.615 5.463 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.003 3.771 -2.482 1.00 0.00 H new ATOM 765 N ASN A 60 -21.221 2.508 -0.105 1.00 0.00 N ATOM 766 CA ASN A 60 -21.377 1.546 0.980 1.00 0.00 C ATOM 767 C ASN A 60 -20.289 1.759 2.024 1.00 0.00 C ATOM 768 O ASN A 60 -20.272 1.105 3.066 1.00 0.00 O ATOM 769 CB ASN A 60 -21.304 0.105 0.458 1.00 0.00 C ATOM 770 CG ASN A 60 -22.021 -0.089 -0.867 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.224 -0.357 -0.906 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.284 0.030 -1.957 1.00 0.00 N ATOM 0 H ASN A 60 -20.698 2.159 -0.908 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.357 1.704 1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.258 -0.180 0.343 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.738 -0.566 1.200 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.707 -0.101 -2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.292 0.253 -1.880 1.00 0.00 H new ATOM 779 N GLY A 61 -19.368 2.672 1.726 1.00 0.00 N ATOM 780 CA GLY A 61 -18.278 2.964 2.637 1.00 0.00 C ATOM 781 C GLY A 61 -17.226 1.879 2.620 1.00 0.00 C ATOM 782 O GLY A 61 -16.517 1.670 3.607 1.00 0.00 O ATOM 0 H GLY A 61 -19.359 3.217 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.822 3.916 2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.669 3.075 3.648 1.00 0.00 H new ATOM 786 N SER A 62 -17.131 1.179 1.497 1.00 0.00 N ATOM 787 CA SER A 62 -16.172 0.099 1.355 1.00 0.00 C ATOM 788 C SER A 62 -15.216 0.370 0.198 1.00 0.00 C ATOM 789 O SER A 62 -15.560 1.074 -0.753 1.00 0.00 O ATOM 790 CB SER A 62 -16.905 -1.229 1.142 1.00 0.00 C ATOM 791 OG SER A 62 -18.169 -1.032 0.515 1.00 0.00 O ATOM 0 H SER A 62 -17.708 1.342 0.672 1.00 0.00 H new ATOM 0 HA SER A 62 -15.585 0.036 2.271 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.292 -1.890 0.529 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.047 -1.726 2.102 1.00 0.00 H new ATOM 0 HG SER A 62 -18.083 -0.355 -0.188 1.00 0.00 H new ATOM 797 N ALA A 63 -14.010 -0.165 0.297 1.00 0.00 N ATOM 798 CA ALA A 63 -13.005 0.007 -0.739 1.00 0.00 C ATOM 799 C ALA A 63 -12.187 -1.266 -0.910 1.00 0.00 C ATOM 800 O ALA A 63 -11.303 -1.557 -0.105 1.00 0.00 O ATOM 801 CB ALA A 63 -12.101 1.184 -0.404 1.00 0.00 C ATOM 0 H ALA A 63 -13.702 -0.726 1.091 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.511 0.215 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.353 1.302 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.698 2.093 -0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.603 1.001 0.548 1.00 0.00 H new ATOM 807 N SER A 64 -12.506 -2.036 -1.942 1.00 0.00 N ATOM 808 CA SER A 64 -11.796 -3.271 -2.220 1.00 0.00 C ATOM 809 C SER A 64 -10.950 -3.121 -3.477 1.00 0.00 C ATOM 810 O SER A 64 -11.430 -2.644 -4.505 1.00 0.00 O ATOM 811 CB SER A 64 -12.782 -4.428 -2.381 1.00 0.00 C ATOM 812 OG SER A 64 -12.101 -5.662 -2.524 1.00 0.00 O ATOM 0 H SER A 64 -13.255 -1.823 -2.601 1.00 0.00 H new ATOM 0 HA SER A 64 -11.138 -3.490 -1.379 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.441 -4.471 -1.514 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.413 -4.254 -3.253 1.00 0.00 H new ATOM 0 HG SER A 64 -12.754 -6.386 -2.624 1.00 0.00 H new ATOM 818 N THR A 65 -9.688 -3.511 -3.384 1.00 0.00 N ATOM 819 CA THR A 65 -8.771 -3.426 -4.504 1.00 0.00 C ATOM 820 C THR A 65 -7.732 -4.548 -4.427 1.00 0.00 C ATOM 821 O THR A 65 -7.720 -5.328 -3.472 1.00 0.00 O ATOM 822 CB THR A 65 -8.072 -2.048 -4.543 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.449 -1.841 -5.818 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.034 -1.917 -3.432 1.00 0.00 C ATOM 0 H THR A 65 -9.275 -3.893 -2.533 1.00 0.00 H new ATOM 0 HA THR A 65 -9.345 -3.541 -5.423 1.00 0.00 H new ATOM 0 HB THR A 65 -8.835 -1.286 -4.386 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.012 -0.964 -5.830 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.562 -0.936 -3.489 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.521 -2.029 -2.464 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.276 -2.692 -3.549 1.00 0.00 H new ATOM 832 N SER A 66 -6.874 -4.632 -5.434 1.00 0.00 N ATOM 833 CA SER A 66 -5.849 -5.659 -5.484 1.00 0.00 C ATOM 834 C SER A 66 -4.532 -5.073 -5.994 1.00 0.00 C ATOM 835 O SER A 66 -4.514 -4.352 -6.993 1.00 0.00 O ATOM 836 CB SER A 66 -6.320 -6.802 -6.387 1.00 0.00 C ATOM 837 OG SER A 66 -7.673 -7.150 -6.110 1.00 0.00 O ATOM 0 H SER A 66 -6.870 -3.996 -6.231 1.00 0.00 H new ATOM 0 HA SER A 66 -5.677 -6.047 -4.480 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.224 -6.507 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.680 -7.672 -6.241 1.00 0.00 H new ATOM 0 HG SER A 66 -7.950 -7.881 -6.701 1.00 0.00 H new ATOM 843 N LEU A 67 -3.436 -5.383 -5.301 1.00 0.00 N ATOM 844 CA LEU A 67 -2.116 -4.874 -5.667 1.00 0.00 C ATOM 845 C LEU A 67 -1.165 -6.016 -6.014 1.00 0.00 C ATOM 846 O LEU A 67 -1.297 -7.121 -5.495 1.00 0.00 O ATOM 847 CB LEU A 67 -1.504 -4.064 -4.511 1.00 0.00 C ATOM 848 CG LEU A 67 -2.171 -2.720 -4.191 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.453 -1.941 -5.465 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.451 -2.930 -3.395 1.00 0.00 C ATOM 0 H LEU A 67 -3.438 -5.987 -4.479 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.248 -4.233 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.528 -4.680 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.455 -3.878 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.482 -2.136 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.926 -0.992 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.517 -1.752 -5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.119 -2.520 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.908 -1.964 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.145 -3.538 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.218 -3.439 -2.460 1.00 0.00 H new ATOM 862 N THR A 68 -0.209 -5.744 -6.889 1.00 0.00 N ATOM 863 CA THR A 68 0.782 -6.740 -7.277 1.00 0.00 C ATOM 864 C THR A 68 2.116 -6.399 -6.626 1.00 0.00 C ATOM 865 O THR A 68 2.666 -5.324 -6.860 1.00 0.00 O ATOM 866 CB THR A 68 0.966 -6.800 -8.806 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.305 -6.681 -9.452 1.00 0.00 O ATOM 868 CG2 THR A 68 1.626 -8.107 -9.222 1.00 0.00 C ATOM 0 H THR A 68 -0.097 -4.839 -7.346 1.00 0.00 H new ATOM 0 HA THR A 68 0.428 -7.715 -6.942 1.00 0.00 H new ATOM 0 HB THR A 68 1.610 -5.974 -9.106 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.183 -6.718 -10.424 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.745 -8.126 -10.305 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.604 -8.188 -8.748 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.002 -8.945 -8.911 1.00 0.00 H new ATOM 876 N VAL A 69 2.625 -7.292 -5.793 1.00 0.00 N ATOM 877 CA VAL A 69 3.883 -7.033 -5.109 1.00 0.00 C ATOM 878 C VAL A 69 5.086 -7.535 -5.913 1.00 0.00 C ATOM 879 O VAL A 69 5.151 -8.696 -6.317 1.00 0.00 O ATOM 880 CB VAL A 69 3.896 -7.642 -3.684 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.698 -9.150 -3.722 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.186 -7.276 -2.960 1.00 0.00 C ATOM 0 H VAL A 69 2.194 -8.191 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 69 3.968 -5.950 -5.018 1.00 0.00 H new ATOM 0 HB VAL A 69 3.059 -7.219 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.712 -9.545 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.739 -9.379 -4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.500 -9.608 -4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.179 -7.712 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.039 -7.663 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.265 -6.192 -2.882 1.00 0.00 H new ATOM 892 N ARG A 70 6.019 -6.627 -6.166 1.00 0.00 N ATOM 893 CA ARG A 70 7.239 -6.942 -6.899 1.00 0.00 C ATOM 894 C ARG A 70 8.372 -7.228 -5.922 1.00 0.00 C ATOM 895 O ARG A 70 8.234 -7.002 -4.718 1.00 0.00 O ATOM 896 CB ARG A 70 7.634 -5.770 -7.801 1.00 0.00 C ATOM 897 CG ARG A 70 6.509 -5.264 -8.686 1.00 0.00 C ATOM 898 CD ARG A 70 6.187 -6.244 -9.800 1.00 0.00 C ATOM 899 NE ARG A 70 4.970 -5.869 -10.505 1.00 0.00 N ATOM 900 CZ ARG A 70 4.257 -6.698 -11.261 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.665 -7.950 -11.461 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.140 -6.274 -11.826 1.00 0.00 N ATOM 0 H ARG A 70 5.952 -5.653 -5.870 1.00 0.00 H new ATOM 0 HA ARG A 70 7.056 -7.823 -7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.989 -4.949 -7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.469 -6.076 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.618 -5.095 -8.081 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.789 -4.303 -9.117 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.019 -6.283 -10.503 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.074 -7.245 -9.384 1.00 0.00 H new ATOM 0 HE ARG A 70 4.643 -4.907 -10.413 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.530 -8.279 -11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.112 -8.580 -12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.828 -5.314 -11.681 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.590 -6.907 -12.407 1.00 0.00 H new ATOM 916 N ARG A 71 9.492 -7.716 -6.434 1.00 0.00 N ATOM 917 CA ARG A 71 10.640 -8.012 -5.591 1.00 0.00 C ATOM 918 C ARG A 71 11.465 -6.747 -5.369 1.00 0.00 C ATOM 919 O ARG A 71 11.924 -6.471 -4.261 1.00 0.00 O ATOM 920 CB ARG A 71 11.501 -9.099 -6.227 1.00 0.00 C ATOM 921 CG ARG A 71 12.505 -9.721 -5.270 1.00 0.00 C ATOM 922 CD ARG A 71 11.837 -10.676 -4.289 1.00 0.00 C ATOM 923 NE ARG A 71 11.242 -11.827 -4.968 1.00 0.00 N ATOM 924 CZ ARG A 71 11.077 -13.028 -4.413 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.489 -13.255 -3.174 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.495 -14.001 -5.102 1.00 0.00 N ATOM 0 H ARG A 71 9.630 -7.915 -7.425 1.00 0.00 H new ATOM 0 HA ARG A 71 10.282 -8.374 -4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.852 -9.882 -6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.036 -8.675 -7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.265 -10.257 -5.839 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.017 -8.933 -4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.572 -11.023 -3.563 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.065 -10.144 -3.733 1.00 0.00 H new ATOM 0 HE ARG A 71 10.932 -11.702 -5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.935 -12.509 -2.640 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.360 -14.176 -2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.174 -13.830 -6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.368 -14.920 -4.679 1.00 0.00 H new ATOM 940 N SER A 72 11.649 -5.992 -6.439 1.00 0.00 N ATOM 941 CA SER A 72 12.391 -4.740 -6.395 1.00 0.00 C ATOM 942 C SER A 72 11.563 -3.651 -7.076 1.00 0.00 C ATOM 943 O SER A 72 11.063 -3.850 -8.184 1.00 0.00 O ATOM 944 CB SER A 72 13.750 -4.904 -7.088 1.00 0.00 C ATOM 945 OG SER A 72 14.383 -6.118 -6.699 1.00 0.00 O ATOM 0 H SER A 72 11.289 -6.228 -7.364 1.00 0.00 H new ATOM 0 HA SER A 72 12.576 -4.456 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.613 -4.892 -8.169 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.393 -4.060 -6.839 1.00 0.00 H new ATOM 0 HG SER A 72 14.566 -6.098 -5.736 1.00 0.00 H new ATOM 951 N PHE A 73 11.400 -2.514 -6.415 1.00 0.00 N ATOM 952 CA PHE A 73 10.597 -1.428 -6.966 1.00 0.00 C ATOM 953 C PHE A 73 11.164 -0.067 -6.580 1.00 0.00 C ATOM 954 O PHE A 73 12.108 0.021 -5.797 1.00 0.00 O ATOM 955 CB PHE A 73 9.150 -1.547 -6.468 1.00 0.00 C ATOM 956 CG PHE A 73 9.026 -1.580 -4.964 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.199 -2.766 -4.270 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.744 -0.428 -4.248 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.094 -2.803 -2.893 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.635 -0.460 -2.870 1.00 0.00 C ATOM 961 CZ PHE A 73 8.809 -1.649 -2.192 1.00 0.00 C ATOM 0 H PHE A 73 11.810 -2.318 -5.502 1.00 0.00 H new ATOM 0 HA PHE A 73 10.620 -1.509 -8.053 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.573 -0.706 -6.853 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.707 -2.454 -6.880 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.419 -3.674 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.608 0.506 -4.772 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.235 -3.735 -2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.414 0.445 -2.325 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.722 -1.676 -1.116 1.00 0.00 H new ATOM 971 N GLU A 74 10.582 0.989 -7.130 1.00 0.00 N ATOM 972 CA GLU A 74 11.016 2.345 -6.833 1.00 0.00 C ATOM 973 C GLU A 74 10.093 2.950 -5.780 1.00 0.00 C ATOM 974 O GLU A 74 8.876 2.961 -5.954 1.00 0.00 O ATOM 975 CB GLU A 74 11.004 3.193 -8.107 1.00 0.00 C ATOM 976 CG GLU A 74 11.746 4.514 -7.980 1.00 0.00 C ATOM 977 CD GLU A 74 13.212 4.338 -7.645 1.00 0.00 C ATOM 978 OE1 GLU A 74 13.833 3.371 -8.141 1.00 0.00 O ATOM 979 OE2 GLU A 74 13.755 5.173 -6.898 1.00 0.00 O ATOM 0 H GLU A 74 9.804 0.931 -7.787 1.00 0.00 H new ATOM 0 HA GLU A 74 12.035 2.324 -6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.447 2.616 -8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.970 3.395 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.656 5.066 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.272 5.118 -7.206 1.00 0.00 H new ATOM 986 N GLY A 75 10.672 3.439 -4.691 1.00 0.00 N ATOM 987 CA GLY A 75 9.879 4.019 -3.625 1.00 0.00 C ATOM 988 C GLY A 75 9.542 5.472 -3.874 1.00 0.00 C ATOM 989 O GLY A 75 10.427 6.286 -4.157 1.00 0.00 O ATOM 0 H GLY A 75 11.679 3.444 -4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.956 3.450 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.423 3.932 -2.684 1.00 0.00 H new ATOM 993 N PHE A 76 8.264 5.800 -3.754 1.00 0.00 N ATOM 994 CA PHE A 76 7.790 7.158 -3.973 1.00 0.00 C ATOM 995 C PHE A 76 7.008 7.655 -2.768 1.00 0.00 C ATOM 996 O PHE A 76 6.506 6.860 -1.973 1.00 0.00 O ATOM 997 CB PHE A 76 6.905 7.229 -5.221 1.00 0.00 C ATOM 998 CG PHE A 76 7.669 7.370 -6.505 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.305 6.280 -7.073 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.743 8.591 -7.147 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.999 6.407 -8.259 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.437 8.724 -8.337 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.065 7.630 -8.892 1.00 0.00 C ATOM 0 H PHE A 76 7.531 5.137 -3.504 1.00 0.00 H new ATOM 0 HA PHE A 76 8.662 7.795 -4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.293 6.328 -5.271 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.222 8.073 -5.122 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.258 5.319 -6.582 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.254 9.452 -6.715 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.491 5.548 -8.691 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.486 9.684 -8.830 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.607 7.730 -9.820 1.00 0.00 H new ATOM 1013 N LEU A 77 6.923 8.971 -2.635 1.00 0.00 N ATOM 1014 CA LEU A 77 6.196 9.589 -1.540 1.00 0.00 C ATOM 1015 C LEU A 77 4.746 9.834 -1.939 1.00 0.00 C ATOM 1016 O LEU A 77 4.305 9.415 -3.013 1.00 0.00 O ATOM 1017 CB LEU A 77 6.863 10.909 -1.138 1.00 0.00 C ATOM 1018 CG LEU A 77 8.243 10.774 -0.495 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.838 12.145 -0.233 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.153 9.976 0.796 1.00 0.00 C ATOM 0 H LEU A 77 7.353 9.635 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 77 6.214 8.912 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.953 11.536 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.206 11.432 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 77 8.896 10.239 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.821 12.034 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.936 12.685 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.186 12.702 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.145 9.890 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.486 10.485 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.763 8.981 0.582 1.00 0.00 H new ATOM 1032 N PHE A 78 4.017 10.533 -1.081 1.00 0.00 N ATOM 1033 CA PHE A 78 2.612 10.828 -1.329 1.00 0.00 C ATOM 1034 C PHE A 78 2.461 11.959 -2.342 1.00 0.00 C ATOM 1035 O PHE A 78 1.507 11.987 -3.118 1.00 0.00 O ATOM 1036 CB PHE A 78 1.916 11.199 -0.017 1.00 0.00 C ATOM 1037 CG PHE A 78 0.435 10.963 -0.028 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -0.072 9.675 0.006 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.450 12.028 -0.071 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -1.435 9.453 -0.004 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.813 11.813 -0.080 1.00 0.00 C ATOM 1042 CZ PHE A 78 -2.306 10.524 -0.047 1.00 0.00 C ATOM 0 H PHE A 78 4.377 10.908 -0.203 1.00 0.00 H new ATOM 0 HA PHE A 78 2.143 9.936 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.360 10.622 0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.105 12.251 0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.606 8.835 0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.069 13.038 -0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.819 8.444 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.493 12.652 -0.113 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.372 10.353 -0.055 1.00 0.00 H new ATOM 1052 N ASP A 79 3.415 12.880 -2.332 1.00 0.00 N ATOM 1053 CA ASP A 79 3.389 14.025 -3.237 1.00 0.00 C ATOM 1054 C ASP A 79 3.801 13.625 -4.652 1.00 0.00 C ATOM 1055 O ASP A 79 3.334 14.215 -5.628 1.00 0.00 O ATOM 1056 CB ASP A 79 4.303 15.140 -2.718 1.00 0.00 C ATOM 1057 CG ASP A 79 5.768 14.816 -2.886 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.317 14.082 -2.044 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.381 15.296 -3.861 1.00 0.00 O ATOM 0 H ASP A 79 4.220 12.858 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 79 2.364 14.394 -3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.077 16.066 -3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.092 15.316 -1.663 1.00 0.00 H new ATOM 1064 N GLY A 80 4.670 12.627 -4.769 1.00 0.00 N ATOM 1065 CA GLY A 80 5.105 12.189 -6.083 1.00 0.00 C ATOM 1066 C GLY A 80 6.614 12.113 -6.227 1.00 0.00 C ATOM 1067 O GLY A 80 7.120 11.653 -7.252 1.00 0.00 O ATOM 0 H GLY A 80 5.078 12.117 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.678 11.208 -6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.710 12.873 -6.834 1.00 0.00 H new ATOM 1071 N THR A 81 7.341 12.576 -5.221 1.00 0.00 N ATOM 1072 CA THR A 81 8.797 12.532 -5.262 1.00 0.00 C ATOM 1073 C THR A 81 9.304 11.151 -4.859 1.00 0.00 C ATOM 1074 O THR A 81 8.764 10.532 -3.943 1.00 0.00 O ATOM 1075 CB THR A 81 9.416 13.598 -4.340 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.824 14.877 -4.609 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.924 13.685 -4.537 1.00 0.00 C ATOM 0 H THR A 81 6.951 12.984 -4.371 1.00 0.00 H new ATOM 0 HA THR A 81 9.101 12.742 -6.287 1.00 0.00 H new ATOM 0 HB THR A 81 9.218 13.309 -3.308 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.104 15.046 -3.966 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.334 14.446 -3.873 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.377 12.721 -4.308 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.141 13.951 -5.572 1.00 0.00 H new ATOM 1085 N ARG A 82 10.321 10.658 -5.560 1.00 0.00 N ATOM 1086 CA ARG A 82 10.890 9.352 -5.250 1.00 0.00 C ATOM 1087 C ARG A 82 11.932 9.483 -4.149 1.00 0.00 C ATOM 1088 O ARG A 82 12.522 10.548 -3.963 1.00 0.00 O ATOM 1089 CB ARG A 82 11.519 8.707 -6.493 1.00 0.00 C ATOM 1090 CG ARG A 82 12.944 9.163 -6.776 1.00 0.00 C ATOM 1091 CD ARG A 82 13.611 8.290 -7.829 1.00 0.00 C ATOM 1092 NE ARG A 82 15.002 8.679 -8.059 1.00 0.00 N ATOM 1093 CZ ARG A 82 16.056 7.895 -7.815 1.00 0.00 C ATOM 1094 NH1 ARG A 82 15.889 6.665 -7.331 1.00 0.00 N ATOM 1095 NH2 ARG A 82 17.282 8.340 -8.058 1.00 0.00 N ATOM 0 H ARG A 82 10.765 11.140 -6.341 1.00 0.00 H new ATOM 0 HA ARG A 82 10.081 8.707 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.513 7.624 -6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.898 8.932 -7.360 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.935 10.199 -7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.526 9.133 -5.855 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.573 7.247 -7.513 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.055 8.360 -8.764 1.00 0.00 H new ATOM 0 HE ARG A 82 15.179 9.612 -8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.950 6.314 -7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.700 6.074 -7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.419 9.280 -8.431 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.088 7.743 -7.872 1.00 0.00 H new ATOM 1109 N TRP A 83 12.148 8.404 -3.414 1.00 0.00 N ATOM 1110 CA TRP A 83 13.128 8.408 -2.337 1.00 0.00 C ATOM 1111 C TRP A 83 14.311 7.527 -2.707 1.00 0.00 C ATOM 1112 O TRP A 83 15.463 7.856 -2.418 1.00 0.00 O ATOM 1113 CB TRP A 83 12.496 7.925 -1.031 1.00 0.00 C ATOM 1114 CG TRP A 83 13.252 8.352 0.190 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.341 7.736 0.733 1.00 0.00 C ATOM 1116 CD2 TRP A 83 12.973 9.484 1.016 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.761 8.417 1.848 1.00 0.00 N ATOM 1118 CE2 TRP A 83 13.936 9.495 2.047 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.004 10.490 0.991 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 13.953 10.472 3.037 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.023 11.460 1.973 1.00 0.00 C ATOM 1122 CH2 TRP A 83 12.991 11.446 2.984 1.00 0.00 C ATOM 0 H TRP A 83 11.661 7.517 -3.542 1.00 0.00 H new ATOM 0 HA TRP A 83 13.479 9.430 -2.190 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.476 8.303 -0.968 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.432 6.837 -1.048 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.805 6.842 0.342 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.557 8.163 2.433 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.252 10.509 0.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 14.698 10.463 3.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.279 12.243 1.961 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.979 12.219 3.738 1.00 0.00 H new ATOM 1133 N GLY A 84 14.020 6.415 -3.361 1.00 0.00 N ATOM 1134 CA GLY A 84 15.057 5.497 -3.766 1.00 0.00 C ATOM 1135 C GLY A 84 14.494 4.135 -4.088 1.00 0.00 C ATOM 1136 O GLY A 84 13.341 3.841 -3.756 1.00 0.00 O ATOM 0 H GLY A 84 13.075 6.132 -3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.575 5.894 -4.639 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.796 5.407 -2.970 1.00 0.00 H new ATOM 1140 N THR A 85 15.290 3.311 -4.742 1.00 0.00 N ATOM 1141 CA THR A 85 14.865 1.975 -5.113 1.00 0.00 C ATOM 1142 C THR A 85 14.822 1.051 -3.895 1.00 0.00 C ATOM 1143 O THR A 85 15.831 0.850 -3.215 1.00 0.00 O ATOM 1144 CB THR A 85 15.801 1.385 -6.185 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.085 2.380 -7.182 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.167 0.168 -6.847 1.00 0.00 C ATOM 0 H THR A 85 16.240 3.545 -5.029 1.00 0.00 H new ATOM 0 HA THR A 85 13.858 2.051 -5.524 1.00 0.00 H new ATOM 0 HB THR A 85 16.727 1.075 -5.700 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.250 2.808 -7.464 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.846 -0.232 -7.600 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.971 -0.595 -6.094 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.230 0.459 -7.321 1.00 0.00 H new ATOM 1154 N VAL A 86 13.650 0.497 -3.623 1.00 0.00 N ATOM 1155 CA VAL A 86 13.471 -0.399 -2.494 1.00 0.00 C ATOM 1156 C VAL A 86 13.469 -1.842 -2.974 1.00 0.00 C ATOM 1157 O VAL A 86 12.775 -2.190 -3.929 1.00 0.00 O ATOM 1158 CB VAL A 86 12.159 -0.114 -1.733 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.278 -0.555 -0.285 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.793 1.359 -1.810 1.00 0.00 C ATOM 0 H VAL A 86 12.805 0.654 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 86 14.302 -0.231 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 86 11.362 -0.686 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.344 -0.347 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.485 -1.625 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.091 -0.011 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.865 1.532 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.590 1.956 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.661 1.647 -2.853 1.00 0.00 H new ATOM 1170 N ASP A 87 14.249 -2.678 -2.320 1.00 0.00 N ATOM 1171 CA ASP A 87 14.340 -4.076 -2.697 1.00 0.00 C ATOM 1172 C ASP A 87 13.920 -4.979 -1.546 1.00 0.00 C ATOM 1173 O ASP A 87 14.377 -4.810 -0.418 1.00 0.00 O ATOM 1174 CB ASP A 87 15.764 -4.414 -3.126 1.00 0.00 C ATOM 1175 CG ASP A 87 15.955 -5.898 -3.329 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.398 -6.443 -4.300 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.649 -6.533 -2.508 1.00 0.00 O ATOM 0 H ASP A 87 14.830 -2.415 -1.524 1.00 0.00 H new ATOM 0 HA ASP A 87 13.662 -4.245 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.999 -3.888 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.465 -4.058 -2.371 1.00 0.00 H new ATOM 1182 N CYS A 88 13.054 -5.937 -1.837 1.00 0.00 N ATOM 1183 CA CYS A 88 12.576 -6.862 -0.824 1.00 0.00 C ATOM 1184 C CYS A 88 13.148 -8.260 -1.039 1.00 0.00 C ATOM 1185 O CYS A 88 12.614 -9.241 -0.521 1.00 0.00 O ATOM 1186 CB CYS A 88 11.045 -6.899 -0.814 1.00 0.00 C ATOM 1187 SG CYS A 88 10.285 -5.535 0.126 1.00 0.00 S ATOM 0 H CYS A 88 12.668 -6.094 -2.768 1.00 0.00 H new ATOM 0 HA CYS A 88 12.921 -6.507 0.147 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.683 -6.866 -1.842 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.716 -7.848 -0.390 1.00 0.00 H new ATOM 1192 N THR A 89 14.235 -8.358 -1.801 1.00 0.00 N ATOM 1193 CA THR A 89 14.877 -9.648 -2.035 1.00 0.00 C ATOM 1194 C THR A 89 15.556 -10.108 -0.745 1.00 0.00 C ATOM 1195 O THR A 89 15.650 -11.302 -0.452 1.00 0.00 O ATOM 1196 CB THR A 89 15.924 -9.570 -3.173 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.337 -8.986 -4.342 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.464 -10.949 -3.521 1.00 0.00 C ATOM 0 H THR A 89 14.686 -7.568 -2.263 1.00 0.00 H new ATOM 0 HA THR A 89 14.110 -10.361 -2.338 1.00 0.00 H new ATOM 0 HB THR A 89 16.749 -8.950 -2.823 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.120 -8.047 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.197 -10.861 -4.323 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.938 -11.386 -2.642 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.644 -11.589 -3.847 1.00 0.00 H new ATOM 1206 N THR A 90 16.006 -9.132 0.030 1.00 0.00 N ATOM 1207 CA THR A 90 16.666 -9.386 1.298 1.00 0.00 C ATOM 1208 C THR A 90 15.991 -8.580 2.414 1.00 0.00 C ATOM 1209 O THR A 90 16.574 -8.339 3.475 1.00 0.00 O ATOM 1210 CB THR A 90 18.174 -9.031 1.217 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.850 -9.431 2.417 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.377 -7.538 0.992 1.00 0.00 C ATOM 0 H THR A 90 15.923 -8.143 -0.204 1.00 0.00 H new ATOM 0 HA THR A 90 16.578 -10.449 1.524 1.00 0.00 H new ATOM 0 HB THR A 90 18.594 -9.571 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.304 -9.193 3.195 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.444 -7.320 0.940 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.900 -7.243 0.058 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.933 -6.982 1.818 1.00 0.00 H new ATOM 1220 N ALA A 91 14.749 -8.178 2.169 1.00 0.00 N ATOM 1221 CA ALA A 91 13.987 -7.400 3.135 1.00 0.00 C ATOM 1222 C ALA A 91 12.523 -7.831 3.142 1.00 0.00 C ATOM 1223 O ALA A 91 12.117 -8.688 2.352 1.00 0.00 O ATOM 1224 CB ALA A 91 14.110 -5.912 2.829 1.00 0.00 C ATOM 0 H ALA A 91 14.247 -8.380 1.304 1.00 0.00 H new ATOM 0 HA ALA A 91 14.397 -7.584 4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.535 -5.342 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.158 -5.615 2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.725 -5.713 1.829 1.00 0.00 H new ATOM 1230 N ALA A 92 11.734 -7.236 4.022 1.00 0.00 N ATOM 1231 CA ALA A 92 10.323 -7.565 4.121 1.00 0.00 C ATOM 1232 C ALA A 92 9.460 -6.417 3.613 1.00 0.00 C ATOM 1233 O ALA A 92 9.575 -5.281 4.080 1.00 0.00 O ATOM 1234 CB ALA A 92 9.959 -7.912 5.556 1.00 0.00 C ATOM 0 H ALA A 92 12.048 -6.522 4.679 1.00 0.00 H new ATOM 0 HA ALA A 92 10.131 -8.435 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.898 -8.156 5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.547 -8.769 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.171 -7.059 6.201 1.00 0.00 H new ATOM 1240 N CYS A 93 8.601 -6.716 2.653 1.00 0.00 N ATOM 1241 CA CYS A 93 7.706 -5.718 2.077 1.00 0.00 C ATOM 1242 C CYS A 93 6.439 -5.606 2.917 1.00 0.00 C ATOM 1243 O CYS A 93 6.162 -6.467 3.752 1.00 0.00 O ATOM 1244 CB CYS A 93 7.337 -6.098 0.636 1.00 0.00 C ATOM 1245 SG CYS A 93 8.415 -5.379 -0.648 1.00 0.00 S ATOM 0 H CYS A 93 8.502 -7.648 2.251 1.00 0.00 H new ATOM 0 HA CYS A 93 8.219 -4.757 2.069 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.362 -7.184 0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.310 -5.785 0.445 1.00 0.00 H new ATOM 1250 N GLN A 94 5.672 -4.550 2.701 1.00 0.00 N ATOM 1251 CA GLN A 94 4.432 -4.353 3.430 1.00 0.00 C ATOM 1252 C GLN A 94 3.414 -3.645 2.550 1.00 0.00 C ATOM 1253 O GLN A 94 3.768 -3.073 1.518 1.00 0.00 O ATOM 1254 CB GLN A 94 4.681 -3.556 4.716 1.00 0.00 C ATOM 1255 CG GLN A 94 5.256 -2.168 4.485 1.00 0.00 C ATOM 1256 CD GLN A 94 6.000 -1.640 5.693 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.212 -1.816 5.812 1.00 0.00 O ATOM 1258 NE2 GLN A 94 5.282 -1.002 6.604 1.00 0.00 N ATOM 0 H GLN A 94 5.887 -3.816 2.026 1.00 0.00 H new ATOM 0 HA GLN A 94 4.034 -5.329 3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.741 -3.462 5.260 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.363 -4.119 5.353 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.931 -2.196 3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.448 -1.481 4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.279 -0.877 6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.732 -0.635 7.443 1.00 0.00 H new ATOM 1267 N VAL A 95 2.157 -3.697 2.949 1.00 0.00 N ATOM 1268 CA VAL A 95 1.092 -3.058 2.193 1.00 0.00 C ATOM 1269 C VAL A 95 0.803 -1.671 2.751 1.00 0.00 C ATOM 1270 O VAL A 95 0.432 -1.528 3.919 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.200 -3.897 2.213 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.188 -3.386 1.176 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.117 -5.365 1.980 1.00 0.00 C ATOM 0 H VAL A 95 1.846 -4.176 3.794 1.00 0.00 H new ATOM 0 HA VAL A 95 1.432 -2.974 1.161 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.661 -3.798 3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.093 -3.992 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.439 -2.348 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.741 -3.451 0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.806 -5.944 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.601 -5.483 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.784 -5.722 2.765 1.00 0.00 H new ATOM 1283 N GLY A 96 0.986 -0.654 1.922 1.00 0.00 N ATOM 1284 CA GLY A 96 0.746 0.704 2.350 1.00 0.00 C ATOM 1285 C GLY A 96 -0.574 1.229 1.843 1.00 0.00 C ATOM 1286 O GLY A 96 -0.821 1.253 0.637 1.00 0.00 O ATOM 0 H GLY A 96 1.298 -0.749 0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.760 0.749 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.553 1.345 1.994 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.422 1.645 2.764 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.732 2.168 2.422 1.00 0.00 C ATOM 1292 C LEU A 97 -3.047 3.383 3.281 1.00 0.00 C ATOM 1293 O LEU A 97 -3.012 3.308 4.510 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.800 1.082 2.615 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.391 -0.085 3.526 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.763 0.195 4.972 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.025 -1.382 3.054 1.00 0.00 C ATOM 0 H LEU A 97 -1.225 1.631 3.765 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.732 2.472 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.696 1.546 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.069 0.682 1.637 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.308 -0.190 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.462 -0.647 5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.253 1.097 5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.841 0.337 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.722 -2.196 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.110 -1.284 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.698 -1.598 2.037 1.00 0.00 H new ATOM 1309 N SER A 98 -3.314 4.511 2.640 1.00 0.00 N ATOM 1310 CA SER A 98 -3.625 5.739 3.361 1.00 0.00 C ATOM 1311 C SER A 98 -4.518 6.658 2.531 1.00 0.00 C ATOM 1312 O SER A 98 -4.583 6.537 1.308 1.00 0.00 O ATOM 1313 CB SER A 98 -2.332 6.462 3.733 1.00 0.00 C ATOM 1314 OG SER A 98 -1.465 5.606 4.458 1.00 0.00 O ATOM 0 H SER A 98 -3.322 4.603 1.624 1.00 0.00 H new ATOM 0 HA SER A 98 -4.167 5.473 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.833 6.811 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.563 7.344 4.331 1.00 0.00 H new ATOM 0 HG SER A 98 -0.643 6.089 4.684 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.210 7.564 3.209 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.097 8.515 2.547 1.00 0.00 C ATOM 1322 C ASP A 99 -5.342 9.794 2.189 1.00 0.00 C ATOM 1323 O ASP A 99 -4.119 9.851 2.304 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.298 8.839 3.446 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.965 9.812 4.565 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.824 9.795 5.064 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.849 10.603 4.947 1.00 0.00 O ATOM 0 H ASP A 99 -5.174 7.661 4.224 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.463 8.061 1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.098 9.258 2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.679 7.914 3.879 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.084 10.823 1.790 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.501 12.106 1.405 1.00 0.00 C ATOM 1334 C ALA A 100 -4.734 12.768 2.555 1.00 0.00 C ATOM 1335 O ALA A 100 -3.820 13.556 2.319 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.594 13.037 0.902 1.00 0.00 C ATOM 0 H ALA A 100 -7.101 10.792 1.724 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.782 11.913 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.155 13.993 0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.084 12.589 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.328 13.197 1.692 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.111 12.451 3.792 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.455 13.025 4.963 1.00 0.00 C ATOM 1344 C ALA A 101 -3.258 12.183 5.392 1.00 0.00 C ATOM 1345 O ALA A 101 -2.361 12.664 6.092 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.443 13.146 6.113 1.00 0.00 C ATOM 0 H ALA A 101 -5.866 11.801 4.008 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.095 14.018 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.941 13.575 6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.270 13.791 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.827 12.158 6.368 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.243 10.932 4.960 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.165 10.034 5.318 1.00 0.00 C ATOM 1354 C GLY A 102 -2.548 9.153 6.485 1.00 0.00 C ATOM 1355 O GLY A 102 -1.690 8.689 7.238 1.00 0.00 O ATOM 0 H GLY A 102 -3.962 10.520 4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.906 9.413 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.277 10.612 5.572 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.843 8.935 6.635 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.372 8.110 7.710 1.00 0.00 C ATOM 1361 C ASN A 103 -5.145 6.930 7.134 1.00 0.00 C ATOM 1362 O ASN A 103 -5.144 6.712 5.921 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.295 8.936 8.608 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.571 10.044 9.349 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.433 9.879 9.791 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.226 11.185 9.484 1.00 0.00 N ATOM 0 H ASN A 103 -4.556 9.323 6.018 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.536 7.738 8.303 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.088 9.372 8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.774 8.276 9.331 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.790 11.969 9.969 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.167 11.281 9.103 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.807 6.179 8.001 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.576 5.041 7.548 1.00 0.00 C ATOM 1375 C GLY A 104 -6.250 3.784 8.324 1.00 0.00 C ATOM 1376 O GLY A 104 -5.746 3.864 9.444 1.00 0.00 O ATOM 0 H GLY A 104 -5.825 6.338 9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.639 5.261 7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.382 4.872 6.489 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.540 2.602 7.759 1.00 0.00 N ATOM 1381 CA PRO A 105 -6.262 1.324 8.417 1.00 0.00 C ATOM 1382 C PRO A 105 -4.763 1.088 8.588 1.00 0.00 C ATOM 1383 O PRO A 105 -3.950 1.638 7.840 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.866 0.276 7.468 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.743 1.037 6.530 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.155 2.417 6.436 1.00 0.00 C ATOM 0 HA PRO A 105 -6.682 1.285 9.422 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.085 -0.258 6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.438 -0.469 8.021 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.774 0.559 5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.768 1.074 6.899 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.420 2.489 5.635 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.919 3.169 6.237 1.00 0.00 H new ATOM 1394 N GLU A 106 -4.403 0.291 9.582 1.00 0.00 N ATOM 1395 CA GLU A 106 -3.007 -0.019 9.842 1.00 0.00 C ATOM 1396 C GLU A 106 -2.460 -0.941 8.757 1.00 0.00 C ATOM 1397 O GLU A 106 -3.127 -1.895 8.340 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.860 -0.673 11.217 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.470 -0.528 11.818 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.348 -1.204 13.166 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.026 -2.410 13.203 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -1.581 -0.537 14.197 1.00 0.00 O ATOM 0 H GLU A 106 -5.060 -0.153 10.223 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.434 0.908 9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.588 -0.233 11.898 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.101 -1.733 11.133 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.736 -0.954 11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.232 0.530 11.923 1.00 0.00 H new ATOM 1409 N GLY A 107 -1.253 -0.644 8.300 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.627 -1.448 7.272 1.00 0.00 C ATOM 1411 C GLY A 107 -0.193 -2.805 7.790 1.00 0.00 C ATOM 1412 O GLY A 107 -0.004 -2.990 8.996 1.00 0.00 O ATOM 0 H GLY A 107 -0.693 0.144 8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.323 -1.583 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.239 -0.918 6.876 1.00 0.00 H new ATOM 1416 N VAL A 108 -0.049 -3.756 6.885 1.00 0.00 N ATOM 1417 CA VAL A 108 0.358 -5.104 7.248 1.00 0.00 C ATOM 1418 C VAL A 108 1.597 -5.509 6.463 1.00 0.00 C ATOM 1419 O VAL A 108 1.674 -5.277 5.253 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.770 -6.126 6.977 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.362 -7.522 7.418 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -2.058 -5.715 7.677 1.00 0.00 C ATOM 0 H VAL A 108 -0.209 -3.620 5.887 1.00 0.00 H new ATOM 0 HA VAL A 108 0.579 -5.104 8.315 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.947 -6.140 5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.175 -8.220 7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.527 -7.832 6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.146 -7.517 8.486 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.835 -6.451 7.470 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.887 -5.661 8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.376 -4.739 7.311 1.00 0.00 H new ATOM 1432 N ALA A 109 2.567 -6.089 7.154 1.00 0.00 N ATOM 1433 CA ALA A 109 3.798 -6.531 6.522 1.00 0.00 C ATOM 1434 C ALA A 109 3.625 -7.922 5.937 1.00 0.00 C ATOM 1435 O ALA A 109 2.863 -8.734 6.463 1.00 0.00 O ATOM 1436 CB ALA A 109 4.947 -6.509 7.517 1.00 0.00 C ATOM 0 H ALA A 109 2.523 -6.265 8.158 1.00 0.00 H new ATOM 0 HA ALA A 109 4.035 -5.843 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.861 -6.843 7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.086 -5.494 7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.719 -7.174 8.350 1.00 0.00 H new ATOM 1442 N ILE A 110 4.314 -8.188 4.841 1.00 0.00 N ATOM 1443 CA ILE A 110 4.240 -9.480 4.187 1.00 0.00 C ATOM 1444 C ILE A 110 5.625 -10.109 4.153 1.00 0.00 C ATOM 1445 O ILE A 110 6.616 -9.453 4.479 1.00 0.00 O ATOM 1446 CB ILE A 110 3.686 -9.369 2.748 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.665 -8.612 1.851 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.327 -8.680 2.750 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.368 -8.764 0.376 1.00 0.00 C ATOM 0 H ILE A 110 4.935 -7.520 4.384 1.00 0.00 H new ATOM 0 HA ILE A 110 3.554 -10.105 4.758 1.00 0.00 H new ATOM 0 HB ILE A 110 3.563 -10.377 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.642 -7.554 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.676 -8.967 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.953 -8.611 1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.627 -9.257 3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.427 -7.678 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.101 -8.201 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.420 -9.817 0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.369 -8.383 0.165 1.00 0.00 H new ATOM 1461 N SER A 111 5.701 -11.372 3.778 1.00 0.00 N ATOM 1462 CA SER A 111 6.981 -12.061 3.715 1.00 0.00 C ATOM 1463 C SER A 111 6.946 -13.172 2.672 1.00 0.00 C ATOM 1464 O SER A 111 5.993 -13.955 2.612 1.00 0.00 O ATOM 1465 CB SER A 111 7.331 -12.636 5.089 1.00 0.00 C ATOM 1466 OG SER A 111 7.389 -11.613 6.074 1.00 0.00 O ATOM 0 H SER A 111 4.897 -11.941 3.513 1.00 0.00 H new ATOM 0 HA SER A 111 7.747 -11.343 3.423 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.587 -13.379 5.376 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.291 -13.150 5.037 1.00 0.00 H new ATOM 0 HG SER A 111 7.613 -12.008 6.943 1.00 0.00 H new ATOM 1472 N PHE A 112 7.985 -13.231 1.852 1.00 0.00 N ATOM 1473 CA PHE A 112 8.077 -14.242 0.810 1.00 0.00 C ATOM 1474 C PHE A 112 8.644 -15.541 1.374 1.00 0.00 C ATOM 1475 O PHE A 112 9.298 -15.543 2.422 1.00 0.00 O ATOM 1476 CB PHE A 112 8.947 -13.736 -0.348 1.00 0.00 C ATOM 1477 CG PHE A 112 8.429 -12.472 -0.977 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.163 -12.433 -1.534 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.207 -11.324 -1.009 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.680 -11.275 -2.111 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.729 -10.163 -1.586 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.463 -10.140 -2.138 1.00 0.00 C ATOM 0 H PHE A 112 8.777 -12.589 1.889 1.00 0.00 H new ATOM 0 HA PHE A 112 7.075 -14.440 0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.959 -13.563 0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 112 9.011 -14.512 -1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.545 -13.319 -1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.197 -11.338 -0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.689 -11.258 -2.541 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.344 -9.275 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.087 -9.234 -2.590 1.00 0.00 H new ATOM 1492 N ASN A 113 8.376 -16.644 0.686 1.00 0.00 N ATOM 1493 CA ASN A 113 8.861 -17.956 1.115 1.00 0.00 C ATOM 1494 C ASN A 113 10.358 -18.084 0.870 1.00 0.00 C ATOM 1495 O ASN A 113 10.984 -18.993 1.455 1.00 0.00 O ATOM 1496 CB ASN A 113 8.122 -19.086 0.386 1.00 0.00 C ATOM 1497 CG ASN A 113 8.313 -19.049 -1.119 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.366 -18.444 -1.819 1.00 0.00 O flip ATOM 1499 ND2 ASN A 113 9.294 -19.574 -1.652 1.00 0.00 N flip ATOM 1500 OXT ASN A 113 10.909 -17.272 0.100 1.00 0.00 O ATOM 0 H ASN A 113 7.825 -16.659 -0.172 1.00 0.00 H new ATOM 0 HA ASN A 113 8.665 -18.044 2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.472 -20.046 0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.058 -19.022 0.613 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.003 -20.031 -1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 113 9.396 -19.551 -2.667 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 3.517 6.081 4.076 1.00 20.00 O HETATM 1509 C8A FLN A 114 3.873 7.321 3.557 1.00 20.00 C HETATM 1510 C4A FLN A 114 4.295 7.478 2.225 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.359 6.276 1.350 1.00 20.00 C HETATM 1512 C3 FLN A 114 3.973 5.006 1.966 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.578 4.945 3.267 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.135 3.767 4.104 1.00 20.00 C HETATM 1515 C2' FLN A 114 2.086 3.899 5.022 1.00 20.00 C HETATM 1516 C3' FLN A 114 1.689 2.802 5.787 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.295 1.542 5.679 1.00 20.00 C HETATM 1518 C5' FLN A 114 3.341 1.453 4.748 1.00 20.00 C HETATM 1519 C6' FLN A 114 3.760 2.530 3.972 1.00 20.00 C HETATM 1520 O4 FLN A 114 4.725 6.357 0.172 1.00 20.00 O HETATM 1521 C5 FLN A 114 4.641 8.770 1.759 1.00 20.00 C HETATM 1522 C6 FLN A 114 4.560 9.871 2.629 1.00 20.00 C HETATM 1523 C7 FLN A 114 4.132 9.675 3.960 1.00 20.00 C HETATM 1524 C8 FLN A 114 3.790 8.406 4.426 1.00 20.00 C HETATM 0 H8 FLN A 114 3.462 8.265 5.456 1.00 20.00 H new HETATM 0 H7 FLN A 114 4.068 10.529 4.634 1.00 20.00 H new HETATM 0 H6' FLN A 114 4.577 2.405 3.261 1.00 20.00 H new HETATM 0 H6 FLN A 114 4.826 10.868 2.279 1.00 20.00 H new HETATM 0 H5' FLN A 114 3.849 0.496 4.627 1.00 20.00 H new HETATM 0 H5 FLN A 114 4.969 8.910 0.729 1.00 20.00 H new HETATM 0 H4' FLN A 114 1.975 0.689 6.278 1.00 20.00 H new HETATM 0 H3' FLN A 114 0.873 2.930 6.499 1.00 20.00 H new HETATM 0 H3 FLN A 114 4.002 4.092 1.372 1.00 20.00 H new HETATM 0 H2' FLN A 114 1.580 4.858 5.139 1.00 20.00 H new