USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 682 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 Single : A 1 GLY N :NH3+ -101:sc= 0.0458 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.251 K(o=-0.25,f=-2.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= -0.0621 (180deg=-0.362) USER MOD Single : A 20 LYS NZ :NH3+ 154:sc= -0.163 (180deg=-0.638) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0869 USER MOD Single : A 22 GLN : amide:sc= -0.161 K(o=-0.16,f=-2.2!) USER MOD Single : A 24 GLN : amide:sc= -3.01! C(o=-3!,f=-5.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 100:sc= -0.0126 USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0286) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0595 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.28) USER MOD Single : A 50 THR OG1 : rot -83:sc= 0.571 USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= 0.952 (180deg=0.0293) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -56:sc= 0.041 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= -0.0185 (180deg=-0.255) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.443 32.709 -23.784 1.00 0.00 N ATOM 2 CA GLY A 1 2.481 32.787 -22.702 1.00 0.00 C ATOM 3 C GLY A 1 2.561 31.595 -21.767 1.00 0.00 C ATOM 4 O GLY A 1 3.051 30.532 -22.148 1.00 0.00 O ATOM 0 H1 GLY A 1 4.257 33.320 -23.570 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.767 31.726 -23.890 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.997 33.024 -24.669 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.651 33.702 -22.134 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.476 32.852 -23.118 1.00 0.00 H new ATOM 8 N SER A 2 2.080 31.774 -20.542 1.00 0.00 N ATOM 9 CA SER A 2 2.105 30.706 -19.547 1.00 0.00 C ATOM 10 C SER A 2 0.857 30.750 -18.672 1.00 0.00 C ATOM 11 O SER A 2 0.589 31.751 -18.006 1.00 0.00 O ATOM 12 CB SER A 2 3.358 30.820 -18.678 1.00 0.00 C ATOM 13 OG SER A 2 3.468 29.716 -17.796 1.00 0.00 O ATOM 0 H SER A 2 1.668 32.647 -20.213 1.00 0.00 H new ATOM 0 HA SER A 2 2.123 29.752 -20.073 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.242 30.871 -19.314 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.324 31.746 -18.104 1.00 0.00 H new ATOM 0 HG SER A 2 4.278 29.811 -17.252 1.00 0.00 H new ATOM 19 N SER A 3 0.098 29.660 -18.678 1.00 0.00 N ATOM 20 CA SER A 3 -1.124 29.574 -17.886 1.00 0.00 C ATOM 21 C SER A 3 -1.406 28.132 -17.475 1.00 0.00 C ATOM 22 O SER A 3 -0.801 27.197 -17.997 1.00 0.00 O ATOM 23 CB SER A 3 -2.309 30.132 -18.678 1.00 0.00 C ATOM 24 OG SER A 3 -3.359 30.526 -17.813 1.00 0.00 O ATOM 0 H SER A 3 0.307 28.823 -19.223 1.00 0.00 H new ATOM 0 HA SER A 3 -0.986 30.169 -16.983 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.984 30.986 -19.273 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.672 29.377 -19.376 1.00 0.00 H new ATOM 0 HG SER A 3 -4.103 30.881 -18.343 1.00 0.00 H new ATOM 30 N GLY A 4 -2.329 27.962 -16.534 1.00 0.00 N ATOM 31 CA GLY A 4 -2.675 26.632 -16.067 1.00 0.00 C ATOM 32 C GLY A 4 -4.026 26.593 -15.380 1.00 0.00 C ATOM 33 O GLY A 4 -4.381 27.510 -14.641 1.00 0.00 O ATOM 0 H GLY A 4 -2.843 28.721 -16.087 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.680 25.943 -16.912 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.909 26.282 -15.375 1.00 0.00 H new ATOM 37 N SER A 5 -4.781 25.527 -15.626 1.00 0.00 N ATOM 38 CA SER A 5 -6.104 25.373 -15.030 1.00 0.00 C ATOM 39 C SER A 5 -6.337 23.931 -14.589 1.00 0.00 C ATOM 40 O SER A 5 -5.721 23.003 -15.114 1.00 0.00 O ATOM 41 CB SER A 5 -7.187 25.796 -16.024 1.00 0.00 C ATOM 42 OG SER A 5 -8.436 25.964 -15.376 1.00 0.00 O ATOM 0 H SER A 5 -4.500 24.757 -16.233 1.00 0.00 H new ATOM 0 HA SER A 5 -6.156 26.016 -14.151 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.897 26.728 -16.508 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.279 25.045 -16.808 1.00 0.00 H new ATOM 0 HG SER A 5 -9.111 26.236 -16.032 1.00 0.00 H new ATOM 48 N SER A 6 -7.232 23.752 -13.622 1.00 0.00 N ATOM 49 CA SER A 6 -7.544 22.423 -13.108 1.00 0.00 C ATOM 50 C SER A 6 -9.033 22.299 -12.798 1.00 0.00 C ATOM 51 O SER A 6 -9.550 22.964 -11.904 1.00 0.00 O ATOM 52 CB SER A 6 -6.724 22.135 -11.848 1.00 0.00 C ATOM 53 OG SER A 6 -5.380 21.827 -12.176 1.00 0.00 O ATOM 0 H SER A 6 -7.753 24.509 -13.179 1.00 0.00 H new ATOM 0 HA SER A 6 -7.287 21.693 -13.875 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.751 23.001 -11.186 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.169 21.303 -11.303 1.00 0.00 H new ATOM 0 HG SER A 6 -4.876 21.648 -11.355 1.00 0.00 H new ATOM 59 N GLY A 7 -9.716 21.438 -13.548 1.00 0.00 N ATOM 60 CA GLY A 7 -11.139 21.241 -13.341 1.00 0.00 C ATOM 61 C GLY A 7 -11.493 19.786 -13.102 1.00 0.00 C ATOM 62 O GLY A 7 -11.027 18.901 -13.818 1.00 0.00 O ATOM 0 H GLY A 7 -9.309 20.874 -14.294 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.465 21.836 -12.488 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.684 21.606 -14.211 1.00 0.00 H new ATOM 66 N ALA A 8 -12.319 19.536 -12.090 1.00 0.00 N ATOM 67 CA ALA A 8 -12.736 18.180 -11.760 1.00 0.00 C ATOM 68 C ALA A 8 -14.114 17.873 -12.333 1.00 0.00 C ATOM 69 O ALA A 8 -15.098 18.532 -11.995 1.00 0.00 O ATOM 70 CB ALA A 8 -12.732 17.980 -10.251 1.00 0.00 C ATOM 0 H ALA A 8 -12.712 20.257 -11.485 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.024 17.488 -12.210 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.046 16.962 -10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.727 18.147 -9.864 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.421 18.687 -9.788 1.00 0.00 H new ATOM 76 N TYR A 9 -14.178 16.872 -13.203 1.00 0.00 N ATOM 77 CA TYR A 9 -15.438 16.480 -13.825 1.00 0.00 C ATOM 78 C TYR A 9 -16.067 15.302 -13.088 1.00 0.00 C ATOM 79 O TYR A 9 -15.383 14.401 -12.605 1.00 0.00 O ATOM 80 CB TYR A 9 -15.212 16.116 -15.294 1.00 0.00 C ATOM 81 CG TYR A 9 -14.845 17.298 -16.163 1.00 0.00 C ATOM 82 CD1 TYR A 9 -13.546 17.792 -16.182 1.00 0.00 C ATOM 83 CD2 TYR A 9 -15.795 17.921 -16.961 1.00 0.00 C ATOM 84 CE1 TYR A 9 -13.205 18.872 -16.974 1.00 0.00 C ATOM 85 CE2 TYR A 9 -15.463 19.001 -17.756 1.00 0.00 C ATOM 86 CZ TYR A 9 -14.167 19.473 -17.759 1.00 0.00 C ATOM 87 OH TYR A 9 -13.832 20.549 -18.548 1.00 0.00 O ATOM 0 H TYR A 9 -13.373 16.317 -13.494 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.122 17.327 -13.767 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.420 15.370 -15.357 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -16.117 15.654 -15.688 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.791 17.324 -15.568 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -16.811 17.555 -16.960 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -12.191 19.243 -16.978 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -16.214 19.473 -18.372 1.00 0.00 H new ATOM 0 HH TYR A 9 -14.624 20.854 -19.039 1.00 0.00 H new ATOM 97 N PRO A 10 -17.406 15.307 -13.002 1.00 0.00 N ATOM 98 CA PRO A 10 -18.159 14.247 -12.327 1.00 0.00 C ATOM 99 C PRO A 10 -18.116 12.929 -13.092 1.00 0.00 C ATOM 100 O PRO A 10 -18.174 12.912 -14.322 1.00 0.00 O ATOM 101 CB PRO A 10 -19.587 14.796 -12.287 1.00 0.00 C ATOM 102 CG PRO A 10 -19.659 15.748 -13.431 1.00 0.00 C ATOM 103 CD PRO A 10 -18.286 16.349 -13.556 1.00 0.00 C ATOM 0 HA PRO A 10 -17.748 14.018 -11.344 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -20.321 13.997 -12.390 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -19.792 15.297 -11.341 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -19.945 15.234 -14.349 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -20.408 16.519 -13.250 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -18.039 16.574 -14.593 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -18.204 17.282 -12.999 1.00 0.00 H new ATOM 111 N ASP A 11 -18.015 11.826 -12.357 1.00 0.00 N ATOM 112 CA ASP A 11 -17.967 10.502 -12.967 1.00 0.00 C ATOM 113 C ASP A 11 -18.830 9.514 -12.189 1.00 0.00 C ATOM 114 O ASP A 11 -19.333 9.828 -11.109 1.00 0.00 O ATOM 115 CB ASP A 11 -16.524 10.000 -13.027 1.00 0.00 C ATOM 116 CG ASP A 11 -15.696 10.739 -14.060 1.00 0.00 C ATOM 117 OD1 ASP A 11 -15.177 11.826 -13.734 1.00 0.00 O ATOM 118 OD2 ASP A 11 -15.569 10.232 -15.195 1.00 0.00 O ATOM 0 H ASP A 11 -17.965 11.823 -11.338 1.00 0.00 H new ATOM 0 HA ASP A 11 -18.360 10.580 -13.981 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.062 10.114 -12.046 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -16.522 8.935 -13.259 1.00 0.00 H new ATOM 123 N PHE A 12 -19.002 8.320 -12.746 1.00 0.00 N ATOM 124 CA PHE A 12 -19.806 7.286 -12.108 1.00 0.00 C ATOM 125 C PHE A 12 -19.064 5.953 -12.089 1.00 0.00 C ATOM 126 O PHE A 12 -18.762 5.385 -13.137 1.00 0.00 O ATOM 127 CB PHE A 12 -21.144 7.128 -12.834 1.00 0.00 C ATOM 128 CG PHE A 12 -21.013 6.529 -14.205 1.00 0.00 C ATOM 129 CD1 PHE A 12 -20.510 7.278 -15.257 1.00 0.00 C ATOM 130 CD2 PHE A 12 -21.394 5.219 -14.442 1.00 0.00 C ATOM 131 CE1 PHE A 12 -20.390 6.729 -16.520 1.00 0.00 C ATOM 132 CE2 PHE A 12 -21.275 4.664 -15.703 1.00 0.00 C ATOM 133 CZ PHE A 12 -20.772 5.421 -16.742 1.00 0.00 C ATOM 0 H PHE A 12 -18.594 8.045 -13.640 1.00 0.00 H new ATOM 0 HA PHE A 12 -19.994 7.592 -11.079 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -21.803 6.501 -12.233 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -21.621 8.104 -12.917 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -20.209 8.301 -15.088 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -21.789 4.623 -13.632 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -19.998 7.323 -17.332 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -21.575 3.641 -15.875 1.00 0.00 H new ATOM 0 HZ PHE A 12 -20.677 4.990 -17.728 1.00 0.00 H new ATOM 143 N ALA A 13 -18.776 5.460 -10.888 1.00 0.00 N ATOM 144 CA ALA A 13 -18.071 4.194 -10.732 1.00 0.00 C ATOM 145 C ALA A 13 -18.832 3.253 -9.803 1.00 0.00 C ATOM 146 O ALA A 13 -19.597 3.680 -8.938 1.00 0.00 O ATOM 147 CB ALA A 13 -16.665 4.434 -10.205 1.00 0.00 C ATOM 0 H ALA A 13 -19.020 5.918 -10.010 1.00 0.00 H new ATOM 0 HA ALA A 13 -18.004 3.721 -11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.150 3.480 -10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.116 5.063 -10.906 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.719 4.932 -9.237 1.00 0.00 H new ATOM 153 N PRO A 14 -18.620 1.941 -9.986 1.00 0.00 N ATOM 154 CA PRO A 14 -19.277 0.913 -9.176 1.00 0.00 C ATOM 155 C PRO A 14 -18.768 0.895 -7.738 1.00 0.00 C ATOM 156 O PRO A 14 -19.550 0.785 -6.795 1.00 0.00 O ATOM 157 CB PRO A 14 -18.911 -0.391 -9.889 1.00 0.00 C ATOM 158 CG PRO A 14 -17.639 -0.087 -10.602 1.00 0.00 C ATOM 159 CD PRO A 14 -17.722 1.361 -10.999 1.00 0.00 C ATOM 0 HA PRO A 14 -20.351 1.083 -9.096 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.782 -1.208 -9.179 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.693 -0.695 -10.585 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -16.778 -0.266 -9.958 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -17.520 -0.725 -11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.742 1.838 -10.987 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.122 1.479 -12.006 1.00 0.00 H new ATOM 167 N GLN A 15 -17.453 1.002 -7.581 1.00 0.00 N ATOM 168 CA GLN A 15 -16.839 0.997 -6.257 1.00 0.00 C ATOM 169 C GLN A 15 -15.771 2.082 -6.149 1.00 0.00 C ATOM 170 O GLN A 15 -14.716 1.993 -6.778 1.00 0.00 O ATOM 171 CB GLN A 15 -16.226 -0.372 -5.960 1.00 0.00 C ATOM 172 CG GLN A 15 -17.258 -1.463 -5.729 1.00 0.00 C ATOM 173 CD GLN A 15 -17.767 -1.492 -4.300 1.00 0.00 C ATOM 174 OE1 GLN A 15 -17.464 -0.602 -3.505 1.00 0.00 O ATOM 175 NE2 GLN A 15 -18.542 -2.517 -3.968 1.00 0.00 N ATOM 0 H GLN A 15 -16.792 1.093 -8.353 1.00 0.00 H new ATOM 0 HA GLN A 15 -17.617 1.204 -5.522 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.584 -0.661 -6.792 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.590 -0.293 -5.078 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -18.098 -1.313 -6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -16.820 -2.430 -5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.767 -3.232 -4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.913 -2.590 -3.021 1.00 0.00 H new ATOM 184 N LYS A 16 -16.051 3.104 -5.347 1.00 0.00 N ATOM 185 CA LYS A 16 -15.116 4.204 -5.155 1.00 0.00 C ATOM 186 C LYS A 16 -14.551 4.198 -3.737 1.00 0.00 C ATOM 187 O LYS A 16 -15.299 4.247 -2.761 1.00 0.00 O ATOM 188 CB LYS A 16 -15.804 5.542 -5.435 1.00 0.00 C ATOM 189 CG LYS A 16 -17.113 5.720 -4.684 1.00 0.00 C ATOM 190 CD LYS A 16 -18.292 5.199 -5.489 1.00 0.00 C ATOM 191 CE LYS A 16 -19.527 5.024 -4.618 1.00 0.00 C ATOM 192 NZ LYS A 16 -20.754 4.809 -5.434 1.00 0.00 N ATOM 0 H LYS A 16 -16.919 3.192 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.292 4.073 -5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.127 6.353 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.994 5.627 -6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -17.061 5.194 -3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -17.263 6.776 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -18.513 5.891 -6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -18.029 4.245 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.382 4.176 -3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -19.657 5.906 -3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -21.574 4.694 -4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.906 5.629 -6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.640 3.953 -6.014 1.00 0.00 H new ATOM 206 N PHE A 17 -13.228 4.137 -3.632 1.00 0.00 N ATOM 207 CA PHE A 17 -12.564 4.124 -2.334 1.00 0.00 C ATOM 208 C PHE A 17 -11.383 5.089 -2.317 1.00 0.00 C ATOM 209 O PHE A 17 -10.549 5.085 -3.224 1.00 0.00 O ATOM 210 CB PHE A 17 -12.087 2.710 -1.994 1.00 0.00 C ATOM 211 CG PHE A 17 -13.197 1.782 -1.594 1.00 0.00 C ATOM 212 CD1 PHE A 17 -13.640 1.737 -0.282 1.00 0.00 C ATOM 213 CD2 PHE A 17 -13.799 0.956 -2.528 1.00 0.00 C ATOM 214 CE1 PHE A 17 -14.661 0.884 0.091 1.00 0.00 C ATOM 215 CE2 PHE A 17 -14.822 0.100 -2.163 1.00 0.00 C ATOM 216 CZ PHE A 17 -15.254 0.065 -0.851 1.00 0.00 C ATOM 0 H PHE A 17 -12.594 4.096 -4.430 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.285 4.447 -1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.569 2.293 -2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.361 2.766 -1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.182 2.376 0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.465 0.981 -3.555 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -14.995 0.857 1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -15.282 -0.540 -2.902 1.00 0.00 H new ATOM 0 HZ PHE A 17 -16.054 -0.601 -0.562 1.00 0.00 H new ATOM 226 N LYS A 18 -11.318 5.917 -1.280 1.00 0.00 N ATOM 227 CA LYS A 18 -10.239 6.889 -1.143 1.00 0.00 C ATOM 228 C LYS A 18 -9.062 6.291 -0.378 1.00 0.00 C ATOM 229 O LYS A 18 -7.905 6.512 -0.732 1.00 0.00 O ATOM 230 CB LYS A 18 -10.744 8.144 -0.426 1.00 0.00 C ATOM 231 CG LYS A 18 -9.649 9.151 -0.122 1.00 0.00 C ATOM 232 CD LYS A 18 -10.220 10.443 0.439 1.00 0.00 C ATOM 233 CE LYS A 18 -9.158 11.253 1.166 1.00 0.00 C ATOM 234 NZ LYS A 18 -8.711 10.584 2.419 1.00 0.00 N ATOM 0 H LYS A 18 -12.000 5.935 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.899 7.161 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.506 8.623 -1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.226 7.851 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.947 8.722 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.087 9.365 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.641 11.038 -0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.036 10.214 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.302 11.402 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.554 12.241 1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.295 11.290 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.526 10.134 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.999 9.861 2.191 1.00 0.00 H new ATOM 248 N GLU A 19 -9.367 5.534 0.671 1.00 0.00 N ATOM 249 CA GLU A 19 -8.335 4.906 1.485 1.00 0.00 C ATOM 250 C GLU A 19 -8.828 3.584 2.066 1.00 0.00 C ATOM 251 O GLU A 19 -10.033 3.350 2.170 1.00 0.00 O ATOM 252 CB GLU A 19 -7.904 5.843 2.615 1.00 0.00 C ATOM 253 CG GLU A 19 -8.995 6.104 3.639 1.00 0.00 C ATOM 254 CD GLU A 19 -8.487 6.854 4.856 1.00 0.00 C ATOM 255 OE1 GLU A 19 -7.307 6.668 5.219 1.00 0.00 O ATOM 256 OE2 GLU A 19 -9.271 7.628 5.445 1.00 0.00 O ATOM 0 H GLU A 19 -10.321 5.341 0.977 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.477 4.703 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.038 5.415 3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.585 6.793 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.796 6.677 3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.425 5.154 3.956 1.00 0.00 H new ATOM 263 N LYS A 20 -7.890 2.723 2.444 1.00 0.00 N ATOM 264 CA LYS A 20 -8.227 1.424 3.014 1.00 0.00 C ATOM 265 C LYS A 20 -8.959 1.589 4.342 1.00 0.00 C ATOM 266 O LYS A 20 -8.918 2.653 4.961 1.00 0.00 O ATOM 267 CB LYS A 20 -6.961 0.590 3.219 1.00 0.00 C ATOM 268 CG LYS A 20 -6.227 0.273 1.927 1.00 0.00 C ATOM 269 CD LYS A 20 -5.059 1.218 1.703 1.00 0.00 C ATOM 270 CE LYS A 20 -4.815 1.460 0.222 1.00 0.00 C ATOM 271 NZ LYS A 20 -5.972 2.135 -0.428 1.00 0.00 N ATOM 0 H LYS A 20 -6.889 2.902 2.366 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.886 0.907 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.287 1.125 3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.227 -0.344 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.864 -0.755 1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.919 0.343 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.257 2.168 2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.160 0.802 2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.921 2.071 0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.624 0.509 -0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.642 2.666 -1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.667 1.421 -0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.416 2.790 0.247 1.00 0.00 H new ATOM 285 N THR A 21 -9.633 0.527 4.778 1.00 0.00 N ATOM 286 CA THR A 21 -10.374 0.553 6.031 1.00 0.00 C ATOM 287 C THR A 21 -9.434 0.680 7.224 1.00 0.00 C ATOM 288 O THR A 21 -8.237 0.418 7.111 1.00 0.00 O ATOM 289 CB THR A 21 -11.234 -0.715 6.203 1.00 0.00 C ATOM 290 OG1 THR A 21 -12.045 -0.601 7.376 1.00 0.00 O ATOM 291 CG2 THR A 21 -10.356 -1.953 6.304 1.00 0.00 C ATOM 0 H THR A 21 -9.680 -0.362 4.280 1.00 0.00 H new ATOM 0 HA THR A 21 -11.028 1.424 5.992 1.00 0.00 H new ATOM 0 HB THR A 21 -11.876 -0.815 5.328 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.589 -1.410 7.477 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.984 -2.836 6.425 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.761 -2.052 5.396 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.693 -1.859 7.164 1.00 0.00 H new ATOM 299 N GLN A 22 -9.984 1.083 8.365 1.00 0.00 N ATOM 300 CA GLN A 22 -9.192 1.246 9.578 1.00 0.00 C ATOM 301 C GLN A 22 -8.306 0.028 9.817 1.00 0.00 C ATOM 302 O GLN A 22 -7.091 0.151 9.969 1.00 0.00 O ATOM 303 CB GLN A 22 -10.107 1.470 10.783 1.00 0.00 C ATOM 304 CG GLN A 22 -10.623 2.896 10.900 1.00 0.00 C ATOM 305 CD GLN A 22 -10.969 3.277 12.325 1.00 0.00 C ATOM 306 OE1 GLN A 22 -10.616 2.573 13.272 1.00 0.00 O ATOM 307 NE2 GLN A 22 -11.664 4.397 12.486 1.00 0.00 N ATOM 0 H GLN A 22 -10.974 1.302 8.475 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.552 2.119 9.450 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.956 0.790 10.715 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.565 1.213 11.693 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.869 3.584 10.517 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.507 3.011 10.273 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.936 4.950 11.673 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.926 4.704 13.423 1.00 0.00 H new ATOM 316 N GLY A 23 -8.923 -1.149 9.849 1.00 0.00 N ATOM 317 CA GLY A 23 -8.175 -2.373 10.071 1.00 0.00 C ATOM 318 C GLY A 23 -6.938 -2.463 9.199 1.00 0.00 C ATOM 319 O GLY A 23 -5.816 -2.459 9.702 1.00 0.00 O ATOM 0 H GLY A 23 -9.927 -1.277 9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.882 -2.431 11.119 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.819 -3.230 9.872 1.00 0.00 H new ATOM 323 N GLN A 24 -7.145 -2.545 7.889 1.00 0.00 N ATOM 324 CA GLN A 24 -6.036 -2.639 6.946 1.00 0.00 C ATOM 325 C GLN A 24 -4.964 -1.602 7.262 1.00 0.00 C ATOM 326 O GLN A 24 -3.791 -1.937 7.426 1.00 0.00 O ATOM 327 CB GLN A 24 -6.540 -2.448 5.514 1.00 0.00 C ATOM 328 CG GLN A 24 -7.535 -3.509 5.072 1.00 0.00 C ATOM 329 CD GLN A 24 -8.144 -3.211 3.717 1.00 0.00 C ATOM 330 OE1 GLN A 24 -9.347 -2.974 3.603 1.00 0.00 O ATOM 331 NE2 GLN A 24 -7.316 -3.220 2.680 1.00 0.00 N ATOM 0 H GLN A 24 -8.069 -2.548 7.456 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.595 -3.631 7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.007 -1.467 5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.688 -2.455 4.834 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.036 -4.477 5.036 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.330 -3.587 5.814 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.326 -3.421 2.820 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.670 -3.025 1.743 1.00 0.00 H new ATOM 340 N VAL A 25 -5.374 -0.340 7.347 1.00 0.00 N ATOM 341 CA VAL A 25 -4.447 0.746 7.643 1.00 0.00 C ATOM 342 C VAL A 25 -3.656 0.460 8.916 1.00 0.00 C ATOM 343 O VAL A 25 -2.443 0.667 8.964 1.00 0.00 O ATOM 344 CB VAL A 25 -5.188 2.087 7.804 1.00 0.00 C ATOM 345 CG1 VAL A 25 -4.212 3.198 8.157 1.00 0.00 C ATOM 346 CG2 VAL A 25 -5.956 2.426 6.535 1.00 0.00 C ATOM 0 H VAL A 25 -6.341 -0.045 7.215 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.761 0.817 6.799 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.903 1.991 8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.754 4.137 8.267 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.710 2.957 9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.471 3.297 7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.474 3.376 6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.261 2.504 5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.684 1.641 6.330 1.00 0.00 H new ATOM 356 N LYS A 26 -4.351 -0.015 9.944 1.00 0.00 N ATOM 357 CA LYS A 26 -3.714 -0.330 11.216 1.00 0.00 C ATOM 358 C LYS A 26 -2.611 -1.368 11.030 1.00 0.00 C ATOM 359 O LYS A 26 -1.541 -1.265 11.632 1.00 0.00 O ATOM 360 CB LYS A 26 -4.752 -0.848 12.215 1.00 0.00 C ATOM 361 CG LYS A 26 -4.394 -0.570 13.665 1.00 0.00 C ATOM 362 CD LYS A 26 -4.791 0.837 14.076 1.00 0.00 C ATOM 363 CE LYS A 26 -3.995 1.311 15.284 1.00 0.00 C ATOM 364 NZ LYS A 26 -4.743 2.325 16.076 1.00 0.00 N ATOM 0 H LYS A 26 -5.356 -0.190 9.921 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.267 0.584 11.606 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.716 -0.391 11.994 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.870 -1.923 12.079 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.894 -1.293 14.309 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.322 -0.703 13.808 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.630 1.520 13.242 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.856 0.863 14.308 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.756 0.458 15.919 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.048 1.736 14.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.168 2.623 16.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.949 3.150 15.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.635 1.912 16.415 1.00 0.00 H new ATOM 378 N ILE A 27 -2.877 -2.365 10.193 1.00 0.00 N ATOM 379 CA ILE A 27 -1.906 -3.418 9.926 1.00 0.00 C ATOM 380 C ILE A 27 -0.666 -2.861 9.236 1.00 0.00 C ATOM 381 O ILE A 27 0.454 -3.301 9.497 1.00 0.00 O ATOM 382 CB ILE A 27 -2.509 -4.533 9.051 1.00 0.00 C ATOM 383 CG1 ILE A 27 -3.754 -5.118 9.720 1.00 0.00 C ATOM 384 CG2 ILE A 27 -1.478 -5.621 8.793 1.00 0.00 C ATOM 385 CD1 ILE A 27 -4.658 -5.865 8.766 1.00 0.00 C ATOM 0 H ILE A 27 -3.757 -2.465 9.688 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.624 -3.838 10.892 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.802 -4.104 8.093 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.444 -5.793 10.518 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.319 -4.311 10.186 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.920 -6.401 8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.618 -5.193 8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.156 -6.050 9.742 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.520 -6.252 9.309 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.997 -5.189 7.981 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.109 -6.694 8.318 1.00 0.00 H new ATOM 397 N LEU A 28 -0.873 -1.889 8.356 1.00 0.00 N ATOM 398 CA LEU A 28 0.229 -1.268 7.628 1.00 0.00 C ATOM 399 C LEU A 28 0.973 -0.273 8.511 1.00 0.00 C ATOM 400 O LEU A 28 2.161 -0.443 8.788 1.00 0.00 O ATOM 401 CB LEU A 28 -0.295 -0.561 6.375 1.00 0.00 C ATOM 402 CG LEU A 28 -1.055 -1.437 5.380 1.00 0.00 C ATOM 403 CD1 LEU A 28 -1.619 -0.592 4.247 1.00 0.00 C ATOM 404 CD2 LEU A 28 -0.152 -2.532 4.833 1.00 0.00 C ATOM 0 H LEU A 28 -1.793 -1.513 8.129 1.00 0.00 H new ATOM 0 HA LEU A 28 0.924 -2.054 7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.951 0.252 6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.550 -0.107 5.858 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.887 -1.909 5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.157 -1.233 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.301 0.154 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.803 -0.091 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.711 -3.145 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.701 -2.081 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.202 -3.156 5.654 1.00 0.00 H new ATOM 416 N GLU A 29 0.268 0.762 8.955 1.00 0.00 N ATOM 417 CA GLU A 29 0.862 1.783 9.809 1.00 0.00 C ATOM 418 C GLU A 29 1.763 1.150 10.867 1.00 0.00 C ATOM 419 O GLU A 29 2.914 1.553 11.040 1.00 0.00 O ATOM 420 CB GLU A 29 -0.229 2.614 10.485 1.00 0.00 C ATOM 421 CG GLU A 29 -0.646 3.837 9.685 1.00 0.00 C ATOM 422 CD GLU A 29 -1.589 4.743 10.453 1.00 0.00 C ATOM 423 OE1 GLU A 29 -2.292 4.241 11.356 1.00 0.00 O ATOM 424 OE2 GLU A 29 -1.625 5.954 10.152 1.00 0.00 O ATOM 0 H GLU A 29 -0.717 0.916 8.737 1.00 0.00 H new ATOM 0 HA GLU A 29 1.469 2.436 9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.103 1.984 10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.125 2.934 11.465 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.242 4.401 9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.128 3.516 8.762 1.00 0.00 H new ATOM 431 N ASP A 30 1.231 0.157 11.571 1.00 0.00 N ATOM 432 CA ASP A 30 1.985 -0.533 12.610 1.00 0.00 C ATOM 433 C ASP A 30 3.362 -0.944 12.100 1.00 0.00 C ATOM 434 O ASP A 30 4.359 -0.836 12.817 1.00 0.00 O ATOM 435 CB ASP A 30 1.218 -1.764 13.094 1.00 0.00 C ATOM 436 CG ASP A 30 1.744 -2.291 14.415 1.00 0.00 C ATOM 437 OD1 ASP A 30 1.869 -1.491 15.365 1.00 0.00 O ATOM 438 OD2 ASP A 30 2.030 -3.505 14.499 1.00 0.00 O ATOM 0 H ASP A 30 0.280 -0.188 11.441 1.00 0.00 H new ATOM 0 HA ASP A 30 2.118 0.154 13.446 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.163 -1.512 13.201 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.284 -2.549 12.341 1.00 0.00 H new ATOM 443 N SER A 31 3.411 -1.417 10.859 1.00 0.00 N ATOM 444 CA SER A 31 4.666 -1.850 10.255 1.00 0.00 C ATOM 445 C SER A 31 5.525 -0.650 9.866 1.00 0.00 C ATOM 446 O SER A 31 6.646 -0.491 10.348 1.00 0.00 O ATOM 447 CB SER A 31 4.392 -2.716 9.024 1.00 0.00 C ATOM 448 OG SER A 31 4.297 -4.085 9.375 1.00 0.00 O ATOM 0 H SER A 31 2.597 -1.510 10.252 1.00 0.00 H new ATOM 0 HA SER A 31 5.210 -2.440 10.992 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.466 -2.394 8.548 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.190 -2.579 8.294 1.00 0.00 H new ATOM 0 HG SER A 31 3.353 -4.342 9.436 1.00 0.00 H new ATOM 454 N PHE A 32 4.988 0.195 8.990 1.00 0.00 N ATOM 455 CA PHE A 32 5.703 1.380 8.534 1.00 0.00 C ATOM 456 C PHE A 32 6.253 2.173 9.718 1.00 0.00 C ATOM 457 O PHE A 32 7.461 2.382 9.832 1.00 0.00 O ATOM 458 CB PHE A 32 4.781 2.268 7.697 1.00 0.00 C ATOM 459 CG PHE A 32 5.498 3.387 6.997 1.00 0.00 C ATOM 460 CD1 PHE A 32 5.988 4.467 7.712 1.00 0.00 C ATOM 461 CD2 PHE A 32 5.683 3.359 5.624 1.00 0.00 C ATOM 462 CE1 PHE A 32 6.648 5.499 7.072 1.00 0.00 C ATOM 463 CE2 PHE A 32 6.342 4.387 4.978 1.00 0.00 C ATOM 464 CZ PHE A 32 6.827 5.458 5.703 1.00 0.00 C ATOM 0 H PHE A 32 4.060 0.080 8.583 1.00 0.00 H new ATOM 0 HA PHE A 32 6.540 1.053 7.917 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.273 1.652 6.955 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.011 2.689 8.343 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.853 4.503 8.783 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.307 2.523 5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.023 6.336 7.642 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.478 4.353 3.907 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.345 6.262 5.201 1.00 0.00 H new ATOM 474 N LEU A 33 5.355 2.611 10.595 1.00 0.00 N ATOM 475 CA LEU A 33 5.749 3.381 11.770 1.00 0.00 C ATOM 476 C LEU A 33 7.068 2.869 12.340 1.00 0.00 C ATOM 477 O LEU A 33 7.932 3.652 12.735 1.00 0.00 O ATOM 478 CB LEU A 33 4.657 3.310 12.839 1.00 0.00 C ATOM 479 CG LEU A 33 3.432 4.196 12.606 1.00 0.00 C ATOM 480 CD1 LEU A 33 2.260 3.717 13.448 1.00 0.00 C ATOM 481 CD2 LEU A 33 3.757 5.650 12.918 1.00 0.00 C ATOM 0 H LEU A 33 4.352 2.446 10.515 1.00 0.00 H new ATOM 0 HA LEU A 33 5.885 4.419 11.465 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.323 2.276 12.920 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.098 3.579 13.799 1.00 0.00 H new ATOM 0 HG LEU A 33 3.151 4.126 11.555 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.397 4.359 13.269 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.012 2.691 13.176 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.530 3.757 14.503 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.874 6.265 12.746 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.064 5.739 13.960 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.566 5.989 12.271 1.00 0.00 H new ATOM 493 N LYS A 34 7.219 1.549 12.377 1.00 0.00 N ATOM 494 CA LYS A 34 8.433 0.932 12.895 1.00 0.00 C ATOM 495 C LYS A 34 9.542 0.948 11.847 1.00 0.00 C ATOM 496 O LYS A 34 10.613 1.509 12.073 1.00 0.00 O ATOM 497 CB LYS A 34 8.152 -0.508 13.333 1.00 0.00 C ATOM 498 CG LYS A 34 7.404 -0.608 14.652 1.00 0.00 C ATOM 499 CD LYS A 34 6.631 -1.911 14.756 1.00 0.00 C ATOM 500 CE LYS A 34 5.804 -1.968 16.030 1.00 0.00 C ATOM 501 NZ LYS A 34 6.660 -2.026 17.246 1.00 0.00 N ATOM 0 H LYS A 34 6.514 0.886 12.054 1.00 0.00 H new ATOM 0 HA LYS A 34 8.764 1.510 13.758 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.572 -1.008 12.557 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.097 -1.044 13.420 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.111 -0.536 15.479 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.717 0.233 14.746 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.976 -2.017 13.891 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.326 -2.750 14.734 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.158 -1.092 16.083 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.154 -2.842 16.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.063 -2.183 18.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.341 -2.807 17.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.175 -1.129 17.351 1.00 0.00 H new ATOM 515 N SER A 35 9.274 0.332 10.700 1.00 0.00 N ATOM 516 CA SER A 35 10.251 0.273 9.618 1.00 0.00 C ATOM 517 C SER A 35 9.606 0.641 8.286 1.00 0.00 C ATOM 518 O SER A 35 8.846 -0.142 7.715 1.00 0.00 O ATOM 519 CB SER A 35 10.866 -1.124 9.534 1.00 0.00 C ATOM 520 OG SER A 35 12.180 -1.072 9.007 1.00 0.00 O ATOM 0 H SER A 35 8.389 -0.133 10.496 1.00 0.00 H new ATOM 0 HA SER A 35 11.039 0.995 9.831 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.886 -1.576 10.526 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.244 -1.761 8.906 1.00 0.00 H new ATOM 0 HG SER A 35 12.552 -1.978 8.965 1.00 0.00 H new ATOM 526 N SER A 36 9.916 1.836 7.795 1.00 0.00 N ATOM 527 CA SER A 36 9.364 2.311 6.531 1.00 0.00 C ATOM 528 C SER A 36 9.451 1.226 5.461 1.00 0.00 C ATOM 529 O SER A 36 8.481 0.961 4.751 1.00 0.00 O ATOM 530 CB SER A 36 10.107 3.565 6.064 1.00 0.00 C ATOM 531 OG SER A 36 11.488 3.303 5.886 1.00 0.00 O ATOM 0 H SER A 36 10.547 2.494 8.253 1.00 0.00 H new ATOM 0 HA SER A 36 8.314 2.559 6.690 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.677 3.918 5.127 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.976 4.362 6.795 1.00 0.00 H new ATOM 0 HG SER A 36 11.940 4.119 5.586 1.00 0.00 H new ATOM 537 N PHE A 37 10.619 0.605 5.351 1.00 0.00 N ATOM 538 CA PHE A 37 10.835 -0.450 4.367 1.00 0.00 C ATOM 539 C PHE A 37 10.772 -1.827 5.022 1.00 0.00 C ATOM 540 O PHE A 37 11.719 -2.275 5.671 1.00 0.00 O ATOM 541 CB PHE A 37 12.185 -0.262 3.673 1.00 0.00 C ATOM 542 CG PHE A 37 12.152 0.740 2.556 1.00 0.00 C ATOM 543 CD1 PHE A 37 12.198 2.099 2.826 1.00 0.00 C ATOM 544 CD2 PHE A 37 12.073 0.327 1.237 1.00 0.00 C ATOM 545 CE1 PHE A 37 12.166 3.024 1.801 1.00 0.00 C ATOM 546 CE2 PHE A 37 12.041 1.247 0.206 1.00 0.00 C ATOM 547 CZ PHE A 37 12.090 2.598 0.489 1.00 0.00 C ATOM 0 H PHE A 37 11.432 0.813 5.931 1.00 0.00 H new ATOM 0 HA PHE A 37 10.041 -0.386 3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 37 12.923 0.053 4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.518 -1.222 3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 37 12.260 2.438 3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.036 -0.728 1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 37 12.200 4.080 2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.978 0.910 -0.818 1.00 0.00 H new ATOM 0 HZ PHE A 37 12.069 3.320 -0.314 1.00 0.00 H new ATOM 557 N PRO A 38 9.634 -2.513 4.851 1.00 0.00 N ATOM 558 CA PRO A 38 9.421 -3.848 5.417 1.00 0.00 C ATOM 559 C PRO A 38 10.279 -4.910 4.738 1.00 0.00 C ATOM 560 O PRO A 38 11.131 -4.597 3.906 1.00 0.00 O ATOM 561 CB PRO A 38 7.936 -4.112 5.157 1.00 0.00 C ATOM 562 CG PRO A 38 7.604 -3.266 3.975 1.00 0.00 C ATOM 563 CD PRO A 38 8.465 -2.039 4.089 1.00 0.00 C ATOM 0 HA PRO A 38 9.697 -3.892 6.471 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.751 -5.167 4.954 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.328 -3.842 6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.805 -3.798 3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.547 -3.002 3.969 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.752 -1.657 3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.948 -1.232 4.607 1.00 0.00 H new ATOM 571 N THR A 39 10.047 -6.170 5.095 1.00 0.00 N ATOM 572 CA THR A 39 10.798 -7.278 4.520 1.00 0.00 C ATOM 573 C THR A 39 9.866 -8.311 3.898 1.00 0.00 C ATOM 574 O THR A 39 8.701 -8.415 4.280 1.00 0.00 O ATOM 575 CB THR A 39 11.678 -7.968 5.578 1.00 0.00 C ATOM 576 OG1 THR A 39 12.599 -8.863 4.942 1.00 0.00 O ATOM 577 CG2 THR A 39 10.825 -8.736 6.577 1.00 0.00 C ATOM 0 H THR A 39 9.344 -6.448 5.780 1.00 0.00 H new ATOM 0 HA THR A 39 11.438 -6.857 3.744 1.00 0.00 H new ATOM 0 HB THR A 39 12.232 -7.198 6.115 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.156 -9.297 5.622 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.470 -9.214 7.314 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.146 -8.048 7.081 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.247 -9.497 6.053 1.00 0.00 H new ATOM 585 N GLN A 40 10.387 -9.072 2.941 1.00 0.00 N ATOM 586 CA GLN A 40 9.598 -10.098 2.269 1.00 0.00 C ATOM 587 C GLN A 40 8.684 -10.818 3.256 1.00 0.00 C ATOM 588 O GLN A 40 7.522 -11.091 2.956 1.00 0.00 O ATOM 589 CB GLN A 40 10.519 -11.107 1.579 1.00 0.00 C ATOM 590 CG GLN A 40 11.250 -10.537 0.375 1.00 0.00 C ATOM 591 CD GLN A 40 10.309 -9.946 -0.655 1.00 0.00 C ATOM 592 OE1 GLN A 40 9.527 -10.661 -1.282 1.00 0.00 O ATOM 593 NE2 GLN A 40 10.377 -8.633 -0.835 1.00 0.00 N ATOM 0 H GLN A 40 11.350 -8.998 2.614 1.00 0.00 H new ATOM 0 HA GLN A 40 8.977 -9.609 1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.251 -11.470 2.300 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.929 -11.967 1.262 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.946 -9.768 0.709 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.844 -11.324 -0.090 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.040 -8.078 -0.294 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.766 -8.179 -1.514 1.00 0.00 H new ATOM 602 N ALA A 41 9.217 -11.122 4.434 1.00 0.00 N ATOM 603 CA ALA A 41 8.449 -11.808 5.466 1.00 0.00 C ATOM 604 C ALA A 41 7.242 -10.979 5.893 1.00 0.00 C ATOM 605 O ALA A 41 6.104 -11.440 5.816 1.00 0.00 O ATOM 606 CB ALA A 41 9.333 -12.114 6.665 1.00 0.00 C ATOM 0 H ALA A 41 10.178 -10.904 4.698 1.00 0.00 H new ATOM 0 HA ALA A 41 8.083 -12.747 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.747 -12.626 7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.160 -12.752 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.727 -11.183 7.074 1.00 0.00 H new ATOM 612 N GLU A 42 7.499 -9.756 6.344 1.00 0.00 N ATOM 613 CA GLU A 42 6.432 -8.865 6.784 1.00 0.00 C ATOM 614 C GLU A 42 5.430 -8.618 5.661 1.00 0.00 C ATOM 615 O GLU A 42 4.267 -9.014 5.751 1.00 0.00 O ATOM 616 CB GLU A 42 7.015 -7.534 7.265 1.00 0.00 C ATOM 617 CG GLU A 42 6.042 -6.704 8.087 1.00 0.00 C ATOM 618 CD GLU A 42 5.574 -7.423 9.338 1.00 0.00 C ATOM 619 OE1 GLU A 42 6.415 -8.069 9.999 1.00 0.00 O ATOM 620 OE2 GLU A 42 4.372 -7.339 9.657 1.00 0.00 O ATOM 0 H GLU A 42 8.436 -9.359 6.414 1.00 0.00 H new ATOM 0 HA GLU A 42 5.911 -9.346 7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.905 -7.732 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.334 -6.953 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.519 -5.765 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.178 -6.451 7.473 1.00 0.00 H new ATOM 627 N LEU A 43 5.889 -7.960 4.602 1.00 0.00 N ATOM 628 CA LEU A 43 5.033 -7.659 3.458 1.00 0.00 C ATOM 629 C LEU A 43 4.114 -8.834 3.143 1.00 0.00 C ATOM 630 O LEU A 43 2.893 -8.686 3.104 1.00 0.00 O ATOM 631 CB LEU A 43 5.886 -7.320 2.234 1.00 0.00 C ATOM 632 CG LEU A 43 6.297 -5.853 2.087 1.00 0.00 C ATOM 633 CD1 LEU A 43 7.398 -5.709 1.050 1.00 0.00 C ATOM 634 CD2 LEU A 43 5.094 -4.999 1.715 1.00 0.00 C ATOM 0 H LEU A 43 6.848 -7.625 4.511 1.00 0.00 H new ATOM 0 HA LEU A 43 4.416 -6.797 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.790 -7.928 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.336 -7.614 1.340 1.00 0.00 H new ATOM 0 HG LEU A 43 6.683 -5.504 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.677 -4.659 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.267 -6.290 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.041 -6.074 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.403 -3.959 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.679 -5.347 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.336 -5.078 2.495 1.00 0.00 H new ATOM 646 N ASP A 44 4.709 -10.000 2.918 1.00 0.00 N ATOM 647 CA ASP A 44 3.943 -11.202 2.607 1.00 0.00 C ATOM 648 C ASP A 44 2.708 -11.303 3.497 1.00 0.00 C ATOM 649 O ASP A 44 1.640 -11.725 3.050 1.00 0.00 O ATOM 650 CB ASP A 44 4.815 -12.447 2.779 1.00 0.00 C ATOM 651 CG ASP A 44 4.179 -13.686 2.180 1.00 0.00 C ATOM 652 OD1 ASP A 44 3.352 -14.319 2.867 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.510 -14.022 1.023 1.00 0.00 O ATOM 0 H ASP A 44 5.719 -10.139 2.945 1.00 0.00 H new ATOM 0 HA ASP A 44 3.617 -11.138 1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.784 -12.276 2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.000 -12.614 3.840 1.00 0.00 H new ATOM 658 N ARG A 45 2.859 -10.916 4.759 1.00 0.00 N ATOM 659 CA ARG A 45 1.758 -10.965 5.713 1.00 0.00 C ATOM 660 C ARG A 45 0.860 -9.740 5.570 1.00 0.00 C ATOM 661 O ARG A 45 -0.363 -9.838 5.676 1.00 0.00 O ATOM 662 CB ARG A 45 2.295 -11.053 7.143 1.00 0.00 C ATOM 663 CG ARG A 45 1.316 -11.674 8.124 1.00 0.00 C ATOM 664 CD ARG A 45 2.038 -12.390 9.254 1.00 0.00 C ATOM 665 NE ARG A 45 1.221 -12.470 10.462 1.00 0.00 N ATOM 666 CZ ARG A 45 1.418 -13.362 11.426 1.00 0.00 C ATOM 667 NH1 ARG A 45 2.401 -14.246 11.324 1.00 0.00 N ATOM 668 NH2 ARG A 45 0.633 -13.371 12.496 1.00 0.00 N ATOM 0 H ARG A 45 3.735 -10.564 5.145 1.00 0.00 H new ATOM 0 HA ARG A 45 1.166 -11.855 5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.215 -11.638 7.141 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.555 -10.052 7.487 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.671 -10.898 8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.671 -12.378 7.599 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.308 -13.396 8.932 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.968 -11.867 9.479 1.00 0.00 H new ATOM 0 HE ARG A 45 0.457 -11.804 10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.008 -14.242 10.504 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.551 -14.930 12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.124 -12.692 12.579 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.786 -14.057 13.235 1.00 0.00 H new ATOM 682 N LEU A 46 1.476 -8.587 5.330 1.00 0.00 N ATOM 683 CA LEU A 46 0.733 -7.340 5.172 1.00 0.00 C ATOM 684 C LEU A 46 -0.265 -7.443 4.024 1.00 0.00 C ATOM 685 O LEU A 46 -1.428 -7.063 4.163 1.00 0.00 O ATOM 686 CB LEU A 46 1.695 -6.177 4.927 1.00 0.00 C ATOM 687 CG LEU A 46 2.883 -6.075 5.884 1.00 0.00 C ATOM 688 CD1 LEU A 46 3.734 -4.859 5.550 1.00 0.00 C ATOM 689 CD2 LEU A 46 2.402 -6.013 7.326 1.00 0.00 C ATOM 0 H LEU A 46 2.487 -8.489 5.241 1.00 0.00 H new ATOM 0 HA LEU A 46 0.180 -7.156 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.079 -6.258 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.130 -5.247 4.981 1.00 0.00 H new ATOM 0 HG LEU A 46 3.499 -6.967 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.575 -4.802 6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.108 -4.946 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.130 -3.956 5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.261 -5.941 7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.764 -5.139 7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.836 -6.915 7.560 1.00 0.00 H new ATOM 701 N ARG A 47 0.196 -7.960 2.891 1.00 0.00 N ATOM 702 CA ARG A 47 -0.655 -8.113 1.718 1.00 0.00 C ATOM 703 C ARG A 47 -1.877 -8.968 2.041 1.00 0.00 C ATOM 704 O ARG A 47 -3.012 -8.488 2.004 1.00 0.00 O ATOM 705 CB ARG A 47 0.131 -8.745 0.567 1.00 0.00 C ATOM 706 CG ARG A 47 1.110 -7.790 -0.097 1.00 0.00 C ATOM 707 CD ARG A 47 2.047 -8.524 -1.044 1.00 0.00 C ATOM 708 NE ARG A 47 1.320 -9.236 -2.091 1.00 0.00 N ATOM 709 CZ ARG A 47 0.928 -10.501 -1.983 1.00 0.00 C ATOM 710 NH1 ARG A 47 1.192 -11.189 -0.882 1.00 0.00 N ATOM 711 NH2 ARG A 47 0.271 -11.081 -2.980 1.00 0.00 N ATOM 0 H ARG A 47 1.155 -8.280 2.760 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.994 -7.122 1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.678 -9.610 0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.570 -9.113 -0.182 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.559 -7.027 -0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.693 -7.275 0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.733 -7.810 -1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.653 -9.232 -0.478 1.00 0.00 H new ATOM 0 HE ARG A 47 1.101 -8.735 -2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.698 -10.748 -0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.890 -12.160 -0.802 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.067 -10.556 -3.830 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.029 -12.052 -2.896 1.00 0.00 H new ATOM 725 N VAL A 48 -1.639 -10.236 2.358 1.00 0.00 N ATOM 726 CA VAL A 48 -2.720 -11.159 2.688 1.00 0.00 C ATOM 727 C VAL A 48 -3.592 -10.603 3.810 1.00 0.00 C ATOM 728 O VAL A 48 -4.819 -10.652 3.737 1.00 0.00 O ATOM 729 CB VAL A 48 -2.174 -12.535 3.111 1.00 0.00 C ATOM 730 CG1 VAL A 48 -1.042 -12.375 4.116 1.00 0.00 C ATOM 731 CG2 VAL A 48 -3.289 -13.397 3.683 1.00 0.00 C ATOM 0 H VAL A 48 -0.707 -10.649 2.394 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.322 -11.278 1.787 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.775 -13.036 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.669 -13.358 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.235 -11.798 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.411 -11.854 5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.885 -14.366 3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.720 -12.904 4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.062 -13.540 2.928 1.00 0.00 H new ATOM 741 N GLU A 49 -2.948 -10.075 4.846 1.00 0.00 N ATOM 742 CA GLU A 49 -3.666 -9.511 5.983 1.00 0.00 C ATOM 743 C GLU A 49 -4.605 -8.395 5.534 1.00 0.00 C ATOM 744 O GLU A 49 -5.825 -8.504 5.669 1.00 0.00 O ATOM 745 CB GLU A 49 -2.679 -8.974 7.021 1.00 0.00 C ATOM 746 CG GLU A 49 -2.022 -10.060 7.856 1.00 0.00 C ATOM 747 CD GLU A 49 -2.900 -10.529 9.001 1.00 0.00 C ATOM 748 OE1 GLU A 49 -3.365 -9.672 9.780 1.00 0.00 O ATOM 749 OE2 GLU A 49 -3.121 -11.753 9.116 1.00 0.00 O ATOM 0 H GLU A 49 -1.932 -10.026 4.921 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.262 -10.305 6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.904 -8.401 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.201 -8.284 7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.782 -10.909 7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.080 -9.685 8.256 1.00 0.00 H new ATOM 756 N THR A 50 -4.030 -7.323 5.001 1.00 0.00 N ATOM 757 CA THR A 50 -4.813 -6.186 4.534 1.00 0.00 C ATOM 758 C THR A 50 -5.568 -6.529 3.253 1.00 0.00 C ATOM 759 O THR A 50 -6.358 -5.728 2.754 1.00 0.00 O ATOM 760 CB THR A 50 -3.923 -4.956 4.279 1.00 0.00 C ATOM 761 OG1 THR A 50 -2.974 -5.244 3.247 1.00 0.00 O ATOM 762 CG2 THR A 50 -3.192 -4.545 5.548 1.00 0.00 C ATOM 0 H THR A 50 -3.022 -7.218 4.882 1.00 0.00 H new ATOM 0 HA THR A 50 -5.528 -5.949 5.322 1.00 0.00 H new ATOM 0 HB THR A 50 -4.562 -4.131 3.964 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.202 -5.708 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.569 -3.674 5.343 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.918 -4.298 6.322 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.564 -5.368 5.889 1.00 0.00 H new ATOM 770 N LYS A 51 -5.319 -7.723 2.726 1.00 0.00 N ATOM 771 CA LYS A 51 -5.976 -8.173 1.506 1.00 0.00 C ATOM 772 C LYS A 51 -5.610 -7.272 0.329 1.00 0.00 C ATOM 773 O LYS A 51 -6.473 -6.889 -0.463 1.00 0.00 O ATOM 774 CB LYS A 51 -7.494 -8.190 1.696 1.00 0.00 C ATOM 775 CG LYS A 51 -7.959 -9.137 2.787 1.00 0.00 C ATOM 776 CD LYS A 51 -7.999 -10.576 2.301 1.00 0.00 C ATOM 777 CE LYS A 51 -8.423 -11.528 3.407 1.00 0.00 C ATOM 778 NZ LYS A 51 -7.452 -11.535 4.536 1.00 0.00 N ATOM 0 H LYS A 51 -4.666 -8.397 3.126 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.633 -9.184 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.833 -7.182 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.966 -8.473 0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.291 -9.061 3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.951 -8.840 3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.692 -10.659 1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.015 -10.863 1.930 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.407 -11.240 3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.517 -12.536 3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.354 -12.503 4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.528 -11.196 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.796 -10.911 5.293 1.00 0.00 H new ATOM 792 N LEU A 52 -4.330 -6.940 0.219 1.00 0.00 N ATOM 793 CA LEU A 52 -3.849 -6.087 -0.862 1.00 0.00 C ATOM 794 C LEU A 52 -2.702 -6.753 -1.613 1.00 0.00 C ATOM 795 O LEU A 52 -2.094 -7.706 -1.122 1.00 0.00 O ATOM 796 CB LEU A 52 -3.397 -4.735 -0.309 1.00 0.00 C ATOM 797 CG LEU A 52 -4.436 -3.960 0.503 1.00 0.00 C ATOM 798 CD1 LEU A 52 -3.767 -2.865 1.320 1.00 0.00 C ATOM 799 CD2 LEU A 52 -5.498 -3.371 -0.413 1.00 0.00 C ATOM 0 H LEU A 52 -3.604 -7.249 0.866 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.671 -5.930 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.521 -4.897 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.079 -4.111 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.922 -4.653 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.522 -2.324 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.045 -3.311 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.254 -2.174 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.229 -2.823 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.028 -2.693 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.999 -4.174 -0.953 1.00 0.00 H new ATOM 811 N SER A 53 -2.405 -6.244 -2.805 1.00 0.00 N ATOM 812 CA SER A 53 -1.330 -6.791 -3.624 1.00 0.00 C ATOM 813 C SER A 53 -0.036 -6.010 -3.413 1.00 0.00 C ATOM 814 O SER A 53 -0.041 -4.923 -2.832 1.00 0.00 O ATOM 815 CB SER A 53 -1.721 -6.760 -5.102 1.00 0.00 C ATOM 816 OG SER A 53 -2.512 -7.885 -5.444 1.00 0.00 O ATOM 0 H SER A 53 -2.894 -5.453 -3.225 1.00 0.00 H new ATOM 0 HA SER A 53 -1.165 -7.825 -3.320 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.273 -5.845 -5.316 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.822 -6.742 -5.719 1.00 0.00 H new ATOM 0 HG SER A 53 -2.750 -7.841 -6.394 1.00 0.00 H new ATOM 822 N ARG A 54 1.071 -6.571 -3.888 1.00 0.00 N ATOM 823 CA ARG A 54 2.372 -5.930 -3.750 1.00 0.00 C ATOM 824 C ARG A 54 2.303 -4.465 -4.168 1.00 0.00 C ATOM 825 O ARG A 54 2.831 -3.588 -3.484 1.00 0.00 O ATOM 826 CB ARG A 54 3.418 -6.664 -4.592 1.00 0.00 C ATOM 827 CG ARG A 54 4.056 -7.844 -3.880 1.00 0.00 C ATOM 828 CD ARG A 54 5.129 -7.392 -2.903 1.00 0.00 C ATOM 829 NE ARG A 54 5.313 -8.342 -1.810 1.00 0.00 N ATOM 830 CZ ARG A 54 5.802 -9.566 -1.974 1.00 0.00 C ATOM 831 NH1 ARG A 54 6.157 -9.986 -3.180 1.00 0.00 N ATOM 832 NH2 ARG A 54 5.938 -10.373 -0.930 1.00 0.00 N ATOM 0 H ARG A 54 1.092 -7.469 -4.372 1.00 0.00 H new ATOM 0 HA ARG A 54 2.663 -5.977 -2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.950 -7.016 -5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.198 -5.960 -4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.290 -8.406 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.493 -8.520 -4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.072 -7.265 -3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.859 -6.418 -2.494 1.00 0.00 H new ATOM 0 HE ARG A 54 5.052 -8.050 -0.868 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.055 -9.369 -3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.532 -10.927 -3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.667 -10.054 0.000 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.314 -11.313 -1.057 1.00 0.00 H new ATOM 846 N ARG A 55 1.650 -4.208 -5.297 1.00 0.00 N ATOM 847 CA ARG A 55 1.514 -2.848 -5.808 1.00 0.00 C ATOM 848 C ARG A 55 0.585 -2.025 -4.922 1.00 0.00 C ATOM 849 O ARG A 55 0.888 -0.882 -4.582 1.00 0.00 O ATOM 850 CB ARG A 55 0.981 -2.871 -7.242 1.00 0.00 C ATOM 851 CG ARG A 55 -0.371 -3.550 -7.379 1.00 0.00 C ATOM 852 CD ARG A 55 -0.695 -3.861 -8.832 1.00 0.00 C ATOM 853 NE ARG A 55 -1.612 -4.990 -8.959 1.00 0.00 N ATOM 854 CZ ARG A 55 -1.852 -5.616 -10.106 1.00 0.00 C ATOM 855 NH1 ARG A 55 -1.246 -5.225 -11.217 1.00 0.00 N ATOM 856 NH2 ARG A 55 -2.700 -6.636 -10.141 1.00 0.00 N ATOM 0 H ARG A 55 1.207 -4.922 -5.875 1.00 0.00 H new ATOM 0 HA ARG A 55 2.500 -2.383 -5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.902 -1.847 -7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.701 -3.383 -7.880 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.376 -4.473 -6.799 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.146 -2.907 -6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.136 -2.981 -9.301 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.227 -4.081 -9.370 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.095 -5.316 -8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.593 -4.442 -11.193 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.432 -5.707 -12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.168 -6.940 -9.287 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.884 -7.116 -11.022 1.00 0.00 H new ATOM 870 N GLU A 56 -0.547 -2.615 -4.552 1.00 0.00 N ATOM 871 CA GLU A 56 -1.522 -1.934 -3.706 1.00 0.00 C ATOM 872 C GLU A 56 -0.832 -1.219 -2.549 1.00 0.00 C ATOM 873 O GLU A 56 -1.059 -0.030 -2.316 1.00 0.00 O ATOM 874 CB GLU A 56 -2.547 -2.934 -3.164 1.00 0.00 C ATOM 875 CG GLU A 56 -3.559 -3.389 -4.200 1.00 0.00 C ATOM 876 CD GLU A 56 -4.177 -2.233 -4.960 1.00 0.00 C ATOM 877 OE1 GLU A 56 -4.381 -1.162 -4.350 1.00 0.00 O ATOM 878 OE2 GLU A 56 -4.458 -2.397 -6.167 1.00 0.00 O ATOM 0 H GLU A 56 -0.812 -3.562 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.037 -1.191 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.021 -3.806 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.076 -2.481 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.073 -4.064 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.348 -3.957 -3.707 1.00 0.00 H new ATOM 885 N ILE A 57 0.012 -1.949 -1.828 1.00 0.00 N ATOM 886 CA ILE A 57 0.736 -1.385 -0.695 1.00 0.00 C ATOM 887 C ILE A 57 1.822 -0.422 -1.162 1.00 0.00 C ATOM 888 O ILE A 57 1.876 0.729 -0.725 1.00 0.00 O ATOM 889 CB ILE A 57 1.379 -2.486 0.168 1.00 0.00 C ATOM 890 CG1 ILE A 57 0.306 -3.436 0.705 1.00 0.00 C ATOM 891 CG2 ILE A 57 2.169 -1.868 1.313 1.00 0.00 C ATOM 892 CD1 ILE A 57 0.863 -4.740 1.230 1.00 0.00 C ATOM 0 H ILE A 57 0.212 -2.933 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 57 0.007 -0.843 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 57 2.066 -3.059 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.243 -2.937 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.410 -3.649 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.618 -2.659 1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.955 -1.229 0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.501 -1.273 1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.047 -5.364 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.388 -5.260 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.557 -4.537 2.046 1.00 0.00 H new ATOM 904 N ASP A 58 2.684 -0.897 -2.055 1.00 0.00 N ATOM 905 CA ASP A 58 3.766 -0.077 -2.584 1.00 0.00 C ATOM 906 C ASP A 58 3.324 1.375 -2.738 1.00 0.00 C ATOM 907 O ASP A 58 4.079 2.299 -2.440 1.00 0.00 O ATOM 908 CB ASP A 58 4.238 -0.627 -3.932 1.00 0.00 C ATOM 909 CG ASP A 58 5.610 -0.111 -4.318 1.00 0.00 C ATOM 910 OD1 ASP A 58 6.604 -0.545 -3.699 1.00 0.00 O ATOM 911 OD2 ASP A 58 5.691 0.729 -5.240 1.00 0.00 O ATOM 0 H ASP A 58 2.654 -1.846 -2.427 1.00 0.00 H new ATOM 0 HA ASP A 58 4.594 -0.111 -1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.261 -1.716 -3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.519 -0.354 -4.705 1.00 0.00 H new ATOM 916 N SER A 59 2.097 1.566 -3.209 1.00 0.00 N ATOM 917 CA SER A 59 1.554 2.905 -3.409 1.00 0.00 C ATOM 918 C SER A 59 1.444 3.650 -2.082 1.00 0.00 C ATOM 919 O SER A 59 1.940 4.767 -1.941 1.00 0.00 O ATOM 920 CB SER A 59 0.182 2.828 -4.080 1.00 0.00 C ATOM 921 OG SER A 59 0.307 2.757 -5.489 1.00 0.00 O ATOM 0 H SER A 59 1.459 0.811 -3.460 1.00 0.00 H new ATOM 0 HA SER A 59 2.236 3.454 -4.058 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.356 1.953 -3.715 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.409 3.702 -3.808 1.00 0.00 H new ATOM 0 HG SER A 59 -0.584 2.707 -5.894 1.00 0.00 H new ATOM 927 N TRP A 60 0.789 3.022 -1.112 1.00 0.00 N ATOM 928 CA TRP A 60 0.611 3.624 0.205 1.00 0.00 C ATOM 929 C TRP A 60 1.951 4.057 0.789 1.00 0.00 C ATOM 930 O TRP A 60 2.143 5.226 1.126 1.00 0.00 O ATOM 931 CB TRP A 60 -0.076 2.638 1.150 1.00 0.00 C ATOM 932 CG TRP A 60 -0.533 3.267 2.433 1.00 0.00 C ATOM 933 CD1 TRP A 60 -1.678 3.987 2.629 1.00 0.00 C ATOM 934 CD2 TRP A 60 0.143 3.231 3.694 1.00 0.00 C ATOM 935 NE1 TRP A 60 -1.752 4.401 3.937 1.00 0.00 N ATOM 936 CE2 TRP A 60 -0.648 3.950 4.611 1.00 0.00 C ATOM 937 CE3 TRP A 60 1.339 2.661 4.138 1.00 0.00 C ATOM 938 CZ2 TRP A 60 -0.280 4.114 5.944 1.00 0.00 C ATOM 939 CZ3 TRP A 60 1.703 2.824 5.461 1.00 0.00 C ATOM 940 CH2 TRP A 60 0.897 3.545 6.351 1.00 0.00 C ATOM 0 H TRP A 60 0.372 2.096 -1.212 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.018 4.507 0.093 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.935 2.198 0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 60 0.612 1.824 1.377 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -2.415 4.199 1.869 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.507 4.955 4.341 1.00 0.00 H new ATOM 0 HE3 TRP A 60 1.967 2.103 3.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.900 4.670 6.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.625 2.388 5.815 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.210 3.654 7.379 1.00 0.00 H new ATOM 951 N PHE A 61 2.876 3.111 0.907 1.00 0.00 N ATOM 952 CA PHE A 61 4.198 3.397 1.452 1.00 0.00 C ATOM 953 C PHE A 61 4.870 4.531 0.684 1.00 0.00 C ATOM 954 O PHE A 61 5.228 5.558 1.260 1.00 0.00 O ATOM 955 CB PHE A 61 5.075 2.142 1.402 1.00 0.00 C ATOM 956 CG PHE A 61 4.799 1.173 2.515 1.00 0.00 C ATOM 957 CD1 PHE A 61 3.559 0.564 2.630 1.00 0.00 C ATOM 958 CD2 PHE A 61 5.776 0.872 3.449 1.00 0.00 C ATOM 959 CE1 PHE A 61 3.301 -0.329 3.652 1.00 0.00 C ATOM 960 CE2 PHE A 61 5.525 -0.020 4.473 1.00 0.00 C ATOM 961 CZ PHE A 61 4.286 -0.621 4.576 1.00 0.00 C ATOM 0 H PHE A 61 2.735 2.139 0.632 1.00 0.00 H new ATOM 0 HA PHE A 61 4.077 3.707 2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.922 1.639 0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.123 2.439 1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.785 0.790 1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.746 1.341 3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.331 -0.798 3.729 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.297 -0.247 5.193 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.087 -1.318 5.377 1.00 0.00 H new ATOM 971 N SER A 62 5.036 4.337 -0.621 1.00 0.00 N ATOM 972 CA SER A 62 5.669 5.342 -1.468 1.00 0.00 C ATOM 973 C SER A 62 5.227 6.747 -1.068 1.00 0.00 C ATOM 974 O SER A 62 6.042 7.664 -0.986 1.00 0.00 O ATOM 975 CB SER A 62 5.327 5.088 -2.938 1.00 0.00 C ATOM 976 OG SER A 62 6.298 5.666 -3.793 1.00 0.00 O ATOM 0 H SER A 62 4.741 3.494 -1.114 1.00 0.00 H new ATOM 0 HA SER A 62 6.748 5.267 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.269 4.015 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.345 5.504 -3.164 1.00 0.00 H new ATOM 0 HG SER A 62 6.059 5.489 -4.727 1.00 0.00 H new ATOM 982 N GLU A 63 3.930 6.904 -0.817 1.00 0.00 N ATOM 983 CA GLU A 63 3.380 8.195 -0.426 1.00 0.00 C ATOM 984 C GLU A 63 3.739 8.525 1.021 1.00 0.00 C ATOM 985 O GLU A 63 4.138 9.647 1.333 1.00 0.00 O ATOM 986 CB GLU A 63 1.861 8.202 -0.598 1.00 0.00 C ATOM 987 CG GLU A 63 1.406 8.656 -1.977 1.00 0.00 C ATOM 988 CD GLU A 63 0.047 9.327 -1.951 1.00 0.00 C ATOM 989 OE1 GLU A 63 -0.972 8.604 -1.974 1.00 0.00 O ATOM 990 OE2 GLU A 63 0.002 10.574 -1.910 1.00 0.00 O ATOM 0 H GLU A 63 3.242 6.153 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 63 3.815 8.956 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.478 7.199 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.422 8.857 0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.141 9.348 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.369 7.795 -2.645 1.00 0.00 H new ATOM 997 N ARG A 64 3.596 7.538 1.899 1.00 0.00 N ATOM 998 CA ARG A 64 3.902 7.722 3.312 1.00 0.00 C ATOM 999 C ARG A 64 5.221 8.469 3.489 1.00 0.00 C ATOM 1000 O ARG A 64 5.256 9.560 4.057 1.00 0.00 O ATOM 1001 CB ARG A 64 3.972 6.369 4.021 1.00 0.00 C ATOM 1002 CG ARG A 64 3.660 6.442 5.507 1.00 0.00 C ATOM 1003 CD ARG A 64 2.219 6.857 5.755 1.00 0.00 C ATOM 1004 NE ARG A 64 1.865 6.790 7.170 1.00 0.00 N ATOM 1005 CZ ARG A 64 2.202 7.722 8.056 1.00 0.00 C ATOM 1006 NH1 ARG A 64 2.895 8.785 7.673 1.00 0.00 N ATOM 1007 NH2 ARG A 64 1.843 7.590 9.326 1.00 0.00 N ATOM 0 H ARG A 64 3.270 6.602 1.656 1.00 0.00 H new ATOM 0 HA ARG A 64 3.104 8.317 3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.272 5.682 3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.969 5.950 3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.844 5.471 5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.332 7.154 5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.067 7.873 5.391 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.552 6.211 5.184 1.00 0.00 H new ATOM 0 HE ARG A 64 1.330 5.985 7.496 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.171 8.889 6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.152 9.499 8.355 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.308 6.773 9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.101 8.305 10.006 1.00 0.00 H new ATOM 1021 N ARG A 65 6.304 7.874 2.999 1.00 0.00 N ATOM 1022 CA ARG A 65 7.624 8.481 3.106 1.00 0.00 C ATOM 1023 C ARG A 65 7.609 9.909 2.568 1.00 0.00 C ATOM 1024 O ARG A 65 8.209 10.811 3.154 1.00 0.00 O ATOM 1025 CB ARG A 65 8.656 7.648 2.342 1.00 0.00 C ATOM 1026 CG ARG A 65 9.059 6.371 3.060 1.00 0.00 C ATOM 1027 CD ARG A 65 10.078 5.578 2.256 1.00 0.00 C ATOM 1028 NE ARG A 65 9.454 4.842 1.160 1.00 0.00 N ATOM 1029 CZ ARG A 65 8.829 3.679 1.316 1.00 0.00 C ATOM 1030 NH1 ARG A 65 8.746 3.124 2.516 1.00 0.00 N ATOM 1031 NH2 ARG A 65 8.288 3.070 0.269 1.00 0.00 N ATOM 0 H ARG A 65 6.292 6.972 2.524 1.00 0.00 H new ATOM 0 HA ARG A 65 7.899 8.510 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.251 7.392 1.363 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.545 8.255 2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.476 6.617 4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.176 5.757 3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.831 6.256 1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.595 4.880 2.914 1.00 0.00 H new ATOM 0 HE ARG A 65 9.500 5.242 0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.162 3.589 3.323 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.266 2.232 2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.351 3.494 -0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.809 2.178 0.389 1.00 0.00 H new ATOM 1045 N LYS A 66 6.920 10.109 1.449 1.00 0.00 N ATOM 1046 CA LYS A 66 6.826 11.426 0.833 1.00 0.00 C ATOM 1047 C LYS A 66 6.184 12.429 1.786 1.00 0.00 C ATOM 1048 O LYS A 66 6.791 13.437 2.146 1.00 0.00 O ATOM 1049 CB LYS A 66 6.018 11.347 -0.464 1.00 0.00 C ATOM 1050 CG LYS A 66 6.804 10.793 -1.639 1.00 0.00 C ATOM 1051 CD LYS A 66 5.888 10.369 -2.775 1.00 0.00 C ATOM 1052 CE LYS A 66 5.482 11.556 -3.635 1.00 0.00 C ATOM 1053 NZ LYS A 66 4.273 11.262 -4.452 1.00 0.00 N ATOM 0 H LYS A 66 6.418 9.374 0.950 1.00 0.00 H new ATOM 0 HA LYS A 66 7.836 11.766 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.141 10.722 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.656 12.343 -0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.504 11.548 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.397 9.939 -1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.392 9.626 -3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.997 9.892 -2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.288 12.418 -2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.308 11.827 -4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.029 12.096 -5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.466 10.456 -5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.478 11.028 -3.824 1.00 0.00 H new ATOM 1067 N LEU A 67 4.951 12.144 2.192 1.00 0.00 N ATOM 1068 CA LEU A 67 4.226 13.020 3.105 1.00 0.00 C ATOM 1069 C LEU A 67 5.056 13.319 4.349 1.00 0.00 C ATOM 1070 O LEU A 67 5.065 14.444 4.846 1.00 0.00 O ATOM 1071 CB LEU A 67 2.896 12.380 3.508 1.00 0.00 C ATOM 1072 CG LEU A 67 2.889 11.624 4.837 1.00 0.00 C ATOM 1073 CD1 LEU A 67 2.776 12.594 6.003 1.00 0.00 C ATOM 1074 CD2 LEU A 67 1.754 10.611 4.869 1.00 0.00 C ATOM 0 H LEU A 67 4.433 11.314 1.903 1.00 0.00 H new ATOM 0 HA LEU A 67 4.030 13.959 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.139 13.163 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.594 11.691 2.719 1.00 0.00 H new ATOM 0 HG LEU A 67 3.832 11.085 4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.773 12.037 6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.624 13.278 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.850 13.162 5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.765 10.083 5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.802 11.128 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.882 9.896 4.056 1.00 0.00 H new ATOM 1086 N ARG A 68 5.755 12.303 4.845 1.00 0.00 N ATOM 1087 CA ARG A 68 6.590 12.457 6.030 1.00 0.00 C ATOM 1088 C ARG A 68 7.574 13.610 5.857 1.00 0.00 C ATOM 1089 O ARG A 68 7.646 14.511 6.693 1.00 0.00 O ATOM 1090 CB ARG A 68 7.352 11.162 6.316 1.00 0.00 C ATOM 1091 CG ARG A 68 7.631 10.931 7.791 1.00 0.00 C ATOM 1092 CD ARG A 68 7.713 9.448 8.118 1.00 0.00 C ATOM 1093 NE ARG A 68 9.075 8.934 7.995 1.00 0.00 N ATOM 1094 CZ ARG A 68 10.003 9.081 8.932 1.00 0.00 C ATOM 1095 NH1 ARG A 68 9.718 9.721 10.058 1.00 0.00 N ATOM 1096 NH2 ARG A 68 11.220 8.586 8.747 1.00 0.00 N ATOM 0 H ARG A 68 5.760 11.365 4.445 1.00 0.00 H new ATOM 0 HA ARG A 68 5.938 12.682 6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.779 10.320 5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.298 11.180 5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.567 11.417 8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.845 11.393 8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.353 9.280 9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.054 8.893 7.450 1.00 0.00 H new ATOM 0 HE ARG A 68 9.326 8.435 7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.783 10.102 10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.433 9.832 10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.444 8.091 7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.932 8.700 9.468 1.00 0.00 H new ATOM 1110 N ASP A 69 8.331 13.575 4.765 1.00 0.00 N ATOM 1111 CA ASP A 69 9.310 14.617 4.480 1.00 0.00 C ATOM 1112 C ASP A 69 8.622 15.953 4.216 1.00 0.00 C ATOM 1113 O ASP A 69 9.043 16.991 4.728 1.00 0.00 O ATOM 1114 CB ASP A 69 10.168 14.225 3.275 1.00 0.00 C ATOM 1115 CG ASP A 69 11.547 14.854 3.317 1.00 0.00 C ATOM 1116 OD1 ASP A 69 12.264 14.644 4.317 1.00 0.00 O ATOM 1117 OD2 ASP A 69 11.908 15.558 2.351 1.00 0.00 O ATOM 0 H ASP A 69 8.285 12.836 4.063 1.00 0.00 H new ATOM 0 HA ASP A 69 9.952 14.726 5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.268 13.140 3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.662 14.527 2.358 1.00 0.00 H new ATOM 1122 N SER A 70 7.563 15.919 3.416 1.00 0.00 N ATOM 1123 CA SER A 70 6.817 17.127 3.080 1.00 0.00 C ATOM 1124 C SER A 70 7.695 18.109 2.308 1.00 0.00 C ATOM 1125 O SER A 70 7.672 19.312 2.565 1.00 0.00 O ATOM 1126 CB SER A 70 6.285 17.793 4.351 1.00 0.00 C ATOM 1127 OG SER A 70 5.230 18.690 4.052 1.00 0.00 O ATOM 0 H SER A 70 7.201 15.067 2.987 1.00 0.00 H new ATOM 0 HA SER A 70 5.976 16.842 2.448 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.932 17.030 5.045 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.092 18.329 4.850 1.00 0.00 H new ATOM 0 HG SER A 70 5.538 19.350 3.397 1.00 0.00 H new ATOM 1133 N MET A 71 8.467 17.584 1.362 1.00 0.00 N ATOM 1134 CA MET A 71 9.351 18.414 0.552 1.00 0.00 C ATOM 1135 C MET A 71 8.562 19.174 -0.510 1.00 0.00 C ATOM 1136 O MET A 71 8.782 20.365 -0.723 1.00 0.00 O ATOM 1137 CB MET A 71 10.426 17.552 -0.114 1.00 0.00 C ATOM 1138 CG MET A 71 11.315 18.324 -1.076 1.00 0.00 C ATOM 1139 SD MET A 71 12.393 19.497 -0.232 1.00 0.00 S ATOM 1140 CE MET A 71 13.750 19.606 -1.396 1.00 0.00 C ATOM 0 H MET A 71 8.498 16.589 1.138 1.00 0.00 H new ATOM 0 HA MET A 71 9.832 19.138 1.210 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.048 17.100 0.659 1.00 0.00 H new ATOM 0 HB3 MET A 71 9.944 16.736 -0.653 1.00 0.00 H new ATOM 0 HG2 MET A 71 11.923 17.622 -1.646 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.691 18.859 -1.792 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.502 20.297 -1.015 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.196 18.620 -1.528 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.379 19.967 -2.355 1.00 0.00 H new ATOM 1150 N GLU A 72 7.644 18.477 -1.171 1.00 0.00 N ATOM 1151 CA GLU A 72 6.823 19.087 -2.209 1.00 0.00 C ATOM 1152 C GLU A 72 5.350 19.087 -1.810 1.00 0.00 C ATOM 1153 O GLU A 72 4.942 18.357 -0.908 1.00 0.00 O ATOM 1154 CB GLU A 72 7.004 18.344 -3.535 1.00 0.00 C ATOM 1155 CG GLU A 72 6.623 19.169 -4.753 1.00 0.00 C ATOM 1156 CD GLU A 72 5.149 19.058 -5.095 1.00 0.00 C ATOM 1157 OE1 GLU A 72 4.590 17.951 -4.954 1.00 0.00 O ATOM 1158 OE2 GLU A 72 4.557 20.079 -5.503 1.00 0.00 O ATOM 0 H GLU A 72 7.450 17.489 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 72 7.147 20.120 -2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.045 18.033 -3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.401 17.436 -3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.872 20.214 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.216 18.844 -5.608 1.00 0.00 H new ATOM 1165 N GLN A 73 4.559 19.912 -2.490 1.00 0.00 N ATOM 1166 CA GLN A 73 3.134 20.008 -2.205 1.00 0.00 C ATOM 1167 C GLN A 73 2.366 20.499 -3.428 1.00 0.00 C ATOM 1168 O GLN A 73 2.888 21.272 -4.231 1.00 0.00 O ATOM 1169 CB GLN A 73 2.890 20.949 -1.024 1.00 0.00 C ATOM 1170 CG GLN A 73 3.255 22.396 -1.313 1.00 0.00 C ATOM 1171 CD GLN A 73 3.258 23.257 -0.064 1.00 0.00 C ATOM 1172 OE1 GLN A 73 2.728 22.865 0.975 1.00 0.00 O ATOM 1173 NE2 GLN A 73 3.857 24.439 -0.162 1.00 0.00 N ATOM 0 H GLN A 73 4.882 20.522 -3.241 1.00 0.00 H new ATOM 0 HA GLN A 73 2.773 19.012 -1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.839 20.898 -0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.468 20.601 -0.168 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.240 22.433 -1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.548 22.809 -2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.284 24.723 -1.044 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.890 25.062 0.645 1.00 0.00 H new ATOM 1182 N ALA A 74 1.124 20.047 -3.563 1.00 0.00 N ATOM 1183 CA ALA A 74 0.284 20.441 -4.687 1.00 0.00 C ATOM 1184 C ALA A 74 -1.165 20.632 -4.251 1.00 0.00 C ATOM 1185 O ALA A 74 -1.712 19.817 -3.506 1.00 0.00 O ATOM 1186 CB ALA A 74 0.369 19.406 -5.799 1.00 0.00 C ATOM 0 H ALA A 74 0.677 19.407 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 74 0.652 21.395 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.264 19.714 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.401 19.321 -6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.030 18.440 -5.424 1.00 0.00 H new ATOM 1192 N VAL A 75 -1.781 21.713 -4.717 1.00 0.00 N ATOM 1193 CA VAL A 75 -3.166 22.011 -4.374 1.00 0.00 C ATOM 1194 C VAL A 75 -4.128 21.118 -5.151 1.00 0.00 C ATOM 1195 O VAL A 75 -4.032 20.998 -6.373 1.00 0.00 O ATOM 1196 CB VAL A 75 -3.510 23.485 -4.657 1.00 0.00 C ATOM 1197 CG1 VAL A 75 -2.627 24.407 -3.831 1.00 0.00 C ATOM 1198 CG2 VAL A 75 -3.372 23.790 -6.141 1.00 0.00 C ATOM 0 H VAL A 75 -1.343 22.397 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.276 21.819 -3.307 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.547 23.659 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.884 25.445 -4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.781 24.205 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.581 24.233 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.619 24.836 -6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.347 23.599 -6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.051 23.153 -6.708 1.00 0.00 H new ATOM 1208 N LEU A 76 -5.057 20.495 -4.434 1.00 0.00 N ATOM 1209 CA LEU A 76 -6.038 19.612 -5.056 1.00 0.00 C ATOM 1210 C LEU A 76 -7.319 19.555 -4.230 1.00 0.00 C ATOM 1211 O LEU A 76 -7.370 20.060 -3.108 1.00 0.00 O ATOM 1212 CB LEU A 76 -5.460 18.206 -5.217 1.00 0.00 C ATOM 1213 CG LEU A 76 -5.416 17.349 -3.951 1.00 0.00 C ATOM 1214 CD1 LEU A 76 -5.226 15.883 -4.306 1.00 0.00 C ATOM 1215 CD2 LEU A 76 -4.307 17.825 -3.024 1.00 0.00 C ATOM 0 H LEU A 76 -5.152 20.585 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.278 20.014 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.046 17.678 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.446 18.294 -5.607 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.367 17.454 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.197 15.288 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.055 15.549 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.290 15.759 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.290 17.204 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.348 17.750 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.488 18.862 -2.743 1.00 0.00 H new ATOM 1227 N ASP A 77 -8.352 18.937 -4.791 1.00 0.00 N ATOM 1228 CA ASP A 77 -9.633 18.811 -4.106 1.00 0.00 C ATOM 1229 C ASP A 77 -9.913 17.357 -3.739 1.00 0.00 C ATOM 1230 O ASP A 77 -10.183 16.529 -4.609 1.00 0.00 O ATOM 1231 CB ASP A 77 -10.761 19.356 -4.984 1.00 0.00 C ATOM 1232 CG ASP A 77 -10.935 18.560 -6.262 1.00 0.00 C ATOM 1233 OD1 ASP A 77 -10.090 18.706 -7.171 1.00 0.00 O ATOM 1234 OD2 ASP A 77 -11.915 17.792 -6.355 1.00 0.00 O ATOM 0 H ASP A 77 -8.327 18.515 -5.719 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.585 19.395 -3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.694 19.343 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.553 20.397 -5.233 1.00 0.00 H new ATOM 1239 N SER A 78 -9.845 17.053 -2.447 1.00 0.00 N ATOM 1240 CA SER A 78 -10.086 15.698 -1.965 1.00 0.00 C ATOM 1241 C SER A 78 -11.446 15.598 -1.282 1.00 0.00 C ATOM 1242 O SER A 78 -11.846 16.492 -0.537 1.00 0.00 O ATOM 1243 CB SER A 78 -8.983 15.276 -0.995 1.00 0.00 C ATOM 1244 OG SER A 78 -9.142 15.906 0.264 1.00 0.00 O ATOM 0 H SER A 78 -9.625 17.728 -1.714 1.00 0.00 H new ATOM 0 HA SER A 78 -10.081 15.027 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.001 14.194 -0.868 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.009 15.532 -1.413 1.00 0.00 H new ATOM 0 HG SER A 78 -8.425 15.618 0.867 1.00 0.00 H new ATOM 1250 N MET A 79 -12.152 14.503 -1.543 1.00 0.00 N ATOM 1251 CA MET A 79 -13.468 14.284 -0.953 1.00 0.00 C ATOM 1252 C MET A 79 -13.344 13.819 0.495 1.00 0.00 C ATOM 1253 O MET A 79 -12.610 12.877 0.793 1.00 0.00 O ATOM 1254 CB MET A 79 -14.252 13.253 -1.766 1.00 0.00 C ATOM 1255 CG MET A 79 -13.551 11.908 -1.879 1.00 0.00 C ATOM 1256 SD MET A 79 -14.354 10.802 -3.054 1.00 0.00 S ATOM 1257 CE MET A 79 -13.198 10.861 -4.420 1.00 0.00 C ATOM 0 H MET A 79 -11.836 13.754 -2.159 1.00 0.00 H new ATOM 0 HA MET A 79 -14.006 15.232 -0.968 1.00 0.00 H new ATOM 0 HB2 MET A 79 -15.229 13.107 -1.306 1.00 0.00 H new ATOM 0 HB3 MET A 79 -14.426 13.648 -2.767 1.00 0.00 H new ATOM 0 HG2 MET A 79 -12.517 12.066 -2.184 1.00 0.00 H new ATOM 0 HG3 MET A 79 -13.525 11.433 -0.898 1.00 0.00 H new ATOM 0 HE1 MET A 79 -13.557 10.224 -5.228 1.00 0.00 H new ATOM 0 HE2 MET A 79 -13.110 11.887 -4.778 1.00 0.00 H new ATOM 0 HE3 MET A 79 -12.222 10.508 -4.086 1.00 0.00 H new ATOM 1267 N GLY A 80 -14.066 14.484 1.391 1.00 0.00 N ATOM 1268 CA GLY A 80 -14.022 14.123 2.795 1.00 0.00 C ATOM 1269 C GLY A 80 -15.299 13.455 3.264 1.00 0.00 C ATOM 1270 O GLY A 80 -15.927 13.903 4.223 1.00 0.00 O ATOM 0 H GLY A 80 -14.681 15.267 1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.180 13.452 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.844 15.018 3.391 1.00 0.00 H new ATOM 1274 N SER A 81 -15.685 12.380 2.584 1.00 0.00 N ATOM 1275 CA SER A 81 -16.901 11.651 2.931 1.00 0.00 C ATOM 1276 C SER A 81 -16.603 10.169 3.137 1.00 0.00 C ATOM 1277 O SER A 81 -15.772 9.587 2.440 1.00 0.00 O ATOM 1278 CB SER A 81 -17.956 11.823 1.838 1.00 0.00 C ATOM 1279 OG SER A 81 -19.157 11.155 2.177 1.00 0.00 O ATOM 0 H SER A 81 -15.174 11.994 1.790 1.00 0.00 H new ATOM 0 HA SER A 81 -17.287 12.061 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 81 -18.157 12.884 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 81 -17.573 11.433 0.895 1.00 0.00 H new ATOM 0 HG SER A 81 -19.815 11.282 1.462 1.00 0.00 H new ATOM 1285 N GLY A 82 -17.290 9.563 4.101 1.00 0.00 N ATOM 1286 CA GLY A 82 -17.087 8.154 4.383 1.00 0.00 C ATOM 1287 C GLY A 82 -17.995 7.646 5.485 1.00 0.00 C ATOM 1288 O GLY A 82 -18.572 8.433 6.237 1.00 0.00 O ATOM 0 H GLY A 82 -17.983 10.023 4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.264 7.576 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -16.048 7.990 4.668 1.00 0.00 H new ATOM 1292 N LYS A 83 -18.124 6.327 5.585 1.00 0.00 N ATOM 1293 CA LYS A 83 -18.968 5.714 6.602 1.00 0.00 C ATOM 1294 C LYS A 83 -18.479 4.310 6.941 1.00 0.00 C ATOM 1295 O LYS A 83 -18.127 3.534 6.053 1.00 0.00 O ATOM 1296 CB LYS A 83 -20.420 5.660 6.124 1.00 0.00 C ATOM 1297 CG LYS A 83 -21.096 7.019 6.074 1.00 0.00 C ATOM 1298 CD LYS A 83 -22.593 6.907 6.316 1.00 0.00 C ATOM 1299 CE LYS A 83 -22.915 6.876 7.802 1.00 0.00 C ATOM 1300 NZ LYS A 83 -22.670 8.194 8.451 1.00 0.00 N ATOM 0 H LYS A 83 -17.653 5.661 4.972 1.00 0.00 H new ATOM 0 HA LYS A 83 -18.912 6.326 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -20.450 5.212 5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -20.987 5.006 6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -20.653 7.674 6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -20.917 7.480 5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -23.102 7.750 5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -22.973 6.003 5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -23.958 6.591 7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -22.308 6.113 8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -23.200 8.245 9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -21.654 8.302 8.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -22.985 8.957 7.818 1.00 0.00 H new ATOM 1314 N SER A 84 -18.461 3.989 8.231 1.00 0.00 N ATOM 1315 CA SER A 84 -18.013 2.679 8.686 1.00 0.00 C ATOM 1316 C SER A 84 -19.161 1.671 8.655 1.00 0.00 C ATOM 1317 O SER A 84 -20.329 2.048 8.587 1.00 0.00 O ATOM 1318 CB SER A 84 -17.442 2.775 10.103 1.00 0.00 C ATOM 1319 OG SER A 84 -18.419 3.243 11.015 1.00 0.00 O ATOM 0 H SER A 84 -18.752 4.619 8.979 1.00 0.00 H new ATOM 0 HA SER A 84 -17.231 2.335 8.009 1.00 0.00 H new ATOM 0 HB2 SER A 84 -17.082 1.796 10.421 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.584 3.447 10.108 1.00 0.00 H new ATOM 0 HG SER A 84 -18.030 3.294 11.913 1.00 0.00 H new ATOM 1325 N GLY A 85 -18.814 0.388 8.706 1.00 0.00 N ATOM 1326 CA GLY A 85 -19.824 -0.653 8.684 1.00 0.00 C ATOM 1327 C GLY A 85 -20.132 -1.193 10.066 1.00 0.00 C ATOM 1328 O GLY A 85 -19.257 -1.286 10.929 1.00 0.00 O ATOM 0 H GLY A 85 -17.853 0.052 8.762 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -20.738 -0.259 8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -19.486 -1.469 8.046 1.00 0.00 H new ATOM 1332 N PRO A 86 -21.401 -1.560 10.293 1.00 0.00 N ATOM 1333 CA PRO A 86 -21.853 -2.098 11.580 1.00 0.00 C ATOM 1334 C PRO A 86 -21.298 -3.493 11.849 1.00 0.00 C ATOM 1335 O PRO A 86 -20.495 -4.012 11.076 1.00 0.00 O ATOM 1336 CB PRO A 86 -23.374 -2.147 11.431 1.00 0.00 C ATOM 1337 CG PRO A 86 -23.609 -2.250 9.963 1.00 0.00 C ATOM 1338 CD PRO A 86 -22.496 -1.477 9.312 1.00 0.00 C ATOM 0 HA PRO A 86 -21.514 -1.489 12.418 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -23.796 -3.001 11.960 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -23.841 -1.253 11.845 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -23.603 -3.291 9.639 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -24.581 -1.837 9.693 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -22.211 -1.913 8.354 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -22.784 -0.444 9.119 1.00 0.00 H new ATOM 1346 N SER A 87 -21.734 -4.095 12.952 1.00 0.00 N ATOM 1347 CA SER A 87 -21.279 -5.429 13.326 1.00 0.00 C ATOM 1348 C SER A 87 -22.383 -6.459 13.112 1.00 0.00 C ATOM 1349 O SER A 87 -23.507 -6.114 12.746 1.00 0.00 O ATOM 1350 CB SER A 87 -20.827 -5.446 14.787 1.00 0.00 C ATOM 1351 OG SER A 87 -19.599 -4.758 14.950 1.00 0.00 O ATOM 0 H SER A 87 -22.402 -3.680 13.602 1.00 0.00 H new ATOM 0 HA SER A 87 -20.434 -5.689 12.689 1.00 0.00 H new ATOM 0 HB2 SER A 87 -21.591 -4.985 15.413 1.00 0.00 H new ATOM 0 HB3 SER A 87 -20.718 -6.477 15.125 1.00 0.00 H new ATOM 0 HG SER A 87 -19.333 -4.782 15.893 1.00 0.00 H new ATOM 1357 N SER A 88 -22.055 -7.726 13.341 1.00 0.00 N ATOM 1358 CA SER A 88 -23.015 -8.809 13.170 1.00 0.00 C ATOM 1359 C SER A 88 -23.109 -9.659 14.433 1.00 0.00 C ATOM 1360 O SER A 88 -22.128 -9.824 15.157 1.00 0.00 O ATOM 1361 CB SER A 88 -22.621 -9.686 11.979 1.00 0.00 C ATOM 1362 OG SER A 88 -21.591 -10.593 12.334 1.00 0.00 O ATOM 0 H SER A 88 -21.130 -8.028 13.646 1.00 0.00 H new ATOM 0 HA SER A 88 -23.992 -8.366 12.979 1.00 0.00 H new ATOM 0 HB2 SER A 88 -23.492 -10.239 11.626 1.00 0.00 H new ATOM 0 HB3 SER A 88 -22.288 -9.057 11.154 1.00 0.00 H new ATOM 0 HG SER A 88 -21.358 -11.143 11.557 1.00 0.00 H new ATOM 1368 N GLY A 89 -24.297 -10.196 14.692 1.00 0.00 N ATOM 1369 CA GLY A 89 -24.498 -11.022 15.867 1.00 0.00 C ATOM 1370 C GLY A 89 -25.908 -11.571 15.956 1.00 0.00 C ATOM 1371 O GLY A 89 -26.158 -12.548 16.663 1.00 0.00 O ATOM 0 H GLY A 89 -25.124 -10.073 14.108 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -23.789 -11.850 15.851 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -24.283 -10.436 16.760 1.00 0.00 H new TER 1375 GLY A 89