USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 LYS NZ :NH3+ -143:sc= -2.83! (180deg=-5.35!) USER MOD Set 1.2: A 74 THR OG1 : rot -30:sc= 0.258 USER MOD Set 2.1: A 17 SER OG : rot 105:sc= 0.649 USER MOD Set 2.2: A 20 THR OG1 : rot 87:sc= 1.06 USER MOD Single : A 1 SER N :NH3+ -175:sc= -0.194 (180deg=-0.249) USER MOD Single : A 1 SER OG : rot 140:sc= 0.211 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 169:sc= 0 (180deg=-0.14) USER MOD Single : A 9 ASN : amide:sc= -0.0543 K(o=-0.054,f=-1.4!) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -0.149 K(o=-0.15,f=-3.6!) USER MOD Single : A 34 CYS SG : rot 84:sc= -0.415 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -80:sc= 1.82 USER MOD Single : A 54 SER OG : rot 76:sc= 0.686 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=-0.079) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0667 X(o=-0.067,f=-0.067) USER MOD Single : A 72 SER OG : rot -169:sc= 0.353 USER MOD Single : A 80 SER OG : rot 30:sc= 1.29 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 84 LYS NZ :NH3+ 140:sc= -2.69 (180deg=-4.31!) USER MOD Single : A 85 ASN : amide:sc= 0.185 K(o=0.19,f=-0.88) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 0.464 (180deg=0.287) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.0868 X(o=-0.087,f=0) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.28 F(o=-0.81,f=-0.28) USER MOD Single : A 98 MET CE :methyl -123:sc= -0.505 (180deg=-5.36!) USER MOD Single : A 100 HIS : no HE2:sc= -3.4! C(o=-3.4!,f=-6.2!) USER MOD Single : A 105 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.44) USER MOD Single : A 108 THR OG1 : rot -27:sc= 0.123 USER MOD Single : A 109 ASN : amide:sc= -0.098 K(o=-0.098,f=-1.3) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.388 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.0056 K(o=-0.0056,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 25.242 -2.862 -14.724 1.00 0.00 N ATOM 2 CA SER A 1 25.045 -2.134 -16.008 1.00 0.00 C ATOM 3 C SER A 1 24.737 -0.661 -15.755 1.00 0.00 C ATOM 4 O SER A 1 24.723 0.145 -16.684 1.00 0.00 O ATOM 5 CB SER A 1 23.909 -2.781 -16.799 1.00 0.00 C ATOM 6 OG SER A 1 23.526 -4.006 -16.203 1.00 0.00 O ATOM 0 H1 SER A 1 25.533 -3.841 -14.921 1.00 0.00 H new ATOM 0 H2 SER A 1 25.979 -2.387 -14.165 1.00 0.00 H new ATOM 0 H3 SER A 1 24.351 -2.867 -14.188 1.00 0.00 H new ATOM 0 HA SER A 1 25.967 -2.194 -16.587 1.00 0.00 H new ATOM 0 HB2 SER A 1 23.054 -2.106 -16.838 1.00 0.00 H new ATOM 0 HB3 SER A 1 24.226 -2.953 -17.827 1.00 0.00 H new ATOM 0 HG SER A 1 22.550 -4.091 -16.228 1.00 0.00 H new ATOM 14 N GLU A 2 24.493 -0.333 -14.485 1.00 0.00 N ATOM 15 CA GLU A 2 24.191 1.039 -14.058 1.00 0.00 C ATOM 16 C GLU A 2 22.970 1.614 -14.784 1.00 0.00 C ATOM 17 O GLU A 2 23.027 2.717 -15.328 1.00 0.00 O ATOM 18 CB GLU A 2 25.406 1.948 -14.274 1.00 0.00 C ATOM 19 CG GLU A 2 26.575 1.642 -13.349 1.00 0.00 C ATOM 20 CD GLU A 2 27.811 2.461 -13.669 1.00 0.00 C ATOM 21 OE1 GLU A 2 27.831 3.118 -14.732 1.00 0.00 O ATOM 22 OE2 GLU A 2 28.758 2.446 -12.857 1.00 0.00 O ATOM 0 H GLU A 2 24.499 -1.009 -13.722 1.00 0.00 H new ATOM 0 HA GLU A 2 23.954 0.999 -12.995 1.00 0.00 H new ATOM 0 HB2 GLU A 2 25.739 1.854 -15.308 1.00 0.00 H new ATOM 0 HB3 GLU A 2 25.102 2.985 -14.130 1.00 0.00 H new ATOM 0 HG2 GLU A 2 26.276 1.833 -12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 2 26.819 0.582 -13.419 1.00 0.00 H new ATOM 29 N PHE A 3 21.869 0.860 -14.787 1.00 0.00 N ATOM 30 CA PHE A 3 20.634 1.306 -15.436 1.00 0.00 C ATOM 31 C PHE A 3 20.065 2.549 -14.755 1.00 0.00 C ATOM 32 O PHE A 3 19.558 3.453 -15.418 1.00 0.00 O ATOM 33 CB PHE A 3 19.582 0.194 -15.430 1.00 0.00 C ATOM 34 CG PHE A 3 19.800 -0.863 -16.476 1.00 0.00 C ATOM 35 CD1 PHE A 3 20.210 -2.138 -16.119 1.00 0.00 C ATOM 36 CD2 PHE A 3 19.590 -0.582 -17.816 1.00 0.00 C ATOM 37 CE1 PHE A 3 20.406 -3.112 -17.078 1.00 0.00 C ATOM 38 CE2 PHE A 3 19.786 -1.552 -18.782 1.00 0.00 C ATOM 39 CZ PHE A 3 20.193 -2.818 -18.412 1.00 0.00 C ATOM 0 H PHE A 3 21.807 -0.059 -14.349 1.00 0.00 H new ATOM 0 HA PHE A 3 20.884 1.557 -16.467 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.574 -0.278 -14.448 1.00 0.00 H new ATOM 0 HB3 PHE A 3 18.598 0.639 -15.578 1.00 0.00 H new ATOM 0 HD1 PHE A 3 20.378 -2.372 -15.078 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.269 0.407 -18.110 1.00 0.00 H new ATOM 0 HE1 PHE A 3 20.725 -4.102 -16.786 1.00 0.00 H new ATOM 0 HE2 PHE A 3 19.621 -1.319 -19.824 1.00 0.00 H new ATOM 0 HZ PHE A 3 20.345 -3.578 -19.164 1.00 0.00 H new ATOM 49 N GLY A 4 20.143 2.583 -13.427 1.00 0.00 N ATOM 50 CA GLY A 4 19.629 3.718 -12.677 1.00 0.00 C ATOM 51 C GLY A 4 18.134 3.632 -12.430 1.00 0.00 C ATOM 52 O GLY A 4 17.540 4.558 -11.878 1.00 0.00 O ATOM 0 H GLY A 4 20.553 1.844 -12.856 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.148 3.780 -11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.851 4.637 -13.220 1.00 0.00 H new ATOM 56 N SER A 5 17.530 2.522 -12.845 1.00 0.00 N ATOM 57 CA SER A 5 16.093 2.306 -12.671 1.00 0.00 C ATOM 58 C SER A 5 15.708 2.262 -11.194 1.00 0.00 C ATOM 59 O SER A 5 14.673 2.797 -10.796 1.00 0.00 O ATOM 60 CB SER A 5 15.671 1.005 -13.357 1.00 0.00 C ATOM 61 OG SER A 5 15.872 1.078 -14.758 1.00 0.00 O ATOM 0 H SER A 5 18.015 1.753 -13.307 1.00 0.00 H new ATOM 0 HA SER A 5 15.572 3.146 -13.130 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.243 0.172 -12.947 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.620 0.804 -13.147 1.00 0.00 H new ATOM 0 HG SER A 5 15.596 0.234 -15.172 1.00 0.00 H new ATOM 67 N MET A 6 16.545 1.622 -10.383 1.00 0.00 N ATOM 68 CA MET A 6 16.281 1.512 -8.952 1.00 0.00 C ATOM 69 C MET A 6 16.858 2.716 -8.207 1.00 0.00 C ATOM 70 O MET A 6 17.930 2.637 -7.607 1.00 0.00 O ATOM 71 CB MET A 6 16.881 0.208 -8.407 1.00 0.00 C ATOM 72 CG MET A 6 16.534 -0.070 -6.951 1.00 0.00 C ATOM 73 SD MET A 6 17.240 -1.618 -6.354 1.00 0.00 S ATOM 74 CE MET A 6 18.970 -1.171 -6.217 1.00 0.00 C ATOM 0 H MET A 6 17.408 1.174 -10.690 1.00 0.00 H new ATOM 0 HA MET A 6 15.203 1.497 -8.795 1.00 0.00 H new ATOM 0 HB2 MET A 6 16.532 -0.624 -9.019 1.00 0.00 H new ATOM 0 HB3 MET A 6 17.965 0.247 -8.511 1.00 0.00 H new ATOM 0 HG2 MET A 6 16.894 0.752 -6.332 1.00 0.00 H new ATOM 0 HG3 MET A 6 15.450 -0.102 -6.839 1.00 0.00 H new ATOM 0 HE1 MET A 6 19.506 -1.953 -5.679 1.00 0.00 H new ATOM 0 HE2 MET A 6 19.397 -1.058 -7.214 1.00 0.00 H new ATOM 0 HE3 MET A 6 19.061 -0.230 -5.675 1.00 0.00 H new ATOM 84 N ALA A 7 16.147 3.841 -8.278 1.00 0.00 N ATOM 85 CA ALA A 7 16.570 5.066 -7.604 1.00 0.00 C ATOM 86 C ALA A 7 16.577 4.895 -6.085 1.00 0.00 C ATOM 87 O ALA A 7 17.485 5.364 -5.400 1.00 0.00 O ATOM 88 CB ALA A 7 15.668 6.226 -8.002 1.00 0.00 C ATOM 0 H ALA A 7 15.273 3.928 -8.797 1.00 0.00 H new ATOM 0 HA ALA A 7 17.590 5.285 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.995 7.132 -7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 7 15.723 6.376 -9.080 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.640 6.001 -7.719 1.00 0.00 H new ATOM 94 N GLY A 8 15.555 4.217 -5.570 1.00 0.00 N ATOM 95 CA GLY A 8 15.455 3.991 -4.139 1.00 0.00 C ATOM 96 C GLY A 8 14.681 5.086 -3.427 1.00 0.00 C ATOM 97 O GLY A 8 14.440 6.153 -3.992 1.00 0.00 O ATOM 0 H GLY A 8 14.793 3.820 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.969 3.032 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 8 16.457 3.925 -3.715 1.00 0.00 H new ATOM 101 N ASN A 9 14.285 4.818 -2.186 1.00 0.00 N ATOM 102 CA ASN A 9 13.536 5.785 -1.387 1.00 0.00 C ATOM 103 C ASN A 9 13.660 5.453 0.096 1.00 0.00 C ATOM 104 O ASN A 9 13.831 4.290 0.462 1.00 0.00 O ATOM 105 CB ASN A 9 12.061 5.801 -1.799 1.00 0.00 C ATOM 106 CG ASN A 9 11.357 7.072 -1.367 1.00 0.00 C ATOM 107 OD1 ASN A 9 11.972 8.134 -1.274 1.00 0.00 O ATOM 108 ND2 ASN A 9 10.061 6.974 -1.104 1.00 0.00 N ATOM 0 H ASN A 9 14.471 3.935 -1.710 1.00 0.00 H new ATOM 0 HA ASN A 9 13.956 6.775 -1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.987 5.697 -2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.554 4.941 -1.361 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.536 7.798 -0.812 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.589 6.074 -1.194 1.00 0.00 H new ATOM 115 N CYS A 10 13.582 6.473 0.942 1.00 0.00 N ATOM 116 CA CYS A 10 13.691 6.275 2.384 1.00 0.00 C ATOM 117 C CYS A 10 12.450 6.793 3.105 1.00 0.00 C ATOM 118 O CYS A 10 11.849 7.784 2.691 1.00 0.00 O ATOM 119 CB CYS A 10 14.938 6.979 2.924 1.00 0.00 C ATOM 120 SG CYS A 10 16.492 6.362 2.235 1.00 0.00 S ATOM 0 H CYS A 10 13.444 7.443 0.657 1.00 0.00 H new ATOM 0 HA CYS A 10 13.775 5.204 2.570 1.00 0.00 H new ATOM 0 HB2 CYS A 10 14.859 8.046 2.715 1.00 0.00 H new ATOM 0 HB3 CYS A 10 14.964 6.868 4.008 1.00 0.00 H new ATOM 0 HG CYS A 10 17.487 7.020 2.751 1.00 0.00 H new ATOM 126 N GLY A 11 12.073 6.115 4.183 1.00 0.00 N ATOM 127 CA GLY A 11 10.911 6.518 4.954 1.00 0.00 C ATOM 128 C GLY A 11 10.622 5.558 6.088 1.00 0.00 C ATOM 129 O GLY A 11 11.321 4.558 6.248 1.00 0.00 O ATOM 0 H GLY A 11 12.554 5.289 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.073 7.518 5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.043 6.576 4.298 1.00 0.00 H new ATOM 133 N ALA A 12 9.601 5.866 6.884 1.00 0.00 N ATOM 134 CA ALA A 12 9.213 5.019 8.009 1.00 0.00 C ATOM 135 C ALA A 12 7.758 5.271 8.384 1.00 0.00 C ATOM 136 O ALA A 12 7.242 6.369 8.180 1.00 0.00 O ATOM 137 CB ALA A 12 10.118 5.273 9.206 1.00 0.00 C ATOM 0 H ALA A 12 9.025 6.700 6.770 1.00 0.00 H new ATOM 0 HA ALA A 12 9.321 3.977 7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.814 4.633 10.034 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.150 5.050 8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.039 6.318 9.507 1.00 0.00 H new ATOM 143 N ARG A 13 7.094 4.253 8.927 1.00 0.00 N ATOM 144 CA ARG A 13 5.699 4.393 9.331 1.00 0.00 C ATOM 145 C ARG A 13 5.552 4.212 10.843 1.00 0.00 C ATOM 146 O ARG A 13 5.284 5.172 11.566 1.00 0.00 O ATOM 147 CB ARG A 13 4.815 3.389 8.578 1.00 0.00 C ATOM 148 CG ARG A 13 3.341 3.469 8.953 1.00 0.00 C ATOM 149 CD ARG A 13 2.748 4.824 8.591 1.00 0.00 C ATOM 150 NE ARG A 13 1.343 4.933 8.977 1.00 0.00 N ATOM 151 CZ ARG A 13 0.329 4.533 8.216 1.00 0.00 C ATOM 152 NH1 ARG A 13 -0.917 4.664 8.652 1.00 0.00 N ATOM 153 NH2 ARG A 13 0.556 4.007 7.018 1.00 0.00 N ATOM 0 H ARG A 13 7.496 3.331 9.096 1.00 0.00 H new ATOM 0 HA ARG A 13 5.369 5.400 9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.918 3.560 7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.177 2.380 8.776 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.790 2.680 8.440 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.226 3.294 10.023 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.320 5.612 9.082 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.841 4.984 7.517 1.00 0.00 H new ATOM 0 HE ARG A 13 1.127 5.341 9.886 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.096 5.071 9.570 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.696 4.358 8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.512 3.908 6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.226 3.702 6.439 1.00 0.00 H new ATOM 167 N GLY A 14 5.734 2.983 11.320 1.00 0.00 N ATOM 168 CA GLY A 14 5.618 2.720 12.742 1.00 0.00 C ATOM 169 C GLY A 14 6.201 1.377 13.136 1.00 0.00 C ATOM 170 O GLY A 14 6.325 0.481 12.300 1.00 0.00 O ATOM 0 H GLY A 14 5.959 2.168 10.749 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.126 3.509 13.296 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.567 2.754 13.030 1.00 0.00 H new ATOM 174 N ALA A 15 6.576 1.251 14.407 1.00 0.00 N ATOM 175 CA ALA A 15 7.151 0.012 14.935 1.00 0.00 C ATOM 176 C ALA A 15 6.149 -1.143 14.915 1.00 0.00 C ATOM 177 O ALA A 15 6.507 -2.281 14.614 1.00 0.00 O ATOM 178 CB ALA A 15 7.668 0.234 16.349 1.00 0.00 C ATOM 0 H ALA A 15 6.492 1.998 15.097 1.00 0.00 H new ATOM 0 HA ALA A 15 7.980 -0.265 14.284 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.093 -0.694 16.731 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.436 1.007 16.338 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.846 0.548 16.992 1.00 0.00 H new ATOM 184 N LEU A 16 4.897 -0.844 15.246 1.00 0.00 N ATOM 185 CA LEU A 16 3.850 -1.861 15.282 1.00 0.00 C ATOM 186 C LEU A 16 2.885 -1.698 14.114 1.00 0.00 C ATOM 187 O LEU A 16 2.645 -0.584 13.645 1.00 0.00 O ATOM 188 CB LEU A 16 3.081 -1.791 16.606 1.00 0.00 C ATOM 189 CG LEU A 16 3.930 -1.983 17.867 1.00 0.00 C ATOM 190 CD1 LEU A 16 3.072 -1.826 19.114 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.608 -3.347 17.858 1.00 0.00 C ATOM 0 H LEU A 16 4.582 0.094 15.493 1.00 0.00 H new ATOM 0 HA LEU A 16 4.330 -2.836 15.199 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.583 -0.823 16.667 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.300 -2.551 16.594 1.00 0.00 H new ATOM 0 HG LEU A 16 4.704 -1.216 17.878 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.690 -1.965 20.001 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.633 -0.828 19.131 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.277 -2.572 19.105 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.206 -3.462 18.762 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.850 -4.130 17.822 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.254 -3.426 16.984 1.00 0.00 H new ATOM 203 N SER A 17 2.334 -2.815 13.648 1.00 0.00 N ATOM 204 CA SER A 17 1.401 -2.798 12.531 1.00 0.00 C ATOM 205 C SER A 17 -0.004 -2.395 12.981 1.00 0.00 C ATOM 206 O SER A 17 -0.691 -3.148 13.675 1.00 0.00 O ATOM 207 CB SER A 17 1.375 -4.182 11.880 1.00 0.00 C ATOM 208 OG SER A 17 1.455 -5.207 12.855 1.00 0.00 O ATOM 0 H SER A 17 2.519 -3.743 14.028 1.00 0.00 H new ATOM 0 HA SER A 17 1.736 -2.055 11.807 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.459 -4.298 11.301 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.207 -4.274 11.182 1.00 0.00 H new ATOM 0 HG SER A 17 0.575 -5.623 12.965 1.00 0.00 H new ATOM 214 N ALA A 18 -0.432 -1.203 12.566 1.00 0.00 N ATOM 215 CA ALA A 18 -1.757 -0.691 12.909 1.00 0.00 C ATOM 216 C ALA A 18 -2.793 -1.102 11.864 1.00 0.00 C ATOM 217 O ALA A 18 -3.994 -0.935 12.064 1.00 0.00 O ATOM 218 CB ALA A 18 -1.718 0.823 13.047 1.00 0.00 C ATOM 0 H ALA A 18 0.124 -0.572 11.989 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.051 -1.125 13.865 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.712 1.191 13.303 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.016 1.099 13.834 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.399 1.266 12.104 1.00 0.00 H new ATOM 224 N HIS A 19 -2.309 -1.646 10.758 1.00 0.00 N ATOM 225 CA HIS A 19 -3.170 -2.079 9.660 1.00 0.00 C ATOM 226 C HIS A 19 -3.317 -3.596 9.628 1.00 0.00 C ATOM 227 O HIS A 19 -3.617 -4.165 8.590 1.00 0.00 O ATOM 228 CB HIS A 19 -2.631 -1.583 8.311 1.00 0.00 C ATOM 229 CG HIS A 19 -2.721 -0.098 8.128 1.00 0.00 C ATOM 230 ND1 HIS A 19 -3.906 0.579 7.945 1.00 0.00 N ATOM 231 CD2 HIS A 19 -1.744 0.843 8.090 1.00 0.00 C ATOM 232 CE1 HIS A 19 -3.620 1.879 7.803 1.00 0.00 C ATOM 233 NE2 HIS A 19 -2.321 2.091 7.881 1.00 0.00 N ATOM 0 H HIS A 19 -1.314 -1.801 10.593 1.00 0.00 H new ATOM 0 HA HIS A 19 -4.153 -1.641 9.833 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.589 -1.888 8.213 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.183 -2.072 7.509 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.837 0.163 7.922 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.687 0.653 8.204 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.357 2.653 7.645 1.00 0.00 H new ATOM 240 N THR A 20 -3.070 -4.252 10.758 1.00 0.00 N ATOM 241 CA THR A 20 -3.170 -5.709 10.823 1.00 0.00 C ATOM 242 C THR A 20 -4.617 -6.189 10.643 1.00 0.00 C ATOM 243 O THR A 20 -5.478 -5.925 11.485 1.00 0.00 O ATOM 244 CB THR A 20 -2.634 -6.233 12.172 1.00 0.00 C ATOM 245 OG1 THR A 20 -1.331 -5.691 12.422 1.00 0.00 O ATOM 246 CG2 THR A 20 -2.553 -7.752 12.180 1.00 0.00 C ATOM 0 H THR A 20 -2.801 -3.804 11.634 1.00 0.00 H new ATOM 0 HA THR A 20 -2.566 -6.104 10.006 1.00 0.00 H new ATOM 0 HB THR A 20 -3.326 -5.917 12.953 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.418 -4.824 12.870 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.172 -8.091 13.143 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.546 -8.170 12.015 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.883 -8.085 11.387 1.00 0.00 H new ATOM 254 N LEU A 21 -4.863 -6.912 9.546 1.00 0.00 N ATOM 255 CA LEU A 21 -6.186 -7.463 9.239 1.00 0.00 C ATOM 256 C LEU A 21 -6.064 -8.514 8.134 1.00 0.00 C ATOM 257 O LEU A 21 -4.983 -8.707 7.579 1.00 0.00 O ATOM 258 CB LEU A 21 -7.158 -6.359 8.817 1.00 0.00 C ATOM 259 CG LEU A 21 -8.415 -6.233 9.686 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.613 -4.794 10.133 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.640 -6.733 8.936 1.00 0.00 C ATOM 0 H LEU A 21 -4.153 -7.131 8.848 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.583 -7.932 10.140 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.629 -5.406 8.830 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.464 -6.540 7.787 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.281 -6.853 10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.510 -4.724 10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.749 -4.471 10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.723 -4.153 9.258 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.521 -6.635 9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.778 -6.143 8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.501 -7.781 8.669 1.00 0.00 H new ATOM 273 N LEU A 22 -7.167 -9.197 7.822 1.00 0.00 N ATOM 274 CA LEU A 22 -7.151 -10.242 6.791 1.00 0.00 C ATOM 275 C LEU A 22 -7.216 -9.677 5.367 1.00 0.00 C ATOM 276 O LEU A 22 -6.337 -9.950 4.552 1.00 0.00 O ATOM 277 CB LEU A 22 -8.309 -11.220 7.015 1.00 0.00 C ATOM 278 CG LEU A 22 -7.918 -12.569 7.628 1.00 0.00 C ATOM 279 CD1 LEU A 22 -7.383 -12.386 9.038 1.00 0.00 C ATOM 280 CD2 LEU A 22 -9.108 -13.518 7.625 1.00 0.00 C ATOM 0 H LEU A 22 -8.075 -9.049 8.262 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.198 -10.763 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.044 -10.744 7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.799 -11.403 6.059 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.126 -13.005 7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.112 -13.357 9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.503 -11.744 9.013 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.150 -11.926 9.661 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.814 -14.472 8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.920 -13.085 8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.443 -13.678 6.600 1.00 0.00 H new ATOM 292 N PHE A 23 -8.261 -8.906 5.064 1.00 0.00 N ATOM 293 CA PHE A 23 -8.416 -8.319 3.727 1.00 0.00 C ATOM 294 C PHE A 23 -7.409 -7.194 3.509 1.00 0.00 C ATOM 295 O PHE A 23 -6.896 -6.993 2.407 1.00 0.00 O ATOM 296 CB PHE A 23 -9.842 -7.799 3.526 1.00 0.00 C ATOM 297 CG PHE A 23 -10.857 -8.898 3.366 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.560 -9.378 4.460 1.00 0.00 C ATOM 299 CD2 PHE A 23 -11.104 -9.450 2.119 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.490 -10.390 4.314 1.00 0.00 C ATOM 301 CE2 PHE A 23 -12.033 -10.463 1.966 1.00 0.00 C ATOM 302 CZ PHE A 23 -12.727 -10.932 3.066 1.00 0.00 C ATOM 0 H PHE A 23 -9.008 -8.673 5.718 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.225 -9.101 2.992 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.119 -7.179 4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.867 -7.159 2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.379 -8.956 5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.565 -9.085 1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.030 -10.756 5.174 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.216 -10.887 0.990 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.454 -11.722 2.949 1.00 0.00 H new ATOM 312 N ASP A 24 -7.149 -6.464 4.578 1.00 0.00 N ATOM 313 CA ASP A 24 -6.195 -5.366 4.572 1.00 0.00 C ATOM 314 C ASP A 24 -5.000 -5.739 5.422 1.00 0.00 C ATOM 315 O ASP A 24 -4.842 -5.235 6.524 1.00 0.00 O ATOM 316 CB ASP A 24 -6.798 -4.032 5.049 1.00 0.00 C ATOM 317 CG ASP A 24 -7.720 -4.158 6.250 1.00 0.00 C ATOM 318 OD1 ASP A 24 -8.672 -4.971 6.197 1.00 0.00 O ATOM 319 OD2 ASP A 24 -7.494 -3.440 7.244 1.00 0.00 O ATOM 0 H ASP A 24 -7.596 -6.616 5.482 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.891 -5.207 3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.987 -3.348 5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.352 -3.582 4.225 1.00 0.00 H new ATOM 324 N LEU A 25 -4.214 -6.691 4.918 1.00 0.00 N ATOM 325 CA LEU A 25 -3.017 -7.192 5.599 1.00 0.00 C ATOM 326 C LEU A 25 -2.153 -6.041 6.136 1.00 0.00 C ATOM 327 O LEU A 25 -2.240 -4.916 5.636 1.00 0.00 O ATOM 328 CB LEU A 25 -2.195 -8.047 4.625 1.00 0.00 C ATOM 329 CG LEU A 25 -2.880 -9.333 4.154 1.00 0.00 C ATOM 330 CD1 LEU A 25 -2.075 -9.994 3.049 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.075 -10.293 5.316 1.00 0.00 C ATOM 0 H LEU A 25 -4.390 -7.140 4.019 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.335 -7.797 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.951 -7.442 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.252 -8.310 5.104 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.860 -9.071 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.578 -10.906 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.988 -9.311 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.080 -10.240 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.563 -11.200 4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.106 -10.547 5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.696 -9.821 6.077 1.00 0.00 H new ATOM 343 N PRO A 26 -1.326 -6.323 7.178 1.00 0.00 N ATOM 344 CA PRO A 26 -0.433 -5.347 7.835 1.00 0.00 C ATOM 345 C PRO A 26 0.219 -4.336 6.884 1.00 0.00 C ATOM 346 O PRO A 26 0.281 -4.552 5.671 1.00 0.00 O ATOM 347 CB PRO A 26 0.649 -6.238 8.480 1.00 0.00 C ATOM 348 CG PRO A 26 0.238 -7.660 8.236 1.00 0.00 C ATOM 349 CD PRO A 26 -1.204 -7.633 7.823 1.00 0.00 C ATOM 0 HA PRO A 26 -0.995 -4.724 8.531 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.627 -6.037 8.042 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.730 -6.036 9.548 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.854 -8.112 7.458 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.371 -8.260 9.136 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.445 -8.446 7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.873 -7.728 8.679 1.00 0.00 H new ATOM 357 N PRO A 27 0.759 -3.226 7.448 1.00 0.00 N ATOM 358 CA PRO A 27 1.403 -2.138 6.692 1.00 0.00 C ATOM 359 C PRO A 27 2.434 -2.590 5.662 1.00 0.00 C ATOM 360 O PRO A 27 2.906 -1.781 4.883 1.00 0.00 O ATOM 361 CB PRO A 27 2.089 -1.306 7.767 1.00 0.00 C ATOM 362 CG PRO A 27 1.257 -1.509 8.973 1.00 0.00 C ATOM 363 CD PRO A 27 0.756 -2.927 8.895 1.00 0.00 C ATOM 0 HA PRO A 27 0.655 -1.608 6.102 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.115 -1.636 7.931 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.134 -0.253 7.487 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.839 -1.350 9.881 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.427 -0.802 8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.403 -3.610 9.445 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.243 -3.022 9.320 1.00 0.00 H new ATOM 371 N ALA A 28 2.787 -3.866 5.657 1.00 0.00 N ATOM 372 CA ALA A 28 3.755 -4.384 4.707 1.00 0.00 C ATOM 373 C ALA A 28 3.327 -4.060 3.274 1.00 0.00 C ATOM 374 O ALA A 28 4.170 -3.790 2.419 1.00 0.00 O ATOM 375 CB ALA A 28 3.913 -5.887 4.884 1.00 0.00 C ATOM 0 H ALA A 28 2.415 -4.563 6.303 1.00 0.00 H new ATOM 0 HA ALA A 28 4.716 -3.906 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.642 -6.263 4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.258 -6.100 5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.953 -6.376 4.717 1.00 0.00 H new ATOM 381 N LEU A 29 2.019 -4.088 3.009 1.00 0.00 N ATOM 382 CA LEU A 29 1.532 -3.777 1.669 1.00 0.00 C ATOM 383 C LEU A 29 0.823 -2.417 1.588 1.00 0.00 C ATOM 384 O LEU A 29 1.411 -1.434 1.155 1.00 0.00 O ATOM 385 CB LEU A 29 0.595 -4.878 1.172 1.00 0.00 C ATOM 386 CG LEU A 29 0.775 -5.234 -0.300 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.220 -5.622 -0.567 1.00 0.00 C ATOM 388 CD2 LEU A 29 -0.166 -6.357 -0.700 1.00 0.00 C ATOM 0 H LEU A 29 1.294 -4.318 3.689 1.00 0.00 H new ATOM 0 HA LEU A 29 2.411 -3.720 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.754 -5.773 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.436 -4.563 1.335 1.00 0.00 H new ATOM 0 HG LEU A 29 0.530 -4.360 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.340 -5.875 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.873 -4.786 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.484 -6.484 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.021 -6.595 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.044 -7.240 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.197 -6.043 -0.537 1.00 0.00 H new ATOM 400 N LEU A 30 -0.432 -2.365 2.038 1.00 0.00 N ATOM 401 CA LEU A 30 -1.239 -1.139 1.970 1.00 0.00 C ATOM 402 C LEU A 30 -0.639 0.020 2.774 1.00 0.00 C ATOM 403 O LEU A 30 -0.540 1.137 2.267 1.00 0.00 O ATOM 404 CB LEU A 30 -2.661 -1.436 2.480 1.00 0.00 C ATOM 405 CG LEU A 30 -3.654 -0.272 2.404 1.00 0.00 C ATOM 406 CD1 LEU A 30 -3.965 0.080 0.959 1.00 0.00 C ATOM 407 CD2 LEU A 30 -4.931 -0.608 3.160 1.00 0.00 C ATOM 0 H LEU A 30 -0.916 -3.160 2.456 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.259 -0.825 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.065 -2.271 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.593 -1.764 3.517 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.195 0.598 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.672 0.909 0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.046 0.369 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.400 -0.785 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.624 0.231 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.391 -1.494 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.694 -0.802 4.206 1.00 0.00 H new ATOM 419 N GLY A 31 -0.236 -0.242 4.012 1.00 0.00 N ATOM 420 CA GLY A 31 0.309 0.816 4.858 1.00 0.00 C ATOM 421 C GLY A 31 1.597 1.452 4.345 1.00 0.00 C ATOM 422 O GLY A 31 1.685 2.675 4.223 1.00 0.00 O ATOM 0 H GLY A 31 -0.275 -1.163 4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.444 1.596 4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.494 0.407 5.851 1.00 0.00 H new ATOM 426 N GLU A 32 2.588 0.623 4.038 1.00 0.00 N ATOM 427 CA GLU A 32 3.889 1.101 3.573 1.00 0.00 C ATOM 428 C GLU A 32 3.854 1.640 2.148 1.00 0.00 C ATOM 429 O GLU A 32 4.434 2.689 1.872 1.00 0.00 O ATOM 430 CB GLU A 32 4.922 -0.025 3.672 1.00 0.00 C ATOM 431 CG GLU A 32 6.364 0.439 3.518 1.00 0.00 C ATOM 432 CD GLU A 32 6.881 1.173 4.742 1.00 0.00 C ATOM 433 OE1 GLU A 32 6.143 1.252 5.748 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.030 1.655 4.701 1.00 0.00 O ATOM 0 H GLU A 32 2.516 -0.392 4.103 1.00 0.00 H new ATOM 0 HA GLU A 32 4.168 1.932 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.812 -0.521 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.707 -0.769 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.000 -0.425 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.439 1.093 2.649 1.00 0.00 H new ATOM 441 N LEU A 33 3.176 0.936 1.244 1.00 0.00 N ATOM 442 CA LEU A 33 3.133 1.368 -0.148 1.00 0.00 C ATOM 443 C LEU A 33 2.410 2.696 -0.319 1.00 0.00 C ATOM 444 O LEU A 33 2.855 3.538 -1.095 1.00 0.00 O ATOM 445 CB LEU A 33 2.508 0.307 -1.061 1.00 0.00 C ATOM 446 CG LEU A 33 3.330 -0.976 -1.221 1.00 0.00 C ATOM 447 CD1 LEU A 33 2.556 -2.016 -2.012 1.00 0.00 C ATOM 448 CD2 LEU A 33 4.664 -0.678 -1.892 1.00 0.00 C ATOM 0 H LEU A 33 2.659 0.080 1.446 1.00 0.00 H new ATOM 0 HA LEU A 33 4.171 1.509 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.526 0.044 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.350 0.745 -2.047 1.00 0.00 H new ATOM 0 HG LEU A 33 3.527 -1.380 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.159 -2.919 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.630 -2.255 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.324 -1.622 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.233 -1.602 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.487 -0.247 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.228 0.028 -1.283 1.00 0.00 H new ATOM 460 N CYS A 34 1.305 2.903 0.393 1.00 0.00 N ATOM 461 CA CYS A 34 0.571 4.156 0.244 1.00 0.00 C ATOM 462 C CYS A 34 1.337 5.327 0.852 1.00 0.00 C ATOM 463 O CYS A 34 1.419 6.390 0.253 1.00 0.00 O ATOM 464 CB CYS A 34 -0.820 4.090 0.875 1.00 0.00 C ATOM 465 SG CYS A 34 -1.867 2.777 0.207 1.00 0.00 S ATOM 0 H CYS A 34 0.907 2.241 1.060 1.00 0.00 H new ATOM 0 HA CYS A 34 0.459 4.313 -0.829 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.714 3.945 1.950 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.319 5.048 0.731 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.598 1.658 0.811 1.00 0.00 H new ATOM 471 N ALA A 35 1.901 5.124 2.046 1.00 0.00 N ATOM 472 CA ALA A 35 2.629 6.189 2.739 1.00 0.00 C ATOM 473 C ALA A 35 3.990 6.512 2.114 1.00 0.00 C ATOM 474 O ALA A 35 4.290 7.676 1.843 1.00 0.00 O ATOM 475 CB ALA A 35 2.807 5.826 4.204 1.00 0.00 C ATOM 0 H ALA A 35 1.868 4.238 2.550 1.00 0.00 H new ATOM 0 HA ALA A 35 2.023 7.090 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.349 6.623 4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.829 5.698 4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.370 4.896 4.283 1.00 0.00 H new ATOM 481 N VAL A 36 4.808 5.486 1.883 1.00 0.00 N ATOM 482 CA VAL A 36 6.149 5.682 1.326 1.00 0.00 C ATOM 483 C VAL A 36 6.135 6.165 -0.128 1.00 0.00 C ATOM 484 O VAL A 36 6.887 7.073 -0.489 1.00 0.00 O ATOM 485 CB VAL A 36 7.009 4.401 1.474 1.00 0.00 C ATOM 486 CG1 VAL A 36 8.316 4.516 0.698 1.00 0.00 C ATOM 487 CG2 VAL A 36 7.297 4.144 2.942 1.00 0.00 C ATOM 0 H VAL A 36 4.568 4.513 2.072 1.00 0.00 H new ATOM 0 HA VAL A 36 6.606 6.480 1.911 1.00 0.00 H new ATOM 0 HB VAL A 36 6.447 3.564 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.895 3.601 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.099 4.667 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.890 5.363 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.902 3.243 3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.838 4.992 3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.358 4.012 3.479 1.00 0.00 H new ATOM 497 N LEU A 37 5.278 5.579 -0.956 1.00 0.00 N ATOM 498 CA LEU A 37 5.207 5.972 -2.363 1.00 0.00 C ATOM 499 C LEU A 37 4.417 7.271 -2.547 1.00 0.00 C ATOM 500 O LEU A 37 4.465 7.886 -3.609 1.00 0.00 O ATOM 501 CB LEU A 37 4.615 4.862 -3.230 1.00 0.00 C ATOM 502 CG LEU A 37 5.374 3.535 -3.236 1.00 0.00 C ATOM 503 CD1 LEU A 37 4.680 2.537 -4.147 1.00 0.00 C ATOM 504 CD2 LEU A 37 6.817 3.744 -3.673 1.00 0.00 C ATOM 0 H LEU A 37 4.630 4.840 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 37 6.231 6.148 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.595 4.672 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.551 5.225 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 37 5.380 3.135 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.230 1.596 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.664 2.365 -3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.647 2.933 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.340 2.788 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.835 4.165 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.310 4.429 -2.984 1.00 0.00 H new ATOM 516 N ASP A 38 3.657 7.666 -1.526 1.00 0.00 N ATOM 517 CA ASP A 38 2.877 8.906 -1.578 1.00 0.00 C ATOM 518 C ASP A 38 3.785 10.107 -1.814 1.00 0.00 C ATOM 519 O ASP A 38 3.442 11.028 -2.552 1.00 0.00 O ATOM 520 CB ASP A 38 2.113 9.111 -0.268 1.00 0.00 C ATOM 521 CG ASP A 38 1.286 10.377 -0.267 1.00 0.00 C ATOM 522 OD1 ASP A 38 0.309 10.446 -1.035 1.00 0.00 O ATOM 523 OD2 ASP A 38 1.611 11.297 0.514 1.00 0.00 O ATOM 0 H ASP A 38 3.564 7.147 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 38 2.172 8.821 -2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.460 8.255 -0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.821 9.144 0.560 1.00 0.00 H new ATOM 528 N SER A 39 4.945 10.085 -1.172 1.00 0.00 N ATOM 529 CA SER A 39 5.915 11.166 -1.296 1.00 0.00 C ATOM 530 C SER A 39 6.888 10.900 -2.442 1.00 0.00 C ATOM 531 O SER A 39 7.895 11.595 -2.587 1.00 0.00 O ATOM 532 CB SER A 39 6.685 11.336 0.014 1.00 0.00 C ATOM 533 OG SER A 39 5.810 11.658 1.082 1.00 0.00 O ATOM 0 H SER A 39 5.239 9.326 -0.557 1.00 0.00 H new ATOM 0 HA SER A 39 5.372 12.085 -1.514 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.223 10.417 0.245 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.431 12.122 -0.099 1.00 0.00 H new ATOM 0 HG SER A 39 6.326 11.760 1.909 1.00 0.00 H new ATOM 539 N CYS A 40 6.588 9.883 -3.250 1.00 0.00 N ATOM 540 CA CYS A 40 7.442 9.519 -4.373 1.00 0.00 C ATOM 541 C CYS A 40 7.421 10.594 -5.455 1.00 0.00 C ATOM 542 O CYS A 40 6.385 11.198 -5.730 1.00 0.00 O ATOM 543 CB CYS A 40 7.017 8.179 -4.968 1.00 0.00 C ATOM 544 SG CYS A 40 8.185 7.516 -6.169 1.00 0.00 S ATOM 0 H CYS A 40 5.759 9.298 -3.145 1.00 0.00 H new ATOM 0 HA CYS A 40 8.460 9.430 -3.993 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.890 7.457 -4.161 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.045 8.296 -5.447 1.00 0.00 H new ATOM 0 HG CYS A 40 8.008 8.102 -7.316 1.00 0.00 H new ATOM 550 N ASP A 41 8.575 10.821 -6.066 1.00 0.00 N ATOM 551 CA ASP A 41 8.708 11.824 -7.114 1.00 0.00 C ATOM 552 C ASP A 41 9.566 11.284 -8.253 1.00 0.00 C ATOM 553 O ASP A 41 10.599 11.858 -8.598 1.00 0.00 O ATOM 554 CB ASP A 41 9.324 13.110 -6.556 1.00 0.00 C ATOM 555 CG ASP A 41 9.044 14.314 -7.434 1.00 0.00 C ATOM 556 OD1 ASP A 41 8.108 14.244 -8.258 1.00 0.00 O ATOM 557 OD2 ASP A 41 9.759 15.328 -7.293 1.00 0.00 O ATOM 0 H ASP A 41 9.438 10.321 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 41 7.714 12.055 -7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.931 13.294 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.402 12.980 -6.456 1.00 0.00 H new ATOM 562 N GLY A 42 9.134 10.165 -8.822 1.00 0.00 N ATOM 563 CA GLY A 42 9.857 9.555 -9.925 1.00 0.00 C ATOM 564 C GLY A 42 10.867 8.507 -9.484 1.00 0.00 C ATOM 565 O GLY A 42 11.401 7.781 -10.319 1.00 0.00 O ATOM 0 H GLY A 42 8.291 9.666 -8.538 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.142 9.095 -10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.375 10.334 -10.484 1.00 0.00 H new ATOM 569 N ALA A 43 11.137 8.429 -8.178 1.00 0.00 N ATOM 570 CA ALA A 43 12.086 7.444 -7.655 1.00 0.00 C ATOM 571 C ALA A 43 11.593 6.021 -7.907 1.00 0.00 C ATOM 572 O ALA A 43 12.361 5.143 -8.301 1.00 0.00 O ATOM 573 CB ALA A 43 12.317 7.670 -6.166 1.00 0.00 C ATOM 0 H ALA A 43 10.716 9.030 -7.470 1.00 0.00 H new ATOM 0 HA ALA A 43 13.032 7.572 -8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.025 6.930 -5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.720 8.670 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.372 7.571 -5.632 1.00 0.00 H new ATOM 579 N LEU A 44 10.303 5.806 -7.668 1.00 0.00 N ATOM 580 CA LEU A 44 9.671 4.507 -7.902 1.00 0.00 C ATOM 581 C LEU A 44 8.459 4.699 -8.803 1.00 0.00 C ATOM 582 O LEU A 44 8.119 3.836 -9.614 1.00 0.00 O ATOM 583 CB LEU A 44 9.219 3.847 -6.583 1.00 0.00 C ATOM 584 CG LEU A 44 10.314 3.123 -5.781 1.00 0.00 C ATOM 585 CD1 LEU A 44 11.303 2.427 -6.704 1.00 0.00 C ATOM 586 CD2 LEU A 44 11.037 4.099 -4.864 1.00 0.00 C ATOM 0 H LEU A 44 9.668 6.520 -7.309 1.00 0.00 H new ATOM 0 HA LEU A 44 10.404 3.853 -8.374 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.779 4.616 -5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.429 3.131 -6.810 1.00 0.00 H new ATOM 0 HG LEU A 44 9.832 2.361 -5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.065 1.924 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.777 1.693 -7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.777 3.164 -7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.808 3.569 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.498 4.886 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.324 4.542 -4.169 1.00 0.00 H new ATOM 598 N GLY A 45 7.816 5.854 -8.646 1.00 0.00 N ATOM 599 CA GLY A 45 6.640 6.181 -9.421 1.00 0.00 C ATOM 600 C GLY A 45 5.371 5.739 -8.723 1.00 0.00 C ATOM 601 O GLY A 45 5.170 4.543 -8.518 1.00 0.00 O ATOM 0 H GLY A 45 8.098 6.577 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.605 7.257 -9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.703 5.703 -10.399 1.00 0.00 H new ATOM 605 N TRP A 46 4.522 6.695 -8.335 1.00 0.00 N ATOM 606 CA TRP A 46 3.253 6.357 -7.681 1.00 0.00 C ATOM 607 C TRP A 46 2.444 5.378 -8.535 1.00 0.00 C ATOM 608 O TRP A 46 1.910 4.391 -8.030 1.00 0.00 O ATOM 609 CB TRP A 46 2.437 7.624 -7.370 1.00 0.00 C ATOM 610 CG TRP A 46 2.358 8.608 -8.506 1.00 0.00 C ATOM 611 CD1 TRP A 46 1.454 8.613 -9.528 1.00 0.00 C ATOM 612 CD2 TRP A 46 3.208 9.741 -8.721 1.00 0.00 C ATOM 613 NE1 TRP A 46 1.697 9.670 -10.371 1.00 0.00 N ATOM 614 CE2 TRP A 46 2.767 10.377 -9.897 1.00 0.00 C ATOM 615 CE3 TRP A 46 4.303 10.279 -8.037 1.00 0.00 C ATOM 616 CZ2 TRP A 46 3.380 11.523 -10.402 1.00 0.00 C ATOM 617 CZ3 TRP A 46 4.908 11.415 -8.540 1.00 0.00 C ATOM 618 CH2 TRP A 46 4.445 12.027 -9.710 1.00 0.00 C ATOM 0 H TRP A 46 4.685 7.694 -8.459 1.00 0.00 H new ATOM 0 HA TRP A 46 3.482 5.868 -6.734 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.426 7.330 -7.089 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.876 8.121 -6.505 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.662 7.890 -9.656 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.166 9.891 -11.213 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.669 9.815 -7.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.026 11.995 -11.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.755 11.839 -8.020 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.939 12.916 -10.073 1.00 0.00 H new ATOM 629 N ARG A 47 2.352 5.665 -9.832 1.00 0.00 N ATOM 630 CA ARG A 47 1.654 4.791 -10.771 1.00 0.00 C ATOM 631 C ARG A 47 2.550 3.659 -11.248 1.00 0.00 C ATOM 632 O ARG A 47 2.122 2.851 -12.043 1.00 0.00 O ATOM 633 CB ARG A 47 1.128 5.559 -11.986 1.00 0.00 C ATOM 634 CG ARG A 47 2.209 6.279 -12.776 1.00 0.00 C ATOM 635 CD ARG A 47 1.612 7.202 -13.828 1.00 0.00 C ATOM 636 NE ARG A 47 2.638 7.976 -14.528 1.00 0.00 N ATOM 637 CZ ARG A 47 3.311 7.532 -15.586 1.00 0.00 C ATOM 638 NH1 ARG A 47 4.221 8.305 -16.166 1.00 0.00 N ATOM 639 NH2 ARG A 47 3.079 6.317 -16.066 1.00 0.00 N ATOM 0 H ARG A 47 2.754 6.500 -10.257 1.00 0.00 H new ATOM 0 HA ARG A 47 0.806 4.374 -10.227 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.611 4.863 -12.647 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.390 6.288 -11.651 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.834 6.858 -12.095 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.857 5.547 -13.258 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.049 6.611 -14.550 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.906 7.883 -13.353 1.00 0.00 H new ATOM 0 HE ARG A 47 2.850 8.913 -14.184 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.404 9.239 -15.800 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.737 7.965 -16.977 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.382 5.718 -15.623 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.598 5.982 -16.878 1.00 0.00 H new ATOM 653 N GLY A 48 3.790 3.607 -10.780 1.00 0.00 N ATOM 654 CA GLY A 48 4.706 2.576 -11.242 1.00 0.00 C ATOM 655 C GLY A 48 4.208 1.165 -10.984 1.00 0.00 C ATOM 656 O GLY A 48 4.238 0.325 -11.883 1.00 0.00 O ATOM 0 H GLY A 48 4.178 4.254 -10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.875 2.704 -12.311 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.669 2.709 -10.749 1.00 0.00 H new ATOM 660 N LEU A 49 3.746 0.901 -9.769 1.00 0.00 N ATOM 661 CA LEU A 49 3.236 -0.424 -9.434 1.00 0.00 C ATOM 662 C LEU A 49 1.884 -0.683 -10.104 1.00 0.00 C ATOM 663 O LEU A 49 1.634 -1.770 -10.630 1.00 0.00 O ATOM 664 CB LEU A 49 3.110 -0.576 -7.918 1.00 0.00 C ATOM 665 CG LEU A 49 4.424 -0.464 -7.136 1.00 0.00 C ATOM 666 CD1 LEU A 49 4.164 -0.593 -5.646 1.00 0.00 C ATOM 667 CD2 LEU A 49 5.418 -1.520 -7.596 1.00 0.00 C ATOM 0 H LEU A 49 3.713 1.577 -9.006 1.00 0.00 H new ATOM 0 HA LEU A 49 3.946 -1.162 -9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.421 0.184 -7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.660 -1.545 -7.703 1.00 0.00 H new ATOM 0 HG LEU A 49 4.856 0.518 -7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.106 -0.512 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.490 0.201 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.709 -1.561 -5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.343 -1.421 -7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.996 -2.512 -7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.628 -1.384 -8.657 1.00 0.00 H new ATOM 679 N ALA A 50 1.016 0.330 -10.079 1.00 0.00 N ATOM 680 CA ALA A 50 -0.317 0.232 -10.676 1.00 0.00 C ATOM 681 C ALA A 50 -0.276 0.071 -12.192 1.00 0.00 C ATOM 682 O ALA A 50 -1.057 -0.686 -12.764 1.00 0.00 O ATOM 683 CB ALA A 50 -1.143 1.453 -10.323 1.00 0.00 C ATOM 0 H ALA A 50 1.214 1.233 -9.649 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.777 -0.666 -10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.132 1.366 -10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.243 1.524 -9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.649 2.348 -10.701 1.00 0.00 H new ATOM 689 N GLU A 51 0.637 0.797 -12.831 1.00 0.00 N ATOM 690 CA GLU A 51 0.776 0.783 -14.282 1.00 0.00 C ATOM 691 C GLU A 51 1.099 -0.621 -14.796 1.00 0.00 C ATOM 692 O GLU A 51 0.539 -1.067 -15.794 1.00 0.00 O ATOM 693 CB GLU A 51 1.878 1.760 -14.720 1.00 0.00 C ATOM 694 CG GLU A 51 2.051 1.862 -16.230 1.00 0.00 C ATOM 695 CD GLU A 51 3.132 2.845 -16.633 1.00 0.00 C ATOM 696 OE1 GLU A 51 3.781 3.420 -15.732 1.00 0.00 O ATOM 697 OE2 GLU A 51 3.327 3.050 -17.851 1.00 0.00 O ATOM 0 H GLU A 51 1.300 1.410 -12.357 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.177 1.095 -14.710 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.651 2.749 -14.323 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.823 1.448 -14.277 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.294 0.878 -16.630 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.105 2.165 -16.680 1.00 0.00 H new ATOM 704 N ARG A 52 2.023 -1.300 -14.116 1.00 0.00 N ATOM 705 CA ARG A 52 2.426 -2.656 -14.495 1.00 0.00 C ATOM 706 C ARG A 52 1.288 -3.663 -14.319 1.00 0.00 C ATOM 707 O ARG A 52 1.109 -4.557 -15.145 1.00 0.00 O ATOM 708 CB ARG A 52 3.635 -3.106 -13.666 1.00 0.00 C ATOM 709 CG ARG A 52 4.927 -2.383 -14.009 1.00 0.00 C ATOM 710 CD ARG A 52 6.076 -2.876 -13.140 1.00 0.00 C ATOM 711 NE ARG A 52 7.336 -2.205 -13.454 1.00 0.00 N ATOM 712 CZ ARG A 52 8.154 -2.582 -14.435 1.00 0.00 C ATOM 713 NH1 ARG A 52 9.286 -1.921 -14.645 1.00 0.00 N ATOM 714 NH2 ARG A 52 7.843 -3.619 -15.206 1.00 0.00 N ATOM 0 H ARG A 52 2.508 -0.933 -13.297 1.00 0.00 H new ATOM 0 HA ARG A 52 2.693 -2.626 -15.551 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.415 -2.952 -12.610 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.782 -4.177 -13.809 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.168 -2.541 -15.060 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.795 -1.310 -13.870 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.831 -2.712 -12.091 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.196 -3.951 -13.275 1.00 0.00 H new ATOM 0 HE ARG A 52 7.605 -1.400 -12.888 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.529 -1.125 -14.055 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.913 -2.209 -15.396 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.975 -4.130 -15.048 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.473 -3.904 -15.956 1.00 0.00 H new ATOM 728 N LEU A 53 0.538 -3.522 -13.229 1.00 0.00 N ATOM 729 CA LEU A 53 -0.568 -4.434 -12.933 1.00 0.00 C ATOM 730 C LEU A 53 -1.788 -4.173 -13.820 1.00 0.00 C ATOM 731 O LEU A 53 -2.451 -5.109 -14.270 1.00 0.00 O ATOM 732 CB LEU A 53 -0.959 -4.328 -11.454 1.00 0.00 C ATOM 733 CG LEU A 53 -1.659 -5.563 -10.875 1.00 0.00 C ATOM 734 CD1 LEU A 53 -1.086 -5.907 -9.508 1.00 0.00 C ATOM 735 CD2 LEU A 53 -3.160 -5.335 -10.778 1.00 0.00 C ATOM 0 H LEU A 53 0.674 -2.786 -12.536 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.221 -5.445 -13.147 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.060 -4.132 -10.870 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.614 -3.466 -11.329 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.482 -6.402 -11.548 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.594 -6.786 -9.111 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.020 -6.115 -9.602 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.233 -5.066 -8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.637 -6.224 -10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.357 -4.482 -10.129 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.563 -5.136 -11.771 1.00 0.00 H new ATOM 747 N SER A 54 -2.082 -2.901 -14.062 1.00 0.00 N ATOM 748 CA SER A 54 -3.235 -2.518 -14.875 1.00 0.00 C ATOM 749 C SER A 54 -2.856 -2.352 -16.348 1.00 0.00 C ATOM 750 O SER A 54 -1.760 -2.719 -16.765 1.00 0.00 O ATOM 751 CB SER A 54 -3.840 -1.215 -14.343 1.00 0.00 C ATOM 752 OG SER A 54 -3.866 -1.207 -12.925 1.00 0.00 O ATOM 0 H SER A 54 -1.538 -2.114 -13.707 1.00 0.00 H new ATOM 0 HA SER A 54 -3.972 -3.318 -14.807 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.259 -0.366 -14.704 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.852 -1.096 -14.729 1.00 0.00 H new ATOM 0 HG SER A 54 -2.963 -1.039 -12.582 1.00 0.00 H new ATOM 758 N SER A 55 -3.779 -1.801 -17.130 1.00 0.00 N ATOM 759 CA SER A 55 -3.546 -1.578 -18.549 1.00 0.00 C ATOM 760 C SER A 55 -4.033 -0.189 -18.951 1.00 0.00 C ATOM 761 O SER A 55 -4.907 0.376 -18.291 1.00 0.00 O ATOM 762 CB SER A 55 -4.258 -2.652 -19.378 1.00 0.00 C ATOM 763 OG SER A 55 -5.662 -2.605 -19.180 1.00 0.00 O ATOM 0 H SER A 55 -4.697 -1.501 -16.802 1.00 0.00 H new ATOM 0 HA SER A 55 -2.475 -1.642 -18.743 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.032 -2.509 -20.435 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.882 -3.637 -19.102 1.00 0.00 H new ATOM 0 HG SER A 55 -6.092 -3.299 -19.722 1.00 0.00 H new ATOM 769 N SER A 56 -3.463 0.341 -20.040 1.00 0.00 N ATOM 770 CA SER A 56 -3.806 1.672 -20.561 1.00 0.00 C ATOM 771 C SER A 56 -3.284 2.780 -19.640 1.00 0.00 C ATOM 772 O SER A 56 -2.904 2.531 -18.494 1.00 0.00 O ATOM 773 CB SER A 56 -5.322 1.818 -20.761 1.00 0.00 C ATOM 774 OG SER A 56 -5.629 2.943 -21.567 1.00 0.00 O ATOM 0 H SER A 56 -2.749 -0.141 -20.587 1.00 0.00 H new ATOM 0 HA SER A 56 -3.320 1.775 -21.531 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.718 0.915 -21.226 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.811 1.918 -19.792 1.00 0.00 H new ATOM 0 HG SER A 56 -6.600 3.010 -21.679 1.00 0.00 H new ATOM 780 N TRP A 57 -3.254 4.007 -20.151 1.00 0.00 N ATOM 781 CA TRP A 57 -2.769 5.141 -19.372 1.00 0.00 C ATOM 782 C TRP A 57 -3.897 6.110 -19.024 1.00 0.00 C ATOM 783 O TRP A 57 -3.652 7.195 -18.511 1.00 0.00 O ATOM 784 CB TRP A 57 -1.656 5.878 -20.125 1.00 0.00 C ATOM 785 CG TRP A 57 -0.403 5.066 -20.280 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.655 5.020 -19.415 1.00 0.00 C ATOM 787 CD2 TRP A 57 -0.071 4.193 -21.367 1.00 0.00 C ATOM 788 NE1 TRP A 57 1.619 4.164 -19.893 1.00 0.00 N ATOM 789 CE2 TRP A 57 1.197 3.646 -21.090 1.00 0.00 C ATOM 790 CE3 TRP A 57 -0.724 3.818 -22.546 1.00 0.00 C ATOM 791 CZ2 TRP A 57 1.822 2.744 -21.950 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -0.102 2.925 -23.396 1.00 0.00 C ATOM 793 CH2 TRP A 57 1.160 2.396 -23.096 1.00 0.00 C ATOM 0 H TRP A 57 -3.558 4.241 -21.096 1.00 0.00 H new ATOM 0 HA TRP A 57 -2.366 4.746 -18.440 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.021 6.161 -21.112 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.419 6.801 -19.596 1.00 0.00 H new ATOM 0 HD1 TRP A 57 0.723 5.575 -18.491 1.00 0.00 H new ATOM 0 HE1 TRP A 57 2.503 3.950 -19.432 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.697 4.220 -22.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 2.794 2.334 -21.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -0.598 2.629 -24.309 1.00 0.00 H new ATOM 0 HH2 TRP A 57 1.619 1.700 -23.782 1.00 0.00 H new ATOM 804 N LEU A 58 -5.135 5.719 -19.317 1.00 0.00 N ATOM 805 CA LEU A 58 -6.297 6.561 -19.017 1.00 0.00 C ATOM 806 C LEU A 58 -6.556 6.629 -17.511 1.00 0.00 C ATOM 807 O LEU A 58 -7.083 7.617 -17.000 1.00 0.00 O ATOM 808 CB LEU A 58 -7.543 6.032 -19.732 1.00 0.00 C ATOM 809 CG LEU A 58 -7.507 6.111 -21.261 1.00 0.00 C ATOM 810 CD1 LEU A 58 -8.720 5.413 -21.858 1.00 0.00 C ATOM 811 CD2 LEU A 58 -7.444 7.559 -21.724 1.00 0.00 C ATOM 0 H LEU A 58 -5.362 4.829 -19.760 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.078 7.567 -19.376 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.693 4.992 -19.442 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.409 6.590 -19.377 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.608 5.602 -21.609 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.679 5.478 -22.945 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.722 4.365 -21.557 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.630 5.895 -21.500 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.419 7.592 -22.813 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.323 8.094 -21.365 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.545 8.029 -21.326 1.00 0.00 H new ATOM 823 N ASP A 59 -6.169 5.564 -16.814 1.00 0.00 N ATOM 824 CA ASP A 59 -6.367 5.445 -15.364 1.00 0.00 C ATOM 825 C ASP A 59 -5.564 6.473 -14.562 1.00 0.00 C ATOM 826 O ASP A 59 -5.889 6.743 -13.406 1.00 0.00 O ATOM 827 CB ASP A 59 -6.009 4.033 -14.889 1.00 0.00 C ATOM 828 CG ASP A 59 -7.033 2.994 -15.311 1.00 0.00 C ATOM 829 OD1 ASP A 59 -8.134 3.387 -15.750 1.00 0.00 O ATOM 830 OD2 ASP A 59 -6.731 1.788 -15.200 1.00 0.00 O ATOM 0 H ASP A 59 -5.709 4.757 -17.234 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.423 5.645 -15.182 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.033 3.757 -15.287 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.922 4.031 -13.802 1.00 0.00 H new ATOM 835 N VAL A 60 -4.515 7.040 -15.166 1.00 0.00 N ATOM 836 CA VAL A 60 -3.663 8.014 -14.473 1.00 0.00 C ATOM 837 C VAL A 60 -4.430 9.267 -14.037 1.00 0.00 C ATOM 838 O VAL A 60 -3.975 9.994 -13.152 1.00 0.00 O ATOM 839 CB VAL A 60 -2.450 8.442 -15.329 1.00 0.00 C ATOM 840 CG1 VAL A 60 -1.657 7.228 -15.787 1.00 0.00 C ATOM 841 CG2 VAL A 60 -2.879 9.293 -16.517 1.00 0.00 C ATOM 0 H VAL A 60 -4.236 6.844 -16.127 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.308 7.496 -13.582 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.802 9.056 -14.703 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.808 7.554 -16.388 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.297 6.679 -14.917 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.297 6.580 -16.385 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.001 9.576 -17.097 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.561 8.722 -17.146 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.382 10.191 -16.158 1.00 0.00 H new ATOM 851 N ASP A 61 -5.581 9.518 -14.662 1.00 0.00 N ATOM 852 CA ASP A 61 -6.394 10.685 -14.325 1.00 0.00 C ATOM 853 C ASP A 61 -6.827 10.647 -12.857 1.00 0.00 C ATOM 854 O ASP A 61 -6.693 11.637 -12.139 1.00 0.00 O ATOM 855 CB ASP A 61 -7.615 10.752 -15.246 1.00 0.00 C ATOM 856 CG ASP A 61 -8.473 11.980 -15.002 1.00 0.00 C ATOM 857 OD1 ASP A 61 -8.196 13.027 -15.622 1.00 0.00 O ATOM 858 OD2 ASP A 61 -9.420 11.891 -14.195 1.00 0.00 O ATOM 0 H ASP A 61 -5.969 8.931 -15.401 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.791 11.581 -14.471 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.281 10.749 -16.284 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.221 9.857 -15.103 1.00 0.00 H new ATOM 863 N HIS A 62 -7.336 9.498 -12.418 1.00 0.00 N ATOM 864 CA HIS A 62 -7.761 9.327 -11.032 1.00 0.00 C ATOM 865 C HIS A 62 -6.548 9.207 -10.107 1.00 0.00 C ATOM 866 O HIS A 62 -6.617 9.577 -8.935 1.00 0.00 O ATOM 867 CB HIS A 62 -8.670 8.104 -10.886 1.00 0.00 C ATOM 868 CG HIS A 62 -9.635 8.218 -9.742 1.00 0.00 C ATOM 869 ND1 HIS A 62 -10.832 8.895 -9.816 1.00 0.00 N ATOM 870 CD2 HIS A 62 -9.557 7.736 -8.476 1.00 0.00 C ATOM 871 CE1 HIS A 62 -11.430 8.806 -8.620 1.00 0.00 C ATOM 872 NE2 HIS A 62 -10.697 8.112 -7.772 1.00 0.00 N ATOM 0 H HIS A 62 -7.464 8.672 -13.003 1.00 0.00 H new ATOM 0 HA HIS A 62 -8.330 10.210 -10.742 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.228 7.962 -11.811 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.054 7.216 -10.746 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.740 7.153 -8.078 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -12.387 9.245 -8.382 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -10.920 7.895 -6.800 1.00 0.00 H new ATOM 879 N ILE A 63 -5.437 8.698 -10.652 1.00 0.00 N ATOM 880 CA ILE A 63 -4.195 8.534 -9.889 1.00 0.00 C ATOM 881 C ILE A 63 -3.713 9.891 -9.357 1.00 0.00 C ATOM 882 O ILE A 63 -3.237 10.002 -8.229 1.00 0.00 O ATOM 883 CB ILE A 63 -3.081 7.878 -10.746 1.00 0.00 C ATOM 884 CG1 ILE A 63 -3.420 6.412 -11.035 1.00 0.00 C ATOM 885 CG2 ILE A 63 -1.732 7.975 -10.053 1.00 0.00 C ATOM 886 CD1 ILE A 63 -2.505 5.762 -12.053 1.00 0.00 C ATOM 0 H ILE A 63 -5.373 8.392 -11.623 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.409 7.872 -9.050 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.021 8.419 -11.690 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.372 5.847 -10.104 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.448 6.350 -11.392 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.969 7.507 -10.675 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.479 9.023 -9.895 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.779 7.464 -9.091 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.807 4.726 -12.205 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.571 6.301 -12.998 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.478 5.791 -11.690 1.00 0.00 H new ATOM 898 N GLU A 64 -3.809 10.914 -10.189 1.00 0.00 N ATOM 899 CA GLU A 64 -3.415 12.259 -9.791 1.00 0.00 C ATOM 900 C GLU A 64 -4.352 12.812 -8.707 1.00 0.00 C ATOM 901 O GLU A 64 -3.929 13.555 -7.825 1.00 0.00 O ATOM 902 CB GLU A 64 -3.415 13.191 -11.006 1.00 0.00 C ATOM 903 CG GLU A 64 -2.328 12.874 -12.026 1.00 0.00 C ATOM 904 CD GLU A 64 -0.929 12.959 -11.450 1.00 0.00 C ATOM 905 OE1 GLU A 64 -0.619 13.972 -10.787 1.00 0.00 O ATOM 906 OE2 GLU A 64 -0.141 12.012 -11.662 1.00 0.00 O ATOM 0 H GLU A 64 -4.156 10.841 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.408 12.207 -9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.387 13.134 -11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.290 14.218 -10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.491 11.872 -12.422 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.412 13.566 -12.864 1.00 0.00 H new ATOM 913 N LYS A 65 -5.631 12.451 -8.800 1.00 0.00 N ATOM 914 CA LYS A 65 -6.663 12.936 -7.870 1.00 0.00 C ATOM 915 C LYS A 65 -6.462 12.532 -6.396 1.00 0.00 C ATOM 916 O LYS A 65 -6.532 13.389 -5.514 1.00 0.00 O ATOM 917 CB LYS A 65 -8.026 12.424 -8.341 1.00 0.00 C ATOM 918 CG LYS A 65 -8.508 13.067 -9.633 1.00 0.00 C ATOM 919 CD LYS A 65 -9.834 12.477 -10.085 1.00 0.00 C ATOM 920 CE LYS A 65 -10.337 13.140 -11.354 1.00 0.00 C ATOM 921 NZ LYS A 65 -11.626 12.556 -11.814 1.00 0.00 N ATOM 0 H LYS A 65 -5.985 11.817 -9.517 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.594 14.024 -7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.970 11.345 -8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.763 12.606 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.617 14.142 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.760 12.925 -10.413 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.718 11.407 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.574 12.596 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.465 14.208 -11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.589 13.033 -12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.934 13.037 -12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.499 11.542 -12.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.347 12.681 -11.075 1.00 0.00 H new ATOM 935 N GLU A 66 -6.209 11.251 -6.109 1.00 0.00 N ATOM 936 CA GLU A 66 -6.053 10.820 -4.708 1.00 0.00 C ATOM 937 C GLU A 66 -4.613 10.911 -4.205 1.00 0.00 C ATOM 938 O GLU A 66 -4.358 10.612 -3.040 1.00 0.00 O ATOM 939 CB GLU A 66 -6.607 9.408 -4.454 1.00 0.00 C ATOM 940 CG GLU A 66 -7.852 9.077 -5.271 1.00 0.00 C ATOM 941 CD GLU A 66 -8.570 7.842 -4.765 1.00 0.00 C ATOM 942 OE1 GLU A 66 -9.452 7.986 -3.891 1.00 0.00 O ATOM 943 OE2 GLU A 66 -8.251 6.732 -5.240 1.00 0.00 O ATOM 0 H GLU A 66 -6.109 10.510 -6.803 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.650 11.530 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.831 8.677 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.842 9.305 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.535 9.926 -5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.569 8.927 -6.313 1.00 0.00 H new ATOM 950 N VAL A 67 -3.668 11.282 -5.069 1.00 0.00 N ATOM 951 CA VAL A 67 -2.264 11.392 -4.655 1.00 0.00 C ATOM 952 C VAL A 67 -2.105 12.326 -3.439 1.00 0.00 C ATOM 953 O VAL A 67 -1.194 12.158 -2.636 1.00 0.00 O ATOM 954 CB VAL A 67 -1.352 11.861 -5.819 1.00 0.00 C ATOM 955 CG1 VAL A 67 -1.464 13.361 -6.057 1.00 0.00 C ATOM 956 CG2 VAL A 67 0.097 11.464 -5.559 1.00 0.00 C ATOM 0 H VAL A 67 -3.843 11.509 -6.048 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.945 10.391 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.694 11.361 -6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.810 13.649 -6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.494 13.614 -6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.168 13.896 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.721 11.802 -6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.440 11.926 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.167 10.380 -5.471 1.00 0.00 H new ATOM 966 N ASP A 68 -3.005 13.301 -3.308 1.00 0.00 N ATOM 967 CA ASP A 68 -2.967 14.236 -2.180 1.00 0.00 C ATOM 968 C ASP A 68 -3.765 13.698 -0.988 1.00 0.00 C ATOM 969 O ASP A 68 -3.775 14.297 0.085 1.00 0.00 O ATOM 970 CB ASP A 68 -3.518 15.607 -2.588 1.00 0.00 C ATOM 971 CG ASP A 68 -2.591 16.361 -3.521 1.00 0.00 C ATOM 972 OD1 ASP A 68 -1.411 15.969 -3.634 1.00 0.00 O ATOM 973 OD2 ASP A 68 -3.047 17.346 -4.139 1.00 0.00 O ATOM 0 H ASP A 68 -3.767 13.465 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.924 14.345 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.485 15.475 -3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.690 16.205 -1.693 1.00 0.00 H new ATOM 978 N GLN A 69 -4.425 12.560 -1.189 1.00 0.00 N ATOM 979 CA GLN A 69 -5.252 11.942 -0.152 1.00 0.00 C ATOM 980 C GLN A 69 -4.587 10.696 0.442 1.00 0.00 C ATOM 981 O GLN A 69 -5.263 9.839 1.009 1.00 0.00 O ATOM 982 CB GLN A 69 -6.626 11.570 -0.724 1.00 0.00 C ATOM 983 CG GLN A 69 -7.409 12.752 -1.277 1.00 0.00 C ATOM 984 CD GLN A 69 -7.692 13.818 -0.235 1.00 0.00 C ATOM 985 OE1 GLN A 69 -7.260 14.962 -0.369 1.00 0.00 O ATOM 986 NE2 GLN A 69 -8.423 13.450 0.808 1.00 0.00 N ATOM 0 H GLN A 69 -4.403 12.042 -2.068 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.371 12.672 0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.491 10.835 -1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.216 11.091 0.058 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.851 13.197 -2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.353 12.394 -1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.762 12.491 0.880 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.647 14.126 1.538 1.00 0.00 H new ATOM 995 N GLY A 70 -3.267 10.604 0.320 1.00 0.00 N ATOM 996 CA GLY A 70 -2.549 9.451 0.848 1.00 0.00 C ATOM 997 C GLY A 70 -2.113 8.468 -0.218 1.00 0.00 C ATOM 998 O GLY A 70 -1.747 7.344 0.131 1.00 0.00 O ATOM 0 H GLY A 70 -2.680 11.304 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.670 9.798 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.185 8.935 1.567 1.00 0.00 H new ATOM 1002 N LYS A 71 -2.212 8.894 -1.500 1.00 0.00 N ATOM 1003 CA LYS A 71 -1.789 8.116 -2.689 1.00 0.00 C ATOM 1004 C LYS A 71 -2.978 7.609 -3.500 1.00 0.00 C ATOM 1005 O LYS A 71 -4.056 7.351 -2.968 1.00 0.00 O ATOM 1006 CB LYS A 71 -0.883 6.927 -2.334 1.00 0.00 C ATOM 1007 CG LYS A 71 -0.815 5.840 -3.396 1.00 0.00 C ATOM 1008 CD LYS A 71 0.371 6.040 -4.322 1.00 0.00 C ATOM 1009 CE LYS A 71 1.612 5.431 -3.732 1.00 0.00 C ATOM 1010 NZ LYS A 71 1.437 3.991 -3.407 1.00 0.00 N ATOM 0 H LYS A 71 -2.596 9.807 -1.741 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.216 8.818 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.125 7.298 -2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.236 6.484 -1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.742 4.864 -2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.737 5.841 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.163 5.587 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.529 7.105 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.438 5.544 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.885 5.974 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.947 3.769 -2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.426 3.784 -3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.816 3.411 -4.183 1.00 0.00 H new ATOM 1024 N SER A 72 -2.765 7.496 -4.804 1.00 0.00 N ATOM 1025 CA SER A 72 -3.770 6.975 -5.714 1.00 0.00 C ATOM 1026 C SER A 72 -3.151 5.968 -6.671 1.00 0.00 C ATOM 1027 O SER A 72 -3.855 5.182 -7.284 1.00 0.00 O ATOM 1028 CB SER A 72 -4.406 8.093 -6.509 1.00 0.00 C ATOM 1029 OG SER A 72 -5.669 7.699 -7.018 1.00 0.00 O ATOM 0 H SER A 72 -1.891 7.763 -5.258 1.00 0.00 H new ATOM 0 HA SER A 72 -4.537 6.482 -5.117 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.523 8.973 -5.876 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.751 8.377 -7.332 1.00 0.00 H new ATOM 0 HG SER A 72 -5.985 8.366 -7.662 1.00 0.00 H new ATOM 1035 N GLY A 73 -1.836 6.013 -6.827 1.00 0.00 N ATOM 1036 CA GLY A 73 -1.187 5.068 -7.716 1.00 0.00 C ATOM 1037 C GLY A 73 -1.408 3.637 -7.271 1.00 0.00 C ATOM 1038 O GLY A 73 -2.116 2.879 -7.925 1.00 0.00 O ATOM 0 H GLY A 73 -1.214 6.675 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.571 5.198 -8.728 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.118 5.277 -7.751 1.00 0.00 H new ATOM 1042 N THR A 74 -0.829 3.270 -6.139 1.00 0.00 N ATOM 1043 CA THR A 74 -0.990 1.928 -5.609 1.00 0.00 C ATOM 1044 C THR A 74 -2.230 1.834 -4.718 1.00 0.00 C ATOM 1045 O THR A 74 -2.901 0.801 -4.679 1.00 0.00 O ATOM 1046 CB THR A 74 0.253 1.483 -4.816 1.00 0.00 C ATOM 1047 OG1 THR A 74 1.440 1.837 -5.537 1.00 0.00 O ATOM 1048 CG2 THR A 74 0.242 -0.021 -4.575 1.00 0.00 C ATOM 0 H THR A 74 -0.244 3.883 -5.571 1.00 0.00 H new ATOM 0 HA THR A 74 -1.115 1.260 -6.461 1.00 0.00 H new ATOM 0 HB THR A 74 0.237 1.990 -3.851 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.254 1.824 -6.499 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.131 -0.306 -4.013 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.648 -0.292 -4.007 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.235 -0.543 -5.532 1.00 0.00 H new ATOM 1056 N ARG A 75 -2.532 2.928 -4.008 1.00 0.00 N ATOM 1057 CA ARG A 75 -3.666 2.957 -3.084 1.00 0.00 C ATOM 1058 C ARG A 75 -4.990 2.719 -3.803 1.00 0.00 C ATOM 1059 O ARG A 75 -5.814 1.930 -3.341 1.00 0.00 O ATOM 1060 CB ARG A 75 -3.718 4.285 -2.323 1.00 0.00 C ATOM 1061 CG ARG A 75 -4.772 4.295 -1.229 1.00 0.00 C ATOM 1062 CD ARG A 75 -4.651 5.496 -0.312 1.00 0.00 C ATOM 1063 NE ARG A 75 -5.695 5.494 0.710 1.00 0.00 N ATOM 1064 CZ ARG A 75 -5.689 6.290 1.774 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -6.695 6.251 2.637 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -4.672 7.113 1.982 1.00 0.00 N ATOM 0 H ARG A 75 -2.007 3.801 -4.057 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.517 2.145 -2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.741 4.485 -1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.922 5.093 -3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.762 4.289 -1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.686 3.382 -0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.672 5.493 0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.716 6.412 -0.899 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.473 4.844 0.600 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.474 5.610 2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.690 6.862 3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.892 7.136 1.325 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.669 7.723 2.799 1.00 0.00 H new ATOM 1080 N GLU A 76 -5.190 3.393 -4.934 1.00 0.00 N ATOM 1081 CA GLU A 76 -6.418 3.235 -5.705 1.00 0.00 C ATOM 1082 C GLU A 76 -6.566 1.797 -6.182 1.00 0.00 C ATOM 1083 O GLU A 76 -7.657 1.235 -6.144 1.00 0.00 O ATOM 1084 CB GLU A 76 -6.431 4.195 -6.899 1.00 0.00 C ATOM 1085 CG GLU A 76 -7.670 4.083 -7.769 1.00 0.00 C ATOM 1086 CD GLU A 76 -7.604 4.969 -8.996 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -6.617 5.726 -9.133 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -8.530 4.897 -9.829 1.00 0.00 O ATOM 0 H GLU A 76 -4.520 4.050 -5.334 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.262 3.475 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.350 5.218 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.550 4.007 -7.513 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.798 3.046 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.548 4.349 -7.180 1.00 0.00 H new ATOM 1095 N LEU A 77 -5.460 1.210 -6.630 1.00 0.00 N ATOM 1096 CA LEU A 77 -5.455 -0.167 -7.111 1.00 0.00 C ATOM 1097 C LEU A 77 -5.859 -1.136 -5.998 1.00 0.00 C ATOM 1098 O LEU A 77 -6.683 -2.026 -6.207 1.00 0.00 O ATOM 1099 CB LEU A 77 -4.063 -0.529 -7.643 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.911 -1.956 -8.175 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.833 -2.185 -9.367 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -2.464 -2.229 -8.556 1.00 0.00 C ATOM 0 H LEU A 77 -4.551 1.670 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.183 -0.252 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.806 0.167 -8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.337 -0.379 -6.844 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.196 -2.651 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.710 -3.205 -9.731 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.868 -2.031 -9.061 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.581 -1.483 -10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.373 -3.248 -8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.153 -1.527 -9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.828 -2.108 -7.679 1.00 0.00 H new ATOM 1114 N LEU A 78 -5.275 -0.955 -4.813 1.00 0.00 N ATOM 1115 CA LEU A 78 -5.576 -1.814 -3.668 1.00 0.00 C ATOM 1116 C LEU A 78 -7.021 -1.604 -3.181 1.00 0.00 C ATOM 1117 O LEU A 78 -7.718 -2.558 -2.846 1.00 0.00 O ATOM 1118 CB LEU A 78 -4.569 -1.562 -2.526 1.00 0.00 C ATOM 1119 CG LEU A 78 -3.109 -1.890 -2.860 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -2.208 -1.611 -1.668 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.967 -3.336 -3.312 1.00 0.00 C ATOM 0 H LEU A 78 -4.592 -0.222 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.482 -2.852 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.631 -0.514 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.869 -2.154 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.799 -1.245 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.177 -1.851 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.279 -0.558 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.522 -2.224 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.922 -3.544 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.302 -4.001 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.575 -3.501 -4.202 1.00 0.00 H new ATOM 1133 N TRP A 79 -7.470 -0.352 -3.188 1.00 0.00 N ATOM 1134 CA TRP A 79 -8.823 0.005 -2.733 1.00 0.00 C ATOM 1135 C TRP A 79 -9.905 -0.240 -3.791 1.00 0.00 C ATOM 1136 O TRP A 79 -11.088 -0.048 -3.511 1.00 0.00 O ATOM 1137 CB TRP A 79 -8.871 1.465 -2.276 1.00 0.00 C ATOM 1138 CG TRP A 79 -8.359 1.668 -0.881 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -7.101 2.045 -0.517 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -9.100 1.520 0.335 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -7.010 2.133 0.852 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -8.226 1.816 1.398 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -10.420 1.163 0.631 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -8.626 1.766 2.732 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -10.817 1.114 1.954 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -9.922 1.414 2.989 1.00 0.00 C ATOM 0 H TRP A 79 -6.916 0.443 -3.506 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.041 -0.655 -1.894 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.283 2.073 -2.963 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -9.899 1.823 -2.334 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.293 2.246 -1.204 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -6.174 2.392 1.376 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -11.117 0.930 -0.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.938 1.997 3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -11.834 0.840 2.194 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.263 1.366 4.013 1.00 0.00 H new ATOM 1157 N SER A 80 -9.508 -0.636 -4.998 1.00 0.00 N ATOM 1158 CA SER A 80 -10.468 -0.869 -6.085 1.00 0.00 C ATOM 1159 C SER A 80 -11.513 -1.927 -5.721 1.00 0.00 C ATOM 1160 O SER A 80 -12.685 -1.783 -6.066 1.00 0.00 O ATOM 1161 CB SER A 80 -9.743 -1.290 -7.367 1.00 0.00 C ATOM 1162 OG SER A 80 -8.969 -0.227 -7.894 1.00 0.00 O ATOM 0 H SER A 80 -8.534 -0.803 -5.252 1.00 0.00 H new ATOM 0 HA SER A 80 -10.988 0.075 -6.250 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.098 -2.144 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.472 -1.615 -8.110 1.00 0.00 H new ATOM 0 HG SER A 80 -8.670 0.354 -7.163 1.00 0.00 H new ATOM 1168 N TRP A 81 -11.096 -2.995 -5.046 1.00 0.00 N ATOM 1169 CA TRP A 81 -12.034 -4.044 -4.656 1.00 0.00 C ATOM 1170 C TRP A 81 -12.704 -3.709 -3.320 1.00 0.00 C ATOM 1171 O TRP A 81 -13.765 -3.089 -3.288 1.00 0.00 O ATOM 1172 CB TRP A 81 -11.315 -5.392 -4.575 1.00 0.00 C ATOM 1173 CG TRP A 81 -11.068 -6.015 -5.915 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -9.889 -6.040 -6.604 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -12.024 -6.706 -6.730 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -10.052 -6.703 -7.796 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -11.354 -7.121 -7.896 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -13.380 -7.013 -6.585 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -11.996 -7.828 -8.912 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -14.015 -7.714 -7.592 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -13.323 -8.115 -8.742 1.00 0.00 C ATOM 0 H TRP A 81 -10.130 -3.156 -4.761 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.813 -4.109 -5.416 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -10.362 -5.257 -4.064 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.908 -6.076 -3.968 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.963 -5.602 -6.261 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -9.324 -6.859 -8.493 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.921 -6.708 -5.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -11.465 -8.138 -9.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -15.062 -7.957 -7.491 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -13.848 -8.662 -9.511 1.00 0.00 H new ATOM 1192 N ALA A 82 -12.089 -4.136 -2.220 1.00 0.00 N ATOM 1193 CA ALA A 82 -12.617 -3.850 -0.889 1.00 0.00 C ATOM 1194 C ALA A 82 -11.741 -2.810 -0.200 1.00 0.00 C ATOM 1195 O ALA A 82 -12.009 -1.612 -0.262 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.704 -5.127 -0.059 1.00 0.00 C ATOM 0 H ALA A 82 -11.226 -4.680 -2.224 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.625 -3.448 -0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.100 -4.892 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.364 -5.839 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.710 -5.563 0.042 1.00 0.00 H new ATOM 1202 N GLN A 83 -10.693 -3.287 0.462 1.00 0.00 N ATOM 1203 CA GLN A 83 -9.734 -2.412 1.123 1.00 0.00 C ATOM 1204 C GLN A 83 -8.394 -2.555 0.416 1.00 0.00 C ATOM 1205 O GLN A 83 -7.792 -1.573 -0.008 1.00 0.00 O ATOM 1206 CB GLN A 83 -9.619 -2.744 2.614 1.00 0.00 C ATOM 1207 CG GLN A 83 -10.925 -2.554 3.370 1.00 0.00 C ATOM 1208 CD GLN A 83 -10.776 -2.771 4.863 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -9.959 -2.124 5.514 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -11.568 -3.682 5.413 1.00 0.00 N ATOM 0 H GLN A 83 -10.486 -4.281 0.555 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.072 -1.377 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.288 -3.777 2.726 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.851 -2.113 3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.301 -1.547 3.190 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.670 -3.247 2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.232 -4.196 4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.513 -3.868 6.414 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.925 -3.796 0.320 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.700 -4.095 -0.413 1.00 0.00 C ATOM 1221 C LYS A 84 -6.953 -5.288 -1.340 1.00 0.00 C ATOM 1222 O LYS A 84 -6.562 -5.272 -2.506 1.00 0.00 O ATOM 1223 CB LYS A 84 -5.528 -4.377 0.544 1.00 0.00 C ATOM 1224 CG LYS A 84 -4.362 -5.104 -0.113 1.00 0.00 C ATOM 1225 CD LYS A 84 -3.084 -5.024 0.707 1.00 0.00 C ATOM 1226 CE LYS A 84 -3.227 -5.734 2.040 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.795 -7.101 1.881 1.00 0.00 N ATOM 0 H LYS A 84 -8.375 -4.609 0.740 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.420 -3.226 -1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.171 -3.433 0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.890 -4.973 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.629 -6.150 -0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.183 -4.678 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.262 -5.468 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.826 -3.979 0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.252 -5.800 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.870 -5.148 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.307 -7.757 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.810 -7.084 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.665 -7.419 0.899 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.637 -6.308 -0.793 1.00 0.00 N ATOM 1242 CA ASN A 85 -8.004 -7.535 -1.523 1.00 0.00 C ATOM 1243 C ASN A 85 -6.818 -8.108 -2.297 1.00 0.00 C ATOM 1244 O ASN A 85 -6.976 -8.674 -3.381 1.00 0.00 O ATOM 1245 CB ASN A 85 -9.177 -7.279 -2.474 1.00 0.00 C ATOM 1246 CG ASN A 85 -9.918 -8.557 -2.822 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -10.128 -9.415 -1.965 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -10.316 -8.697 -4.079 1.00 0.00 N ATOM 0 H ASN A 85 -7.954 -6.304 0.177 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.309 -8.270 -0.778 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.869 -6.573 -2.014 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.808 -6.814 -3.388 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.816 -9.539 -4.365 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.123 -7.963 -4.760 1.00 0.00 H new ATOM 1255 N LYS A 86 -5.636 -7.970 -1.726 1.00 0.00 N ATOM 1256 CA LYS A 86 -4.416 -8.447 -2.351 1.00 0.00 C ATOM 1257 C LYS A 86 -3.522 -9.081 -1.305 1.00 0.00 C ATOM 1258 O LYS A 86 -3.793 -8.980 -0.110 1.00 0.00 O ATOM 1259 CB LYS A 86 -3.677 -7.288 -3.032 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.614 -7.390 -4.550 1.00 0.00 C ATOM 1261 CD LYS A 86 -4.926 -6.987 -5.200 1.00 0.00 C ATOM 1262 CE LYS A 86 -5.115 -7.669 -6.546 1.00 0.00 C ATOM 1263 NZ LYS A 86 -3.971 -7.415 -7.466 1.00 0.00 N ATOM 0 H LYS A 86 -5.494 -7.526 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.674 -9.189 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.167 -6.352 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.661 -7.240 -2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.813 -6.752 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.367 -8.413 -4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.754 -7.246 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.950 -5.905 -5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.228 -8.743 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.037 -7.313 -7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.218 -7.735 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.760 -6.397 -7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.135 -7.936 -7.132 1.00 0.00 H new ATOM 1277 N THR A 87 -2.460 -9.729 -1.741 1.00 0.00 N ATOM 1278 CA THR A 87 -1.538 -10.348 -0.811 1.00 0.00 C ATOM 1279 C THR A 87 -0.137 -9.802 -1.026 1.00 0.00 C ATOM 1280 O THR A 87 0.179 -9.276 -2.099 1.00 0.00 O ATOM 1281 CB THR A 87 -1.519 -11.883 -0.936 1.00 0.00 C ATOM 1282 OG1 THR A 87 -1.045 -12.269 -2.233 1.00 0.00 O ATOM 1283 CG2 THR A 87 -2.906 -12.465 -0.707 1.00 0.00 C ATOM 0 H THR A 87 -2.216 -9.840 -2.725 1.00 0.00 H new ATOM 0 HA THR A 87 -1.884 -10.104 0.193 1.00 0.00 H new ATOM 0 HB THR A 87 -0.846 -12.274 -0.173 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.036 -13.247 -2.300 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.865 -13.550 -0.801 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.251 -12.200 0.292 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.596 -12.062 -1.448 1.00 0.00 H new ATOM 1291 N ILE A 88 0.696 -9.929 -0.003 1.00 0.00 N ATOM 1292 CA ILE A 88 2.067 -9.441 -0.052 1.00 0.00 C ATOM 1293 C ILE A 88 2.849 -10.108 -1.188 1.00 0.00 C ATOM 1294 O ILE A 88 3.648 -9.457 -1.863 1.00 0.00 O ATOM 1295 CB ILE A 88 2.753 -9.639 1.325 1.00 0.00 C ATOM 1296 CG1 ILE A 88 2.587 -8.365 2.169 1.00 0.00 C ATOM 1297 CG2 ILE A 88 4.223 -10.011 1.183 1.00 0.00 C ATOM 1298 CD1 ILE A 88 1.194 -8.180 2.729 1.00 0.00 C ATOM 0 H ILE A 88 0.442 -10.371 0.881 1.00 0.00 H new ATOM 0 HA ILE A 88 2.054 -8.372 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 88 2.267 -10.473 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.299 -8.392 2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.840 -7.499 1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.663 -10.140 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.310 -10.942 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.749 -9.218 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.156 -7.260 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.477 -8.120 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.944 -9.026 3.369 1.00 0.00 H new ATOM 1310 N GLY A 89 2.600 -11.398 -1.405 1.00 0.00 N ATOM 1311 CA GLY A 89 3.269 -12.123 -2.474 1.00 0.00 C ATOM 1312 C GLY A 89 2.939 -11.573 -3.855 1.00 0.00 C ATOM 1313 O GLY A 89 3.808 -11.499 -4.724 1.00 0.00 O ATOM 0 H GLY A 89 1.945 -11.956 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.347 -12.079 -2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.983 -13.174 -2.428 1.00 0.00 H new ATOM 1317 N ASP A 90 1.674 -11.197 -4.057 1.00 0.00 N ATOM 1318 CA ASP A 90 1.218 -10.655 -5.341 1.00 0.00 C ATOM 1319 C ASP A 90 1.916 -9.338 -5.685 1.00 0.00 C ATOM 1320 O ASP A 90 2.379 -9.149 -6.809 1.00 0.00 O ATOM 1321 CB ASP A 90 -0.299 -10.447 -5.322 1.00 0.00 C ATOM 1322 CG ASP A 90 -0.840 -9.989 -6.662 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -0.739 -10.762 -7.637 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -1.374 -8.863 -6.732 1.00 0.00 O ATOM 0 H ASP A 90 0.945 -11.258 -3.346 1.00 0.00 H new ATOM 0 HA ASP A 90 1.477 -11.382 -6.110 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.787 -11.379 -5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.552 -9.709 -4.561 1.00 0.00 H new ATOM 1329 N LEU A 91 1.989 -8.432 -4.711 1.00 0.00 N ATOM 1330 CA LEU A 91 2.632 -7.130 -4.919 1.00 0.00 C ATOM 1331 C LEU A 91 4.153 -7.267 -4.963 1.00 0.00 C ATOM 1332 O LEU A 91 4.840 -6.439 -5.553 1.00 0.00 O ATOM 1333 CB LEU A 91 2.235 -6.142 -3.816 1.00 0.00 C ATOM 1334 CG LEU A 91 1.270 -5.018 -4.230 1.00 0.00 C ATOM 1335 CD1 LEU A 91 1.880 -4.156 -5.322 1.00 0.00 C ATOM 1336 CD2 LEU A 91 -0.062 -5.594 -4.688 1.00 0.00 C ATOM 0 H LEU A 91 1.613 -8.572 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 91 2.288 -6.746 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.778 -6.703 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.143 -5.686 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 91 1.092 -4.389 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.179 -3.368 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.804 -3.708 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.095 -4.773 -6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.730 -4.782 -4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.100 -6.251 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.512 -6.162 -3.874 1.00 0.00 H new ATOM 1348 N LEU A 92 4.669 -8.325 -4.345 1.00 0.00 N ATOM 1349 CA LEU A 92 6.108 -8.578 -4.301 1.00 0.00 C ATOM 1350 C LEU A 92 6.687 -8.711 -5.713 1.00 0.00 C ATOM 1351 O LEU A 92 7.802 -8.256 -5.979 1.00 0.00 O ATOM 1352 CB LEU A 92 6.398 -9.846 -3.489 1.00 0.00 C ATOM 1353 CG LEU A 92 7.878 -10.208 -3.338 1.00 0.00 C ATOM 1354 CD1 LEU A 92 8.628 -9.109 -2.599 1.00 0.00 C ATOM 1355 CD2 LEU A 92 8.026 -11.537 -2.613 1.00 0.00 C ATOM 0 H LEU A 92 4.108 -9.027 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 92 6.587 -7.728 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.968 -9.726 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.883 -10.684 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 92 8.312 -10.306 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.678 -9.386 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.549 -8.176 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.195 -8.976 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.084 -11.781 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.575 -11.464 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.525 -12.320 -3.182 1.00 0.00 H new ATOM 1367 N GLN A 93 5.924 -9.336 -6.605 1.00 0.00 N ATOM 1368 CA GLN A 93 6.359 -9.544 -7.986 1.00 0.00 C ATOM 1369 C GLN A 93 6.612 -8.217 -8.710 1.00 0.00 C ATOM 1370 O GLN A 93 7.591 -8.086 -9.444 1.00 0.00 O ATOM 1371 CB GLN A 93 5.305 -10.354 -8.742 1.00 0.00 C ATOM 1372 CG GLN A 93 5.203 -11.799 -8.281 1.00 0.00 C ATOM 1373 CD GLN A 93 4.063 -12.543 -8.948 1.00 0.00 C ATOM 1374 OE1 GLN A 93 4.183 -12.992 -10.088 1.00 0.00 O ATOM 1375 NE2 GLN A 93 2.950 -12.674 -8.242 1.00 0.00 N ATOM 0 H GLN A 93 4.998 -9.709 -6.397 1.00 0.00 H new ATOM 0 HA GLN A 93 7.301 -10.092 -7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.334 -9.873 -8.622 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.540 -10.336 -9.806 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.141 -12.312 -8.494 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.065 -11.823 -7.200 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.895 -12.286 -7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.148 -13.163 -8.640 1.00 0.00 H new ATOM 1384 N VAL A 94 5.737 -7.232 -8.505 1.00 0.00 N ATOM 1385 CA VAL A 94 5.905 -5.930 -9.147 1.00 0.00 C ATOM 1386 C VAL A 94 6.865 -5.040 -8.351 1.00 0.00 C ATOM 1387 O VAL A 94 7.465 -4.115 -8.902 1.00 0.00 O ATOM 1388 CB VAL A 94 4.561 -5.199 -9.373 1.00 0.00 C ATOM 1389 CG1 VAL A 94 3.740 -5.917 -10.434 1.00 0.00 C ATOM 1390 CG2 VAL A 94 3.771 -5.082 -8.082 1.00 0.00 C ATOM 0 H VAL A 94 4.915 -7.310 -7.907 1.00 0.00 H new ATOM 0 HA VAL A 94 6.337 -6.126 -10.128 1.00 0.00 H new ATOM 0 HB VAL A 94 4.783 -4.190 -9.721 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.797 -5.391 -10.582 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.295 -5.937 -11.372 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.539 -6.938 -10.109 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.832 -4.563 -8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.562 -6.078 -7.692 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.351 -4.520 -7.350 1.00 0.00 H new ATOM 1400 N LEU A 95 7.005 -5.328 -7.053 1.00 0.00 N ATOM 1401 CA LEU A 95 7.916 -4.576 -6.188 1.00 0.00 C ATOM 1402 C LEU A 95 9.350 -4.761 -6.663 1.00 0.00 C ATOM 1403 O LEU A 95 10.142 -3.818 -6.673 1.00 0.00 O ATOM 1404 CB LEU A 95 7.790 -5.042 -4.732 1.00 0.00 C ATOM 1405 CG LEU A 95 6.945 -4.154 -3.806 1.00 0.00 C ATOM 1406 CD1 LEU A 95 5.689 -3.662 -4.506 1.00 0.00 C ATOM 1407 CD2 LEU A 95 6.580 -4.914 -2.541 1.00 0.00 C ATOM 0 H LEU A 95 6.499 -6.076 -6.580 1.00 0.00 H new ATOM 0 HA LEU A 95 7.649 -3.521 -6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.362 -6.045 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.792 -5.122 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 95 7.542 -3.282 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.113 -3.037 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.967 -3.080 -5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.085 -4.516 -4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.981 -4.275 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.007 -5.803 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.490 -5.210 -2.019 1.00 0.00 H new ATOM 1419 N GLN A 96 9.673 -5.996 -7.043 1.00 0.00 N ATOM 1420 CA GLN A 96 11.000 -6.335 -7.551 1.00 0.00 C ATOM 1421 C GLN A 96 11.261 -5.631 -8.883 1.00 0.00 C ATOM 1422 O GLN A 96 12.378 -5.192 -9.152 1.00 0.00 O ATOM 1423 CB GLN A 96 11.135 -7.851 -7.727 1.00 0.00 C ATOM 1424 CG GLN A 96 11.173 -8.616 -6.413 1.00 0.00 C ATOM 1425 CD GLN A 96 11.328 -10.112 -6.617 1.00 0.00 C ATOM 1426 OE1 GLN A 96 10.581 -10.894 -5.851 1.00 0.00 O flip ATOM 1427 NE2 GLN A 96 12.111 -10.558 -7.454 1.00 0.00 N flip ATOM 0 H GLN A 96 9.027 -6.784 -7.008 1.00 0.00 H new ATOM 0 HA GLN A 96 11.739 -5.997 -6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.300 -8.215 -8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 96 12.045 -8.064 -8.288 1.00 0.00 H new ATOM 0 HG2 GLN A 96 12.000 -8.248 -5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.256 -8.421 -5.856 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.667 -9.920 -8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 96 12.204 -11.566 -7.579 1.00 0.00 H new ATOM 1436 N GLU A 97 10.217 -5.538 -9.707 1.00 0.00 N ATOM 1437 CA GLU A 97 10.310 -4.900 -11.018 1.00 0.00 C ATOM 1438 C GLU A 97 10.692 -3.423 -10.902 1.00 0.00 C ATOM 1439 O GLU A 97 11.484 -2.919 -11.698 1.00 0.00 O ATOM 1440 CB GLU A 97 8.975 -5.033 -11.759 1.00 0.00 C ATOM 1441 CG GLU A 97 8.684 -6.444 -12.253 1.00 0.00 C ATOM 1442 CD GLU A 97 9.573 -6.854 -13.412 1.00 0.00 C ATOM 1443 OE1 GLU A 97 9.193 -6.586 -14.572 1.00 0.00 O ATOM 1444 OE2 GLU A 97 10.647 -7.435 -13.159 1.00 0.00 O ATOM 0 H GLU A 97 9.290 -5.900 -9.486 1.00 0.00 H new ATOM 0 HA GLU A 97 11.095 -5.406 -11.579 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.169 -4.717 -11.096 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.973 -4.352 -12.610 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.818 -7.147 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.640 -6.509 -12.560 1.00 0.00 H new ATOM 1451 N MET A 98 10.123 -2.731 -9.918 1.00 0.00 N ATOM 1452 CA MET A 98 10.432 -1.317 -9.713 1.00 0.00 C ATOM 1453 C MET A 98 11.624 -1.132 -8.778 1.00 0.00 C ATOM 1454 O MET A 98 12.181 -0.039 -8.685 1.00 0.00 O ATOM 1455 CB MET A 98 9.211 -0.563 -9.182 1.00 0.00 C ATOM 1456 CG MET A 98 8.205 -0.215 -10.268 1.00 0.00 C ATOM 1457 SD MET A 98 8.897 0.909 -11.498 1.00 0.00 S ATOM 1458 CE MET A 98 7.538 1.047 -12.655 1.00 0.00 C ATOM 0 H MET A 98 9.452 -3.121 -9.256 1.00 0.00 H new ATOM 0 HA MET A 98 10.702 -0.899 -10.683 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.720 -1.169 -8.421 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.542 0.354 -8.694 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.872 -1.129 -10.759 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.325 0.242 -9.814 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.874 0.749 -13.648 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.723 0.397 -12.338 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.189 2.079 -12.685 1.00 0.00 H new ATOM 1468 N GLY A 99 12.018 -2.204 -8.098 1.00 0.00 N ATOM 1469 CA GLY A 99 13.155 -2.136 -7.195 1.00 0.00 C ATOM 1470 C GLY A 99 12.886 -1.335 -5.931 1.00 0.00 C ATOM 1471 O GLY A 99 13.762 -0.613 -5.457 1.00 0.00 O ATOM 0 H GLY A 99 11.571 -3.119 -8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.448 -3.149 -6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.000 -1.693 -7.722 1.00 0.00 H new ATOM 1475 N HIS A 100 11.680 -1.449 -5.381 1.00 0.00 N ATOM 1476 CA HIS A 100 11.343 -0.717 -4.162 1.00 0.00 C ATOM 1477 C HIS A 100 11.949 -1.414 -2.942 1.00 0.00 C ATOM 1478 O HIS A 100 11.372 -2.352 -2.389 1.00 0.00 O ATOM 1479 CB HIS A 100 9.824 -0.584 -4.005 1.00 0.00 C ATOM 1480 CG HIS A 100 9.413 0.410 -2.959 1.00 0.00 C ATOM 1481 ND1 HIS A 100 8.146 0.485 -2.427 1.00 0.00 N ATOM 1482 CD2 HIS A 100 10.138 1.374 -2.331 1.00 0.00 C ATOM 1483 CE1 HIS A 100 8.140 1.466 -1.514 1.00 0.00 C ATOM 1484 NE2 HIS A 100 9.325 2.037 -1.421 1.00 0.00 N ATOM 0 H HIS A 100 10.930 -2.032 -5.752 1.00 0.00 H new ATOM 0 HA HIS A 100 11.763 0.286 -4.238 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.392 -0.291 -4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.407 -1.559 -3.752 1.00 0.00 H new ATOM 0 HD1 HIS A 100 7.352 -0.102 -2.682 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.181 1.590 -2.511 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.277 1.752 -0.931 1.00 0.00 H new ATOM 1491 N ARG A 101 13.125 -0.938 -2.543 1.00 0.00 N ATOM 1492 CA ARG A 101 13.864 -1.493 -1.407 1.00 0.00 C ATOM 1493 C ARG A 101 13.137 -1.316 -0.075 1.00 0.00 C ATOM 1494 O ARG A 101 13.127 -2.228 0.752 1.00 0.00 O ATOM 1495 CB ARG A 101 15.228 -0.816 -1.322 1.00 0.00 C ATOM 1496 CG ARG A 101 16.168 -1.185 -2.459 1.00 0.00 C ATOM 1497 CD ARG A 101 17.456 -0.381 -2.401 1.00 0.00 C ATOM 1498 NE ARG A 101 18.225 -0.663 -1.189 1.00 0.00 N ATOM 1499 CZ ARG A 101 19.313 0.011 -0.832 1.00 0.00 C ATOM 1500 NH1 ARG A 101 19.950 -0.305 0.288 1.00 0.00 N ATOM 1501 NH2 ARG A 101 19.764 1.000 -1.593 1.00 0.00 N ATOM 0 H ARG A 101 13.595 -0.155 -2.997 1.00 0.00 H new ATOM 0 HA ARG A 101 13.962 -2.565 -1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.087 0.265 -1.316 1.00 0.00 H new ATOM 0 HB3 ARG A 101 15.697 -1.082 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.400 -2.249 -2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 101 15.672 -1.011 -3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.064 -0.607 -3.277 1.00 0.00 H new ATOM 0 HD3 ARG A 101 17.221 0.683 -2.442 1.00 0.00 H new ATOM 0 HE ARG A 101 17.908 -1.420 -0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.604 -1.065 0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 101 20.785 0.212 0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.275 1.244 -2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.599 1.516 -1.317 1.00 0.00 H new ATOM 1515 N ARG A 102 12.529 -0.147 0.131 1.00 0.00 N ATOM 1516 CA ARG A 102 11.826 0.141 1.383 1.00 0.00 C ATOM 1517 C ARG A 102 10.674 -0.833 1.608 1.00 0.00 C ATOM 1518 O ARG A 102 10.439 -1.281 2.733 1.00 0.00 O ATOM 1519 CB ARG A 102 11.306 1.580 1.401 1.00 0.00 C ATOM 1520 CG ARG A 102 10.714 1.989 2.742 1.00 0.00 C ATOM 1521 CD ARG A 102 11.786 2.461 3.716 1.00 0.00 C ATOM 1522 NE ARG A 102 12.532 1.350 4.308 1.00 0.00 N ATOM 1523 CZ ARG A 102 13.389 1.488 5.317 1.00 0.00 C ATOM 1524 NH1 ARG A 102 14.075 0.442 5.756 1.00 0.00 N ATOM 1525 NH2 ARG A 102 13.539 2.669 5.904 1.00 0.00 N ATOM 0 H ARG A 102 12.509 0.613 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 102 12.543 0.018 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 102 12.122 2.257 1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.548 1.695 0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 102 9.986 2.786 2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.177 1.145 3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 102 12.478 3.124 3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 102 11.320 3.045 4.509 1.00 0.00 H new ATOM 0 HE ARG A 102 12.387 0.416 3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 102 13.947 -0.471 5.320 1.00 0.00 H new ATOM 0 HH12 ARG A 102 14.731 0.551 6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 102 12.997 3.471 5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 102 14.196 2.774 6.677 1.00 0.00 H new ATOM 1539 N ALA A 103 9.963 -1.155 0.534 1.00 0.00 N ATOM 1540 CA ALA A 103 8.839 -2.084 0.614 1.00 0.00 C ATOM 1541 C ALA A 103 9.313 -3.451 1.090 1.00 0.00 C ATOM 1542 O ALA A 103 8.631 -4.114 1.861 1.00 0.00 O ATOM 1543 CB ALA A 103 8.148 -2.212 -0.732 1.00 0.00 C ATOM 0 H ALA A 103 10.143 -0.789 -0.401 1.00 0.00 H new ATOM 0 HA ALA A 103 8.123 -1.688 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.314 -2.909 -0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.775 -1.236 -1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.858 -2.583 -1.472 1.00 0.00 H new ATOM 1549 N ILE A 104 10.487 -3.860 0.617 1.00 0.00 N ATOM 1550 CA ILE A 104 11.078 -5.141 0.994 1.00 0.00 C ATOM 1551 C ILE A 104 11.359 -5.193 2.500 1.00 0.00 C ATOM 1552 O ILE A 104 11.102 -6.204 3.154 1.00 0.00 O ATOM 1553 CB ILE A 104 12.385 -5.403 0.206 1.00 0.00 C ATOM 1554 CG1 ILE A 104 12.072 -5.610 -1.279 1.00 0.00 C ATOM 1555 CG2 ILE A 104 13.126 -6.615 0.762 1.00 0.00 C ATOM 1556 CD1 ILE A 104 13.298 -5.605 -2.168 1.00 0.00 C ATOM 0 H ILE A 104 11.053 -3.317 -0.035 1.00 0.00 H new ATOM 0 HA ILE A 104 10.358 -5.921 0.745 1.00 0.00 H new ATOM 0 HB ILE A 104 13.030 -4.531 0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.549 -6.559 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 104 11.391 -4.826 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.040 -6.776 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 104 13.378 -6.439 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.490 -7.497 0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 104 12.997 -5.757 -3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.810 -4.647 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.971 -6.407 -1.864 1.00 0.00 H new ATOM 1568 N HIS A 105 11.892 -4.103 3.043 1.00 0.00 N ATOM 1569 CA HIS A 105 12.205 -4.032 4.471 1.00 0.00 C ATOM 1570 C HIS A 105 10.948 -4.145 5.335 1.00 0.00 C ATOM 1571 O HIS A 105 10.961 -4.809 6.369 1.00 0.00 O ATOM 1572 CB HIS A 105 12.937 -2.728 4.796 1.00 0.00 C ATOM 1573 CG HIS A 105 14.365 -2.703 4.338 1.00 0.00 C ATOM 1574 ND1 HIS A 105 15.386 -3.368 4.980 1.00 0.00 N ATOM 1575 CD2 HIS A 105 14.937 -2.071 3.284 1.00 0.00 C ATOM 1576 CE1 HIS A 105 16.520 -3.124 4.311 1.00 0.00 C ATOM 1577 NE2 HIS A 105 16.303 -2.342 3.273 1.00 0.00 N ATOM 0 H HIS A 105 12.117 -3.257 2.519 1.00 0.00 H new ATOM 0 HA HIS A 105 12.852 -4.879 4.701 1.00 0.00 H new ATOM 0 HB2 HIS A 105 12.403 -1.898 4.334 1.00 0.00 H new ATOM 0 HB3 HIS A 105 12.908 -2.565 5.873 1.00 0.00 H new ATOM 0 HD2 HIS A 105 14.416 -1.455 2.566 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.487 -3.517 4.587 1.00 0.00 H new ATOM 0 HE2 HIS A 105 16.992 -2.005 2.601 1.00 0.00 H new ATOM 1584 N LEU A 106 9.866 -3.493 4.916 1.00 0.00 N ATOM 1585 CA LEU A 106 8.610 -3.531 5.671 1.00 0.00 C ATOM 1586 C LEU A 106 7.772 -4.771 5.338 1.00 0.00 C ATOM 1587 O LEU A 106 6.922 -5.184 6.130 1.00 0.00 O ATOM 1588 CB LEU A 106 7.801 -2.249 5.428 1.00 0.00 C ATOM 1589 CG LEU A 106 7.183 -1.620 6.684 1.00 0.00 C ATOM 1590 CD1 LEU A 106 5.925 -2.365 7.107 1.00 0.00 C ATOM 1591 CD2 LEU A 106 8.189 -1.583 7.826 1.00 0.00 C ATOM 0 H LEU A 106 9.830 -2.934 4.063 1.00 0.00 H new ATOM 0 HA LEU A 106 8.867 -3.593 6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.450 -1.513 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.002 -2.471 4.721 1.00 0.00 H new ATOM 0 HG LEU A 106 6.905 -0.595 6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.508 -1.898 7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.192 -2.327 6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.173 -3.404 7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.726 -1.133 8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.507 -2.598 8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.055 -0.992 7.529 1.00 0.00 H new ATOM 1603 N ILE A 107 8.016 -5.368 4.175 1.00 0.00 N ATOM 1604 CA ILE A 107 7.272 -6.550 3.736 1.00 0.00 C ATOM 1605 C ILE A 107 7.472 -7.730 4.697 1.00 0.00 C ATOM 1606 O ILE A 107 6.654 -8.650 4.742 1.00 0.00 O ATOM 1607 CB ILE A 107 7.660 -6.960 2.288 1.00 0.00 C ATOM 1608 CG1 ILE A 107 6.452 -7.531 1.553 1.00 0.00 C ATOM 1609 CG2 ILE A 107 8.805 -7.965 2.268 1.00 0.00 C ATOM 1610 CD1 ILE A 107 5.541 -6.470 0.976 1.00 0.00 C ATOM 0 H ILE A 107 8.727 -5.052 3.515 1.00 0.00 H new ATOM 0 HA ILE A 107 6.215 -6.282 3.743 1.00 0.00 H new ATOM 0 HB ILE A 107 8.000 -6.059 1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 107 6.799 -8.178 0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.880 -8.155 2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.044 -8.224 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.682 -7.527 2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.509 -8.864 2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.703 -6.947 0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 107 5.165 -5.837 1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.098 -5.860 0.264 1.00 0.00 H new ATOM 1622 N THR A 108 8.556 -7.686 5.477 1.00 0.00 N ATOM 1623 CA THR A 108 8.862 -8.744 6.434 1.00 0.00 C ATOM 1624 C THR A 108 7.849 -8.787 7.585 1.00 0.00 C ATOM 1625 O THR A 108 7.805 -9.755 8.341 1.00 0.00 O ATOM 1626 CB THR A 108 10.291 -8.598 7.009 1.00 0.00 C ATOM 1627 OG1 THR A 108 10.675 -9.800 7.686 1.00 0.00 O ATOM 1628 CG2 THR A 108 10.387 -7.421 7.973 1.00 0.00 C ATOM 0 H THR A 108 9.236 -6.925 5.461 1.00 0.00 H new ATOM 0 HA THR A 108 8.799 -9.682 5.882 1.00 0.00 H new ATOM 0 HB THR A 108 10.966 -8.414 6.173 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.875 -10.259 8.016 1.00 0.00 H new ATOM 0 HG21 THR A 108 11.404 -7.348 8.358 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.130 -6.500 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.695 -7.572 8.802 1.00 0.00 H new ATOM 1636 N ASN A 109 7.042 -7.729 7.721 1.00 0.00 N ATOM 1637 CA ASN A 109 6.031 -7.675 8.780 1.00 0.00 C ATOM 1638 C ASN A 109 4.842 -8.588 8.473 1.00 0.00 C ATOM 1639 O ASN A 109 3.983 -8.814 9.329 1.00 0.00 O ATOM 1640 CB ASN A 109 5.549 -6.238 9.003 1.00 0.00 C ATOM 1641 CG ASN A 109 6.572 -5.394 9.739 1.00 0.00 C ATOM 1642 OD1 ASN A 109 7.317 -4.630 9.131 1.00 0.00 O ATOM 1643 ND2 ASN A 109 6.611 -5.528 11.058 1.00 0.00 N ATOM 0 H ASN A 109 7.069 -6.907 7.117 1.00 0.00 H new ATOM 0 HA ASN A 109 6.503 -8.033 9.695 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.327 -5.778 8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 109 4.618 -6.253 9.570 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.278 -4.985 11.606 1.00 0.00 H new ATOM 0 HD22 ASN A 109 5.974 -6.174 11.524 1.00 0.00 H new ATOM 1650 N TYR A 110 4.790 -9.096 7.242 1.00 0.00 N ATOM 1651 CA TYR A 110 3.719 -9.995 6.819 1.00 0.00 C ATOM 1652 C TYR A 110 3.788 -11.327 7.569 1.00 0.00 C ATOM 1653 O TYR A 110 4.865 -11.886 7.771 1.00 0.00 O ATOM 1654 CB TYR A 110 3.791 -10.233 5.306 1.00 0.00 C ATOM 1655 CG TYR A 110 2.824 -11.284 4.800 1.00 0.00 C ATOM 1656 CD1 TYR A 110 1.454 -11.048 4.779 1.00 0.00 C ATOM 1657 CD2 TYR A 110 3.285 -12.511 4.335 1.00 0.00 C ATOM 1658 CE1 TYR A 110 0.574 -12.006 4.311 1.00 0.00 C ATOM 1659 CE2 TYR A 110 2.410 -13.471 3.867 1.00 0.00 C ATOM 1660 CZ TYR A 110 1.055 -13.214 3.858 1.00 0.00 C ATOM 1661 OH TYR A 110 0.181 -14.168 3.390 1.00 0.00 O ATOM 0 H TYR A 110 5.481 -8.899 6.518 1.00 0.00 H new ATOM 0 HA TYR A 110 2.767 -9.521 7.058 1.00 0.00 H new ATOM 0 HB2 TYR A 110 3.592 -9.293 4.791 1.00 0.00 H new ATOM 0 HB3 TYR A 110 4.806 -10.532 5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.072 -10.102 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 110 4.345 -12.716 4.340 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.488 -11.807 4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.785 -14.419 3.510 1.00 0.00 H new ATOM 0 HH TYR A 110 0.683 -14.961 3.108 1.00 0.00 H new ATOM 1671 N GLY A 111 2.624 -11.834 7.971 1.00 0.00 N ATOM 1672 CA GLY A 111 2.570 -13.093 8.694 1.00 0.00 C ATOM 1673 C GLY A 111 1.988 -12.944 10.084 1.00 0.00 C ATOM 1674 O GLY A 111 1.781 -13.933 10.782 1.00 0.00 O ATOM 0 H GLY A 111 1.718 -11.395 7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 111 1.971 -13.807 8.128 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.575 -13.508 8.768 1.00 0.00 H new ATOM 1678 N ALA A 112 1.720 -11.701 10.480 1.00 0.00 N ATOM 1679 CA ALA A 112 1.146 -11.410 11.794 1.00 0.00 C ATOM 1680 C ALA A 112 -0.234 -12.045 11.960 1.00 0.00 C ATOM 1681 O ALA A 112 -0.573 -12.545 13.032 1.00 0.00 O ATOM 1682 CB ALA A 112 1.066 -9.906 12.011 1.00 0.00 C ATOM 0 H ALA A 112 1.892 -10.875 9.907 1.00 0.00 H new ATOM 0 HA ALA A 112 1.802 -11.846 12.547 1.00 0.00 H new ATOM 0 HB1 ALA A 112 0.637 -9.702 12.992 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.066 -9.477 11.956 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.437 -9.460 11.241 1.00 0.00 H new ATOM 1688 N VAL A 113 -1.031 -12.012 10.893 1.00 0.00 N ATOM 1689 CA VAL A 113 -2.379 -12.579 10.913 1.00 0.00 C ATOM 1690 C VAL A 113 -2.359 -14.109 10.870 1.00 0.00 C ATOM 1691 O VAL A 113 -3.362 -14.752 11.189 1.00 0.00 O ATOM 1692 CB VAL A 113 -3.232 -12.049 9.742 1.00 0.00 C ATOM 1693 CG1 VAL A 113 -3.467 -10.555 9.886 1.00 0.00 C ATOM 1694 CG2 VAL A 113 -2.575 -12.361 8.402 1.00 0.00 C ATOM 0 H VAL A 113 -0.765 -11.597 10.000 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.828 -12.264 11.855 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.197 -12.555 9.771 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.070 -10.199 9.051 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.990 -10.357 10.822 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.509 -10.035 9.889 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.197 -11.977 7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.593 -11.890 8.360 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.465 -13.440 8.293 1.00 0.00 H new ATOM 1704 N LEU A 114 -1.214 -14.671 10.460 1.00 0.00 N ATOM 1705 CA LEU A 114 -1.017 -16.127 10.354 1.00 0.00 C ATOM 1706 C LEU A 114 -1.812 -16.735 9.194 1.00 0.00 C ATOM 1707 O LEU A 114 -1.241 -17.390 8.323 1.00 0.00 O ATOM 1708 CB LEU A 114 -1.376 -16.832 11.666 1.00 0.00 C ATOM 1709 CG LEU A 114 -0.405 -16.589 12.825 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -0.975 -17.137 14.124 1.00 0.00 C ATOM 1711 CD2 LEU A 114 0.949 -17.220 12.529 1.00 0.00 C ATOM 0 H LEU A 114 -0.394 -14.128 10.191 1.00 0.00 H new ATOM 0 HA LEU A 114 0.042 -16.284 10.150 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.371 -16.509 11.973 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.433 -17.904 11.480 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.267 -15.514 12.937 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.271 -16.955 14.936 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.920 -16.640 14.345 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.144 -18.209 14.024 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.626 -17.037 13.364 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.827 -18.294 12.389 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.364 -16.781 11.622 1.00 0.00 H new ATOM 1723 N SER A 115 -3.122 -16.517 9.181 1.00 0.00 N ATOM 1724 CA SER A 115 -3.977 -17.059 8.131 1.00 0.00 C ATOM 1725 C SER A 115 -4.696 -15.947 7.366 1.00 0.00 C ATOM 1726 O SER A 115 -5.724 -15.441 7.817 1.00 0.00 O ATOM 1727 CB SER A 115 -5.002 -18.022 8.730 1.00 0.00 C ATOM 1728 OG SER A 115 -4.362 -19.079 9.424 1.00 0.00 O ATOM 0 H SER A 115 -3.615 -15.969 9.886 1.00 0.00 H new ATOM 0 HA SER A 115 -3.340 -17.597 7.429 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.660 -17.481 9.411 1.00 0.00 H new ATOM 0 HB3 SER A 115 -5.629 -18.430 7.937 1.00 0.00 H new ATOM 0 HG SER A 115 -5.038 -19.681 9.800 1.00 0.00 H new ATOM 1734 N PRO A 116 -4.154 -15.541 6.200 1.00 0.00 N ATOM 1735 CA PRO A 116 -4.760 -14.494 5.366 1.00 0.00 C ATOM 1736 C PRO A 116 -6.026 -14.979 4.657 1.00 0.00 C ATOM 1737 O PRO A 116 -6.217 -16.181 4.462 1.00 0.00 O ATOM 1738 CB PRO A 116 -3.658 -14.173 4.355 1.00 0.00 C ATOM 1739 CG PRO A 116 -2.881 -15.436 4.236 1.00 0.00 C ATOM 1740 CD PRO A 116 -2.905 -16.063 5.605 1.00 0.00 C ATOM 0 HA PRO A 116 -5.081 -13.632 5.951 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -4.076 -13.872 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -3.030 -13.352 4.700 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -3.325 -16.100 3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -1.859 -15.237 3.915 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.911 -17.151 5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -2.031 -15.780 6.192 1.00 0.00 H new ATOM 1748 N SER A 117 -6.892 -14.040 4.279 1.00 0.00 N ATOM 1749 CA SER A 117 -8.140 -14.370 3.593 1.00 0.00 C ATOM 1750 C SER A 117 -7.882 -14.995 2.221 1.00 0.00 C ATOM 1751 O SER A 117 -8.630 -15.865 1.773 1.00 0.00 O ATOM 1752 CB SER A 117 -9.016 -13.122 3.448 1.00 0.00 C ATOM 1753 OG SER A 117 -8.362 -12.121 2.686 1.00 0.00 O ATOM 0 H SER A 117 -6.752 -13.042 4.437 1.00 0.00 H new ATOM 0 HA SER A 117 -8.665 -15.106 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 117 -9.958 -13.390 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 117 -9.260 -12.730 4.435 1.00 0.00 H new ATOM 0 HG SER A 117 -8.944 -11.337 2.608 1.00 0.00 H new ATOM 1759 N GLU A 118 -6.822 -14.547 1.558 1.00 0.00 N ATOM 1760 CA GLU A 118 -6.469 -15.064 0.241 1.00 0.00 C ATOM 1761 C GLU A 118 -5.079 -15.692 0.267 1.00 0.00 C ATOM 1762 O GLU A 118 -4.191 -15.210 0.971 1.00 0.00 O ATOM 1763 CB GLU A 118 -6.519 -13.945 -0.805 1.00 0.00 C ATOM 1764 CG GLU A 118 -7.887 -13.287 -0.936 1.00 0.00 C ATOM 1765 CD GLU A 118 -8.941 -14.220 -1.506 1.00 0.00 C ATOM 1766 OE1 GLU A 118 -8.563 -15.223 -2.148 1.00 0.00 O ATOM 1767 OE2 GLU A 118 -10.143 -13.947 -1.306 1.00 0.00 O ATOM 0 H GLU A 118 -6.192 -13.827 1.911 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.194 -15.831 -0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -5.783 -13.184 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -6.228 -14.352 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.211 -12.937 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -7.802 -12.409 -1.576 1.00 0.00 H new ATOM 1774 N LYS A 119 -4.909 -16.767 -0.511 1.00 0.00 N ATOM 1775 CA LYS A 119 -3.633 -17.490 -0.599 1.00 0.00 C ATOM 1776 C LYS A 119 -3.175 -17.991 0.773 1.00 0.00 C ATOM 1777 O LYS A 119 -1.993 -17.912 1.114 1.00 0.00 O ATOM 1778 CB LYS A 119 -2.547 -16.607 -1.226 1.00 0.00 C ATOM 1779 CG LYS A 119 -2.892 -16.098 -2.622 1.00 0.00 C ATOM 1780 CD LYS A 119 -3.029 -17.237 -3.618 1.00 0.00 C ATOM 1781 CE LYS A 119 -3.327 -16.720 -5.016 1.00 0.00 C ATOM 1782 NZ LYS A 119 -3.473 -17.826 -6.002 1.00 0.00 N ATOM 0 H LYS A 119 -5.647 -17.160 -1.095 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.795 -18.357 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.366 -15.753 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.617 -17.173 -1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.824 -15.534 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.117 -15.410 -2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.109 -17.821 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.827 -17.907 -3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.243 -16.129 -4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.525 -16.054 -5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.675 -17.429 -6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.591 -18.375 -6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.255 -18.448 -5.713 1.00 0.00 H new ATOM 1796 N SER A 120 -4.121 -18.503 1.555 1.00 0.00 N ATOM 1797 CA SER A 120 -3.820 -19.023 2.884 1.00 0.00 C ATOM 1798 C SER A 120 -3.116 -20.380 2.800 1.00 0.00 C ATOM 1799 O SER A 120 -3.157 -21.052 1.768 1.00 0.00 O ATOM 1800 CB SER A 120 -5.104 -19.136 3.710 1.00 0.00 C ATOM 1801 OG SER A 120 -5.972 -20.127 3.186 1.00 0.00 O ATOM 0 H SER A 120 -5.104 -18.569 1.290 1.00 0.00 H new ATOM 0 HA SER A 120 -3.143 -18.325 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 120 -4.854 -19.379 4.743 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.615 -18.173 3.724 1.00 0.00 H new ATOM 0 HG SER A 120 -6.782 -20.176 3.736 1.00 0.00 H new ATOM 1807 N TYR A 121 -2.470 -20.777 3.890 1.00 0.00 N ATOM 1808 CA TYR A 121 -1.761 -22.049 3.938 1.00 0.00 C ATOM 1809 C TYR A 121 -2.319 -22.933 5.050 1.00 0.00 C ATOM 1810 O TYR A 121 -2.433 -22.501 6.198 1.00 0.00 O ATOM 1811 CB TYR A 121 -0.259 -21.817 4.149 1.00 0.00 C ATOM 1812 CG TYR A 121 0.549 -23.092 4.274 1.00 0.00 C ATOM 1813 CD1 TYR A 121 0.854 -23.858 3.154 1.00 0.00 C ATOM 1814 CD2 TYR A 121 1.009 -23.528 5.511 1.00 0.00 C ATOM 1815 CE1 TYR A 121 1.591 -25.021 3.265 1.00 0.00 C ATOM 1816 CE2 TYR A 121 1.747 -24.690 5.628 1.00 0.00 C ATOM 1817 CZ TYR A 121 2.036 -25.433 4.505 1.00 0.00 C ATOM 1818 OH TYR A 121 2.770 -26.591 4.619 1.00 0.00 O ATOM 0 H TYR A 121 -2.423 -20.235 4.753 1.00 0.00 H new ATOM 0 HA TYR A 121 -1.906 -22.558 2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 121 0.129 -21.233 3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.117 -21.219 5.049 1.00 0.00 H new ATOM 0 HD1 TYR A 121 0.509 -23.538 2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.786 -22.949 6.395 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.818 -25.605 2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.096 -25.015 6.597 1.00 0.00 H new ATOM 0 HH TYR A 121 3.006 -26.738 5.559 1.00 0.00 H new ATOM 1828 N GLN A 122 -2.671 -24.165 4.701 1.00 0.00 N ATOM 1829 CA GLN A 122 -3.211 -25.110 5.669 1.00 0.00 C ATOM 1830 C GLN A 122 -2.406 -26.403 5.655 1.00 0.00 C ATOM 1831 O GLN A 122 -1.936 -26.838 4.605 1.00 0.00 O ATOM 1832 CB GLN A 122 -4.684 -25.406 5.367 1.00 0.00 C ATOM 1833 CG GLN A 122 -5.611 -24.226 5.608 1.00 0.00 C ATOM 1834 CD GLN A 122 -7.021 -24.480 5.111 1.00 0.00 C ATOM 1835 OE1 GLN A 122 -7.230 -25.232 4.160 1.00 0.00 O ATOM 1836 NE2 GLN A 122 -7.999 -23.855 5.755 1.00 0.00 N ATOM 0 H GLN A 122 -2.592 -24.533 3.753 1.00 0.00 H new ATOM 0 HA GLN A 122 -3.140 -24.662 6.660 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.775 -25.721 4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -5.010 -26.244 5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.640 -24.004 6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.208 -23.344 5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.782 -23.240 6.539 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -8.968 -23.990 5.466 1.00 0.00 H new ATOM 1845 N GLU A 123 -2.250 -27.015 6.823 1.00 0.00 N ATOM 1846 CA GLU A 123 -1.500 -28.259 6.936 1.00 0.00 C ATOM 1847 C GLU A 123 -2.429 -29.412 7.308 1.00 0.00 C ATOM 1848 O GLU A 123 -3.169 -29.329 8.287 1.00 0.00 O ATOM 1849 CB GLU A 123 -0.387 -28.110 7.980 1.00 0.00 C ATOM 1850 CG GLU A 123 0.504 -29.338 8.119 1.00 0.00 C ATOM 1851 CD GLU A 123 1.619 -29.144 9.128 1.00 0.00 C ATOM 1852 OE1 GLU A 123 1.702 -28.049 9.723 1.00 0.00 O ATOM 1853 OE2 GLU A 123 2.410 -30.091 9.325 1.00 0.00 O ATOM 0 H GLU A 123 -2.632 -26.670 7.704 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.047 -28.482 5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.232 -27.253 7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -0.838 -27.890 8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.105 -30.191 8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.937 -29.579 7.148 1.00 0.00 H new ATOM 1860 N GLY A 124 -2.388 -30.480 6.523 1.00 0.00 N ATOM 1861 CA GLY A 124 -3.232 -31.631 6.788 1.00 0.00 C ATOM 1862 C GLY A 124 -2.909 -32.800 5.884 1.00 0.00 C ATOM 1863 O GLY A 124 -3.559 -33.856 6.021 1.00 0.00 O ATOM 1864 OXT GLY A 124 -2.002 -32.656 5.037 1.00 0.00 O ATOM 0 H GLY A 124 -1.785 -30.571 5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -3.112 -31.935 7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.277 -31.351 6.656 1.00 0.00 H new TER 1868 GLY A 124