USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot -140:sc= -0.14 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.946 K(o=-1.1,f=-0.51) USER MOD Set 2.1: A 42 MET CE :methyl -120:sc= -9.34! (180deg=-3.82!) USER MOD Set 2.2: A 61 MET CE :methyl -134:sc= -8.48! (180deg=-4.55!) USER MOD Set 3.1: A 21 ASN : amide:sc= -1.29 K(o=-3.6,f=-2.4) USER MOD Set 3.2: A 60 GLN : amide:sc= -2.28 K(o=-3.6,f=-1.7) USER MOD Set 4.1: A 17 THR OG1 : rot 134:sc= -0.0983 USER MOD Set 4.2: A 64 THR OG1 : rot -150:sc= -0.0936 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -85:sc= 0.736 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc=-0.00358 X(o=-0.0036,f=-0.049) USER MOD Single : A 23 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00341 USER MOD Single : A 30 LYS NZ :NH3+ -135:sc= 0.00659 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.1!) USER MOD Single : A 39 THR OG1 : rot 96:sc= 0.521 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 44 THR OG1 : rot 98:sc= 1.03 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -1.22 USER MOD Single : A 50 THR OG1 : rot 44:sc= 0.225 USER MOD Single : A 57 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.7!) USER MOD Single : A 58 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.1!) USER MOD Single : A 70 SER OG : rot -170:sc= -0.126 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -111:sc= -1.61 (180deg=-4.38!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.109 USER MOD Single : A 94 SER OG : rot -69:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.337 11.457 -25.881 1.00 0.00 N ATOM 2 CA GLY A 1 -26.900 11.482 -24.541 1.00 0.00 C ATOM 3 C GLY A 1 -25.807 11.316 -23.484 1.00 0.00 C ATOM 4 O GLY A 1 -25.835 10.369 -22.700 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.099 11.571 -26.580 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.653 12.233 -25.985 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.856 10.548 -26.039 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.426 12.423 -24.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.636 10.685 -24.437 1.00 0.00 H new ATOM 8 N SER A 2 -24.870 12.253 -23.496 1.00 0.00 N ATOM 9 CA SER A 2 -23.769 12.222 -22.548 1.00 0.00 C ATOM 10 C SER A 2 -24.116 13.063 -21.317 1.00 0.00 C ATOM 11 O SER A 2 -24.006 14.288 -21.346 1.00 0.00 O ATOM 12 CB SER A 2 -22.476 12.728 -23.189 1.00 0.00 C ATOM 13 OG SER A 2 -21.848 11.728 -23.986 1.00 0.00 O ATOM 0 H SER A 2 -24.851 13.038 -24.147 1.00 0.00 H new ATOM 0 HA SER A 2 -23.610 11.188 -22.242 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.694 13.599 -23.806 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.788 13.054 -22.409 1.00 0.00 H new ATOM 0 HG SER A 2 -21.027 12.091 -24.379 1.00 0.00 H new ATOM 19 N SER A 3 -24.528 12.371 -20.265 1.00 0.00 N ATOM 20 CA SER A 3 -24.891 13.039 -19.026 1.00 0.00 C ATOM 21 C SER A 3 -23.684 13.094 -18.088 1.00 0.00 C ATOM 22 O SER A 3 -23.256 14.175 -17.685 1.00 0.00 O ATOM 23 CB SER A 3 -26.063 12.331 -18.342 1.00 0.00 C ATOM 24 OG SER A 3 -27.000 13.256 -17.797 1.00 0.00 O ATOM 0 H SER A 3 -24.619 11.355 -20.245 1.00 0.00 H new ATOM 0 HA SER A 3 -25.204 14.055 -19.264 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.567 11.686 -19.062 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.684 11.688 -17.548 1.00 0.00 H new ATOM 0 HG SER A 3 -27.734 12.766 -17.371 1.00 0.00 H new ATOM 30 N GLY A 4 -23.169 11.916 -17.768 1.00 0.00 N ATOM 31 CA GLY A 4 -22.019 11.817 -16.884 1.00 0.00 C ATOM 32 C GLY A 4 -20.854 12.661 -17.405 1.00 0.00 C ATOM 33 O GLY A 4 -20.377 13.561 -16.715 1.00 0.00 O ATOM 0 H GLY A 4 -23.526 11.022 -18.105 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.295 12.150 -15.883 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.709 10.775 -16.799 1.00 0.00 H new ATOM 37 N SER A 5 -20.428 12.339 -18.618 1.00 0.00 N ATOM 38 CA SER A 5 -19.327 13.056 -19.239 1.00 0.00 C ATOM 39 C SER A 5 -19.496 14.561 -19.026 1.00 0.00 C ATOM 40 O SER A 5 -18.624 15.213 -18.452 1.00 0.00 O ATOM 41 CB SER A 5 -19.236 12.738 -20.732 1.00 0.00 C ATOM 42 OG SER A 5 -18.445 11.579 -20.984 1.00 0.00 O ATOM 0 H SER A 5 -20.825 11.592 -19.187 1.00 0.00 H new ATOM 0 HA SER A 5 -18.399 12.731 -18.769 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.239 12.587 -21.132 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.808 13.591 -21.259 1.00 0.00 H new ATOM 0 HG SER A 5 -18.413 11.408 -21.948 1.00 0.00 H new ATOM 48 N SER A 6 -20.624 15.070 -19.499 1.00 0.00 N ATOM 49 CA SER A 6 -20.919 16.487 -19.367 1.00 0.00 C ATOM 50 C SER A 6 -20.585 16.962 -17.952 1.00 0.00 C ATOM 51 O SER A 6 -19.765 17.860 -17.772 1.00 0.00 O ATOM 52 CB SER A 6 -22.386 16.777 -19.692 1.00 0.00 C ATOM 53 OG SER A 6 -22.522 17.700 -20.770 1.00 0.00 O ATOM 0 H SER A 6 -21.345 14.527 -19.974 1.00 0.00 H new ATOM 0 HA SER A 6 -20.302 17.032 -20.081 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.892 15.846 -19.946 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.881 17.177 -18.807 1.00 0.00 H new ATOM 0 HG SER A 6 -23.473 17.858 -20.948 1.00 0.00 H new ATOM 59 N GLY A 7 -21.239 16.337 -16.983 1.00 0.00 N ATOM 60 CA GLY A 7 -21.021 16.685 -15.589 1.00 0.00 C ATOM 61 C GLY A 7 -19.528 16.801 -15.279 1.00 0.00 C ATOM 62 O GLY A 7 -19.033 17.889 -14.990 1.00 0.00 O ATOM 0 H GLY A 7 -21.919 15.592 -17.136 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.517 17.629 -15.365 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.471 15.928 -14.947 1.00 0.00 H new ATOM 66 N SER A 8 -18.851 15.664 -15.350 1.00 0.00 N ATOM 67 CA SER A 8 -17.424 15.624 -15.081 1.00 0.00 C ATOM 68 C SER A 8 -17.130 16.259 -13.720 1.00 0.00 C ATOM 69 O SER A 8 -16.866 17.457 -13.634 1.00 0.00 O ATOM 70 CB SER A 8 -16.636 16.338 -16.181 1.00 0.00 C ATOM 71 OG SER A 8 -15.767 15.449 -16.877 1.00 0.00 O ATOM 0 H SER A 8 -19.265 14.763 -15.590 1.00 0.00 H new ATOM 0 HA SER A 8 -17.108 14.581 -15.064 1.00 0.00 H new ATOM 0 HB2 SER A 8 -17.330 16.793 -16.887 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.052 17.147 -15.742 1.00 0.00 H new ATOM 0 HG SER A 8 -14.918 15.375 -16.393 1.00 0.00 H new ATOM 77 N SER A 9 -17.187 15.427 -12.690 1.00 0.00 N ATOM 78 CA SER A 9 -16.930 15.892 -11.338 1.00 0.00 C ATOM 79 C SER A 9 -15.446 16.226 -11.172 1.00 0.00 C ATOM 80 O SER A 9 -15.095 17.351 -10.822 1.00 0.00 O ATOM 81 CB SER A 9 -17.357 14.847 -10.305 1.00 0.00 C ATOM 82 OG SER A 9 -18.011 15.438 -9.186 1.00 0.00 O ATOM 0 H SER A 9 -17.407 14.434 -12.765 1.00 0.00 H new ATOM 0 HA SER A 9 -17.520 16.793 -11.169 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.024 14.125 -10.775 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.481 14.296 -9.963 1.00 0.00 H new ATOM 0 HG SER A 9 -18.269 14.738 -8.551 1.00 0.00 H new ATOM 88 N PHE A 10 -14.615 15.227 -11.431 1.00 0.00 N ATOM 89 CA PHE A 10 -13.177 15.400 -11.315 1.00 0.00 C ATOM 90 C PHE A 10 -12.811 16.068 -9.988 1.00 0.00 C ATOM 91 O PHE A 10 -12.822 17.293 -9.881 1.00 0.00 O ATOM 92 CB PHE A 10 -12.742 16.309 -12.467 1.00 0.00 C ATOM 93 CG PHE A 10 -12.325 15.555 -13.731 1.00 0.00 C ATOM 94 CD1 PHE A 10 -11.084 15.005 -13.817 1.00 0.00 C ATOM 95 CD2 PHE A 10 -13.196 15.434 -14.769 1.00 0.00 C ATOM 96 CE1 PHE A 10 -10.698 14.305 -14.990 1.00 0.00 C ATOM 97 CE2 PHE A 10 -12.809 14.734 -15.942 1.00 0.00 C ATOM 98 CZ PHE A 10 -11.568 14.184 -16.028 1.00 0.00 C ATOM 0 H PHE A 10 -14.910 14.295 -11.721 1.00 0.00 H new ATOM 0 HA PHE A 10 -12.681 14.430 -11.352 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -13.562 16.984 -12.713 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -11.909 16.927 -12.134 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.392 15.101 -12.993 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -14.182 15.870 -14.701 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.713 13.868 -15.058 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.500 14.638 -16.766 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.274 13.651 -16.920 1.00 0.00 H new ATOM 108 N GLN A 11 -12.495 15.232 -9.010 1.00 0.00 N ATOM 109 CA GLN A 11 -12.126 15.726 -7.694 1.00 0.00 C ATOM 110 C GLN A 11 -11.536 14.595 -6.849 1.00 0.00 C ATOM 111 O GLN A 11 -12.040 13.473 -6.868 1.00 0.00 O ATOM 112 CB GLN A 11 -13.325 16.366 -6.992 1.00 0.00 C ATOM 113 CG GLN A 11 -14.425 15.335 -6.736 1.00 0.00 C ATOM 114 CD GLN A 11 -14.780 15.270 -5.249 1.00 0.00 C ATOM 115 OE1 GLN A 11 -13.972 14.918 -4.406 1.00 0.00 O ATOM 116 NE2 GLN A 11 -16.032 15.629 -4.975 1.00 0.00 N ATOM 0 H GLN A 11 -12.487 14.216 -9.102 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.365 16.497 -7.817 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.006 16.805 -6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -13.718 17.178 -7.604 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.312 15.593 -7.314 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.096 14.354 -7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.658 15.913 -5.729 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.366 15.620 -4.011 1.00 0.00 H new ATOM 125 N GLY A 12 -10.476 14.929 -6.127 1.00 0.00 N ATOM 126 CA GLY A 12 -9.813 13.956 -5.276 1.00 0.00 C ATOM 127 C GLY A 12 -9.710 14.465 -3.837 1.00 0.00 C ATOM 128 O GLY A 12 -9.810 15.666 -3.591 1.00 0.00 O ATOM 0 H GLY A 12 -10.060 15.860 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.365 13.016 -5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.816 13.748 -5.664 1.00 0.00 H new ATOM 132 N PRO A 13 -9.505 13.501 -2.900 1.00 0.00 N ATOM 133 CA PRO A 13 -9.388 13.839 -1.492 1.00 0.00 C ATOM 134 C PRO A 13 -8.026 14.469 -1.191 1.00 0.00 C ATOM 135 O PRO A 13 -6.988 13.852 -1.423 1.00 0.00 O ATOM 136 CB PRO A 13 -9.613 12.530 -0.753 1.00 0.00 C ATOM 137 CG PRO A 13 -9.387 11.429 -1.776 1.00 0.00 C ATOM 138 CD PRO A 13 -9.381 12.069 -3.155 1.00 0.00 C ATOM 0 HA PRO A 13 -10.114 14.588 -1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.923 12.431 0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.622 12.481 -0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.442 10.920 -1.587 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.173 10.677 -1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.461 11.841 -3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.207 11.703 -3.765 1.00 0.00 H new ATOM 146 N LEU A 14 -8.075 15.690 -0.679 1.00 0.00 N ATOM 147 CA LEU A 14 -6.858 16.410 -0.345 1.00 0.00 C ATOM 148 C LEU A 14 -5.962 15.517 0.515 1.00 0.00 C ATOM 149 O LEU A 14 -4.782 15.341 0.213 1.00 0.00 O ATOM 150 CB LEU A 14 -7.193 17.754 0.307 1.00 0.00 C ATOM 151 CG LEU A 14 -7.541 18.895 -0.651 1.00 0.00 C ATOM 152 CD1 LEU A 14 -8.891 18.650 -1.327 1.00 0.00 C ATOM 153 CD2 LEU A 14 -7.496 20.246 0.067 1.00 0.00 C ATOM 0 H LEU A 14 -8.938 16.199 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.297 16.650 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.033 17.607 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.342 18.063 0.915 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.787 18.923 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.115 19.476 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.851 17.719 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.671 18.581 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.747 21.040 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.214 20.246 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.494 20.415 0.462 1.00 0.00 H new ATOM 165 N ASP A 15 -6.555 14.976 1.568 1.00 0.00 N ATOM 166 CA ASP A 15 -5.825 14.104 2.474 1.00 0.00 C ATOM 167 C ASP A 15 -4.909 13.186 1.662 1.00 0.00 C ATOM 168 O ASP A 15 -3.693 13.197 1.846 1.00 0.00 O ATOM 169 CB ASP A 15 -6.781 13.225 3.282 1.00 0.00 C ATOM 170 CG ASP A 15 -6.729 13.435 4.796 1.00 0.00 C ATOM 171 OD1 ASP A 15 -7.244 14.484 5.241 1.00 0.00 O ATOM 172 OD2 ASP A 15 -6.177 12.543 5.475 1.00 0.00 O ATOM 0 H ASP A 15 -7.533 15.124 1.815 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.249 14.730 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.799 13.411 2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.558 12.180 3.067 1.00 0.00 H new ATOM 177 N ALA A 16 -5.528 12.413 0.783 1.00 0.00 N ATOM 178 CA ALA A 16 -4.784 11.490 -0.057 1.00 0.00 C ATOM 179 C ALA A 16 -4.413 10.250 0.759 1.00 0.00 C ATOM 180 O ALA A 16 -3.282 9.771 0.688 1.00 0.00 O ATOM 181 CB ALA A 16 -3.555 12.199 -0.631 1.00 0.00 C ATOM 0 H ALA A 16 -6.537 12.407 0.634 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.394 11.161 -0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.997 11.507 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.874 13.055 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.918 12.541 0.185 1.00 0.00 H new ATOM 187 N THR A 17 -5.388 9.765 1.514 1.00 0.00 N ATOM 188 CA THR A 17 -5.178 8.590 2.343 1.00 0.00 C ATOM 189 C THR A 17 -5.731 7.343 1.649 1.00 0.00 C ATOM 190 O THR A 17 -6.813 7.381 1.066 1.00 0.00 O ATOM 191 CB THR A 17 -5.811 8.856 3.710 1.00 0.00 C ATOM 192 OG1 THR A 17 -5.135 10.017 4.185 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.463 7.776 4.736 1.00 0.00 C ATOM 0 H THR A 17 -6.325 10.164 1.569 1.00 0.00 H new ATOM 0 HA THR A 17 -4.116 8.396 2.493 1.00 0.00 H new ATOM 0 HB THR A 17 -6.894 8.919 3.603 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.789 10.651 4.547 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.937 8.013 5.689 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.822 6.809 4.383 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.382 7.735 4.869 1.00 0.00 H new ATOM 201 N VAL A 18 -4.963 6.267 1.736 1.00 0.00 N ATOM 202 CA VAL A 18 -5.362 5.011 1.125 1.00 0.00 C ATOM 203 C VAL A 18 -5.038 3.859 2.078 1.00 0.00 C ATOM 204 O VAL A 18 -4.006 3.873 2.746 1.00 0.00 O ATOM 205 CB VAL A 18 -4.696 4.860 -0.244 1.00 0.00 C ATOM 206 CG1 VAL A 18 -5.205 5.922 -1.222 1.00 0.00 C ATOM 207 CG2 VAL A 18 -3.172 4.913 -0.121 1.00 0.00 C ATOM 0 H VAL A 18 -4.066 6.239 2.221 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.438 4.996 0.951 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.966 3.882 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.716 5.792 -2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.283 5.817 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.979 6.914 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.723 4.803 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.875 5.870 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.831 4.104 0.525 1.00 0.00 H new ATOM 217 N VAL A 19 -5.939 2.888 2.109 1.00 0.00 N ATOM 218 CA VAL A 19 -5.762 1.730 2.969 1.00 0.00 C ATOM 219 C VAL A 19 -5.056 0.622 2.186 1.00 0.00 C ATOM 220 O VAL A 19 -5.529 0.205 1.129 1.00 0.00 O ATOM 221 CB VAL A 19 -7.112 1.291 3.541 1.00 0.00 C ATOM 222 CG1 VAL A 19 -6.940 0.127 4.518 1.00 0.00 C ATOM 223 CG2 VAL A 19 -7.832 2.465 4.207 1.00 0.00 C ATOM 0 H VAL A 19 -6.794 2.879 1.552 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.129 1.980 3.821 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.731 0.945 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.914 -0.166 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.488 -0.719 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.295 0.435 5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.789 2.127 4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.218 2.855 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.003 3.251 3.472 1.00 0.00 H new ATOM 233 N VAL A 20 -3.935 0.175 2.734 1.00 0.00 N ATOM 234 CA VAL A 20 -3.159 -0.877 2.100 1.00 0.00 C ATOM 235 C VAL A 20 -3.408 -2.198 2.829 1.00 0.00 C ATOM 236 O VAL A 20 -3.352 -2.254 4.057 1.00 0.00 O ATOM 237 CB VAL A 20 -1.681 -0.485 2.060 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.791 -1.717 1.886 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.415 0.543 0.958 1.00 0.00 C ATOM 0 H VAL A 20 -3.546 0.523 3.610 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.473 -1.013 1.065 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.432 -0.024 3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.255 -1.410 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.948 -2.400 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.044 -2.220 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.357 0.804 0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.690 0.120 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.008 1.438 1.144 1.00 0.00 H new ATOM 249 N ASN A 21 -3.677 -3.230 2.043 1.00 0.00 N ATOM 250 CA ASN A 21 -3.935 -4.548 2.598 1.00 0.00 C ATOM 251 C ASN A 21 -3.342 -5.612 1.672 1.00 0.00 C ATOM 252 O ASN A 21 -2.988 -5.319 0.531 1.00 0.00 O ATOM 253 CB ASN A 21 -5.437 -4.810 2.720 1.00 0.00 C ATOM 254 CG ASN A 21 -5.939 -4.480 4.127 1.00 0.00 C ATOM 255 OD1 ASN A 21 -5.281 -4.729 5.123 1.00 0.00 O ATOM 256 ND2 ASN A 21 -7.140 -3.908 4.152 1.00 0.00 N ATOM 0 H ASN A 21 -3.722 -3.180 1.025 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.480 -4.592 3.588 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.975 -4.208 1.988 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.647 -5.855 2.491 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.564 -3.650 5.043 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.637 -3.727 3.280 1.00 0.00 H new ATOM 263 N LEU A 22 -3.252 -6.824 2.198 1.00 0.00 N ATOM 264 CA LEU A 22 -2.709 -7.933 1.432 1.00 0.00 C ATOM 265 C LEU A 22 -3.857 -8.804 0.918 1.00 0.00 C ATOM 266 O LEU A 22 -4.931 -8.838 1.516 1.00 0.00 O ATOM 267 CB LEU A 22 -1.678 -8.702 2.262 1.00 0.00 C ATOM 268 CG LEU A 22 -0.322 -8.019 2.447 1.00 0.00 C ATOM 269 CD1 LEU A 22 0.668 -8.948 3.153 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.223 -7.510 1.111 1.00 0.00 C ATOM 0 H LEU A 22 -3.546 -7.063 3.145 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.172 -7.565 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.104 -8.893 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.513 -9.672 1.792 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.463 -7.150 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.624 -8.438 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.277 -9.219 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.809 -9.850 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.188 -7.029 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.345 -8.348 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.475 -6.790 0.684 1.00 0.00 H new ATOM 282 N GLN A 23 -3.591 -9.486 -0.186 1.00 0.00 N ATOM 283 CA GLN A 23 -4.589 -10.354 -0.788 1.00 0.00 C ATOM 284 C GLN A 23 -4.602 -11.714 -0.086 1.00 0.00 C ATOM 285 O GLN A 23 -5.643 -12.155 0.399 1.00 0.00 O ATOM 286 CB GLN A 23 -4.342 -10.515 -2.289 1.00 0.00 C ATOM 287 CG GLN A 23 -4.780 -9.264 -3.054 1.00 0.00 C ATOM 288 CD GLN A 23 -5.812 -9.612 -4.129 1.00 0.00 C ATOM 289 OE1 GLN A 23 -6.819 -10.253 -3.875 1.00 0.00 O ATOM 290 NE2 GLN A 23 -5.508 -9.153 -5.339 1.00 0.00 N ATOM 0 H GLN A 23 -2.699 -9.455 -0.680 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.568 -9.892 -0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.284 -10.704 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.888 -11.382 -2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.204 -8.538 -2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.912 -8.794 -3.517 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.648 -8.623 -5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.134 -9.331 -6.124 1.00 0.00 H new ATOM 299 N SER A 24 -3.435 -12.340 -0.055 1.00 0.00 N ATOM 300 CA SER A 24 -3.299 -13.640 0.579 1.00 0.00 C ATOM 301 C SER A 24 -2.111 -13.631 1.543 1.00 0.00 C ATOM 302 O SER A 24 -1.070 -14.219 1.256 1.00 0.00 O ATOM 303 CB SER A 24 -3.129 -14.746 -0.464 1.00 0.00 C ATOM 304 OG SER A 24 -4.361 -15.079 -1.096 1.00 0.00 O ATOM 0 H SER A 24 -2.574 -11.971 -0.459 1.00 0.00 H new ATOM 0 HA SER A 24 -4.211 -13.844 1.140 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.410 -14.425 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.715 -15.634 0.014 1.00 0.00 H new ATOM 0 HG SER A 24 -4.209 -15.787 -1.756 1.00 0.00 H new ATOM 310 N PRO A 25 -2.312 -12.939 2.696 1.00 0.00 N ATOM 311 CA PRO A 25 -1.269 -12.845 3.704 1.00 0.00 C ATOM 312 C PRO A 25 -1.133 -14.159 4.476 1.00 0.00 C ATOM 313 O PRO A 25 -2.088 -14.928 4.573 1.00 0.00 O ATOM 314 CB PRO A 25 -1.679 -11.678 4.587 1.00 0.00 C ATOM 315 CG PRO A 25 -3.160 -11.457 4.326 1.00 0.00 C ATOM 316 CD PRO A 25 -3.532 -12.229 3.070 1.00 0.00 C ATOM 0 HA PRO A 25 -0.282 -12.674 3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.497 -11.901 5.638 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.103 -10.785 4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.752 -11.800 5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.371 -10.395 4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.351 -12.922 3.260 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.859 -11.558 2.275 1.00 0.00 H new ATOM 324 N THR A 26 0.062 -14.377 5.004 1.00 0.00 N ATOM 325 CA THR A 26 0.336 -15.585 5.764 1.00 0.00 C ATOM 326 C THR A 26 0.062 -15.352 7.252 1.00 0.00 C ATOM 327 O THR A 26 -0.392 -14.278 7.642 1.00 0.00 O ATOM 328 CB THR A 26 1.775 -16.012 5.471 1.00 0.00 C ATOM 329 OG1 THR A 26 2.009 -15.555 4.142 1.00 0.00 O ATOM 330 CG2 THR A 26 1.927 -17.531 5.375 1.00 0.00 C ATOM 0 H THR A 26 0.852 -13.737 4.921 1.00 0.00 H new ATOM 0 HA THR A 26 -0.326 -16.398 5.467 1.00 0.00 H new ATOM 0 HB THR A 26 2.433 -15.630 6.252 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.921 -15.789 3.872 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.967 -17.780 5.166 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.627 -17.987 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.295 -17.910 4.572 1.00 0.00 H new ATOM 338 N LEU A 27 0.349 -16.378 8.040 1.00 0.00 N ATOM 339 CA LEU A 27 0.139 -16.299 9.476 1.00 0.00 C ATOM 340 C LEU A 27 0.941 -15.124 10.041 1.00 0.00 C ATOM 341 O LEU A 27 0.430 -14.351 10.849 1.00 0.00 O ATOM 342 CB LEU A 27 0.462 -17.639 10.139 1.00 0.00 C ATOM 343 CG LEU A 27 -0.690 -18.643 10.218 1.00 0.00 C ATOM 344 CD1 LEU A 27 -1.764 -18.169 11.200 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.267 -18.926 8.830 1.00 0.00 C ATOM 0 H LEU A 27 0.725 -17.268 7.712 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.910 -16.105 9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.285 -18.102 9.594 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.819 -17.445 11.151 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.297 -19.585 10.601 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.571 -18.900 11.237 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.327 -18.060 12.193 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.160 -17.208 10.870 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.084 -19.643 8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.641 -17.999 8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.488 -19.339 8.189 1.00 0.00 H new ATOM 357 N GLU A 28 2.184 -15.028 9.592 1.00 0.00 N ATOM 358 CA GLU A 28 3.061 -13.961 10.043 1.00 0.00 C ATOM 359 C GLU A 28 2.427 -12.597 9.761 1.00 0.00 C ATOM 360 O GLU A 28 2.661 -11.636 10.492 1.00 0.00 O ATOM 361 CB GLU A 28 4.439 -14.071 9.387 1.00 0.00 C ATOM 362 CG GLU A 28 4.314 -14.431 7.905 1.00 0.00 C ATOM 363 CD GLU A 28 5.545 -13.968 7.123 1.00 0.00 C ATOM 364 OE1 GLU A 28 6.138 -12.953 7.547 1.00 0.00 O ATOM 365 OE2 GLU A 28 5.865 -14.639 6.118 1.00 0.00 O ATOM 0 H GLU A 28 2.604 -15.671 8.921 1.00 0.00 H new ATOM 0 HA GLU A 28 3.198 -14.060 11.120 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.972 -13.126 9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.031 -14.829 9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.195 -15.509 7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.419 -13.968 7.489 1.00 0.00 H new ATOM 372 N GLU A 29 1.635 -12.557 8.699 1.00 0.00 N ATOM 373 CA GLU A 29 0.966 -11.327 8.311 1.00 0.00 C ATOM 374 C GLU A 29 -0.388 -11.215 9.015 1.00 0.00 C ATOM 375 O GLU A 29 -0.768 -10.137 9.470 1.00 0.00 O ATOM 376 CB GLU A 29 0.801 -11.248 6.792 1.00 0.00 C ATOM 377 CG GLU A 29 2.118 -10.855 6.118 1.00 0.00 C ATOM 378 CD GLU A 29 2.549 -11.913 5.100 1.00 0.00 C ATOM 379 OE1 GLU A 29 2.082 -11.814 3.945 1.00 0.00 O ATOM 380 OE2 GLU A 29 3.337 -12.798 5.501 1.00 0.00 O ATOM 0 H GLU A 29 1.442 -13.356 8.096 1.00 0.00 H new ATOM 0 HA GLU A 29 1.586 -10.486 8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.465 -12.211 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.029 -10.519 6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.003 -9.892 5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.895 -10.733 6.873 1.00 0.00 H new ATOM 387 N LYS A 30 -1.079 -12.344 9.084 1.00 0.00 N ATOM 388 CA LYS A 30 -2.382 -12.386 9.725 1.00 0.00 C ATOM 389 C LYS A 30 -2.255 -11.878 11.163 1.00 0.00 C ATOM 390 O LYS A 30 -3.242 -11.464 11.768 1.00 0.00 O ATOM 391 CB LYS A 30 -2.986 -13.787 9.619 1.00 0.00 C ATOM 392 CG LYS A 30 -4.307 -13.758 8.847 1.00 0.00 C ATOM 393 CD LYS A 30 -4.128 -14.312 7.432 1.00 0.00 C ATOM 394 CE LYS A 30 -5.424 -14.947 6.924 1.00 0.00 C ATOM 395 NZ LYS A 30 -5.157 -15.793 5.740 1.00 0.00 N ATOM 0 H LYS A 30 -0.761 -13.236 8.706 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.080 -11.724 9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.283 -14.453 9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.153 -14.191 10.617 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.056 -14.345 9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.680 -12.735 8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.824 -13.510 6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.329 -15.053 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.875 -15.548 7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.141 -14.168 6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.873 -15.604 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.213 -15.575 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.197 -16.796 6.014 1.00 0.00 H new ATOM 409 N ASN A 31 -1.031 -11.928 11.668 1.00 0.00 N ATOM 410 CA ASN A 31 -0.761 -11.478 13.023 1.00 0.00 C ATOM 411 C ASN A 31 -0.440 -9.983 13.005 1.00 0.00 C ATOM 412 O ASN A 31 -1.036 -9.207 13.750 1.00 0.00 O ATOM 413 CB ASN A 31 0.441 -12.213 13.618 1.00 0.00 C ATOM 414 CG ASN A 31 0.010 -13.525 14.278 1.00 0.00 C ATOM 415 OD1 ASN A 31 -1.162 -13.856 14.354 1.00 0.00 O ATOM 416 ND2 ASN A 31 1.020 -14.250 14.751 1.00 0.00 N ATOM 0 H ASN A 31 -0.215 -12.273 11.163 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.644 -11.682 13.628 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.170 -12.418 12.835 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.933 -11.577 14.353 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.836 -15.142 15.211 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.978 -13.914 14.654 1.00 0.00 H new ATOM 423 N GLU A 32 0.502 -9.623 12.146 1.00 0.00 N ATOM 424 CA GLU A 32 0.910 -8.234 12.021 1.00 0.00 C ATOM 425 C GLU A 32 1.692 -8.025 10.723 1.00 0.00 C ATOM 426 O GLU A 32 2.557 -8.829 10.379 1.00 0.00 O ATOM 427 CB GLU A 32 1.733 -7.793 13.234 1.00 0.00 C ATOM 428 CG GLU A 32 0.966 -6.771 14.075 1.00 0.00 C ATOM 429 CD GLU A 32 1.366 -6.863 15.549 1.00 0.00 C ATOM 430 OE1 GLU A 32 2.582 -7.008 15.799 1.00 0.00 O ATOM 431 OE2 GLU A 32 0.446 -6.786 16.392 1.00 0.00 O ATOM 0 H GLU A 32 0.995 -10.269 11.530 1.00 0.00 H new ATOM 0 HA GLU A 32 0.014 -7.614 11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.979 -8.661 13.846 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.676 -7.360 12.900 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.165 -5.766 13.703 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.106 -6.942 13.974 1.00 0.00 H new ATOM 438 N PHE A 33 1.360 -6.941 10.037 1.00 0.00 N ATOM 439 CA PHE A 33 2.020 -6.616 8.784 1.00 0.00 C ATOM 440 C PHE A 33 3.539 -6.738 8.917 1.00 0.00 C ATOM 441 O PHE A 33 4.119 -6.277 9.900 1.00 0.00 O ATOM 442 CB PHE A 33 1.663 -5.165 8.454 1.00 0.00 C ATOM 443 CG PHE A 33 1.824 -4.807 6.975 1.00 0.00 C ATOM 444 CD1 PHE A 33 0.785 -4.984 6.115 1.00 0.00 C ATOM 445 CD2 PHE A 33 3.006 -4.310 6.520 1.00 0.00 C ATOM 446 CE1 PHE A 33 0.934 -4.651 4.743 1.00 0.00 C ATOM 447 CE2 PHE A 33 3.155 -3.977 5.148 1.00 0.00 C ATOM 448 CZ PHE A 33 2.116 -4.155 4.288 1.00 0.00 C ATOM 0 H PHE A 33 0.642 -6.276 10.326 1.00 0.00 H new ATOM 0 HA PHE A 33 1.695 -7.303 8.003 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.631 -4.978 8.753 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.292 -4.502 9.049 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.154 -5.378 6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.831 -4.169 7.203 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.109 -4.791 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.093 -3.582 4.787 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.230 -3.903 3.244 1.00 0.00 H new ATOM 458 N PRO A 34 4.157 -7.376 7.888 1.00 0.00 N ATOM 459 CA PRO A 34 5.598 -7.564 7.881 1.00 0.00 C ATOM 460 C PRO A 34 6.320 -6.257 7.548 1.00 0.00 C ATOM 461 O PRO A 34 5.923 -5.540 6.631 1.00 0.00 O ATOM 462 CB PRO A 34 5.847 -8.657 6.855 1.00 0.00 C ATOM 463 CG PRO A 34 4.595 -8.715 5.994 1.00 0.00 C ATOM 464 CD PRO A 34 3.503 -7.934 6.708 1.00 0.00 C ATOM 0 HA PRO A 34 5.989 -7.854 8.856 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.726 -8.432 6.251 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.031 -9.615 7.342 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.788 -8.289 5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.286 -9.749 5.838 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.098 -7.148 6.071 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.671 -8.581 6.985 1.00 0.00 H new ATOM 472 N GLU A 35 7.367 -5.985 8.313 1.00 0.00 N ATOM 473 CA GLU A 35 8.148 -4.777 8.111 1.00 0.00 C ATOM 474 C GLU A 35 8.971 -4.885 6.825 1.00 0.00 C ATOM 475 O GLU A 35 9.276 -3.875 6.193 1.00 0.00 O ATOM 476 CB GLU A 35 9.048 -4.498 9.316 1.00 0.00 C ATOM 477 CG GLU A 35 9.990 -5.674 9.581 1.00 0.00 C ATOM 478 CD GLU A 35 11.452 -5.255 9.414 1.00 0.00 C ATOM 479 OE1 GLU A 35 11.866 -5.096 8.246 1.00 0.00 O ATOM 480 OE2 GLU A 35 12.122 -5.104 10.459 1.00 0.00 O ATOM 0 H GLU A 35 7.693 -6.581 9.074 1.00 0.00 H new ATOM 0 HA GLU A 35 7.461 -3.937 8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.630 -3.594 9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.434 -4.313 10.198 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.830 -6.052 10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.761 -6.489 8.895 1.00 0.00 H new ATOM 487 N ASP A 36 9.307 -6.118 6.478 1.00 0.00 N ATOM 488 CA ASP A 36 10.089 -6.371 5.279 1.00 0.00 C ATOM 489 C ASP A 36 9.232 -6.079 4.046 1.00 0.00 C ATOM 490 O ASP A 36 9.746 -6.012 2.930 1.00 0.00 O ATOM 491 CB ASP A 36 10.534 -7.833 5.210 1.00 0.00 C ATOM 492 CG ASP A 36 11.991 -8.047 4.797 1.00 0.00 C ATOM 493 OD1 ASP A 36 12.246 -8.007 3.574 1.00 0.00 O ATOM 494 OD2 ASP A 36 12.818 -8.245 5.713 1.00 0.00 O ATOM 0 H ASP A 36 9.052 -6.953 7.006 1.00 0.00 H new ATOM 0 HA ASP A 36 10.968 -5.728 5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.378 -8.291 6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.891 -8.360 4.505 1.00 0.00 H new ATOM 499 N LEU A 37 7.940 -5.914 4.288 1.00 0.00 N ATOM 500 CA LEU A 37 7.007 -5.630 3.211 1.00 0.00 C ATOM 501 C LEU A 37 6.804 -4.118 3.102 1.00 0.00 C ATOM 502 O LEU A 37 7.090 -3.523 2.064 1.00 0.00 O ATOM 503 CB LEU A 37 5.707 -6.412 3.409 1.00 0.00 C ATOM 504 CG LEU A 37 5.642 -7.786 2.739 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.207 -8.317 2.715 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.261 -7.744 1.340 1.00 0.00 C ATOM 0 H LEU A 37 7.517 -5.972 5.214 1.00 0.00 H new ATOM 0 HA LEU A 37 7.413 -5.967 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.545 -6.543 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.882 -5.807 3.033 1.00 0.00 H new ATOM 0 HG LEU A 37 6.234 -8.483 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.189 -9.295 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.836 -8.408 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.573 -7.627 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.202 -8.733 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.717 -7.029 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.305 -7.440 1.413 1.00 0.00 H new ATOM 518 N ARG A 38 6.313 -3.539 4.188 1.00 0.00 N ATOM 519 CA ARG A 38 6.069 -2.107 4.227 1.00 0.00 C ATOM 520 C ARG A 38 7.311 -1.344 3.763 1.00 0.00 C ATOM 521 O ARG A 38 7.230 -0.508 2.864 1.00 0.00 O ATOM 522 CB ARG A 38 5.696 -1.651 5.639 1.00 0.00 C ATOM 523 CG ARG A 38 6.791 -2.023 6.642 1.00 0.00 C ATOM 524 CD ARG A 38 6.241 -2.046 8.070 1.00 0.00 C ATOM 525 NE ARG A 38 7.341 -1.844 9.039 1.00 0.00 N ATOM 526 CZ ARG A 38 7.282 -2.205 10.328 1.00 0.00 C ATOM 527 NH1 ARG A 38 6.176 -2.789 10.811 1.00 0.00 N ATOM 528 NH2 ARG A 38 8.328 -1.982 11.135 1.00 0.00 N ATOM 0 H ARG A 38 6.078 -4.035 5.047 1.00 0.00 H new ATOM 0 HA ARG A 38 5.236 -1.894 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.541 -0.572 5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.754 -2.111 5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.202 -3.001 6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.609 -1.306 6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.490 -1.265 8.192 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.746 -2.998 8.263 1.00 0.00 H new ATOM 0 HE ARG A 38 8.198 -1.402 8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.379 -2.959 10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.131 -3.064 11.792 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.169 -1.537 10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.283 -2.257 12.116 1.00 0.00 H new ATOM 542 N THR A 39 8.431 -1.659 4.396 1.00 0.00 N ATOM 543 CA THR A 39 9.688 -1.014 4.058 1.00 0.00 C ATOM 544 C THR A 39 9.871 -0.962 2.540 1.00 0.00 C ATOM 545 O THR A 39 10.587 -0.105 2.026 1.00 0.00 O ATOM 546 CB THR A 39 10.812 -1.760 4.781 1.00 0.00 C ATOM 547 OG1 THR A 39 10.639 -1.407 6.150 1.00 0.00 O ATOM 548 CG2 THR A 39 12.197 -1.216 4.428 1.00 0.00 C ATOM 0 H THR A 39 8.494 -2.353 5.141 1.00 0.00 H new ATOM 0 HA THR A 39 9.701 0.024 4.390 1.00 0.00 H new ATOM 0 HB THR A 39 10.764 -2.820 4.530 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.117 -2.101 6.603 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.958 -1.780 4.968 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.364 -1.315 3.355 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.257 -0.165 4.709 1.00 0.00 H new ATOM 556 N GLU A 40 9.211 -1.892 1.865 1.00 0.00 N ATOM 557 CA GLU A 40 9.291 -1.963 0.416 1.00 0.00 C ATOM 558 C GLU A 40 8.134 -1.189 -0.219 1.00 0.00 C ATOM 559 O GLU A 40 8.278 -0.630 -1.305 1.00 0.00 O ATOM 560 CB GLU A 40 9.305 -3.417 -0.061 1.00 0.00 C ATOM 561 CG GLU A 40 10.628 -3.754 -0.752 1.00 0.00 C ATOM 562 CD GLU A 40 11.710 -4.099 0.274 1.00 0.00 C ATOM 563 OE1 GLU A 40 11.793 -3.364 1.281 1.00 0.00 O ATOM 564 OE2 GLU A 40 12.429 -5.092 0.027 1.00 0.00 O ATOM 0 H GLU A 40 8.619 -2.602 2.295 1.00 0.00 H new ATOM 0 HA GLU A 40 10.227 -1.502 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.154 -4.084 0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.477 -3.586 -0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.484 -4.595 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.952 -2.907 -1.357 1.00 0.00 H new ATOM 571 N LEU A 41 7.012 -1.181 0.486 1.00 0.00 N ATOM 572 CA LEU A 41 5.831 -0.484 0.005 1.00 0.00 C ATOM 573 C LEU A 41 5.984 1.014 0.273 1.00 0.00 C ATOM 574 O LEU A 41 5.750 1.834 -0.614 1.00 0.00 O ATOM 575 CB LEU A 41 4.566 -1.092 0.614 1.00 0.00 C ATOM 576 CG LEU A 41 3.621 -1.794 -0.364 1.00 0.00 C ATOM 577 CD1 LEU A 41 4.131 -3.195 -0.707 1.00 0.00 C ATOM 578 CD2 LEU A 41 2.191 -1.821 0.179 1.00 0.00 C ATOM 0 H LEU A 41 6.896 -1.646 1.386 1.00 0.00 H new ATOM 0 HA LEU A 41 5.729 -0.606 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.864 -1.809 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.012 -0.300 1.118 1.00 0.00 H new ATOM 0 HG LEU A 41 3.602 -1.222 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.442 -3.673 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.117 -3.121 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.198 -3.791 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.540 -2.325 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.172 -2.357 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.840 -0.800 0.332 1.00 0.00 H new ATOM 590 N MET A 42 6.375 1.327 1.499 1.00 0.00 N ATOM 591 CA MET A 42 6.561 2.713 1.895 1.00 0.00 C ATOM 592 C MET A 42 7.348 3.485 0.834 1.00 0.00 C ATOM 593 O MET A 42 6.943 4.571 0.423 1.00 0.00 O ATOM 594 CB MET A 42 7.311 2.767 3.227 1.00 0.00 C ATOM 595 CG MET A 42 6.507 2.087 4.337 1.00 0.00 C ATOM 596 SD MET A 42 4.900 2.850 4.483 1.00 0.00 S ATOM 597 CE MET A 42 3.856 1.434 4.183 1.00 0.00 C ATOM 0 H MET A 42 6.568 0.645 2.232 1.00 0.00 H new ATOM 0 HA MET A 42 5.580 3.176 2.001 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.280 2.278 3.123 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.505 3.805 3.497 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.396 1.025 4.118 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.042 2.163 5.284 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.233 1.620 3.308 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.476 0.555 4.006 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.220 1.260 5.051 1.00 0.00 H new ATOM 607 N GLN A 43 8.459 2.893 0.420 1.00 0.00 N ATOM 608 CA GLN A 43 9.306 3.511 -0.585 1.00 0.00 C ATOM 609 C GLN A 43 8.678 3.364 -1.973 1.00 0.00 C ATOM 610 O GLN A 43 8.589 4.334 -2.724 1.00 0.00 O ATOM 611 CB GLN A 43 10.716 2.917 -0.556 1.00 0.00 C ATOM 612 CG GLN A 43 10.699 1.446 -0.976 1.00 0.00 C ATOM 613 CD GLN A 43 12.063 0.793 -0.743 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.808 1.154 0.154 1.00 0.00 O ATOM 615 NE2 GLN A 43 12.348 -0.185 -1.597 1.00 0.00 N ATOM 0 H GLN A 43 8.792 1.992 0.763 1.00 0.00 H new ATOM 0 HA GLN A 43 9.390 4.573 -0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.367 3.482 -1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.132 3.008 0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.935 0.912 -0.411 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.430 1.368 -2.029 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.680 -0.437 -2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.235 -0.683 -1.524 1.00 0.00 H new ATOM 624 N THR A 44 8.259 2.143 -2.271 1.00 0.00 N ATOM 625 CA THR A 44 7.641 1.857 -3.554 1.00 0.00 C ATOM 626 C THR A 44 6.473 2.811 -3.809 1.00 0.00 C ATOM 627 O THR A 44 6.523 3.628 -4.728 1.00 0.00 O ATOM 628 CB THR A 44 7.234 0.382 -3.564 1.00 0.00 C ATOM 629 OG1 THR A 44 8.471 -0.319 -3.668 1.00 0.00 O ATOM 630 CG2 THR A 44 6.477 -0.008 -4.836 1.00 0.00 C ATOM 0 H THR A 44 8.335 1.341 -1.646 1.00 0.00 H new ATOM 0 HA THR A 44 8.339 2.023 -4.375 1.00 0.00 H new ATOM 0 HB THR A 44 6.614 0.171 -2.693 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.752 -0.621 -2.779 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.212 -1.064 -4.792 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.570 0.591 -4.918 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.110 0.171 -5.705 1.00 0.00 H new ATOM 638 N LEU A 45 5.449 2.676 -2.980 1.00 0.00 N ATOM 639 CA LEU A 45 4.270 3.517 -3.104 1.00 0.00 C ATOM 640 C LEU A 45 4.699 4.984 -3.159 1.00 0.00 C ATOM 641 O LEU A 45 4.088 5.787 -3.863 1.00 0.00 O ATOM 642 CB LEU A 45 3.272 3.209 -1.986 1.00 0.00 C ATOM 643 CG LEU A 45 2.902 1.735 -1.804 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.929 1.554 -0.638 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.354 1.144 -3.105 1.00 0.00 C ATOM 0 H LEU A 45 5.411 1.997 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 45 3.746 3.303 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.684 3.578 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.358 3.772 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 45 3.808 1.183 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.682 0.498 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.391 1.914 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.019 2.121 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.099 0.096 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.463 1.694 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.110 1.221 -3.886 1.00 0.00 H new ATOM 657 N GLY A 46 5.745 5.291 -2.406 1.00 0.00 N ATOM 658 CA GLY A 46 6.262 6.648 -2.360 1.00 0.00 C ATOM 659 C GLY A 46 6.647 7.135 -3.758 1.00 0.00 C ATOM 660 O GLY A 46 6.206 8.199 -4.191 1.00 0.00 O ATOM 0 H GLY A 46 6.249 4.623 -1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.511 7.313 -1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.132 6.688 -1.705 1.00 0.00 H new ATOM 664 N SER A 47 7.465 6.335 -4.425 1.00 0.00 N ATOM 665 CA SER A 47 7.914 6.672 -5.765 1.00 0.00 C ATOM 666 C SER A 47 6.772 7.316 -6.553 1.00 0.00 C ATOM 667 O SER A 47 6.864 8.477 -6.948 1.00 0.00 O ATOM 668 CB SER A 47 8.434 5.434 -6.499 1.00 0.00 C ATOM 669 OG SER A 47 9.777 5.124 -6.138 1.00 0.00 O ATOM 0 H SER A 47 7.829 5.454 -4.062 1.00 0.00 H new ATOM 0 HA SER A 47 8.736 7.384 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.792 4.582 -6.273 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.377 5.600 -7.575 1.00 0.00 H new ATOM 0 HG SER A 47 10.071 4.327 -6.626 1.00 0.00 H new ATOM 675 N TYR A 48 5.722 6.534 -6.758 1.00 0.00 N ATOM 676 CA TYR A 48 4.564 7.014 -7.492 1.00 0.00 C ATOM 677 C TYR A 48 4.281 8.483 -7.171 1.00 0.00 C ATOM 678 O TYR A 48 4.166 9.309 -8.075 1.00 0.00 O ATOM 679 CB TYR A 48 3.383 6.164 -7.018 1.00 0.00 C ATOM 680 CG TYR A 48 3.490 4.685 -7.393 1.00 0.00 C ATOM 681 CD1 TYR A 48 4.151 3.807 -6.558 1.00 0.00 C ATOM 682 CD2 TYR A 48 2.926 4.229 -8.568 1.00 0.00 C ATOM 683 CE1 TYR A 48 4.251 2.415 -6.912 1.00 0.00 C ATOM 684 CE2 TYR A 48 3.027 2.837 -8.921 1.00 0.00 C ATOM 685 CZ TYR A 48 3.685 1.998 -8.076 1.00 0.00 C ATOM 686 OH TYR A 48 3.780 0.683 -8.410 1.00 0.00 O ATOM 0 H TYR A 48 5.649 5.571 -6.428 1.00 0.00 H new ATOM 0 HA TYR A 48 4.731 6.936 -8.566 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.300 6.248 -5.934 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.464 6.570 -7.441 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.593 4.164 -5.640 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.409 4.916 -9.222 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.764 1.717 -6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.590 2.467 -9.837 1.00 0.00 H new ATOM 0 HH TYR A 48 3.818 0.140 -7.595 1.00 0.00 H new ATOM 696 N GLY A 49 4.177 8.764 -5.880 1.00 0.00 N ATOM 697 CA GLY A 49 3.910 10.119 -5.428 1.00 0.00 C ATOM 698 C GLY A 49 4.901 10.540 -4.341 1.00 0.00 C ATOM 699 O GLY A 49 6.108 10.575 -4.576 1.00 0.00 O ATOM 0 H GLY A 49 4.273 8.076 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.976 10.807 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.893 10.184 -5.042 1.00 0.00 H new ATOM 703 N THR A 50 4.354 10.849 -3.175 1.00 0.00 N ATOM 704 CA THR A 50 5.175 11.266 -2.050 1.00 0.00 C ATOM 705 C THR A 50 4.489 10.913 -0.729 1.00 0.00 C ATOM 706 O THR A 50 3.360 11.331 -0.480 1.00 0.00 O ATOM 707 CB THR A 50 5.464 12.761 -2.204 1.00 0.00 C ATOM 708 OG1 THR A 50 6.810 12.808 -2.670 1.00 0.00 O ATOM 709 CG2 THR A 50 5.508 13.490 -0.860 1.00 0.00 C ATOM 0 H THR A 50 3.352 10.819 -2.984 1.00 0.00 H new ATOM 0 HA THR A 50 6.127 10.736 -2.037 1.00 0.00 H new ATOM 0 HB THR A 50 4.702 13.215 -2.838 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.937 12.135 -3.371 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.716 14.547 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.547 13.384 -0.357 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.292 13.059 -0.238 1.00 0.00 H new ATOM 717 N ILE A 51 5.201 10.146 0.083 1.00 0.00 N ATOM 718 CA ILE A 51 4.675 9.731 1.373 1.00 0.00 C ATOM 719 C ILE A 51 4.667 10.929 2.325 1.00 0.00 C ATOM 720 O ILE A 51 5.721 11.375 2.775 1.00 0.00 O ATOM 721 CB ILE A 51 5.453 8.527 1.907 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.177 7.279 1.066 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.156 8.295 3.390 1.00 0.00 C ATOM 724 CD1 ILE A 51 3.869 6.608 1.492 1.00 0.00 C ATOM 0 H ILE A 51 6.138 9.801 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 51 3.643 9.395 1.273 1.00 0.00 H new ATOM 0 HB ILE A 51 6.518 8.744 1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.124 7.551 0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.002 6.575 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.722 7.433 3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.444 9.178 3.961 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.090 8.109 3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.697 5.724 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.935 6.315 2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.042 7.307 1.362 1.00 0.00 H new ATOM 736 N VAL A 52 3.467 11.415 2.603 1.00 0.00 N ATOM 737 CA VAL A 52 3.308 12.553 3.493 1.00 0.00 C ATOM 738 C VAL A 52 3.051 12.050 4.915 1.00 0.00 C ATOM 739 O VAL A 52 3.141 12.816 5.873 1.00 0.00 O ATOM 740 CB VAL A 52 2.200 13.472 2.974 1.00 0.00 C ATOM 741 CG1 VAL A 52 2.467 13.889 1.526 1.00 0.00 C ATOM 742 CG2 VAL A 52 0.828 12.809 3.110 1.00 0.00 C ATOM 0 H VAL A 52 2.595 11.042 2.228 1.00 0.00 H new ATOM 0 HA VAL A 52 4.220 13.149 3.519 1.00 0.00 H new ATOM 0 HB VAL A 52 2.198 14.373 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.665 14.542 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.417 14.421 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.510 13.002 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.059 13.484 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.812 11.884 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.634 12.586 4.159 1.00 0.00 H new ATOM 752 N LEU A 53 2.736 10.767 5.007 1.00 0.00 N ATOM 753 CA LEU A 53 2.465 10.153 6.295 1.00 0.00 C ATOM 754 C LEU A 53 1.917 8.741 6.078 1.00 0.00 C ATOM 755 O LEU A 53 1.249 8.477 5.079 1.00 0.00 O ATOM 756 CB LEU A 53 1.547 11.047 7.132 1.00 0.00 C ATOM 757 CG LEU A 53 0.768 10.349 8.249 1.00 0.00 C ATOM 758 CD1 LEU A 53 -0.276 9.390 7.672 1.00 0.00 C ATOM 759 CD2 LEU A 53 1.715 9.646 9.223 1.00 0.00 C ATOM 0 H LEU A 53 2.662 10.135 4.210 1.00 0.00 H new ATOM 0 HA LEU A 53 3.386 10.053 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.150 11.839 7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.833 11.528 6.464 1.00 0.00 H new ATOM 0 HG LEU A 53 0.230 11.109 8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.816 8.907 8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.978 9.947 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.221 8.632 7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.135 9.158 10.006 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.300 8.899 8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.386 10.379 9.671 1.00 0.00 H new ATOM 771 N VAL A 54 2.220 7.870 7.030 1.00 0.00 N ATOM 772 CA VAL A 54 1.766 6.492 6.955 1.00 0.00 C ATOM 773 C VAL A 54 1.408 6.001 8.359 1.00 0.00 C ATOM 774 O VAL A 54 2.011 6.428 9.342 1.00 0.00 O ATOM 775 CB VAL A 54 2.828 5.628 6.272 1.00 0.00 C ATOM 776 CG1 VAL A 54 2.910 5.940 4.776 1.00 0.00 C ATOM 777 CG2 VAL A 54 4.192 5.801 6.944 1.00 0.00 C ATOM 0 H VAL A 54 2.774 8.092 7.857 1.00 0.00 H new ATOM 0 HA VAL A 54 0.865 6.419 6.345 1.00 0.00 H new ATOM 0 HB VAL A 54 2.531 4.585 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.672 5.312 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.945 5.741 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.171 6.989 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.928 5.176 6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.499 6.845 6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.122 5.505 7.991 1.00 0.00 H new ATOM 787 N ARG A 55 0.428 5.110 8.407 1.00 0.00 N ATOM 788 CA ARG A 55 -0.018 4.556 9.674 1.00 0.00 C ATOM 789 C ARG A 55 -0.177 3.038 9.563 1.00 0.00 C ATOM 790 O ARG A 55 -1.051 2.553 8.847 1.00 0.00 O ATOM 791 CB ARG A 55 -1.350 5.171 10.106 1.00 0.00 C ATOM 792 CG ARG A 55 -1.539 5.064 11.621 1.00 0.00 C ATOM 793 CD ARG A 55 -3.022 5.114 11.993 1.00 0.00 C ATOM 794 NE ARG A 55 -3.210 5.932 13.212 1.00 0.00 N ATOM 795 CZ ARG A 55 -3.314 7.268 13.211 1.00 0.00 C ATOM 796 NH1 ARG A 55 -3.249 7.944 12.056 1.00 0.00 N ATOM 797 NH2 ARG A 55 -3.483 7.928 14.365 1.00 0.00 N ATOM 0 H ARG A 55 -0.069 4.758 7.589 1.00 0.00 H new ATOM 0 HA ARG A 55 0.738 4.792 10.423 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.386 6.218 9.805 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.170 4.665 9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.101 4.133 11.981 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.009 5.878 12.116 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.598 5.536 11.169 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.398 4.105 12.161 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.264 5.449 14.109 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.120 7.442 11.178 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.328 8.961 12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.532 7.413 15.244 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.562 8.945 14.364 1.00 0.00 H new ATOM 811 N ILE A 56 0.682 2.331 10.283 1.00 0.00 N ATOM 812 CA ILE A 56 0.648 0.879 10.275 1.00 0.00 C ATOM 813 C ILE A 56 -0.293 0.389 11.377 1.00 0.00 C ATOM 814 O ILE A 56 -0.028 0.593 12.560 1.00 0.00 O ATOM 815 CB ILE A 56 2.064 0.309 10.377 1.00 0.00 C ATOM 816 CG1 ILE A 56 2.751 0.299 9.010 1.00 0.00 C ATOM 817 CG2 ILE A 56 2.052 -1.078 11.023 1.00 0.00 C ATOM 818 CD1 ILE A 56 2.163 -0.788 8.108 1.00 0.00 C ATOM 0 H ILE A 56 1.406 2.737 10.876 1.00 0.00 H new ATOM 0 HA ILE A 56 0.249 0.513 9.329 1.00 0.00 H new ATOM 0 HB ILE A 56 2.648 0.961 11.026 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.636 1.273 8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.820 0.131 9.138 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.071 -1.460 11.083 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.630 -1.009 12.026 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.446 -1.755 10.421 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.669 -0.773 7.143 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.302 -1.763 8.575 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.099 -0.603 7.962 1.00 0.00 H new ATOM 830 N ASN A 57 -1.373 -0.249 10.949 1.00 0.00 N ATOM 831 CA ASN A 57 -2.355 -0.770 11.884 1.00 0.00 C ATOM 832 C ASN A 57 -2.137 -2.274 12.061 1.00 0.00 C ATOM 833 O ASN A 57 -1.701 -2.955 11.134 1.00 0.00 O ATOM 834 CB ASN A 57 -3.778 -0.556 11.366 1.00 0.00 C ATOM 835 CG ASN A 57 -4.618 0.228 12.376 1.00 0.00 C ATOM 836 OD1 ASN A 57 -4.111 0.977 13.195 1.00 0.00 O ATOM 837 ND2 ASN A 57 -5.927 0.015 12.273 1.00 0.00 N ATOM 0 H ASN A 57 -1.589 -0.417 9.966 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.233 -0.242 12.829 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.747 -0.018 10.419 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.246 -1.521 11.170 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.572 0.492 12.903 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.285 -0.625 11.564 1.00 0.00 H new ATOM 844 N GLN A 58 -2.450 -2.749 13.257 1.00 0.00 N ATOM 845 CA GLN A 58 -2.295 -4.160 13.567 1.00 0.00 C ATOM 846 C GLN A 58 -2.343 -4.993 12.285 1.00 0.00 C ATOM 847 O GLN A 58 -1.408 -5.734 11.986 1.00 0.00 O ATOM 848 CB GLN A 58 -3.359 -4.623 14.563 1.00 0.00 C ATOM 849 CG GLN A 58 -2.836 -4.549 15.999 1.00 0.00 C ATOM 850 CD GLN A 58 -3.112 -5.853 16.751 1.00 0.00 C ATOM 851 OE1 GLN A 58 -3.126 -6.934 16.187 1.00 0.00 O ATOM 852 NE2 GLN A 58 -3.331 -5.690 18.053 1.00 0.00 N ATOM 0 H GLN A 58 -2.811 -2.181 14.024 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.321 -4.305 14.034 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.249 -4.002 14.464 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.657 -5.646 14.333 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.764 -4.350 15.990 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.310 -3.717 16.520 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.305 -4.756 18.462 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.525 -6.499 18.643 1.00 0.00 H new ATOM 861 N GLY A 59 -3.443 -4.843 11.561 1.00 0.00 N ATOM 862 CA GLY A 59 -3.626 -5.573 10.318 1.00 0.00 C ATOM 863 C GLY A 59 -4.078 -4.638 9.195 1.00 0.00 C ATOM 864 O GLY A 59 -5.070 -4.907 8.519 1.00 0.00 O ATOM 0 H GLY A 59 -4.216 -4.227 11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.692 -6.060 10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.366 -6.361 10.460 1.00 0.00 H new ATOM 868 N GLN A 60 -3.329 -3.558 9.030 1.00 0.00 N ATOM 869 CA GLN A 60 -3.640 -2.581 8.000 1.00 0.00 C ATOM 870 C GLN A 60 -2.471 -1.611 7.818 1.00 0.00 C ATOM 871 O GLN A 60 -1.541 -1.596 8.623 1.00 0.00 O ATOM 872 CB GLN A 60 -4.931 -1.829 8.330 1.00 0.00 C ATOM 873 CG GLN A 60 -5.617 -1.333 7.056 1.00 0.00 C ATOM 874 CD GLN A 60 -7.139 -1.435 7.178 1.00 0.00 C ATOM 875 OE1 GLN A 60 -7.836 -0.459 7.406 1.00 0.00 O ATOM 876 NE2 GLN A 60 -7.614 -2.666 7.014 1.00 0.00 N ATOM 0 H GLN A 60 -2.507 -3.338 9.592 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.797 -3.110 7.060 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.607 -2.484 8.880 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.707 -0.983 8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.332 -0.298 6.865 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.277 -1.920 6.203 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -6.975 -3.438 6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -8.617 -2.838 7.077 1.00 0.00 H new ATOM 885 N MET A 61 -2.557 -0.824 6.756 1.00 0.00 N ATOM 886 CA MET A 61 -1.518 0.147 6.458 1.00 0.00 C ATOM 887 C MET A 61 -2.096 1.364 5.731 1.00 0.00 C ATOM 888 O MET A 61 -2.261 1.342 4.513 1.00 0.00 O ATOM 889 CB MET A 61 -0.443 -0.505 5.586 1.00 0.00 C ATOM 890 CG MET A 61 0.620 0.513 5.172 1.00 0.00 C ATOM 891 SD MET A 61 1.106 0.234 3.477 1.00 0.00 S ATOM 892 CE MET A 61 2.439 -0.927 3.724 1.00 0.00 C ATOM 0 H MET A 61 -3.330 -0.839 6.091 1.00 0.00 H new ATOM 0 HA MET A 61 -1.081 0.482 7.399 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.026 -1.324 6.132 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.903 -0.937 4.697 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.230 1.525 5.285 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.488 0.431 5.826 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.294 -0.635 3.114 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.728 -0.931 4.775 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.111 -1.925 3.434 1.00 0.00 H new ATOM 902 N LEU A 62 -2.387 2.395 6.510 1.00 0.00 N ATOM 903 CA LEU A 62 -2.943 3.618 5.957 1.00 0.00 C ATOM 904 C LEU A 62 -1.811 4.477 5.391 1.00 0.00 C ATOM 905 O LEU A 62 -1.051 5.083 6.145 1.00 0.00 O ATOM 906 CB LEU A 62 -3.800 4.338 7.000 1.00 0.00 C ATOM 907 CG LEU A 62 -5.099 3.636 7.402 1.00 0.00 C ATOM 908 CD1 LEU A 62 -4.846 2.603 8.502 1.00 0.00 C ATOM 909 CD2 LEU A 62 -6.169 4.652 7.804 1.00 0.00 C ATOM 0 H LEU A 62 -2.248 2.409 7.520 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.615 3.391 5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.198 4.486 7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.049 5.327 6.616 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.478 3.096 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.785 2.119 8.769 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.141 1.854 8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.431 3.100 9.379 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.082 4.127 8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.813 5.240 8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.376 5.315 6.964 1.00 0.00 H new ATOM 921 N VAL A 63 -1.734 4.503 4.069 1.00 0.00 N ATOM 922 CA VAL A 63 -0.707 5.278 3.394 1.00 0.00 C ATOM 923 C VAL A 63 -1.301 6.612 2.934 1.00 0.00 C ATOM 924 O VAL A 63 -2.337 6.638 2.271 1.00 0.00 O ATOM 925 CB VAL A 63 -0.106 4.464 2.246 1.00 0.00 C ATOM 926 CG1 VAL A 63 0.863 5.313 1.421 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.580 3.201 2.771 1.00 0.00 C ATOM 0 H VAL A 63 -2.366 4.000 3.447 1.00 0.00 H new ATOM 0 HA VAL A 63 0.112 5.504 4.077 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.921 4.155 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.276 4.711 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.332 6.168 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.672 5.666 2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.999 2.640 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.379 3.480 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.149 2.582 3.294 1.00 0.00 H new ATOM 937 N THR A 64 -0.619 7.685 3.304 1.00 0.00 N ATOM 938 CA THR A 64 -1.066 9.019 2.938 1.00 0.00 C ATOM 939 C THR A 64 -0.102 9.646 1.929 1.00 0.00 C ATOM 940 O THR A 64 1.110 9.456 2.022 1.00 0.00 O ATOM 941 CB THR A 64 -1.218 9.836 4.223 1.00 0.00 C ATOM 942 OG1 THR A 64 -2.082 9.047 5.036 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.996 11.134 4.002 1.00 0.00 C ATOM 0 H THR A 64 0.240 7.659 3.853 1.00 0.00 H new ATOM 0 HA THR A 64 -2.035 8.989 2.439 1.00 0.00 H new ATOM 0 HB THR A 64 -0.232 10.068 4.625 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.606 9.633 5.621 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.075 11.676 4.945 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.473 11.752 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.995 10.901 3.632 1.00 0.00 H new ATOM 951 N PHE A 65 -0.676 10.381 0.989 1.00 0.00 N ATOM 952 CA PHE A 65 0.118 11.038 -0.036 1.00 0.00 C ATOM 953 C PHE A 65 -0.123 12.549 -0.032 1.00 0.00 C ATOM 954 O PHE A 65 -0.899 13.055 0.776 1.00 0.00 O ATOM 955 CB PHE A 65 -0.330 10.466 -1.383 1.00 0.00 C ATOM 956 CG PHE A 65 0.096 9.015 -1.615 1.00 0.00 C ATOM 957 CD1 PHE A 65 -0.676 7.997 -1.149 1.00 0.00 C ATOM 958 CD2 PHE A 65 1.246 8.743 -2.288 1.00 0.00 C ATOM 959 CE1 PHE A 65 -0.282 6.650 -1.364 1.00 0.00 C ATOM 960 CE2 PHE A 65 1.641 7.396 -2.503 1.00 0.00 C ATOM 961 CZ PHE A 65 0.869 6.378 -2.037 1.00 0.00 C ATOM 0 H PHE A 65 -1.681 10.537 0.915 1.00 0.00 H new ATOM 0 HA PHE A 65 1.179 10.866 0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.416 10.530 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.076 11.086 -2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.589 8.213 -0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.859 9.551 -2.659 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.895 5.842 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.555 7.180 -3.037 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.169 5.354 -2.201 1.00 0.00 H new ATOM 971 N ALA A 66 0.557 13.227 -0.945 1.00 0.00 N ATOM 972 CA ALA A 66 0.427 14.670 -1.057 1.00 0.00 C ATOM 973 C ALA A 66 -0.632 15.002 -2.110 1.00 0.00 C ATOM 974 O ALA A 66 -1.365 15.980 -1.971 1.00 0.00 O ATOM 975 CB ALA A 66 1.790 15.281 -1.387 1.00 0.00 C ATOM 0 H ALA A 66 1.200 12.804 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 66 0.097 15.101 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.693 16.363 -1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.498 15.041 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.152 14.875 -2.332 1.00 0.00 H new ATOM 981 N ASP A 67 -0.678 14.169 -3.139 1.00 0.00 N ATOM 982 CA ASP A 67 -1.635 14.362 -4.215 1.00 0.00 C ATOM 983 C ASP A 67 -2.627 13.197 -4.226 1.00 0.00 C ATOM 984 O ASP A 67 -2.391 12.171 -3.590 1.00 0.00 O ATOM 985 CB ASP A 67 -0.935 14.399 -5.575 1.00 0.00 C ATOM 986 CG ASP A 67 -1.279 15.608 -6.447 1.00 0.00 C ATOM 987 OD1 ASP A 67 -2.461 15.705 -6.842 1.00 0.00 O ATOM 988 OD2 ASP A 67 -0.352 16.408 -6.700 1.00 0.00 O ATOM 0 H ASP A 67 -0.068 13.359 -3.250 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.145 15.310 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.143 14.382 -5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.189 13.491 -6.122 1.00 0.00 H new ATOM 993 N SER A 68 -3.715 13.395 -4.954 1.00 0.00 N ATOM 994 CA SER A 68 -4.744 12.374 -5.055 1.00 0.00 C ATOM 995 C SER A 68 -4.454 11.455 -6.244 1.00 0.00 C ATOM 996 O SER A 68 -4.492 10.232 -6.112 1.00 0.00 O ATOM 997 CB SER A 68 -6.132 13.002 -5.196 1.00 0.00 C ATOM 998 OG SER A 68 -6.301 13.646 -6.456 1.00 0.00 O ATOM 0 H SER A 68 -3.907 14.248 -5.480 1.00 0.00 H new ATOM 0 HA SER A 68 -4.733 11.786 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.893 12.230 -5.078 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.286 13.726 -4.395 1.00 0.00 H new ATOM 0 HG SER A 68 -6.794 14.484 -6.332 1.00 0.00 H new ATOM 1004 N HIS A 69 -4.170 12.079 -7.378 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.873 11.332 -8.589 1.00 0.00 C ATOM 1006 C HIS A 69 -2.963 10.149 -8.252 1.00 0.00 C ATOM 1007 O HIS A 69 -3.246 9.015 -8.636 1.00 0.00 O ATOM 1008 CB HIS A 69 -3.282 12.250 -9.661 1.00 0.00 C ATOM 1009 CG HIS A 69 -3.931 13.611 -9.731 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -3.248 14.748 -10.125 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -5.207 14.005 -9.455 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -4.084 15.775 -10.083 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -5.298 15.312 -9.667 1.00 0.00 N ATOM 0 H HIS A 69 -4.139 13.093 -7.484 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.795 10.928 -9.008 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.217 12.377 -9.469 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.375 11.764 -10.632 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.008 13.362 -9.121 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.846 16.798 -10.334 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.137 15.877 -9.540 1.00 0.00 H new ATOM 1021 N SER A 70 -1.889 10.454 -7.540 1.00 0.00 N ATOM 1022 CA SER A 70 -0.936 9.430 -7.147 1.00 0.00 C ATOM 1023 C SER A 70 -1.677 8.170 -6.697 1.00 0.00 C ATOM 1024 O SER A 70 -1.542 7.113 -7.311 1.00 0.00 O ATOM 1025 CB SER A 70 -0.016 9.932 -6.032 1.00 0.00 C ATOM 1026 OG SER A 70 -0.737 10.622 -5.015 1.00 0.00 O ATOM 0 H SER A 70 -1.657 11.396 -7.225 1.00 0.00 H new ATOM 0 HA SER A 70 -0.317 9.190 -8.011 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.514 9.087 -5.591 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.738 10.595 -6.455 1.00 0.00 H new ATOM 0 HG SER A 70 -0.106 11.061 -4.407 1.00 0.00 H new ATOM 1032 N ALA A 71 -2.444 8.324 -5.628 1.00 0.00 N ATOM 1033 CA ALA A 71 -3.207 7.211 -5.088 1.00 0.00 C ATOM 1034 C ALA A 71 -3.836 6.423 -6.240 1.00 0.00 C ATOM 1035 O ALA A 71 -3.651 5.211 -6.341 1.00 0.00 O ATOM 1036 CB ALA A 71 -4.253 7.739 -4.104 1.00 0.00 C ATOM 0 H ALA A 71 -2.554 9.202 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.557 6.530 -4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.825 6.905 -3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.754 8.266 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.926 8.423 -4.621 1.00 0.00 H new ATOM 1042 N LEU A 72 -4.565 7.144 -7.079 1.00 0.00 N ATOM 1043 CA LEU A 72 -5.222 6.527 -8.219 1.00 0.00 C ATOM 1044 C LEU A 72 -4.287 5.487 -8.839 1.00 0.00 C ATOM 1045 O LEU A 72 -4.632 4.309 -8.923 1.00 0.00 O ATOM 1046 CB LEU A 72 -5.695 7.595 -9.207 1.00 0.00 C ATOM 1047 CG LEU A 72 -7.008 7.301 -9.935 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -7.325 8.394 -10.958 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -6.983 5.910 -10.571 1.00 0.00 C ATOM 0 H LEU A 72 -4.715 8.149 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.121 5.999 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.804 8.537 -8.669 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.914 7.743 -9.953 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.814 7.304 -9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.263 8.160 -11.461 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.415 9.354 -10.449 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.522 8.448 -11.694 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.928 5.727 -11.082 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.165 5.853 -11.289 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.838 5.158 -9.796 1.00 0.00 H new ATOM 1061 N SER A 73 -3.122 5.959 -9.257 1.00 0.00 N ATOM 1062 CA SER A 73 -2.135 5.085 -9.867 1.00 0.00 C ATOM 1063 C SER A 73 -1.788 3.941 -8.912 1.00 0.00 C ATOM 1064 O SER A 73 -1.670 2.791 -9.331 1.00 0.00 O ATOM 1065 CB SER A 73 -0.873 5.860 -10.248 1.00 0.00 C ATOM 1066 OG SER A 73 -0.731 5.989 -11.660 1.00 0.00 O ATOM 0 H SER A 73 -2.839 6.936 -9.185 1.00 0.00 H new ATOM 0 HA SER A 73 -2.563 4.671 -10.780 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.906 6.851 -9.795 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.001 5.352 -9.841 1.00 0.00 H new ATOM 0 HG SER A 73 0.086 6.491 -11.862 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.633 4.297 -7.645 1.00 0.00 N ATOM 1073 CA VAL A 74 -1.302 3.315 -6.627 1.00 0.00 C ATOM 1074 C VAL A 74 -2.486 2.366 -6.435 1.00 0.00 C ATOM 1075 O VAL A 74 -2.340 1.297 -5.843 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.886 4.021 -5.334 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.702 3.016 -4.196 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.382 4.850 -5.546 1.00 0.00 C ATOM 0 H VAL A 74 -1.731 5.252 -7.301 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.450 2.712 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.688 4.703 -5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.407 3.543 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.640 2.489 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.072 2.298 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.656 5.341 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.195 4.197 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.200 5.603 -6.312 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.632 2.789 -6.948 1.00 0.00 N ATOM 1089 CA LEU A 75 -4.841 1.990 -6.840 1.00 0.00 C ATOM 1090 C LEU A 75 -4.962 1.089 -8.071 1.00 0.00 C ATOM 1091 O LEU A 75 -5.435 -0.042 -7.973 1.00 0.00 O ATOM 1092 CB LEU A 75 -6.058 2.888 -6.613 1.00 0.00 C ATOM 1093 CG LEU A 75 -6.103 3.631 -5.276 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -7.208 4.690 -5.275 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -6.246 2.652 -4.109 1.00 0.00 C ATOM 0 H LEU A 75 -3.749 3.675 -7.440 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.790 1.336 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.097 3.624 -7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.957 2.277 -6.697 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.156 4.153 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.219 5.204 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.021 5.412 -6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.172 4.210 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.275 3.206 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.168 2.082 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.396 1.969 -4.101 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.527 1.625 -9.202 1.00 0.00 N ATOM 1108 CA ASP A 76 -4.581 0.883 -10.451 1.00 0.00 C ATOM 1109 C ASP A 76 -3.435 -0.130 -10.487 1.00 0.00 C ATOM 1110 O ASP A 76 -3.622 -1.268 -10.916 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.424 1.817 -11.653 1.00 0.00 C ATOM 1112 CG ASP A 76 -5.388 1.549 -12.810 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -5.102 0.608 -13.581 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -6.391 2.291 -12.896 1.00 0.00 O ATOM 0 H ASP A 76 -4.136 2.564 -9.280 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.548 0.384 -10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.561 2.844 -11.316 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.403 1.737 -12.025 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.275 0.319 -10.030 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.100 -0.535 -10.005 1.00 0.00 C ATOM 1121 C VAL A 77 -1.285 -1.618 -8.941 1.00 0.00 C ATOM 1122 O VAL A 77 -0.475 -2.539 -8.839 1.00 0.00 O ATOM 1123 CB VAL A 77 0.156 0.310 -9.786 1.00 0.00 C ATOM 1124 CG1 VAL A 77 0.196 0.875 -8.364 1.00 0.00 C ATOM 1125 CG2 VAL A 77 1.420 -0.496 -10.091 1.00 0.00 C ATOM 0 H VAL A 77 -2.124 1.263 -9.674 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.973 -1.039 -10.963 1.00 0.00 H new ATOM 0 HB VAL A 77 0.119 1.150 -10.480 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.099 1.472 -8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.680 1.502 -8.197 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.198 0.055 -7.646 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.298 0.129 -9.927 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.465 -1.365 -9.434 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.399 -0.827 -11.129 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.356 -1.473 -8.174 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.657 -2.428 -7.121 1.00 0.00 C ATOM 1137 C ASP A 78 -2.272 -3.833 -7.587 1.00 0.00 C ATOM 1138 O ASP A 78 -1.574 -4.557 -6.878 1.00 0.00 O ATOM 1139 CB ASP A 78 -4.151 -2.432 -6.792 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.571 -1.470 -5.680 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -3.769 -0.557 -5.386 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.685 -1.669 -5.148 1.00 0.00 O ATOM 0 H ASP A 78 -3.026 -0.709 -8.261 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.093 -2.140 -6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.707 -2.184 -7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.442 -3.443 -6.506 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.743 -4.178 -8.777 1.00 0.00 N ATOM 1148 CA GLY A 79 -2.456 -5.483 -9.346 1.00 0.00 C ATOM 1149 C GLY A 79 -1.039 -5.938 -8.990 1.00 0.00 C ATOM 1150 O GLY A 79 -0.792 -7.129 -8.813 1.00 0.00 O ATOM 0 H GLY A 79 -3.322 -3.576 -9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.179 -6.211 -8.978 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.567 -5.444 -10.430 1.00 0.00 H new ATOM 1154 N MET A 80 -0.146 -4.964 -8.896 1.00 0.00 N ATOM 1155 CA MET A 80 1.240 -5.248 -8.565 1.00 0.00 C ATOM 1156 C MET A 80 1.336 -6.355 -7.513 1.00 0.00 C ATOM 1157 O MET A 80 0.431 -6.520 -6.695 1.00 0.00 O ATOM 1158 CB MET A 80 1.909 -3.979 -8.033 1.00 0.00 C ATOM 1159 CG MET A 80 1.502 -3.711 -6.583 1.00 0.00 C ATOM 1160 SD MET A 80 1.039 -1.998 -6.385 1.00 0.00 S ATOM 1161 CE MET A 80 1.949 -1.601 -4.902 1.00 0.00 C ATOM 0 H MET A 80 -0.355 -3.977 -9.043 1.00 0.00 H new ATOM 0 HA MET A 80 1.748 -5.585 -9.469 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.992 -4.080 -8.097 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.631 -3.129 -8.656 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.668 -4.356 -6.306 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.328 -3.953 -5.914 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.252 -1.441 -4.079 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.619 -2.424 -4.655 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.533 -0.695 -5.065 1.00 0.00 H new ATOM 1171 N LYS A 81 2.440 -7.086 -7.568 1.00 0.00 N ATOM 1172 CA LYS A 81 2.666 -8.172 -6.630 1.00 0.00 C ATOM 1173 C LYS A 81 3.945 -7.897 -5.837 1.00 0.00 C ATOM 1174 O LYS A 81 5.006 -7.679 -6.419 1.00 0.00 O ATOM 1175 CB LYS A 81 2.671 -9.517 -7.360 1.00 0.00 C ATOM 1176 CG LYS A 81 1.246 -10.032 -7.570 1.00 0.00 C ATOM 1177 CD LYS A 81 1.133 -10.810 -8.883 1.00 0.00 C ATOM 1178 CE LYS A 81 0.273 -12.063 -8.706 1.00 0.00 C ATOM 1179 NZ LYS A 81 -1.163 -11.705 -8.671 1.00 0.00 N ATOM 0 H LYS A 81 3.188 -6.947 -8.248 1.00 0.00 H new ATOM 0 HA LYS A 81 1.850 -8.230 -5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.168 -9.410 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.244 -10.245 -6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.961 -10.674 -6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.550 -9.193 -7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.698 -10.172 -9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.127 -11.093 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.461 -12.759 -9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.549 -12.574 -7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.733 -12.567 -8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.340 -11.059 -7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.426 -11.238 -9.562 1.00 0.00 H new ATOM 1193 N VAL A 82 3.802 -7.917 -4.520 1.00 0.00 N ATOM 1194 CA VAL A 82 4.932 -7.673 -3.640 1.00 0.00 C ATOM 1195 C VAL A 82 5.337 -8.984 -2.962 1.00 0.00 C ATOM 1196 O VAL A 82 4.554 -9.567 -2.214 1.00 0.00 O ATOM 1197 CB VAL A 82 4.590 -6.565 -2.643 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.192 -6.768 -2.056 1.00 0.00 C ATOM 1199 CG2 VAL A 82 5.642 -6.479 -1.536 1.00 0.00 C ATOM 0 H VAL A 82 2.920 -8.099 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 82 5.792 -7.323 -4.211 1.00 0.00 H new ATOM 0 HB VAL A 82 4.593 -5.617 -3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.974 -5.967 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.455 -6.755 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.150 -7.727 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.374 -5.683 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.686 -7.428 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.616 -6.264 -1.976 1.00 0.00 H new ATOM 1209 N LYS A 83 6.560 -9.407 -3.247 1.00 0.00 N ATOM 1210 CA LYS A 83 7.079 -10.637 -2.673 1.00 0.00 C ATOM 1211 C LYS A 83 6.172 -11.803 -3.074 1.00 0.00 C ATOM 1212 O LYS A 83 5.963 -12.729 -2.291 1.00 0.00 O ATOM 1213 CB LYS A 83 7.258 -10.490 -1.161 1.00 0.00 C ATOM 1214 CG LYS A 83 8.322 -9.439 -0.836 1.00 0.00 C ATOM 1215 CD LYS A 83 9.310 -9.965 0.208 1.00 0.00 C ATOM 1216 CE LYS A 83 8.596 -10.300 1.519 1.00 0.00 C ATOM 1217 NZ LYS A 83 9.234 -11.464 2.174 1.00 0.00 N ATOM 0 H LYS A 83 7.206 -8.920 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 83 8.072 -10.853 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.310 -10.206 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.545 -11.449 -0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.858 -9.166 -1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.842 -8.533 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.810 -10.854 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.083 -9.218 0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.625 -9.439 2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.546 -10.516 1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.737 -11.678 3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.184 -12.288 1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.230 -11.245 2.379 1.00 0.00 H new ATOM 1231 N GLY A 84 5.658 -11.720 -4.292 1.00 0.00 N ATOM 1232 CA GLY A 84 4.779 -12.757 -4.806 1.00 0.00 C ATOM 1233 C GLY A 84 3.394 -12.670 -4.162 1.00 0.00 C ATOM 1234 O GLY A 84 2.513 -13.473 -4.465 1.00 0.00 O ATOM 0 H GLY A 84 5.833 -10.951 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.688 -12.658 -5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.214 -13.737 -4.611 1.00 0.00 H new ATOM 1238 N ARG A 85 3.245 -11.688 -3.285 1.00 0.00 N ATOM 1239 CA ARG A 85 1.982 -11.485 -2.595 1.00 0.00 C ATOM 1240 C ARG A 85 1.213 -10.323 -3.227 1.00 0.00 C ATOM 1241 O ARG A 85 1.737 -9.216 -3.339 1.00 0.00 O ATOM 1242 CB ARG A 85 2.206 -11.193 -1.110 1.00 0.00 C ATOM 1243 CG ARG A 85 1.758 -12.373 -0.246 1.00 0.00 C ATOM 1244 CD ARG A 85 2.914 -13.346 -0.004 1.00 0.00 C ATOM 1245 NE ARG A 85 2.400 -14.610 0.568 1.00 0.00 N ATOM 1246 CZ ARG A 85 3.126 -15.730 0.688 1.00 0.00 C ATOM 1247 NH1 ARG A 85 4.401 -15.749 0.276 1.00 0.00 N ATOM 1248 NH2 ARG A 85 2.577 -16.830 1.220 1.00 0.00 N ATOM 0 H ARG A 85 3.978 -11.024 -3.036 1.00 0.00 H new ATOM 0 HA ARG A 85 1.401 -12.403 -2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.261 -10.987 -0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.653 -10.298 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.381 -12.007 0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.935 -12.895 -0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.434 -13.546 -0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.640 -12.899 0.675 1.00 0.00 H new ATOM 0 HE ARG A 85 1.433 -14.630 0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.819 -14.911 -0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.954 -16.601 0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.607 -16.815 1.534 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.129 -17.683 1.311 1.00 0.00 H new ATOM 1262 N ALA A 86 -0.018 -10.615 -3.622 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.864 -9.608 -4.240 1.00 0.00 C ATOM 1264 C ALA A 86 -1.292 -8.590 -3.181 1.00 0.00 C ATOM 1265 O ALA A 86 -1.766 -8.965 -2.110 1.00 0.00 O ATOM 1266 CB ALA A 86 -2.058 -10.287 -4.912 1.00 0.00 C ATOM 0 H ALA A 86 -0.449 -11.534 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.318 -9.069 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.693 -9.532 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.701 -10.979 -5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.633 -10.835 -4.165 1.00 0.00 H new ATOM 1272 N VAL A 87 -1.110 -7.321 -3.519 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.472 -6.246 -2.611 1.00 0.00 C ATOM 1274 C VAL A 87 -2.831 -5.674 -3.020 1.00 0.00 C ATOM 1275 O VAL A 87 -3.296 -5.907 -4.135 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.364 -5.192 -2.581 1.00 0.00 C ATOM 1277 CG1 VAL A 87 0.151 -4.898 -3.991 1.00 0.00 C ATOM 1278 CG2 VAL A 87 -0.844 -3.911 -1.894 1.00 0.00 C ATOM 0 H VAL A 87 -0.717 -7.014 -4.409 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.572 -6.623 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 87 0.465 -5.594 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.938 -4.145 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.550 -5.812 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.668 -4.527 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.037 -3.178 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.698 -3.505 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.139 -4.136 -0.869 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.429 -4.937 -2.096 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.726 -4.330 -2.347 1.00 0.00 C ATOM 1290 C LYS A 88 -4.806 -2.988 -1.615 1.00 0.00 C ATOM 1291 O LYS A 88 -4.803 -2.947 -0.386 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.851 -5.299 -1.980 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.878 -5.400 -3.109 1.00 0.00 C ATOM 1294 CD LYS A 88 -7.462 -6.811 -3.195 1.00 0.00 C ATOM 1295 CE LYS A 88 -8.946 -6.769 -3.566 1.00 0.00 C ATOM 1296 NZ LYS A 88 -9.130 -7.079 -5.001 1.00 0.00 N ATOM 0 H LYS A 88 -3.040 -4.746 -1.173 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.850 -4.122 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.434 -6.285 -1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.342 -4.963 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.680 -4.681 -2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.408 -5.139 -4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.914 -7.390 -3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.337 -7.319 -2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.499 -7.486 -2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.354 -5.783 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.143 -7.046 -5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.618 -6.379 -5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.759 -8.030 -5.201 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.875 -1.925 -2.402 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.956 -0.585 -1.845 1.00 0.00 C ATOM 1312 C ILE A 89 -6.335 0.006 -2.147 1.00 0.00 C ATOM 1313 O ILE A 89 -6.684 0.215 -3.308 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.795 0.275 -2.347 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.452 -0.411 -2.088 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.848 1.678 -1.738 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.946 -1.117 -3.348 1.00 0.00 C ATOM 0 H ILE A 89 -4.877 -1.964 -3.421 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.853 -0.617 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.896 0.388 -3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.719 0.327 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.559 -1.134 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.011 2.269 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.785 2.160 -2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.785 1.606 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.990 -1.597 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.670 -1.871 -3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.817 -0.387 -4.147 1.00 0.00 H new ATOM 1329 N SER A 90 -7.082 0.257 -1.082 1.00 0.00 N ATOM 1330 CA SER A 90 -8.414 0.820 -1.218 1.00 0.00 C ATOM 1331 C SER A 90 -8.433 2.255 -0.687 1.00 0.00 C ATOM 1332 O SER A 90 -7.439 2.733 -0.144 1.00 0.00 O ATOM 1333 CB SER A 90 -9.450 -0.032 -0.482 1.00 0.00 C ATOM 1334 OG SER A 90 -9.323 -1.416 -0.797 1.00 0.00 O ATOM 0 H SER A 90 -6.790 0.081 -0.121 1.00 0.00 H new ATOM 0 HA SER A 90 -8.675 0.828 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.336 0.107 0.593 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.452 0.309 -0.743 1.00 0.00 H new ATOM 0 HG SER A 90 -10.000 -1.927 -0.306 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.577 2.901 -0.862 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.738 4.272 -0.407 1.00 0.00 C ATOM 1342 C GLY A 91 -10.935 4.398 0.538 1.00 0.00 C ATOM 1343 O GLY A 91 -12.068 4.116 0.151 1.00 0.00 O ATOM 0 H GLY A 91 -10.400 2.501 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.832 4.599 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.876 4.930 -1.265 1.00 0.00 H new ATOM 1347 N PRO A 92 -10.635 4.834 1.791 1.00 0.00 N ATOM 1348 CA PRO A 92 -11.674 5.001 2.794 1.00 0.00 C ATOM 1349 C PRO A 92 -12.504 6.256 2.519 1.00 0.00 C ATOM 1350 O PRO A 92 -13.721 6.176 2.354 1.00 0.00 O ATOM 1351 CB PRO A 92 -10.934 5.057 4.120 1.00 0.00 C ATOM 1352 CG PRO A 92 -9.490 5.385 3.779 1.00 0.00 C ATOM 1353 CD PRO A 92 -9.305 5.177 2.284 1.00 0.00 C ATOM 0 HA PRO A 92 -12.398 4.186 2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.363 5.816 4.774 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.004 4.105 4.647 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.257 6.414 4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.810 4.744 4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.924 6.078 1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.589 4.380 2.080 1.00 0.00 H new ATOM 1361 N SER A 93 -11.814 7.386 2.478 1.00 0.00 N ATOM 1362 CA SER A 93 -12.473 8.657 2.226 1.00 0.00 C ATOM 1363 C SER A 93 -11.533 9.812 2.576 1.00 0.00 C ATOM 1364 O SER A 93 -11.414 10.772 1.816 1.00 0.00 O ATOM 1365 CB SER A 93 -13.773 8.770 3.023 1.00 0.00 C ATOM 1366 OG SER A 93 -13.646 8.224 4.333 1.00 0.00 O ATOM 0 H SER A 93 -10.805 7.448 2.615 1.00 0.00 H new ATOM 0 HA SER A 93 -12.723 8.709 1.166 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.065 9.818 3.094 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.571 8.252 2.490 1.00 0.00 H new ATOM 0 HG SER A 93 -14.497 8.317 4.810 1.00 0.00 H new ATOM 1372 N SER A 94 -10.889 9.681 3.726 1.00 0.00 N ATOM 1373 CA SER A 94 -9.963 10.702 4.186 1.00 0.00 C ATOM 1374 C SER A 94 -9.563 10.430 5.638 1.00 0.00 C ATOM 1375 O SER A 94 -9.992 11.140 6.547 1.00 0.00 O ATOM 1376 CB SER A 94 -10.574 12.098 4.056 1.00 0.00 C ATOM 1377 OG SER A 94 -10.019 13.014 4.997 1.00 0.00 O ATOM 0 H SER A 94 -10.990 8.883 4.353 1.00 0.00 H new ATOM 0 HA SER A 94 -9.073 10.665 3.558 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.410 12.473 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.652 12.037 4.202 1.00 0.00 H new ATOM 0 HG SER A 94 -10.313 12.773 5.900 1.00 0.00 H new ATOM 1383 N GLY A 95 -8.747 9.402 5.811 1.00 0.00 N ATOM 1384 CA GLY A 95 -8.285 9.028 7.137 1.00 0.00 C ATOM 1385 C GLY A 95 -9.123 7.881 7.706 1.00 0.00 C ATOM 1386 O GLY A 95 -9.049 6.753 7.222 1.00 0.00 O ATOM 0 H GLY A 95 -8.393 8.816 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.238 8.730 7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.342 9.890 7.802 1.00 0.00 H new TER 1390 GLY A 95