USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 667 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 52 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 53 GLN : amide:sc= -0.0435 K(o=-0.044,f=-1.4) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 74 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.00704 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 61:sc=0.000419 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 27 GLN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 28 MET CE :methyl -176:sc= 0 (180deg=-0.0202) USER MOD Single : A 29 ASN : amide:sc= -8.12! C(o=-8.1!,f=-25!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 134:sc= -1.27 (180deg=-2.48!) USER MOD Single : A 36 HIS : no HD1:sc= -0.502 X(o=-0.5,f=-0.012) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0262 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -3.13! C(o=-3.1!,f=-12!) USER MOD Single : A 58 GLN : amide:sc= -0.995 X(o=-0.99,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= 0.0302 (180deg=-0.00154) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0783 K(o=-0.078,f=-1.8!) USER MOD Single : A 66 TYR OH : rot 130:sc= 0.245 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.665 -16.820 -4.897 1.00 0.00 N ATOM 2 CA GLY A 1 -1.777 -16.881 -6.046 1.00 0.00 C ATOM 3 C GLY A 1 -2.228 -17.961 -7.031 1.00 0.00 C ATOM 4 O GLY A 1 -2.606 -19.058 -6.624 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.127 -16.522 -4.058 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.425 -16.135 -5.082 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.079 -17.759 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.757 -15.913 -6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.760 -17.089 -5.713 1.00 0.00 H new ATOM 8 N SER A 2 -2.174 -17.612 -8.308 1.00 0.00 N ATOM 9 CA SER A 2 -2.573 -18.538 -9.355 1.00 0.00 C ATOM 10 C SER A 2 -1.336 -19.069 -10.082 1.00 0.00 C ATOM 11 O SER A 2 -1.103 -20.276 -10.118 1.00 0.00 O ATOM 12 CB SER A 2 -3.526 -17.870 -10.347 1.00 0.00 C ATOM 13 OG SER A 2 -4.649 -18.695 -10.647 1.00 0.00 O ATOM 0 H SER A 2 -1.860 -16.701 -8.642 1.00 0.00 H new ATOM 0 HA SER A 2 -3.101 -19.372 -8.892 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.872 -16.922 -9.935 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.989 -17.640 -11.267 1.00 0.00 H new ATOM 0 HG SER A 2 -5.234 -18.232 -11.282 1.00 0.00 H new ATOM 19 N SER A 3 -0.575 -18.141 -10.644 1.00 0.00 N ATOM 20 CA SER A 3 0.632 -18.501 -11.369 1.00 0.00 C ATOM 21 C SER A 3 1.783 -18.730 -10.387 1.00 0.00 C ATOM 22 O SER A 3 1.683 -18.374 -9.214 1.00 0.00 O ATOM 23 CB SER A 3 1.008 -17.420 -12.384 1.00 0.00 C ATOM 24 OG SER A 3 0.149 -17.434 -13.522 1.00 0.00 O ATOM 0 H SER A 3 -0.771 -17.140 -10.612 1.00 0.00 H new ATOM 0 HA SER A 3 0.440 -19.424 -11.916 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.961 -16.442 -11.906 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.039 -17.568 -12.706 1.00 0.00 H new ATOM 0 HG SER A 3 0.421 -16.728 -14.146 1.00 0.00 H new ATOM 30 N GLY A 4 2.849 -19.323 -10.904 1.00 0.00 N ATOM 31 CA GLY A 4 4.018 -19.604 -10.087 1.00 0.00 C ATOM 32 C GLY A 4 5.141 -18.605 -10.375 1.00 0.00 C ATOM 33 O GLY A 4 5.631 -18.524 -11.500 1.00 0.00 O ATOM 0 H GLY A 4 2.928 -19.617 -11.878 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.748 -19.559 -9.032 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.368 -20.617 -10.283 1.00 0.00 H new ATOM 37 N SER A 5 5.515 -17.870 -9.338 1.00 0.00 N ATOM 38 CA SER A 5 6.571 -16.880 -9.466 1.00 0.00 C ATOM 39 C SER A 5 6.914 -16.301 -8.092 1.00 0.00 C ATOM 40 O SER A 5 6.104 -16.364 -7.168 1.00 0.00 O ATOM 41 CB SER A 5 6.164 -15.761 -10.427 1.00 0.00 C ATOM 42 OG SER A 5 6.988 -15.731 -11.590 1.00 0.00 O ATOM 0 H SER A 5 5.106 -17.940 -8.406 1.00 0.00 H new ATOM 0 HA SER A 5 7.453 -17.372 -9.877 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.124 -15.897 -10.723 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.226 -14.801 -9.914 1.00 0.00 H new ATOM 0 HG SER A 5 6.909 -16.582 -12.069 1.00 0.00 H new ATOM 48 N SER A 6 8.115 -15.749 -8.000 1.00 0.00 N ATOM 49 CA SER A 6 8.575 -15.159 -6.755 1.00 0.00 C ATOM 50 C SER A 6 7.712 -13.946 -6.401 1.00 0.00 C ATOM 51 O SER A 6 7.134 -13.885 -5.317 1.00 0.00 O ATOM 52 CB SER A 6 10.047 -14.755 -6.847 1.00 0.00 C ATOM 53 OG SER A 6 10.919 -15.868 -6.671 1.00 0.00 O ATOM 0 H SER A 6 8.784 -15.698 -8.768 1.00 0.00 H new ATOM 0 HA SER A 6 8.481 -15.906 -5.967 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.237 -14.296 -7.817 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.264 -14.001 -6.090 1.00 0.00 H new ATOM 0 HG SER A 6 11.850 -15.568 -6.738 1.00 0.00 H new ATOM 59 N GLY A 7 7.653 -13.009 -7.336 1.00 0.00 N ATOM 60 CA GLY A 7 6.871 -11.801 -7.136 1.00 0.00 C ATOM 61 C GLY A 7 7.430 -10.971 -5.979 1.00 0.00 C ATOM 62 O GLY A 7 8.085 -11.506 -5.086 1.00 0.00 O ATOM 0 H GLY A 7 8.134 -13.062 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.874 -11.206 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.834 -12.065 -6.931 1.00 0.00 H new ATOM 66 N LEU A 8 7.151 -9.677 -6.032 1.00 0.00 N ATOM 67 CA LEU A 8 7.618 -8.767 -4.999 1.00 0.00 C ATOM 68 C LEU A 8 6.583 -8.707 -3.873 1.00 0.00 C ATOM 69 O LEU A 8 5.391 -8.551 -4.130 1.00 0.00 O ATOM 70 CB LEU A 8 7.953 -7.401 -5.600 1.00 0.00 C ATOM 71 CG LEU A 8 8.430 -6.333 -4.613 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.680 -5.622 -5.136 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.306 -5.349 -4.284 1.00 0.00 C ATOM 0 H LEU A 8 6.607 -9.237 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 8 8.546 -9.132 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.725 -7.539 -6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.068 -7.025 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 8 8.707 -6.828 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.998 -4.868 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.480 -6.349 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.454 -5.142 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.672 -4.601 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.974 -4.856 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.470 -5.888 -3.838 1.00 0.00 H new ATOM 85 N GLU A 9 7.078 -8.835 -2.651 1.00 0.00 N ATOM 86 CA GLU A 9 6.212 -8.797 -1.485 1.00 0.00 C ATOM 87 C GLU A 9 6.096 -7.366 -0.956 1.00 0.00 C ATOM 88 O GLU A 9 7.050 -6.592 -1.034 1.00 0.00 O ATOM 89 CB GLU A 9 6.716 -9.745 -0.396 1.00 0.00 C ATOM 90 CG GLU A 9 5.678 -9.904 0.717 1.00 0.00 C ATOM 91 CD GLU A 9 6.005 -11.107 1.604 1.00 0.00 C ATOM 92 OE1 GLU A 9 6.850 -10.932 2.508 1.00 0.00 O ATOM 93 OE2 GLU A 9 5.401 -12.173 1.358 1.00 0.00 O ATOM 0 H GLU A 9 8.068 -8.965 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 9 5.219 -9.135 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.939 -10.719 -0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.647 -9.362 0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.648 -8.998 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.687 -10.028 0.280 1.00 0.00 H new ATOM 100 N VAL A 10 4.921 -7.057 -0.429 1.00 0.00 N ATOM 101 CA VAL A 10 4.668 -5.732 0.113 1.00 0.00 C ATOM 102 C VAL A 10 3.755 -5.851 1.335 1.00 0.00 C ATOM 103 O VAL A 10 2.719 -6.513 1.278 1.00 0.00 O ATOM 104 CB VAL A 10 4.096 -4.822 -0.975 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.907 -3.396 -0.453 1.00 0.00 C ATOM 106 CG2 VAL A 10 4.981 -4.836 -2.223 1.00 0.00 C ATOM 0 H VAL A 10 4.133 -7.701 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 10 5.598 -5.272 0.446 1.00 0.00 H new ATOM 0 HB VAL A 10 3.116 -5.209 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.499 -2.769 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.218 -3.406 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.869 -2.995 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.552 -4.181 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.980 -4.486 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.043 -5.852 -2.614 1.00 0.00 H new ATOM 116 N LEU A 11 4.171 -5.201 2.411 1.00 0.00 N ATOM 117 CA LEU A 11 3.403 -5.225 3.644 1.00 0.00 C ATOM 118 C LEU A 11 2.723 -3.870 3.843 1.00 0.00 C ATOM 119 O LEU A 11 3.183 -2.857 3.319 1.00 0.00 O ATOM 120 CB LEU A 11 4.289 -5.647 4.819 1.00 0.00 C ATOM 121 CG LEU A 11 4.765 -7.101 4.811 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.732 -7.356 3.653 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.373 -7.485 6.161 1.00 0.00 C ATOM 0 H LEU A 11 5.031 -4.654 2.455 1.00 0.00 H new ATOM 0 HA LEU A 11 2.612 -5.973 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.165 -4.999 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.740 -5.470 5.744 1.00 0.00 H new ATOM 0 HG LEU A 11 3.899 -7.743 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.055 -8.397 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.231 -7.148 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.600 -6.705 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.704 -8.523 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.225 -6.839 6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.624 -7.367 6.944 1.00 0.00 H new ATOM 135 N VAL A 12 1.636 -3.895 4.602 1.00 0.00 N ATOM 136 CA VAL A 12 0.888 -2.680 4.876 1.00 0.00 C ATOM 137 C VAL A 12 0.482 -2.659 6.352 1.00 0.00 C ATOM 138 O VAL A 12 -0.021 -3.652 6.875 1.00 0.00 O ATOM 139 CB VAL A 12 -0.307 -2.576 3.926 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.238 -1.433 4.339 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.157 -2.410 2.478 1.00 0.00 C ATOM 0 H VAL A 12 1.256 -4.737 5.035 1.00 0.00 H new ATOM 0 HA VAL A 12 1.507 -1.801 4.696 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.870 -3.507 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.079 -1.381 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.609 -1.612 5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.690 -0.491 4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.712 -2.339 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.754 -1.502 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.760 -3.271 2.188 1.00 0.00 H new ATOM 151 N LYS A 13 0.716 -1.516 6.980 1.00 0.00 N ATOM 152 CA LYS A 13 0.381 -1.352 8.384 1.00 0.00 C ATOM 153 C LYS A 13 -0.700 -0.279 8.525 1.00 0.00 C ATOM 154 O LYS A 13 -0.610 0.782 7.910 1.00 0.00 O ATOM 155 CB LYS A 13 1.640 -1.068 9.206 1.00 0.00 C ATOM 156 CG LYS A 13 1.314 -0.980 10.698 1.00 0.00 C ATOM 157 CD LYS A 13 2.581 -0.751 11.524 1.00 0.00 C ATOM 158 CE LYS A 13 2.235 -0.387 12.969 1.00 0.00 C ATOM 159 NZ LYS A 13 2.605 1.017 13.253 1.00 0.00 N ATOM 0 H LYS A 13 1.134 -0.695 6.542 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.033 -2.276 8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.374 -1.856 9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.092 -0.134 8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.610 -0.166 10.873 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.826 -1.899 11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.197 -1.650 11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.172 0.047 11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.168 -0.530 13.141 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.760 -1.053 13.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.363 1.247 14.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.627 1.143 13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.085 1.650 12.612 1.00 0.00 H new ATOM 173 N THR A 14 -1.698 -0.593 9.338 1.00 0.00 N ATOM 174 CA THR A 14 -2.795 0.331 9.567 1.00 0.00 C ATOM 175 C THR A 14 -2.789 0.818 11.018 1.00 0.00 C ATOM 176 O THR A 14 -2.074 0.271 11.857 1.00 0.00 O ATOM 177 CB THR A 14 -4.095 -0.369 9.167 1.00 0.00 C ATOM 178 OG1 THR A 14 -3.916 -1.712 9.610 1.00 0.00 O ATOM 179 CG2 THR A 14 -4.249 -0.495 7.650 1.00 0.00 C ATOM 0 H THR A 14 -1.770 -1.475 9.846 1.00 0.00 H new ATOM 0 HA THR A 14 -2.690 1.227 8.956 1.00 0.00 H new ATOM 0 HB THR A 14 -4.944 0.181 9.574 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.714 -2.237 9.392 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.188 -0.999 7.420 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.251 0.498 7.201 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.418 -1.074 7.247 1.00 0.00 H new ATOM 187 N LEU A 15 -3.594 1.839 11.270 1.00 0.00 N ATOM 188 CA LEU A 15 -3.691 2.405 12.604 1.00 0.00 C ATOM 189 C LEU A 15 -4.410 1.415 13.523 1.00 0.00 C ATOM 190 O LEU A 15 -5.466 1.727 14.072 1.00 0.00 O ATOM 191 CB LEU A 15 -4.347 3.786 12.555 1.00 0.00 C ATOM 192 CG LEU A 15 -3.850 4.726 11.454 1.00 0.00 C ATOM 193 CD1 LEU A 15 -2.346 4.557 11.227 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.650 4.532 10.165 1.00 0.00 C ATOM 0 H LEU A 15 -4.186 2.289 10.572 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.697 2.565 13.022 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.422 3.652 12.433 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.194 4.273 13.518 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.013 5.753 11.782 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.018 5.236 10.440 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.811 4.785 12.149 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.136 3.529 10.930 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.277 5.212 9.399 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.542 3.503 9.821 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.703 4.742 10.355 1.00 0.00 H new ATOM 206 N ASP A 16 -3.810 0.242 13.661 1.00 0.00 N ATOM 207 CA ASP A 16 -4.380 -0.795 14.503 1.00 0.00 C ATOM 208 C ASP A 16 -3.363 -1.925 14.673 1.00 0.00 C ATOM 209 O ASP A 16 -3.738 -3.091 14.785 1.00 0.00 O ATOM 210 CB ASP A 16 -5.642 -1.386 13.872 1.00 0.00 C ATOM 211 CG ASP A 16 -6.793 -1.644 14.846 1.00 0.00 C ATOM 212 OD1 ASP A 16 -6.488 -2.029 15.995 1.00 0.00 O ATOM 213 OD2 ASP A 16 -7.952 -1.451 14.419 1.00 0.00 O ATOM 0 H ASP A 16 -2.935 -0.013 13.204 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.633 -0.347 15.464 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.991 -0.709 13.092 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.381 -2.326 13.385 1.00 0.00 H new ATOM 218 N SER A 17 -2.095 -1.540 14.686 1.00 0.00 N ATOM 219 CA SER A 17 -1.021 -2.506 14.840 1.00 0.00 C ATOM 220 C SER A 17 -1.350 -3.783 14.064 1.00 0.00 C ATOM 221 O SER A 17 -1.367 -4.873 14.633 1.00 0.00 O ATOM 222 CB SER A 17 -0.778 -2.830 16.315 1.00 0.00 C ATOM 223 OG SER A 17 -0.368 -1.682 17.053 1.00 0.00 O ATOM 0 H SER A 17 -1.788 -0.572 14.592 1.00 0.00 H new ATOM 0 HA SER A 17 -0.108 -2.068 14.437 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.690 -3.235 16.752 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.015 -3.604 16.395 1.00 0.00 H new ATOM 0 HG SER A 17 -0.225 -1.930 17.990 1.00 0.00 H new ATOM 229 N GLN A 18 -1.604 -3.606 12.775 1.00 0.00 N ATOM 230 CA GLN A 18 -1.932 -4.730 11.916 1.00 0.00 C ATOM 231 C GLN A 18 -1.047 -4.720 10.668 1.00 0.00 C ATOM 232 O GLN A 18 -1.185 -3.848 9.811 1.00 0.00 O ATOM 233 CB GLN A 18 -3.414 -4.716 11.536 1.00 0.00 C ATOM 234 CG GLN A 18 -4.269 -5.336 12.643 1.00 0.00 C ATOM 235 CD GLN A 18 -5.369 -6.223 12.055 1.00 0.00 C ATOM 236 OE1 GLN A 18 -5.269 -6.728 10.949 1.00 0.00 O ATOM 237 NE2 GLN A 18 -6.420 -6.383 12.855 1.00 0.00 N ATOM 0 H GLN A 18 -1.589 -2.701 12.306 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.740 -5.651 12.467 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.737 -3.691 11.353 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.560 -5.267 10.607 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.638 -5.926 13.308 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.717 -4.547 13.246 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.438 -5.931 13.769 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.207 -6.958 12.554 1.00 0.00 H new ATOM 246 N THR A 19 -0.156 -5.699 10.605 1.00 0.00 N ATOM 247 CA THR A 19 0.752 -5.814 9.477 1.00 0.00 C ATOM 248 C THR A 19 0.389 -7.030 8.622 1.00 0.00 C ATOM 249 O THR A 19 0.260 -8.139 9.138 1.00 0.00 O ATOM 250 CB THR A 19 2.181 -5.858 10.022 1.00 0.00 C ATOM 251 OG1 THR A 19 2.270 -4.706 10.855 1.00 0.00 O ATOM 252 CG2 THR A 19 3.230 -5.615 8.935 1.00 0.00 C ATOM 0 H THR A 19 -0.044 -6.420 11.318 1.00 0.00 H new ATOM 0 HA THR A 19 0.669 -4.953 8.813 1.00 0.00 H new ATOM 0 HB THR A 19 2.362 -6.826 10.490 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.165 -4.657 11.251 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.226 -5.657 9.375 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.141 -6.382 8.165 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.071 -4.633 8.489 1.00 0.00 H new ATOM 260 N ARG A 20 0.235 -6.781 7.330 1.00 0.00 N ATOM 261 CA ARG A 20 -0.110 -7.842 6.399 1.00 0.00 C ATOM 262 C ARG A 20 0.965 -7.970 5.318 1.00 0.00 C ATOM 263 O ARG A 20 1.870 -7.140 5.236 1.00 0.00 O ATOM 264 CB ARG A 20 -1.462 -7.573 5.735 1.00 0.00 C ATOM 265 CG ARG A 20 -2.571 -7.445 6.781 1.00 0.00 C ATOM 266 CD ARG A 20 -3.814 -6.784 6.183 1.00 0.00 C ATOM 267 NE ARG A 20 -5.017 -7.181 6.949 1.00 0.00 N ATOM 268 CZ ARG A 20 -6.272 -7.053 6.497 1.00 0.00 C ATOM 269 NH1 ARG A 20 -6.497 -6.537 5.281 1.00 0.00 N ATOM 270 NH2 ARG A 20 -7.302 -7.440 7.262 1.00 0.00 N ATOM 0 H ARG A 20 0.343 -5.860 6.906 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.174 -8.772 6.964 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.406 -6.658 5.145 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.700 -8.383 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.829 -8.432 7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.213 -6.857 7.626 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.703 -5.700 6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.925 -7.077 5.139 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.882 -7.577 7.879 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.713 -6.242 4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.452 -6.440 4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.131 -7.832 8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.257 -7.343 6.918 1.00 0.00 H new ATOM 284 N THR A 21 0.832 -9.016 4.517 1.00 0.00 N ATOM 285 CA THR A 21 1.780 -9.264 3.444 1.00 0.00 C ATOM 286 C THR A 21 1.048 -9.431 2.112 1.00 0.00 C ATOM 287 O THR A 21 0.023 -10.109 2.043 1.00 0.00 O ATOM 288 CB THR A 21 2.624 -10.480 3.831 1.00 0.00 C ATOM 289 OG1 THR A 21 3.766 -9.921 4.474 1.00 0.00 O ATOM 290 CG2 THR A 21 3.199 -11.205 2.613 1.00 0.00 C ATOM 0 H THR A 21 0.081 -9.703 4.589 1.00 0.00 H new ATOM 0 HA THR A 21 2.450 -8.416 3.305 1.00 0.00 H new ATOM 0 HB THR A 21 2.016 -11.173 4.412 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.366 -10.641 4.759 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.789 -12.060 2.943 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.384 -11.551 1.977 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.834 -10.522 2.049 1.00 0.00 H new ATOM 298 N PHE A 22 1.601 -8.802 1.086 1.00 0.00 N ATOM 299 CA PHE A 22 1.013 -8.873 -0.241 1.00 0.00 C ATOM 300 C PHE A 22 2.077 -9.183 -1.296 1.00 0.00 C ATOM 301 O PHE A 22 3.187 -8.657 -1.238 1.00 0.00 O ATOM 302 CB PHE A 22 0.406 -7.500 -0.535 1.00 0.00 C ATOM 303 CG PHE A 22 -0.757 -7.124 0.385 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.884 -7.885 0.402 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.664 -6.029 1.187 1.00 0.00 C ATOM 306 CE1 PHE A 22 -2.964 -7.536 1.256 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.743 -5.680 2.041 1.00 0.00 C ATOM 308 CZ PHE A 22 -2.870 -6.441 2.058 1.00 0.00 C ATOM 0 H PHE A 22 2.450 -8.240 1.147 1.00 0.00 H new ATOM 0 HA PHE A 22 0.265 -9.665 -0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.185 -6.743 -0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.059 -7.481 -1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.958 -8.755 -0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.231 -5.425 1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.859 -8.140 1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.669 -4.810 2.677 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.691 -6.176 2.708 1.00 0.00 H new ATOM 318 N ILE A 23 1.700 -10.037 -2.237 1.00 0.00 N ATOM 319 CA ILE A 23 2.607 -10.424 -3.304 1.00 0.00 C ATOM 320 C ILE A 23 2.086 -9.877 -4.634 1.00 0.00 C ATOM 321 O ILE A 23 1.129 -10.409 -5.196 1.00 0.00 O ATOM 322 CB ILE A 23 2.820 -11.939 -3.303 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.436 -12.405 -1.982 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.653 -12.376 -4.509 1.00 0.00 C ATOM 325 CD1 ILE A 23 4.955 -12.227 -1.992 1.00 0.00 C ATOM 0 H ILE A 23 0.778 -10.472 -2.282 1.00 0.00 H new ATOM 0 HA ILE A 23 3.592 -9.987 -3.143 1.00 0.00 H new ATOM 0 HB ILE A 23 1.846 -12.421 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.005 -11.839 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.190 -13.453 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.790 -13.457 -4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.138 -12.096 -5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.626 -11.886 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.367 -12.566 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.385 -12.814 -2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.197 -11.174 -2.138 1.00 0.00 H new ATOM 337 N VAL A 24 2.738 -8.822 -5.101 1.00 0.00 N ATOM 338 CA VAL A 24 2.352 -8.198 -6.355 1.00 0.00 C ATOM 339 C VAL A 24 3.576 -8.095 -7.266 1.00 0.00 C ATOM 340 O VAL A 24 4.710 -8.220 -6.805 1.00 0.00 O ATOM 341 CB VAL A 24 1.693 -6.844 -6.084 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.382 -7.016 -5.315 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.648 -5.909 -5.338 1.00 0.00 C ATOM 0 H VAL A 24 3.531 -8.384 -4.633 1.00 0.00 H new ATOM 0 HA VAL A 24 1.611 -8.807 -6.873 1.00 0.00 H new ATOM 0 HB VAL A 24 1.459 -6.387 -7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.066 -6.038 -5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.305 -7.628 -5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.581 -7.504 -4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.155 -4.954 -5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.927 -6.359 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.543 -5.748 -5.939 1.00 0.00 H new ATOM 353 N GLY A 25 3.306 -7.870 -8.544 1.00 0.00 N ATOM 354 CA GLY A 25 4.372 -7.749 -9.524 1.00 0.00 C ATOM 355 C GLY A 25 5.147 -6.444 -9.334 1.00 0.00 C ATOM 356 O GLY A 25 4.563 -5.361 -9.359 1.00 0.00 O ATOM 0 H GLY A 25 2.365 -7.768 -8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.052 -8.596 -9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.952 -7.783 -10.529 1.00 0.00 H new ATOM 360 N ALA A 26 6.451 -6.588 -9.148 1.00 0.00 N ATOM 361 CA ALA A 26 7.312 -5.434 -8.953 1.00 0.00 C ATOM 362 C ALA A 26 6.937 -4.348 -9.964 1.00 0.00 C ATOM 363 O ALA A 26 6.978 -3.160 -9.648 1.00 0.00 O ATOM 364 CB ALA A 26 8.775 -5.863 -9.073 1.00 0.00 C ATOM 0 H ALA A 26 6.932 -7.487 -9.128 1.00 0.00 H new ATOM 0 HA ALA A 26 7.176 -5.017 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.421 -4.997 -8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.997 -6.614 -8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.951 -6.284 -10.063 1.00 0.00 H new ATOM 370 N GLN A 27 6.582 -4.795 -11.160 1.00 0.00 N ATOM 371 CA GLN A 27 6.201 -3.876 -12.219 1.00 0.00 C ATOM 372 C GLN A 27 4.981 -3.055 -11.796 1.00 0.00 C ATOM 373 O GLN A 27 4.929 -1.848 -12.029 1.00 0.00 O ATOM 374 CB GLN A 27 5.931 -4.626 -13.525 1.00 0.00 C ATOM 375 CG GLN A 27 7.229 -5.177 -14.119 1.00 0.00 C ATOM 376 CD GLN A 27 7.162 -6.698 -14.265 1.00 0.00 C ATOM 377 OE1 GLN A 27 6.445 -7.238 -15.091 1.00 0.00 O ATOM 378 NE2 GLN A 27 7.948 -7.358 -13.418 1.00 0.00 N ATOM 0 H GLN A 27 6.550 -5.781 -11.419 1.00 0.00 H new ATOM 0 HA GLN A 27 7.031 -3.192 -12.396 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.235 -5.444 -13.341 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.454 -3.957 -14.241 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.409 -4.722 -15.093 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.069 -4.906 -13.480 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.524 -6.844 -12.751 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.975 -8.377 -13.436 1.00 0.00 H new ATOM 387 N MET A 28 4.029 -3.742 -11.181 1.00 0.00 N ATOM 388 CA MET A 28 2.813 -3.092 -10.723 1.00 0.00 C ATOM 389 C MET A 28 3.109 -1.688 -10.191 1.00 0.00 C ATOM 390 O MET A 28 4.185 -1.441 -9.647 1.00 0.00 O ATOM 391 CB MET A 28 2.169 -3.932 -9.619 1.00 0.00 C ATOM 392 CG MET A 28 0.892 -3.268 -9.099 1.00 0.00 C ATOM 393 SD MET A 28 0.187 -4.248 -7.784 1.00 0.00 S ATOM 394 CE MET A 28 -0.687 -5.473 -8.745 1.00 0.00 C ATOM 0 H MET A 28 4.076 -4.743 -10.989 1.00 0.00 H new ATOM 0 HA MET A 28 2.130 -3.003 -11.568 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.936 -4.926 -10.002 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.875 -4.064 -8.799 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.116 -2.265 -8.736 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.172 -3.161 -9.910 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.246 -6.128 -8.077 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.377 -4.976 -9.427 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.028 -6.064 -9.318 1.00 0.00 H new ATOM 404 N ASN A 29 2.136 -0.806 -10.365 1.00 0.00 N ATOM 405 CA ASN A 29 2.279 0.566 -9.908 1.00 0.00 C ATOM 406 C ASN A 29 1.606 0.717 -8.543 1.00 0.00 C ATOM 407 O ASN A 29 0.906 -0.187 -8.088 1.00 0.00 O ATOM 408 CB ASN A 29 1.607 1.541 -10.877 1.00 0.00 C ATOM 409 CG ASN A 29 0.248 1.010 -11.336 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.064 -0.171 -11.580 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.692 1.946 -11.439 1.00 0.00 N ATOM 0 H ASN A 29 1.245 -1.015 -10.816 1.00 0.00 H new ATOM 0 HA ASN A 29 3.343 0.793 -9.848 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.478 2.509 -10.393 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.250 1.700 -11.742 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.634 1.692 -11.738 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.471 2.917 -11.219 1.00 0.00 H new ATOM 418 N VAL A 30 1.841 1.866 -7.927 1.00 0.00 N ATOM 419 CA VAL A 30 1.266 2.147 -6.622 1.00 0.00 C ATOM 420 C VAL A 30 -0.256 2.020 -6.702 1.00 0.00 C ATOM 421 O VAL A 30 -0.872 1.354 -5.871 1.00 0.00 O ATOM 422 CB VAL A 30 1.726 3.522 -6.133 1.00 0.00 C ATOM 423 CG1 VAL A 30 0.790 4.059 -5.048 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.172 3.471 -5.634 1.00 0.00 C ATOM 0 H VAL A 30 2.422 2.613 -8.307 1.00 0.00 H new ATOM 0 HA VAL A 30 1.615 1.422 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 30 1.688 4.209 -6.979 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.139 5.037 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.219 4.151 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.782 3.372 -4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.474 4.461 -5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.247 2.763 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.826 3.152 -6.446 1.00 0.00 H new ATOM 434 N LYS A 31 -0.820 2.669 -7.710 1.00 0.00 N ATOM 435 CA LYS A 31 -2.259 2.636 -7.910 1.00 0.00 C ATOM 436 C LYS A 31 -2.737 1.183 -7.909 1.00 0.00 C ATOM 437 O LYS A 31 -3.426 0.753 -6.985 1.00 0.00 O ATOM 438 CB LYS A 31 -2.642 3.409 -9.173 1.00 0.00 C ATOM 439 CG LYS A 31 -4.050 3.033 -9.640 1.00 0.00 C ATOM 440 CD LYS A 31 -4.749 4.228 -10.292 1.00 0.00 C ATOM 441 CE LYS A 31 -4.567 4.208 -11.811 1.00 0.00 C ATOM 442 NZ LYS A 31 -5.275 5.349 -12.433 1.00 0.00 N ATOM 0 H LYS A 31 -0.306 3.221 -8.397 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.769 3.140 -7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.594 4.480 -8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.924 3.198 -9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.993 2.208 -10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.637 2.683 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.811 4.209 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.346 5.156 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.506 4.253 -12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.948 3.271 -12.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.141 5.320 -13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.290 5.289 -12.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.892 6.241 -12.059 1.00 0.00 H new ATOM 456 N GLU A 32 -2.353 0.467 -8.955 1.00 0.00 N ATOM 457 CA GLU A 32 -2.734 -0.929 -9.087 1.00 0.00 C ATOM 458 C GLU A 32 -2.686 -1.623 -7.724 1.00 0.00 C ATOM 459 O GLU A 32 -3.667 -2.231 -7.299 1.00 0.00 O ATOM 460 CB GLU A 32 -1.840 -1.648 -10.100 1.00 0.00 C ATOM 461 CG GLU A 32 -2.265 -1.324 -11.533 1.00 0.00 C ATOM 462 CD GLU A 32 -1.455 -2.138 -12.543 1.00 0.00 C ATOM 463 OE1 GLU A 32 -0.939 -3.201 -12.133 1.00 0.00 O ATOM 464 OE2 GLU A 32 -1.369 -1.680 -13.703 1.00 0.00 O ATOM 0 H GLU A 32 -1.782 0.827 -9.719 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.757 -0.973 -9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.802 -1.352 -9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.891 -2.724 -9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.327 -1.536 -11.658 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.128 -0.260 -11.725 1.00 0.00 H new ATOM 471 N PHE A 33 -1.535 -1.510 -7.078 1.00 0.00 N ATOM 472 CA PHE A 33 -1.347 -2.118 -5.772 1.00 0.00 C ATOM 473 C PHE A 33 -2.461 -1.705 -4.808 1.00 0.00 C ATOM 474 O PHE A 33 -3.006 -2.540 -4.088 1.00 0.00 O ATOM 475 CB PHE A 33 -0.008 -1.613 -5.232 1.00 0.00 C ATOM 476 CG PHE A 33 0.417 -2.264 -3.914 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.822 -3.563 -3.897 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.390 -1.545 -2.760 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.217 -4.167 -2.674 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.784 -2.150 -1.537 1.00 0.00 C ATOM 481 CZ PHE A 33 1.190 -3.448 -1.520 1.00 0.00 C ATOM 0 H PHE A 33 -0.723 -1.006 -7.435 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.366 -3.204 -5.862 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.765 -1.792 -5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.069 -0.534 -5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.843 -4.134 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.069 -0.514 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.539 -5.198 -2.660 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.761 -1.579 -0.620 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.491 -3.908 -0.590 1.00 0.00 H new ATOM 491 N LYS A 34 -2.767 -0.416 -4.826 1.00 0.00 N ATOM 492 CA LYS A 34 -3.807 0.119 -3.963 1.00 0.00 C ATOM 493 C LYS A 34 -5.119 -0.619 -4.236 1.00 0.00 C ATOM 494 O LYS A 34 -5.851 -0.956 -3.306 1.00 0.00 O ATOM 495 CB LYS A 34 -3.909 1.637 -4.125 1.00 0.00 C ATOM 496 CG LYS A 34 -2.708 2.338 -3.489 1.00 0.00 C ATOM 497 CD LYS A 34 -3.066 3.765 -3.068 1.00 0.00 C ATOM 498 CE LYS A 34 -1.871 4.704 -3.243 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.098 5.973 -2.515 1.00 0.00 N ATOM 0 H LYS A 34 -2.313 0.274 -5.425 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.558 -0.050 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.964 1.890 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.830 1.995 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.370 1.773 -2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.879 2.361 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.905 4.124 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.388 3.771 -2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.966 4.223 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.714 4.909 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.243 6.223 -1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.313 6.730 -3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.898 5.859 -1.860 1.00 0.00 H new ATOM 513 N GLU A 35 -5.378 -0.848 -5.515 1.00 0.00 N ATOM 514 CA GLU A 35 -6.589 -1.539 -5.921 1.00 0.00 C ATOM 515 C GLU A 35 -6.536 -3.005 -5.485 1.00 0.00 C ATOM 516 O GLU A 35 -7.551 -3.576 -5.090 1.00 0.00 O ATOM 517 CB GLU A 35 -6.806 -1.424 -7.431 1.00 0.00 C ATOM 518 CG GLU A 35 -6.946 0.040 -7.855 1.00 0.00 C ATOM 519 CD GLU A 35 -7.616 0.152 -9.226 1.00 0.00 C ATOM 520 OE1 GLU A 35 -8.633 -0.548 -9.419 1.00 0.00 O ATOM 521 OE2 GLU A 35 -7.097 0.936 -10.049 1.00 0.00 O ATOM 0 H GLU A 35 -4.769 -0.567 -6.284 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.437 -1.064 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.968 -1.880 -7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.701 -1.976 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.533 0.582 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.962 0.509 -7.888 1.00 0.00 H new ATOM 528 N HIS A 36 -5.341 -3.572 -5.573 1.00 0.00 N ATOM 529 CA HIS A 36 -5.142 -4.960 -5.192 1.00 0.00 C ATOM 530 C HIS A 36 -5.442 -5.132 -3.702 1.00 0.00 C ATOM 531 O HIS A 36 -6.200 -6.020 -3.316 1.00 0.00 O ATOM 532 CB HIS A 36 -3.737 -5.431 -5.572 1.00 0.00 C ATOM 533 CG HIS A 36 -3.518 -6.915 -5.395 1.00 0.00 C ATOM 534 ND1 HIS A 36 -4.192 -7.866 -6.141 1.00 0.00 N ATOM 535 CD2 HIS A 36 -2.693 -7.599 -4.552 1.00 0.00 C ATOM 536 CE1 HIS A 36 -3.784 -9.066 -5.755 1.00 0.00 C ATOM 537 NE2 HIS A 36 -2.856 -8.899 -4.770 1.00 0.00 N ATOM 0 H HIS A 36 -4.502 -3.095 -5.902 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.837 -5.595 -5.742 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.545 -5.167 -6.612 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.008 -4.892 -4.967 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.021 -7.159 -3.830 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.126 -10.011 -6.151 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.367 -9.649 -4.281 1.00 0.00 H new ATOM 545 N ILE A 37 -4.832 -4.267 -2.905 1.00 0.00 N ATOM 546 CA ILE A 37 -5.024 -4.312 -1.465 1.00 0.00 C ATOM 547 C ILE A 37 -6.411 -3.764 -1.123 1.00 0.00 C ATOM 548 O ILE A 37 -7.040 -4.211 -0.164 1.00 0.00 O ATOM 549 CB ILE A 37 -3.883 -3.587 -0.749 1.00 0.00 C ATOM 550 CG1 ILE A 37 -4.035 -2.070 -0.872 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.523 -4.070 -1.257 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.192 -1.348 0.181 1.00 0.00 C ATOM 0 H ILE A 37 -4.205 -3.531 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.990 -5.341 -1.108 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.936 -3.831 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.731 -1.750 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.083 -1.795 -0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.729 -3.539 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.426 -5.140 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.444 -3.875 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.318 -0.271 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.515 -1.652 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.142 -1.606 0.046 1.00 0.00 H new ATOM 564 N ALA A 38 -6.848 -2.805 -1.926 1.00 0.00 N ATOM 565 CA ALA A 38 -8.149 -2.192 -1.720 1.00 0.00 C ATOM 566 C ALA A 38 -9.182 -3.282 -1.427 1.00 0.00 C ATOM 567 O ALA A 38 -10.180 -3.032 -0.754 1.00 0.00 O ATOM 568 CB ALA A 38 -8.518 -1.353 -2.945 1.00 0.00 C ATOM 0 H ALA A 38 -6.324 -2.438 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.125 -1.522 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.494 -0.893 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.769 -0.575 -3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.554 -1.993 -3.827 1.00 0.00 H new ATOM 574 N ALA A 39 -8.906 -4.469 -1.948 1.00 0.00 N ATOM 575 CA ALA A 39 -9.798 -5.598 -1.752 1.00 0.00 C ATOM 576 C ALA A 39 -9.764 -6.020 -0.281 1.00 0.00 C ATOM 577 O ALA A 39 -10.798 -6.054 0.383 1.00 0.00 O ATOM 578 CB ALA A 39 -9.399 -6.735 -2.694 1.00 0.00 C ATOM 0 H ALA A 39 -8.077 -4.673 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.825 -5.322 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.069 -7.582 -2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.468 -6.393 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.375 -7.041 -2.481 1.00 0.00 H new ATOM 584 N SER A 40 -8.563 -6.332 0.184 1.00 0.00 N ATOM 585 CA SER A 40 -8.380 -6.750 1.563 1.00 0.00 C ATOM 586 C SER A 40 -8.706 -5.593 2.509 1.00 0.00 C ATOM 587 O SER A 40 -9.642 -5.679 3.302 1.00 0.00 O ATOM 588 CB SER A 40 -6.952 -7.246 1.803 1.00 0.00 C ATOM 589 OG SER A 40 -6.778 -8.597 1.385 1.00 0.00 O ATOM 0 H SER A 40 -7.707 -6.304 -0.370 1.00 0.00 H new ATOM 0 HA SER A 40 -9.062 -7.577 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.251 -6.607 1.265 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.712 -7.161 2.863 1.00 0.00 H new ATOM 0 HG SER A 40 -5.853 -8.875 1.553 1.00 0.00 H new ATOM 595 N VAL A 41 -7.915 -4.535 2.393 1.00 0.00 N ATOM 596 CA VAL A 41 -8.109 -3.362 3.228 1.00 0.00 C ATOM 597 C VAL A 41 -9.561 -2.895 3.116 1.00 0.00 C ATOM 598 O VAL A 41 -10.128 -2.380 4.078 1.00 0.00 O ATOM 599 CB VAL A 41 -7.100 -2.277 2.847 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.665 -2.766 3.050 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.320 -1.805 1.408 1.00 0.00 C ATOM 0 H VAL A 41 -7.140 -4.466 1.734 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.926 -3.604 4.275 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.260 -1.425 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.968 -1.975 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.515 -3.030 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.487 -3.642 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.590 -1.034 1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.201 -2.647 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.326 -1.397 1.309 1.00 0.00 H new ATOM 611 N SER A 42 -10.122 -3.091 1.931 1.00 0.00 N ATOM 612 CA SER A 42 -11.497 -2.696 1.680 1.00 0.00 C ATOM 613 C SER A 42 -11.585 -1.176 1.522 1.00 0.00 C ATOM 614 O SER A 42 -12.609 -0.574 1.840 1.00 0.00 O ATOM 615 CB SER A 42 -12.420 -3.166 2.806 1.00 0.00 C ATOM 616 OG SER A 42 -13.621 -3.746 2.305 1.00 0.00 O ATOM 0 H SER A 42 -9.649 -3.518 1.135 1.00 0.00 H new ATOM 0 HA SER A 42 -11.825 -3.171 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.896 -3.895 3.424 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.666 -2.321 3.449 1.00 0.00 H new ATOM 0 HG SER A 42 -14.182 -4.035 3.055 1.00 0.00 H new ATOM 622 N ILE A 43 -10.497 -0.601 1.032 1.00 0.00 N ATOM 623 CA ILE A 43 -10.438 0.837 0.828 1.00 0.00 C ATOM 624 C ILE A 43 -10.026 1.127 -0.616 1.00 0.00 C ATOM 625 O ILE A 43 -9.164 0.444 -1.168 1.00 0.00 O ATOM 626 CB ILE A 43 -9.527 1.489 1.870 1.00 0.00 C ATOM 627 CG1 ILE A 43 -9.898 1.035 3.284 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.542 3.013 1.735 1.00 0.00 C ATOM 629 CD1 ILE A 43 -8.759 1.316 4.266 1.00 0.00 C ATOM 0 H ILE A 43 -9.649 -1.104 0.770 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.422 1.283 0.975 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.505 1.159 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.800 1.552 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.125 -0.031 3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.886 3.451 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.193 3.294 0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.558 3.381 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.048 0.984 5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.865 0.779 3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.551 2.386 4.286 1.00 0.00 H new ATOM 641 N PRO A 44 -10.678 2.166 -1.203 1.00 0.00 N ATOM 642 CA PRO A 44 -10.388 2.555 -2.572 1.00 0.00 C ATOM 643 C PRO A 44 -9.053 3.296 -2.661 1.00 0.00 C ATOM 644 O PRO A 44 -8.705 4.066 -1.766 1.00 0.00 O ATOM 645 CB PRO A 44 -11.571 3.408 -2.998 1.00 0.00 C ATOM 646 CG PRO A 44 -12.250 3.851 -1.712 1.00 0.00 C ATOM 647 CD PRO A 44 -11.704 2.997 -0.579 1.00 0.00 C ATOM 0 HA PRO A 44 -10.272 1.699 -3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.242 4.268 -3.582 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.257 2.839 -3.626 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.056 4.907 -1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.331 3.735 -1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.285 3.614 0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.488 2.388 -0.129 1.00 0.00 H new ATOM 655 N SER A 45 -8.340 3.039 -3.748 1.00 0.00 N ATOM 656 CA SER A 45 -7.051 3.673 -3.966 1.00 0.00 C ATOM 657 C SER A 45 -7.196 5.194 -3.888 1.00 0.00 C ATOM 658 O SER A 45 -6.336 5.875 -3.331 1.00 0.00 O ATOM 659 CB SER A 45 -6.457 3.264 -5.315 1.00 0.00 C ATOM 660 OG SER A 45 -7.011 4.016 -6.392 1.00 0.00 O ATOM 0 H SER A 45 -8.631 2.400 -4.488 1.00 0.00 H new ATOM 0 HA SER A 45 -6.369 3.339 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.376 3.404 -5.293 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.637 2.202 -5.484 1.00 0.00 H new ATOM 0 HG SER A 45 -6.605 3.727 -7.236 1.00 0.00 H new ATOM 666 N GLU A 46 -8.289 5.682 -4.454 1.00 0.00 N ATOM 667 CA GLU A 46 -8.558 7.110 -4.456 1.00 0.00 C ATOM 668 C GLU A 46 -8.740 7.617 -3.024 1.00 0.00 C ATOM 669 O GLU A 46 -8.743 8.824 -2.785 1.00 0.00 O ATOM 670 CB GLU A 46 -9.782 7.437 -5.313 1.00 0.00 C ATOM 671 CG GLU A 46 -11.003 6.638 -4.854 1.00 0.00 C ATOM 672 CD GLU A 46 -12.289 7.211 -5.452 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.831 8.154 -4.836 1.00 0.00 O ATOM 674 OE2 GLU A 46 -12.702 6.692 -6.512 1.00 0.00 O ATOM 0 H GLU A 46 -9.000 5.114 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.701 7.621 -4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.998 8.504 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.569 7.213 -6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.893 5.595 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.065 6.654 -3.766 1.00 0.00 H new ATOM 681 N LYS A 47 -8.888 6.671 -2.109 1.00 0.00 N ATOM 682 CA LYS A 47 -9.071 7.007 -0.707 1.00 0.00 C ATOM 683 C LYS A 47 -7.821 6.602 0.077 1.00 0.00 C ATOM 684 O LYS A 47 -7.553 7.145 1.148 1.00 0.00 O ATOM 685 CB LYS A 47 -10.362 6.384 -0.171 1.00 0.00 C ATOM 686 CG LYS A 47 -11.590 7.129 -0.698 1.00 0.00 C ATOM 687 CD LYS A 47 -12.854 6.699 0.049 1.00 0.00 C ATOM 688 CE LYS A 47 -13.093 7.582 1.276 1.00 0.00 C ATOM 689 NZ LYS A 47 -14.288 8.431 1.079 1.00 0.00 N ATOM 0 H LYS A 47 -8.885 5.671 -2.311 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.189 8.084 -0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.414 5.336 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.357 6.409 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.444 8.203 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.709 6.934 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.713 6.758 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.762 5.658 0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.225 6.958 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.220 8.209 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.435 9.024 1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.148 9.040 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.122 7.828 0.930 1.00 0.00 H new ATOM 703 N GLN A 48 -7.090 5.652 -0.487 1.00 0.00 N ATOM 704 CA GLN A 48 -5.874 5.169 0.147 1.00 0.00 C ATOM 705 C GLN A 48 -4.754 6.200 0.000 1.00 0.00 C ATOM 706 O GLN A 48 -4.910 7.197 -0.702 1.00 0.00 O ATOM 707 CB GLN A 48 -5.455 3.817 -0.434 1.00 0.00 C ATOM 708 CG GLN A 48 -6.420 2.711 -0.002 1.00 0.00 C ATOM 709 CD GLN A 48 -5.838 1.328 -0.299 1.00 0.00 C ATOM 710 OE1 GLN A 48 -4.903 0.870 0.336 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.442 0.690 -1.298 1.00 0.00 N ATOM 0 H GLN A 48 -7.316 5.204 -1.375 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.072 5.026 1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.429 3.877 -1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.445 3.573 -0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.627 2.801 1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.370 2.829 -0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.220 1.131 -1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.127 -0.240 -1.573 1.00 0.00 H new ATOM 720 N ARG A 49 -3.647 5.924 0.676 1.00 0.00 N ATOM 721 CA ARG A 49 -2.501 6.815 0.630 1.00 0.00 C ATOM 722 C ARG A 49 -1.278 6.140 1.255 1.00 0.00 C ATOM 723 O ARG A 49 -0.912 6.440 2.391 1.00 0.00 O ATOM 724 CB ARG A 49 -2.789 8.122 1.372 1.00 0.00 C ATOM 725 CG ARG A 49 -1.572 9.048 1.343 1.00 0.00 C ATOM 726 CD ARG A 49 -1.843 10.335 2.126 1.00 0.00 C ATOM 727 NE ARG A 49 -0.927 11.405 1.674 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.583 12.465 2.419 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.078 12.602 3.657 1.00 0.00 N ATOM 730 NH2 ARG A 49 0.255 13.387 1.927 1.00 0.00 N ATOM 0 H ARG A 49 -3.521 5.096 1.258 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.299 7.042 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.643 8.623 0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.061 7.906 2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.710 8.534 1.768 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.321 9.292 0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.878 10.646 1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.708 10.156 3.193 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.532 11.332 0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.716 11.900 4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.817 13.408 4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.632 13.283 0.985 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.516 14.193 2.494 1.00 0.00 H new ATOM 744 N LEU A 50 -0.681 5.241 0.487 1.00 0.00 N ATOM 745 CA LEU A 50 0.493 4.521 0.952 1.00 0.00 C ATOM 746 C LEU A 50 1.594 5.523 1.303 1.00 0.00 C ATOM 747 O LEU A 50 1.886 6.429 0.524 1.00 0.00 O ATOM 748 CB LEU A 50 0.921 3.473 -0.078 1.00 0.00 C ATOM 749 CG LEU A 50 -0.185 2.551 -0.596 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.351 1.601 -1.669 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.853 1.796 0.556 1.00 0.00 C ATOM 0 H LEU A 50 -0.988 4.994 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 50 0.264 3.966 1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.365 3.989 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.703 2.856 0.364 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.952 3.167 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.455 0.957 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.743 2.180 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.148 0.988 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.635 1.148 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.109 1.192 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.291 2.510 1.253 1.00 0.00 H new ATOM 763 N ILE A 51 2.176 5.326 2.478 1.00 0.00 N ATOM 764 CA ILE A 51 3.239 6.201 2.942 1.00 0.00 C ATOM 765 C ILE A 51 4.376 5.354 3.516 1.00 0.00 C ATOM 766 O ILE A 51 4.153 4.518 4.390 1.00 0.00 O ATOM 767 CB ILE A 51 2.689 7.238 3.924 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.659 8.143 3.245 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.822 8.041 4.566 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.585 8.593 4.238 1.00 0.00 C ATOM 0 H ILE A 51 1.931 4.574 3.122 1.00 0.00 H new ATOM 0 HA ILE A 51 3.653 6.771 2.111 1.00 0.00 H new ATOM 0 HB ILE A 51 2.175 6.709 4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.158 9.016 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.193 7.611 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.403 8.771 5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.485 7.366 5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.385 8.559 3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.134 9.235 3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.072 7.719 4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.052 9.146 5.053 1.00 0.00 H new ATOM 782 N TYR A 52 5.572 5.599 3.001 1.00 0.00 N ATOM 783 CA TYR A 52 6.745 4.870 3.451 1.00 0.00 C ATOM 784 C TYR A 52 7.673 5.773 4.266 1.00 0.00 C ATOM 785 O TYR A 52 8.087 6.831 3.795 1.00 0.00 O ATOM 786 CB TYR A 52 7.475 4.420 2.184 1.00 0.00 C ATOM 787 CG TYR A 52 8.814 3.730 2.448 1.00 0.00 C ATOM 788 CD1 TYR A 52 8.842 2.416 2.869 1.00 0.00 C ATOM 789 CD2 TYR A 52 9.994 4.422 2.266 1.00 0.00 C ATOM 790 CE1 TYR A 52 10.103 1.767 3.118 1.00 0.00 C ATOM 791 CE2 TYR A 52 11.256 3.772 2.515 1.00 0.00 C ATOM 792 CZ TYR A 52 11.248 2.477 2.929 1.00 0.00 C ATOM 793 OH TYR A 52 12.438 1.864 3.164 1.00 0.00 O ATOM 0 H TYR A 52 5.754 6.293 2.276 1.00 0.00 H new ATOM 0 HA TYR A 52 6.455 4.033 4.086 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.830 3.739 1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.645 5.288 1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.918 1.875 3.012 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.972 5.450 1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.139 0.739 3.448 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.187 4.302 2.376 1.00 0.00 H new ATOM 0 HH TYR A 52 13.170 2.491 2.987 1.00 0.00 H new ATOM 803 N GLN A 53 7.974 5.321 5.475 1.00 0.00 N ATOM 804 CA GLN A 53 8.845 6.075 6.360 1.00 0.00 C ATOM 805 C GLN A 53 8.171 7.383 6.782 1.00 0.00 C ATOM 806 O GLN A 53 7.808 7.551 7.945 1.00 0.00 O ATOM 807 CB GLN A 53 10.198 6.345 5.698 1.00 0.00 C ATOM 808 CG GLN A 53 10.977 5.044 5.494 1.00 0.00 C ATOM 809 CD GLN A 53 11.741 4.658 6.762 1.00 0.00 C ATOM 810 OE1 GLN A 53 11.626 5.285 7.803 1.00 0.00 O ATOM 811 NE2 GLN A 53 12.526 3.594 6.618 1.00 0.00 N ATOM 0 H GLN A 53 7.630 4.442 5.862 1.00 0.00 H new ATOM 0 HA GLN A 53 9.027 5.478 7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.045 6.836 4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.780 7.028 6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.290 4.243 5.221 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.676 5.160 4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.576 3.115 5.719 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.078 3.257 7.407 1.00 0.00 H new ATOM 820 N GLY A 54 8.024 8.275 5.814 1.00 0.00 N ATOM 821 CA GLY A 54 7.400 9.562 6.070 1.00 0.00 C ATOM 822 C GLY A 54 7.154 10.321 4.765 1.00 0.00 C ATOM 823 O GLY A 54 7.200 11.550 4.740 1.00 0.00 O ATOM 0 H GLY A 54 8.326 8.132 4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.455 9.414 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.038 10.155 6.725 1.00 0.00 H new ATOM 827 N ARG A 55 6.897 9.558 3.713 1.00 0.00 N ATOM 828 CA ARG A 55 6.644 10.144 2.407 1.00 0.00 C ATOM 829 C ARG A 55 5.516 9.393 1.698 1.00 0.00 C ATOM 830 O ARG A 55 5.465 8.164 1.734 1.00 0.00 O ATOM 831 CB ARG A 55 7.900 10.108 1.534 1.00 0.00 C ATOM 832 CG ARG A 55 8.619 11.458 1.552 1.00 0.00 C ATOM 833 CD ARG A 55 9.630 11.556 0.407 1.00 0.00 C ATOM 834 NE ARG A 55 11.008 11.557 0.947 1.00 0.00 N ATOM 835 CZ ARG A 55 12.108 11.701 0.196 1.00 0.00 C ATOM 836 NH1 ARG A 55 11.999 11.857 -1.130 1.00 0.00 N ATOM 837 NH2 ARG A 55 13.318 11.689 0.771 1.00 0.00 N ATOM 0 H ARG A 55 6.858 8.539 3.738 1.00 0.00 H new ATOM 0 HA ARG A 55 6.353 11.183 2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.573 9.329 1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.628 9.850 0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.890 12.264 1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.130 11.589 2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.499 10.718 -0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.455 12.466 -0.167 1.00 0.00 H new ATOM 0 HE ARG A 55 11.128 11.441 1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.078 11.866 -1.568 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.837 11.967 -1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.402 11.570 1.781 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.155 11.799 0.199 1.00 0.00 H new ATOM 851 N VAL A 56 4.639 10.162 1.070 1.00 0.00 N ATOM 852 CA VAL A 56 3.515 9.584 0.353 1.00 0.00 C ATOM 853 C VAL A 56 4.025 8.885 -0.909 1.00 0.00 C ATOM 854 O VAL A 56 5.027 9.300 -1.490 1.00 0.00 O ATOM 855 CB VAL A 56 2.471 10.663 0.058 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.945 11.593 -1.061 1.00 0.00 C ATOM 857 CG2 VAL A 56 1.118 10.038 -0.285 1.00 0.00 C ATOM 0 H VAL A 56 4.684 11.181 1.043 1.00 0.00 H new ATOM 0 HA VAL A 56 3.020 8.830 0.965 1.00 0.00 H new ATOM 0 HB VAL A 56 2.344 11.262 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.185 12.351 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.874 12.078 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.114 11.013 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.394 10.827 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.223 9.404 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.771 9.437 0.556 1.00 0.00 H new ATOM 867 N LEU A 57 3.313 7.837 -1.296 1.00 0.00 N ATOM 868 CA LEU A 57 3.681 7.077 -2.478 1.00 0.00 C ATOM 869 C LEU A 57 2.804 7.515 -3.654 1.00 0.00 C ATOM 870 O LEU A 57 1.578 7.475 -3.567 1.00 0.00 O ATOM 871 CB LEU A 57 3.619 5.576 -2.191 1.00 0.00 C ATOM 872 CG LEU A 57 4.589 5.056 -1.128 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.116 3.716 -0.562 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.014 4.974 -1.679 1.00 0.00 C ATOM 0 H LEU A 57 2.483 7.496 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 57 4.715 7.282 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.604 5.327 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.809 5.040 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 57 4.603 5.767 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.823 3.369 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.133 3.840 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.054 2.983 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.683 4.602 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.036 4.297 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.340 5.965 -1.994 1.00 0.00 H new ATOM 886 N GLN A 58 3.468 7.922 -4.726 1.00 0.00 N ATOM 887 CA GLN A 58 2.765 8.366 -5.917 1.00 0.00 C ATOM 888 C GLN A 58 2.119 7.175 -6.627 1.00 0.00 C ATOM 889 O GLN A 58 2.768 6.156 -6.853 1.00 0.00 O ATOM 890 CB GLN A 58 3.705 9.122 -6.858 1.00 0.00 C ATOM 891 CG GLN A 58 3.580 10.634 -6.660 1.00 0.00 C ATOM 892 CD GLN A 58 3.429 10.982 -5.178 1.00 0.00 C ATOM 893 OE1 GLN A 58 4.383 11.002 -4.418 1.00 0.00 O ATOM 894 NE2 GLN A 58 2.180 11.254 -4.811 1.00 0.00 N ATOM 0 H GLN A 58 4.485 7.953 -4.794 1.00 0.00 H new ATOM 0 HA GLN A 58 1.976 9.055 -5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.734 8.812 -6.676 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.473 8.867 -7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.461 11.132 -7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.719 11.007 -7.214 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.427 11.219 -5.499 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.975 11.498 -3.842 1.00 0.00 H new ATOM 903 N ASP A 59 0.847 7.344 -6.960 1.00 0.00 N ATOM 904 CA ASP A 59 0.106 6.295 -7.640 1.00 0.00 C ATOM 905 C ASP A 59 0.857 5.887 -8.909 1.00 0.00 C ATOM 906 O ASP A 59 1.177 4.714 -9.094 1.00 0.00 O ATOM 907 CB ASP A 59 -1.285 6.782 -8.050 1.00 0.00 C ATOM 908 CG ASP A 59 -1.380 8.274 -8.372 1.00 0.00 C ATOM 909 OD1 ASP A 59 -1.077 8.624 -9.533 1.00 0.00 O ATOM 910 OD2 ASP A 59 -1.753 9.032 -7.450 1.00 0.00 O ATOM 0 H ASP A 59 0.311 8.191 -6.772 1.00 0.00 H new ATOM 0 HA ASP A 59 0.006 5.453 -6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.608 6.216 -8.924 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.985 6.554 -7.246 1.00 0.00 H new ATOM 915 N ASP A 60 1.116 6.878 -9.750 1.00 0.00 N ATOM 916 CA ASP A 60 1.823 6.636 -10.996 1.00 0.00 C ATOM 917 C ASP A 60 3.093 5.833 -10.709 1.00 0.00 C ATOM 918 O ASP A 60 3.439 4.923 -11.461 1.00 0.00 O ATOM 919 CB ASP A 60 2.235 7.952 -11.659 1.00 0.00 C ATOM 920 CG ASP A 60 1.775 8.117 -13.109 1.00 0.00 C ATOM 921 OD1 ASP A 60 0.728 7.520 -13.444 1.00 0.00 O ATOM 922 OD2 ASP A 60 2.479 8.836 -13.850 1.00 0.00 O ATOM 0 H ASP A 60 0.849 7.850 -9.593 1.00 0.00 H new ATOM 0 HA ASP A 60 1.156 6.090 -11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.836 8.778 -11.071 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.321 8.033 -11.627 1.00 0.00 H new ATOM 927 N LYS A 61 3.753 6.199 -9.620 1.00 0.00 N ATOM 928 CA LYS A 61 4.977 5.524 -9.225 1.00 0.00 C ATOM 929 C LYS A 61 4.680 4.045 -8.972 1.00 0.00 C ATOM 930 O LYS A 61 3.519 3.646 -8.891 1.00 0.00 O ATOM 931 CB LYS A 61 5.620 6.235 -8.032 1.00 0.00 C ATOM 932 CG LYS A 61 6.791 7.111 -8.482 1.00 0.00 C ATOM 933 CD LYS A 61 8.114 6.348 -8.386 1.00 0.00 C ATOM 934 CE LYS A 61 9.295 7.313 -8.262 1.00 0.00 C ATOM 935 NZ LYS A 61 10.166 6.924 -7.130 1.00 0.00 N ATOM 0 H LYS A 61 3.463 6.954 -8.999 1.00 0.00 H new ATOM 0 HA LYS A 61 5.713 5.569 -10.028 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.875 6.849 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.970 5.497 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.630 7.440 -9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.838 8.007 -7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.092 5.682 -7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.242 5.722 -9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.870 7.314 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.928 8.329 -8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.709 7.751 -6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.580 6.570 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.821 6.177 -7.437 1.00 0.00 H new ATOM 949 N LYS A 62 5.749 3.271 -8.855 1.00 0.00 N ATOM 950 CA LYS A 62 5.617 1.844 -8.613 1.00 0.00 C ATOM 951 C LYS A 62 6.267 1.496 -7.272 1.00 0.00 C ATOM 952 O LYS A 62 7.099 2.249 -6.767 1.00 0.00 O ATOM 953 CB LYS A 62 6.177 1.046 -9.792 1.00 0.00 C ATOM 954 CG LYS A 62 5.612 1.560 -11.118 1.00 0.00 C ATOM 955 CD LYS A 62 6.603 1.332 -12.262 1.00 0.00 C ATOM 956 CE LYS A 62 5.873 0.960 -13.554 1.00 0.00 C ATOM 957 NZ LYS A 62 6.680 1.343 -14.734 1.00 0.00 N ATOM 0 H LYS A 62 6.710 3.605 -8.923 1.00 0.00 H new ATOM 0 HA LYS A 62 4.565 1.566 -8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.264 1.120 -9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.931 -0.009 -9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.673 1.052 -11.339 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.387 2.623 -11.034 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.194 2.234 -12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.299 0.538 -11.992 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.677 -0.112 -13.572 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.906 1.461 -13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.170 1.083 -15.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.845 2.370 -14.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.593 0.845 -14.707 1.00 0.00 H new ATOM 971 N LEU A 63 5.863 0.355 -6.733 1.00 0.00 N ATOM 972 CA LEU A 63 6.396 -0.101 -5.460 1.00 0.00 C ATOM 973 C LEU A 63 7.907 -0.305 -5.589 1.00 0.00 C ATOM 974 O LEU A 63 8.684 0.303 -4.854 1.00 0.00 O ATOM 975 CB LEU A 63 5.646 -1.345 -4.981 1.00 0.00 C ATOM 976 CG LEU A 63 4.165 -1.423 -5.359 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.540 -0.027 -5.417 1.00 0.00 C ATOM 978 CD2 LEU A 63 3.972 -2.192 -6.667 1.00 0.00 C ATOM 0 H LEU A 63 5.173 -0.267 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 63 6.241 0.653 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.149 -2.225 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.727 -1.398 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 63 3.643 -1.978 -4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.487 -0.111 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.627 0.451 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.060 0.574 -6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.911 -2.232 -6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.511 -1.687 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.357 -3.205 -6.553 1.00 0.00 H new ATOM 990 N GLN A 64 8.278 -1.164 -6.527 1.00 0.00 N ATOM 991 CA GLN A 64 9.682 -1.456 -6.761 1.00 0.00 C ATOM 992 C GLN A 64 10.495 -0.161 -6.795 1.00 0.00 C ATOM 993 O GLN A 64 11.553 -0.071 -6.173 1.00 0.00 O ATOM 994 CB GLN A 64 9.868 -2.254 -8.053 1.00 0.00 C ATOM 995 CG GLN A 64 11.262 -2.881 -8.114 1.00 0.00 C ATOM 996 CD GLN A 64 11.631 -3.259 -9.550 1.00 0.00 C ATOM 997 OE1 GLN A 64 11.030 -2.809 -10.512 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.651 -4.108 -9.641 1.00 0.00 N ATOM 0 H GLN A 64 7.631 -1.667 -7.134 1.00 0.00 H new ATOM 0 HA GLN A 64 10.047 -2.070 -5.938 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.111 -3.036 -8.114 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.721 -1.600 -8.913 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.997 -2.180 -7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.294 -3.768 -7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.110 -4.446 -8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.974 -4.421 -10.557 1.00 0.00 H new ATOM 1007 N GLU A 65 9.971 0.811 -7.527 1.00 0.00 N ATOM 1008 CA GLU A 65 10.635 2.098 -7.650 1.00 0.00 C ATOM 1009 C GLU A 65 11.094 2.591 -6.276 1.00 0.00 C ATOM 1010 O GLU A 65 12.134 3.238 -6.160 1.00 0.00 O ATOM 1011 CB GLU A 65 9.723 3.124 -8.325 1.00 0.00 C ATOM 1012 CG GLU A 65 10.209 3.443 -9.740 1.00 0.00 C ATOM 1013 CD GLU A 65 11.613 4.051 -9.713 1.00 0.00 C ATOM 1014 OE1 GLU A 65 11.708 5.244 -9.352 1.00 0.00 O ATOM 1015 OE2 GLU A 65 12.559 3.309 -10.054 1.00 0.00 O ATOM 0 H GLU A 65 9.094 0.733 -8.041 1.00 0.00 H new ATOM 0 HA GLU A 65 11.514 1.973 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.704 2.739 -8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.696 4.038 -7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.214 2.533 -10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.517 4.137 -10.218 1.00 0.00 H new ATOM 1022 N TYR A 66 10.295 2.268 -5.270 1.00 0.00 N ATOM 1023 CA TYR A 66 10.606 2.671 -3.909 1.00 0.00 C ATOM 1024 C TYR A 66 11.412 1.589 -3.187 1.00 0.00 C ATOM 1025 O TYR A 66 12.172 1.885 -2.266 1.00 0.00 O ATOM 1026 CB TYR A 66 9.260 2.844 -3.202 1.00 0.00 C ATOM 1027 CG TYR A 66 8.534 4.143 -3.556 1.00 0.00 C ATOM 1028 CD1 TYR A 66 9.000 5.348 -3.073 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.412 4.109 -4.360 1.00 0.00 C ATOM 1030 CE1 TYR A 66 8.316 6.571 -3.406 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.728 5.331 -4.694 1.00 0.00 C ATOM 1032 CZ TYR A 66 7.214 6.502 -4.200 1.00 0.00 C ATOM 1033 OH TYR A 66 6.568 7.657 -4.516 1.00 0.00 O ATOM 0 H TYR A 66 9.433 1.732 -5.370 1.00 0.00 H new ATOM 0 HA TYR A 66 11.200 3.585 -3.906 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.618 2.000 -3.454 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.420 2.811 -2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.878 5.374 -2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.047 3.165 -4.738 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.670 7.521 -3.034 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.850 5.319 -5.322 1.00 0.00 H new ATOM 0 HH TYR A 66 6.428 7.699 -5.485 1.00 0.00 H new ATOM 1043 N ASN A 67 11.219 0.356 -3.633 1.00 0.00 N ATOM 1044 CA ASN A 67 11.918 -0.772 -3.042 1.00 0.00 C ATOM 1045 C ASN A 67 11.248 -1.144 -1.717 1.00 0.00 C ATOM 1046 O ASN A 67 11.920 -1.295 -0.698 1.00 0.00 O ATOM 1047 CB ASN A 67 13.379 -0.423 -2.750 1.00 0.00 C ATOM 1048 CG ASN A 67 14.273 -1.659 -2.872 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.548 -2.154 -3.953 1.00 0.00 O ATOM 1050 ND2 ASN A 67 14.709 -2.127 -1.706 1.00 0.00 N ATOM 0 H ASN A 67 10.588 0.114 -4.397 1.00 0.00 H new ATOM 0 HA ASN A 67 11.879 -1.601 -3.749 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.719 0.346 -3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.463 -0.006 -1.746 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.312 -2.949 -1.680 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.440 -1.664 -0.838 1.00 0.00 H new ATOM 1057 N VAL A 68 9.932 -1.282 -1.775 1.00 0.00 N ATOM 1058 CA VAL A 68 9.163 -1.634 -0.593 1.00 0.00 C ATOM 1059 C VAL A 68 9.004 -3.155 -0.528 1.00 0.00 C ATOM 1060 O VAL A 68 8.058 -3.658 0.077 1.00 0.00 O ATOM 1061 CB VAL A 68 7.825 -0.892 -0.599 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.035 0.616 -0.743 1.00 0.00 C ATOM 1063 CG2 VAL A 68 6.907 -1.426 -1.701 1.00 0.00 C ATOM 0 H VAL A 68 9.378 -1.156 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 68 9.687 -1.323 0.311 1.00 0.00 H new ATOM 0 HB VAL A 68 7.338 -1.072 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.068 1.119 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.633 0.981 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.553 0.823 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.963 -0.882 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.386 -1.291 -2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.718 -2.486 -1.535 1.00 0.00 H new ATOM 1073 N GLY A 69 9.943 -3.844 -1.160 1.00 0.00 N ATOM 1074 CA GLY A 69 9.918 -5.296 -1.181 1.00 0.00 C ATOM 1075 C GLY A 69 10.153 -5.869 0.218 1.00 0.00 C ATOM 1076 O GLY A 69 11.219 -5.678 0.801 1.00 0.00 O ATOM 0 H GLY A 69 10.726 -3.423 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.957 -5.641 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.683 -5.667 -1.863 1.00 0.00 H new ATOM 1080 N GLY A 70 9.138 -6.561 0.717 1.00 0.00 N ATOM 1081 CA GLY A 70 9.220 -7.163 2.037 1.00 0.00 C ATOM 1082 C GLY A 70 9.288 -6.090 3.126 1.00 0.00 C ATOM 1083 O GLY A 70 9.517 -6.399 4.294 1.00 0.00 O ATOM 0 H GLY A 70 8.255 -6.718 0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.352 -7.801 2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.101 -7.802 2.095 1.00 0.00 H new ATOM 1087 N LYS A 71 9.084 -4.850 2.704 1.00 0.00 N ATOM 1088 CA LYS A 71 9.119 -3.730 3.629 1.00 0.00 C ATOM 1089 C LYS A 71 7.713 -3.487 4.182 1.00 0.00 C ATOM 1090 O LYS A 71 6.735 -4.014 3.654 1.00 0.00 O ATOM 1091 CB LYS A 71 9.738 -2.502 2.959 1.00 0.00 C ATOM 1092 CG LYS A 71 11.197 -2.760 2.579 1.00 0.00 C ATOM 1093 CD LYS A 71 12.117 -2.590 3.790 1.00 0.00 C ATOM 1094 CE LYS A 71 13.569 -2.900 3.424 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.497 -2.144 4.295 1.00 0.00 N ATOM 0 H LYS A 71 8.894 -4.597 1.734 1.00 0.00 H new ATOM 0 HA LYS A 71 9.761 -3.958 4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.167 -2.244 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.680 -1.648 3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.299 -3.769 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.498 -2.072 1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.043 -1.570 4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.792 -3.251 4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.755 -3.969 3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.750 -2.643 2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.478 -2.367 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.330 -1.124 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.335 -2.409 5.288 1.00 0.00 H new ATOM 1109 N VAL A 72 7.657 -2.688 5.237 1.00 0.00 N ATOM 1110 CA VAL A 72 6.388 -2.368 5.867 1.00 0.00 C ATOM 1111 C VAL A 72 6.010 -0.922 5.539 1.00 0.00 C ATOM 1112 O VAL A 72 6.681 0.013 5.974 1.00 0.00 O ATOM 1113 CB VAL A 72 6.467 -2.638 7.371 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.310 -1.964 8.111 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.499 -4.141 7.657 1.00 0.00 C ATOM 0 H VAL A 72 8.471 -2.253 5.672 1.00 0.00 H new ATOM 0 HA VAL A 72 5.597 -3.008 5.476 1.00 0.00 H new ATOM 0 HB VAL A 72 7.397 -2.206 7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.390 -2.172 9.178 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.351 -0.887 7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.363 -2.352 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.555 -4.305 8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.594 -4.605 7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.371 -4.584 7.176 1.00 0.00 H new ATOM 1125 N ILE A 73 4.938 -0.783 4.773 1.00 0.00 N ATOM 1126 CA ILE A 73 4.463 0.533 4.382 1.00 0.00 C ATOM 1127 C ILE A 73 3.450 1.033 5.413 1.00 0.00 C ATOM 1128 O ILE A 73 3.050 0.288 6.307 1.00 0.00 O ATOM 1129 CB ILE A 73 3.920 0.503 2.951 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.775 -0.400 2.059 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.795 1.918 2.383 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.075 -0.676 0.727 1.00 0.00 C ATOM 0 H ILE A 73 4.385 -1.560 4.413 1.00 0.00 H new ATOM 0 HA ILE A 73 5.286 1.247 4.372 1.00 0.00 H new ATOM 0 HB ILE A 73 2.918 0.076 2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.740 0.072 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.973 -1.341 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.407 1.869 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.114 2.500 3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.775 2.395 2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.704 -1.320 0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.121 -1.170 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.900 0.265 0.206 1.00 0.00 H new ATOM 1144 N HIS A 74 3.063 2.290 5.255 1.00 0.00 N ATOM 1145 CA HIS A 74 2.105 2.898 6.162 1.00 0.00 C ATOM 1146 C HIS A 74 0.942 3.487 5.360 1.00 0.00 C ATOM 1147 O HIS A 74 1.033 4.607 4.859 1.00 0.00 O ATOM 1148 CB HIS A 74 2.787 3.930 7.062 1.00 0.00 C ATOM 1149 CG HIS A 74 3.704 3.328 8.100 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.248 2.847 9.315 1.00 0.00 N ATOM 1151 CD2 HIS A 74 5.054 3.135 8.092 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.285 2.387 9.999 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.404 2.568 9.240 1.00 0.00 N ATOM 0 H HIS A 74 3.396 2.904 4.512 1.00 0.00 H new ATOM 0 HA HIS A 74 1.695 2.137 6.827 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.361 4.617 6.440 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.022 4.520 7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.725 3.399 7.288 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.251 1.946 10.984 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.353 2.310 9.510 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.124 2.706 5.264 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.303 3.136 4.531 1.00 0.00 C ATOM 1163 C LEU A 75 -2.223 3.919 5.470 1.00 0.00 C ATOM 1164 O LEU A 75 -2.268 3.649 6.669 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.982 1.941 3.859 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.503 2.028 3.715 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.893 2.996 2.597 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -4.114 0.640 3.512 1.00 0.00 C ATOM 0 H LEU A 75 -0.196 1.778 5.681 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.024 3.810 3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.550 1.813 2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.742 1.044 4.429 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.912 2.427 4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.979 3.039 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.506 3.989 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.472 2.650 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.196 0.730 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.703 0.190 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.880 0.010 4.370 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.935 4.873 4.888 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.852 5.697 5.657 1.00 0.00 C ATOM 1182 C VAL A 76 -5.109 5.966 4.827 1.00 0.00 C ATOM 1183 O VAL A 76 -5.031 6.119 3.609 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.150 6.979 6.111 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -2.001 6.664 7.071 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -2.655 7.787 4.909 1.00 0.00 C ATOM 0 H VAL A 76 -2.895 5.094 3.893 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.165 5.176 6.562 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.877 7.588 6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.519 7.592 7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.391 6.150 7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.273 6.026 6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.160 8.693 5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.950 7.187 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.502 8.057 4.278 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.238 6.015 5.519 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.509 6.262 4.861 1.00 0.00 C ATOM 1198 C GLU A 77 -8.021 7.663 5.205 1.00 0.00 C ATOM 1199 O GLU A 77 -8.156 8.008 6.378 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.538 5.195 5.238 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.956 5.653 4.891 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.131 5.796 3.377 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -9.109 5.652 2.672 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.283 6.045 2.960 1.00 0.00 O ATOM 0 H GLU A 77 -6.298 5.888 6.529 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.355 6.207 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.313 4.267 4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.472 4.982 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.679 4.935 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.163 6.607 5.376 1.00 0.00 H new ATOM 1211 N ARG A 78 -8.292 8.432 4.160 1.00 0.00 N ATOM 1212 CA ARG A 78 -8.786 9.787 4.337 1.00 0.00 C ATOM 1213 C ARG A 78 -9.809 9.835 5.473 1.00 0.00 C ATOM 1214 O ARG A 78 -10.399 8.815 5.826 1.00 0.00 O ATOM 1215 CB ARG A 78 -9.435 10.308 3.053 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.615 11.449 2.448 1.00 0.00 C ATOM 1217 CD ARG A 78 -8.594 11.360 0.921 1.00 0.00 C ATOM 1218 NE ARG A 78 -9.021 12.650 0.333 1.00 0.00 N ATOM 1219 CZ ARG A 78 -8.390 13.814 0.537 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -7.300 13.858 1.315 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -8.849 14.934 -0.037 1.00 0.00 N ATOM 0 H ARG A 78 -8.179 8.142 3.189 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.934 10.421 4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.523 9.496 2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.446 10.656 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.037 12.406 2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.596 11.412 2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.591 11.108 0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.256 10.561 0.586 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.847 12.653 -0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.951 13.005 1.752 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.820 14.744 1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.679 14.900 -0.629 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.369 15.820 0.118 1.00 0.00 H new ATOM 1235 N ALA A 79 -9.988 11.031 6.015 1.00 0.00 N ATOM 1236 CA ALA A 79 -10.929 11.225 7.105 1.00 0.00 C ATOM 1237 C ALA A 79 -11.973 12.264 6.691 1.00 0.00 C ATOM 1238 O ALA A 79 -11.683 13.458 6.648 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.170 11.633 8.369 1.00 0.00 C ATOM 0 H ALA A 79 -9.497 11.875 5.720 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.456 10.297 7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.876 11.778 9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.461 10.849 8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.631 12.562 8.186 1.00 0.00 H new ATOM 1245 N PRO A 80 -13.200 11.758 6.390 1.00 0.00 N ATOM 1246 CA PRO A 80 -14.289 12.629 5.982 1.00 0.00 C ATOM 1247 C PRO A 80 -14.859 13.392 7.179 1.00 0.00 C ATOM 1248 O PRO A 80 -15.816 12.942 7.808 1.00 0.00 O ATOM 1249 CB PRO A 80 -15.304 11.707 5.326 1.00 0.00 C ATOM 1250 CG PRO A 80 -14.964 10.305 5.804 1.00 0.00 C ATOM 1251 CD PRO A 80 -13.580 10.349 6.431 1.00 0.00 C ATOM 0 HA PRO A 80 -13.969 13.406 5.288 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -16.320 11.980 5.609 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.247 11.774 4.240 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.701 9.960 6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.983 9.602 4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.596 9.973 7.454 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.874 9.732 5.876 1.00 0.00 H new ATOM 1259 N SER A 81 -14.247 14.534 7.458 1.00 0.00 N ATOM 1260 CA SER A 81 -14.682 15.364 8.569 1.00 0.00 C ATOM 1261 C SER A 81 -14.928 14.496 9.805 1.00 0.00 C ATOM 1262 O SER A 81 -16.055 14.071 10.055 1.00 0.00 O ATOM 1263 CB SER A 81 -15.947 16.146 8.210 1.00 0.00 C ATOM 1264 OG SER A 81 -16.203 17.200 9.134 1.00 0.00 O ATOM 0 H SER A 81 -13.454 14.904 6.934 1.00 0.00 H new ATOM 0 HA SER A 81 -13.893 16.083 8.788 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.845 16.560 7.207 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.799 15.467 8.189 1.00 0.00 H new ATOM 0 HG SER A 81 -17.018 17.676 8.870 1.00 0.00 H new ATOM 1270 N GLY A 82 -13.855 14.261 10.546 1.00 0.00 N ATOM 1271 CA GLY A 82 -13.940 13.452 11.750 1.00 0.00 C ATOM 1272 C GLY A 82 -12.547 13.142 12.303 1.00 0.00 C ATOM 1273 O GLY A 82 -11.656 12.737 11.558 1.00 0.00 O ATOM 0 H GLY A 82 -12.922 14.617 10.336 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.526 13.977 12.504 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.463 12.521 11.531 1.00 0.00 H new ATOM 1277 N PRO A 83 -12.399 13.351 13.638 1.00 0.00 N ATOM 1278 CA PRO A 83 -11.130 13.098 14.299 1.00 0.00 C ATOM 1279 C PRO A 83 -10.891 11.597 14.472 1.00 0.00 C ATOM 1280 O PRO A 83 -11.684 10.908 15.110 1.00 0.00 O ATOM 1281 CB PRO A 83 -11.221 13.841 15.622 1.00 0.00 C ATOM 1282 CG PRO A 83 -12.701 14.094 15.858 1.00 0.00 C ATOM 1283 CD PRO A 83 -13.433 13.830 14.552 1.00 0.00 C ATOM 0 HA PRO A 83 -10.276 13.448 13.718 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.792 13.251 16.432 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.666 14.778 15.582 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.079 13.442 16.646 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.865 15.120 16.187 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -14.221 13.088 14.683 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.907 14.736 14.174 1.00 0.00 H new ATOM 1291 N SER A 84 -9.793 11.135 13.891 1.00 0.00 N ATOM 1292 CA SER A 84 -9.439 9.728 13.973 1.00 0.00 C ATOM 1293 C SER A 84 -7.950 9.545 13.673 1.00 0.00 C ATOM 1294 O SER A 84 -7.565 9.337 12.523 1.00 0.00 O ATOM 1295 CB SER A 84 -10.281 8.891 13.008 1.00 0.00 C ATOM 1296 OG SER A 84 -10.088 7.493 13.205 1.00 0.00 O ATOM 0 H SER A 84 -9.137 11.710 13.362 1.00 0.00 H new ATOM 0 HA SER A 84 -9.645 9.382 14.986 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.335 9.134 13.142 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.022 9.152 11.982 1.00 0.00 H new ATOM 0 HG SER A 84 -10.644 6.993 12.571 1.00 0.00 H new ATOM 1302 N SER A 85 -7.152 9.629 14.727 1.00 0.00 N ATOM 1303 CA SER A 85 -5.714 9.475 14.592 1.00 0.00 C ATOM 1304 C SER A 85 -5.187 8.511 15.656 1.00 0.00 C ATOM 1305 O SER A 85 -4.596 7.482 15.330 1.00 0.00 O ATOM 1306 CB SER A 85 -5.002 10.825 14.700 1.00 0.00 C ATOM 1307 OG SER A 85 -4.484 11.258 13.446 1.00 0.00 O ATOM 0 H SER A 85 -7.475 9.802 15.679 1.00 0.00 H new ATOM 0 HA SER A 85 -5.507 9.063 13.604 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.698 11.572 15.082 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.188 10.749 15.421 1.00 0.00 H new ATOM 0 HG SER A 85 -4.039 12.124 13.557 1.00 0.00 H new ATOM 1313 N GLY A 86 -5.422 8.877 16.908 1.00 0.00 N ATOM 1314 CA GLY A 86 -4.979 8.057 18.023 1.00 0.00 C ATOM 1315 C GLY A 86 -3.455 7.923 18.034 1.00 0.00 C ATOM 1316 O GLY A 86 -2.853 7.724 19.088 1.00 0.00 O ATOM 0 H GLY A 86 -5.913 9.730 17.175 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.315 8.500 18.961 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.434 7.069 17.956 1.00 0.00 H new TER 1320 GLY A 86