USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=29 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 Set 1.1: A 21 THR OG1 : rot -117:sc= 1.07 USER MOD Set 1.2: A 24 GLN : amide:sc= 0.468 K(o=1.5,f=-0.5) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0323 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.018 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 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= 1.11 (180deg=0.356) USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= 0.327 (180deg=0.0645) USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= -0.0559 (180deg=-1.12) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 164:sc= -0.0156 (180deg=-0.275) USER MOD Single : A 31 SER OG : rot -91:sc= -0.566 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 111:sc= 0.0666 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.346 USER MOD Single : A 40 GLN :FLIP amide:sc= -0.642 F(o=-1.4,f=-0.64) USER MOD Single : A 50 THR OG1 : rot -60:sc= 0.553 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 88:sc= 0.0811 USER MOD Single : A 66 LYS NZ :NH3+ -145:sc= -0.931 (180deg=-2.99!) USER MOD Single : A 70 SER OG : rot 31:sc= 1.21 USER MOD Single : A 71 MET CE :methyl -171:sc= 0 (180deg=-0.0691) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 78 SER OG : rot 180:sc= -0.07 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+ 165:sc=-0.00969 (180deg=-0.171) 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 -10.166 41.729 -29.713 1.00 0.00 N ATOM 2 CA GLY A 1 -9.563 42.339 -28.543 1.00 0.00 C ATOM 3 C GLY A 1 -8.448 41.493 -27.958 1.00 0.00 C ATOM 4 O GLY A 1 -8.484 40.266 -28.038 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.202 41.782 -29.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.855 42.234 -30.567 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.874 40.733 -29.774 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.169 43.319 -28.810 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.329 42.499 -27.785 1.00 0.00 H new ATOM 8 N SER A 2 -7.453 42.152 -27.372 1.00 0.00 N ATOM 9 CA SER A 2 -6.320 41.453 -26.776 1.00 0.00 C ATOM 10 C SER A 2 -6.793 40.273 -25.932 1.00 0.00 C ATOM 11 O SER A 2 -6.320 39.148 -26.098 1.00 0.00 O ATOM 12 CB SER A 2 -5.497 42.412 -25.916 1.00 0.00 C ATOM 13 OG SER A 2 -6.315 43.083 -24.974 1.00 0.00 O ATOM 0 H SER A 2 -7.408 43.168 -27.297 1.00 0.00 H new ATOM 0 HA SER A 2 -5.694 41.073 -27.583 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.716 41.859 -25.395 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.999 43.142 -26.555 1.00 0.00 H new ATOM 0 HG SER A 2 -5.764 43.689 -24.435 1.00 0.00 H new ATOM 19 N SER A 3 -7.728 40.539 -25.026 1.00 0.00 N ATOM 20 CA SER A 3 -8.263 39.501 -24.153 1.00 0.00 C ATOM 21 C SER A 3 -9.316 38.669 -24.879 1.00 0.00 C ATOM 22 O SER A 3 -9.228 37.443 -24.932 1.00 0.00 O ATOM 23 CB SER A 3 -8.868 40.125 -22.895 1.00 0.00 C ATOM 24 OG SER A 3 -7.863 40.433 -21.944 1.00 0.00 O ATOM 0 H SER A 3 -8.131 41.464 -24.877 1.00 0.00 H new ATOM 0 HA SER A 3 -7.442 38.844 -23.865 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.412 41.032 -23.161 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.590 39.437 -22.455 1.00 0.00 H new ATOM 0 HG SER A 3 -8.276 40.832 -21.150 1.00 0.00 H new ATOM 30 N GLY A 4 -10.316 39.347 -25.436 1.00 0.00 N ATOM 31 CA GLY A 4 -11.372 38.656 -26.151 1.00 0.00 C ATOM 32 C GLY A 4 -12.179 37.739 -25.251 1.00 0.00 C ATOM 33 O GLY A 4 -12.941 38.203 -24.403 1.00 0.00 O ATOM 0 H GLY A 4 -10.413 40.362 -25.404 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.037 39.389 -26.608 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.936 38.072 -26.962 1.00 0.00 H new ATOM 37 N SER A 5 -12.011 36.434 -25.436 1.00 0.00 N ATOM 38 CA SER A 5 -12.733 35.450 -24.639 1.00 0.00 C ATOM 39 C SER A 5 -12.123 35.329 -23.245 1.00 0.00 C ATOM 40 O SER A 5 -10.920 35.512 -23.063 1.00 0.00 O ATOM 41 CB SER A 5 -12.717 34.087 -25.334 1.00 0.00 C ATOM 42 OG SER A 5 -13.325 34.160 -26.612 1.00 0.00 O ATOM 0 H SER A 5 -11.381 36.033 -26.131 1.00 0.00 H new ATOM 0 HA SER A 5 -13.765 35.786 -24.539 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.689 33.739 -25.436 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.242 33.355 -24.719 1.00 0.00 H new ATOM 0 HG SER A 5 -13.301 33.277 -27.037 1.00 0.00 H new ATOM 48 N SER A 6 -12.964 35.017 -22.264 1.00 0.00 N ATOM 49 CA SER A 6 -12.512 34.875 -20.885 1.00 0.00 C ATOM 50 C SER A 6 -11.548 33.700 -20.748 1.00 0.00 C ATOM 51 O SER A 6 -11.297 32.973 -21.709 1.00 0.00 O ATOM 52 CB SER A 6 -13.707 34.680 -19.950 1.00 0.00 C ATOM 53 OG SER A 6 -13.402 35.112 -18.636 1.00 0.00 O ATOM 0 H SER A 6 -13.962 34.858 -22.399 1.00 0.00 H new ATOM 0 HA SER A 6 -11.987 35.789 -20.605 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.564 35.236 -20.329 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.992 33.628 -19.933 1.00 0.00 H new ATOM 0 HG SER A 6 -14.182 34.978 -18.058 1.00 0.00 H new ATOM 59 N GLY A 7 -11.011 33.520 -19.546 1.00 0.00 N ATOM 60 CA GLY A 7 -10.080 32.431 -19.304 1.00 0.00 C ATOM 61 C GLY A 7 -10.776 31.089 -19.189 1.00 0.00 C ATOM 62 O GLY A 7 -11.172 30.501 -20.194 1.00 0.00 O ATOM 0 H GLY A 7 -11.203 34.108 -18.735 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.353 32.392 -20.115 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.525 32.629 -18.387 1.00 0.00 H new ATOM 66 N ALA A 8 -10.922 30.603 -17.961 1.00 0.00 N ATOM 67 CA ALA A 8 -11.574 29.323 -17.719 1.00 0.00 C ATOM 68 C ALA A 8 -10.853 28.193 -18.447 1.00 0.00 C ATOM 69 O ALA A 8 -11.487 27.334 -19.059 1.00 0.00 O ATOM 70 CB ALA A 8 -13.032 29.384 -18.148 1.00 0.00 C ATOM 0 H ALA A 8 -10.597 31.077 -17.118 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.530 29.117 -16.649 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.507 28.421 -17.961 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.547 30.158 -17.579 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.089 29.617 -19.211 1.00 0.00 H new ATOM 76 N TYR A 9 -9.527 28.203 -18.377 1.00 0.00 N ATOM 77 CA TYR A 9 -8.720 27.181 -19.033 1.00 0.00 C ATOM 78 C TYR A 9 -9.133 25.785 -18.577 1.00 0.00 C ATOM 79 O TYR A 9 -9.543 24.941 -19.373 1.00 0.00 O ATOM 80 CB TYR A 9 -7.235 27.407 -18.739 1.00 0.00 C ATOM 81 CG TYR A 9 -6.433 26.128 -18.656 1.00 0.00 C ATOM 82 CD1 TYR A 9 -6.509 25.173 -19.663 1.00 0.00 C ATOM 83 CD2 TYR A 9 -5.600 25.875 -17.574 1.00 0.00 C ATOM 84 CE1 TYR A 9 -5.777 24.003 -19.594 1.00 0.00 C ATOM 85 CE2 TYR A 9 -4.864 24.709 -17.497 1.00 0.00 C ATOM 86 CZ TYR A 9 -4.956 23.776 -18.509 1.00 0.00 C ATOM 87 OH TYR A 9 -4.226 22.611 -18.435 1.00 0.00 O ATOM 0 H TYR A 9 -8.988 28.907 -17.873 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.887 27.257 -20.107 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.812 28.042 -19.517 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.138 27.949 -17.798 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.151 25.348 -20.514 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.527 26.603 -16.779 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.847 23.271 -20.385 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.220 24.529 -16.649 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.699 22.607 -17.609 1.00 0.00 H new ATOM 97 N PRO A 10 -9.025 25.536 -17.263 1.00 0.00 N ATOM 98 CA PRO A 10 -9.383 24.245 -16.670 1.00 0.00 C ATOM 99 C PRO A 10 -10.887 23.994 -16.693 1.00 0.00 C ATOM 100 O PRO A 10 -11.679 24.881 -16.373 1.00 0.00 O ATOM 101 CB PRO A 10 -8.884 24.366 -15.228 1.00 0.00 C ATOM 102 CG PRO A 10 -8.877 25.829 -14.951 1.00 0.00 C ATOM 103 CD PRO A 10 -8.544 26.497 -16.256 1.00 0.00 C ATOM 0 HA PRO A 10 -8.947 23.410 -17.218 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.539 23.835 -14.537 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.888 23.937 -15.116 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.847 26.160 -14.580 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.141 26.078 -14.187 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.041 27.462 -16.352 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.474 26.679 -16.353 1.00 0.00 H new ATOM 111 N ASP A 11 -11.274 22.781 -17.072 1.00 0.00 N ATOM 112 CA ASP A 11 -12.683 22.413 -17.135 1.00 0.00 C ATOM 113 C ASP A 11 -13.192 21.972 -15.767 1.00 0.00 C ATOM 114 O ASP A 11 -12.413 21.805 -14.828 1.00 0.00 O ATOM 115 CB ASP A 11 -12.896 21.294 -18.157 1.00 0.00 C ATOM 116 CG ASP A 11 -12.934 21.810 -19.581 1.00 0.00 C ATOM 117 OD1 ASP A 11 -13.628 22.820 -19.828 1.00 0.00 O ATOM 118 OD2 ASP A 11 -12.273 21.205 -20.449 1.00 0.00 O ATOM 0 H ASP A 11 -10.631 22.036 -17.340 1.00 0.00 H new ATOM 0 HA ASP A 11 -13.248 23.292 -17.447 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.095 20.561 -18.061 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.830 20.777 -17.936 1.00 0.00 H new ATOM 123 N PHE A 12 -14.504 21.787 -15.659 1.00 0.00 N ATOM 124 CA PHE A 12 -15.117 21.368 -14.403 1.00 0.00 C ATOM 125 C PHE A 12 -15.734 19.979 -14.538 1.00 0.00 C ATOM 126 O PHE A 12 -16.790 19.814 -15.149 1.00 0.00 O ATOM 127 CB PHE A 12 -16.185 22.374 -13.972 1.00 0.00 C ATOM 128 CG PHE A 12 -17.017 21.905 -12.813 1.00 0.00 C ATOM 129 CD1 PHE A 12 -16.569 22.069 -11.512 1.00 0.00 C ATOM 130 CD2 PHE A 12 -18.246 21.301 -13.024 1.00 0.00 C ATOM 131 CE1 PHE A 12 -17.332 21.639 -10.443 1.00 0.00 C ATOM 132 CE2 PHE A 12 -19.013 20.870 -11.958 1.00 0.00 C ATOM 133 CZ PHE A 12 -18.555 21.038 -10.667 1.00 0.00 C ATOM 0 H PHE A 12 -15.163 21.921 -16.426 1.00 0.00 H new ATOM 0 HA PHE A 12 -14.338 21.328 -13.641 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -15.701 23.314 -13.705 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.840 22.582 -14.818 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.613 22.538 -11.331 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.609 21.166 -14.032 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.972 21.773 -9.434 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -19.970 20.402 -12.135 1.00 0.00 H new ATOM 0 HZ PHE A 12 -19.152 20.700 -9.833 1.00 0.00 H new ATOM 143 N ALA A 13 -15.068 18.983 -13.963 1.00 0.00 N ATOM 144 CA ALA A 13 -15.551 17.610 -14.016 1.00 0.00 C ATOM 145 C ALA A 13 -15.499 16.956 -12.639 1.00 0.00 C ATOM 146 O ALA A 13 -14.588 17.193 -11.847 1.00 0.00 O ATOM 147 CB ALA A 13 -14.737 16.802 -15.017 1.00 0.00 C ATOM 0 H ALA A 13 -14.192 19.102 -13.455 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.591 17.629 -14.341 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.109 15.778 -15.046 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.829 17.250 -16.007 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.689 16.799 -14.716 1.00 0.00 H new ATOM 153 N PRO A 14 -16.500 16.112 -12.346 1.00 0.00 N ATOM 154 CA PRO A 14 -16.591 15.407 -11.063 1.00 0.00 C ATOM 155 C PRO A 14 -15.515 14.338 -10.913 1.00 0.00 C ATOM 156 O PRO A 14 -14.891 13.931 -11.892 1.00 0.00 O ATOM 157 CB PRO A 14 -17.981 14.767 -11.109 1.00 0.00 C ATOM 158 CG PRO A 14 -18.281 14.616 -12.561 1.00 0.00 C ATOM 159 CD PRO A 14 -17.621 15.782 -13.243 1.00 0.00 C ATOM 0 HA PRO A 14 -16.444 16.078 -10.216 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -17.990 13.803 -10.601 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.722 15.395 -10.615 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.895 13.671 -12.943 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.356 14.617 -12.740 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.272 15.519 -14.242 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.306 16.622 -13.356 1.00 0.00 H new ATOM 167 N GLN A 15 -15.306 13.885 -9.681 1.00 0.00 N ATOM 168 CA GLN A 15 -14.304 12.862 -9.402 1.00 0.00 C ATOM 169 C GLN A 15 -14.591 12.165 -8.077 1.00 0.00 C ATOM 170 O GLN A 15 -15.354 12.668 -7.251 1.00 0.00 O ATOM 171 CB GLN A 15 -12.906 13.481 -9.377 1.00 0.00 C ATOM 172 CG GLN A 15 -12.720 14.515 -8.277 1.00 0.00 C ATOM 173 CD GLN A 15 -11.679 15.560 -8.630 1.00 0.00 C ATOM 174 OE1 GLN A 15 -11.972 16.754 -8.671 1.00 0.00 O ATOM 175 NE2 GLN A 15 -10.455 15.113 -8.886 1.00 0.00 N ATOM 0 H GLN A 15 -15.817 14.210 -8.860 1.00 0.00 H new ATOM 0 HA GLN A 15 -14.349 12.118 -10.198 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.169 12.689 -9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.707 13.948 -10.341 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.672 15.008 -8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.427 14.012 -7.356 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.257 14.113 -8.840 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.713 15.769 -9.128 1.00 0.00 H new ATOM 184 N LYS A 16 -13.976 11.005 -7.879 1.00 0.00 N ATOM 185 CA LYS A 16 -14.163 10.239 -6.653 1.00 0.00 C ATOM 186 C LYS A 16 -12.834 9.686 -6.148 1.00 0.00 C ATOM 187 O LYS A 16 -11.862 9.595 -6.899 1.00 0.00 O ATOM 188 CB LYS A 16 -15.147 9.091 -6.889 1.00 0.00 C ATOM 189 CG LYS A 16 -16.572 9.554 -7.143 1.00 0.00 C ATOM 190 CD LYS A 16 -17.580 8.468 -6.811 1.00 0.00 C ATOM 191 CE LYS A 16 -18.905 9.056 -6.352 1.00 0.00 C ATOM 192 NZ LYS A 16 -19.982 8.028 -6.305 1.00 0.00 N ATOM 0 H LYS A 16 -13.343 10.574 -8.553 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.570 10.909 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.808 8.502 -7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.137 8.431 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.780 10.440 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -16.680 9.844 -8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.743 7.842 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.177 7.823 -6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -18.783 9.499 -5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -19.199 9.859 -7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.896 8.472 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -19.781 7.282 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.022 7.611 -5.353 1.00 0.00 H new ATOM 206 N PHE A 17 -12.798 9.316 -4.872 1.00 0.00 N ATOM 207 CA PHE A 17 -11.588 8.772 -4.268 1.00 0.00 C ATOM 208 C PHE A 17 -11.925 7.644 -3.297 1.00 0.00 C ATOM 209 O PHE A 17 -12.834 7.767 -2.476 1.00 0.00 O ATOM 210 CB PHE A 17 -10.816 9.873 -3.539 1.00 0.00 C ATOM 211 CG PHE A 17 -10.137 10.843 -4.465 1.00 0.00 C ATOM 212 CD1 PHE A 17 -10.813 11.954 -4.942 1.00 0.00 C ATOM 213 CD2 PHE A 17 -8.824 10.643 -4.858 1.00 0.00 C ATOM 214 CE1 PHE A 17 -10.192 12.847 -5.794 1.00 0.00 C ATOM 215 CE2 PHE A 17 -8.198 11.533 -5.709 1.00 0.00 C ATOM 216 CZ PHE A 17 -8.883 12.637 -6.178 1.00 0.00 C ATOM 0 H PHE A 17 -13.593 9.383 -4.237 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.964 8.368 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.502 10.420 -2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.067 9.414 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.837 12.124 -4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.283 9.781 -4.495 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.731 13.709 -6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.174 11.366 -6.007 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.396 13.334 -6.843 1.00 0.00 H new ATOM 226 N LYS A 18 -11.186 6.544 -3.397 1.00 0.00 N ATOM 227 CA LYS A 18 -11.403 5.393 -2.528 1.00 0.00 C ATOM 228 C LYS A 18 -10.470 5.436 -1.323 1.00 0.00 C ATOM 229 O LYS A 18 -9.348 5.934 -1.414 1.00 0.00 O ATOM 230 CB LYS A 18 -11.189 4.093 -3.307 1.00 0.00 C ATOM 231 CG LYS A 18 -11.683 2.858 -2.574 1.00 0.00 C ATOM 232 CD LYS A 18 -13.200 2.781 -2.568 1.00 0.00 C ATOM 233 CE LYS A 18 -13.706 1.809 -1.514 1.00 0.00 C ATOM 234 NZ LYS A 18 -13.454 2.306 -0.134 1.00 0.00 N ATOM 0 H LYS A 18 -10.431 6.425 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.432 5.429 -2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.701 4.165 -4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.126 3.978 -3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.275 1.965 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.315 2.871 -1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.615 3.771 -2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.553 2.469 -3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.775 1.648 -1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.218 0.843 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.062 1.793 0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.456 2.150 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.667 3.323 -0.087 1.00 0.00 H new ATOM 248 N GLU A 19 -10.940 4.911 -0.196 1.00 0.00 N ATOM 249 CA GLU A 19 -10.144 4.890 1.025 1.00 0.00 C ATOM 250 C GLU A 19 -10.118 3.490 1.633 1.00 0.00 C ATOM 251 O GLU A 19 -11.093 2.742 1.544 1.00 0.00 O ATOM 252 CB GLU A 19 -10.704 5.888 2.042 1.00 0.00 C ATOM 253 CG GLU A 19 -9.664 6.407 3.021 1.00 0.00 C ATOM 254 CD GLU A 19 -8.832 7.536 2.445 1.00 0.00 C ATOM 255 OE1 GLU A 19 -7.839 7.244 1.747 1.00 0.00 O ATOM 256 OE2 GLU A 19 -9.176 8.711 2.691 1.00 0.00 O ATOM 0 H GLU A 19 -11.867 4.495 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.124 5.176 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.141 6.732 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.510 5.412 2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.163 6.754 3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.006 5.589 3.314 1.00 0.00 H new ATOM 263 N LYS A 20 -8.994 3.141 2.252 1.00 0.00 N ATOM 264 CA LYS A 20 -8.840 1.833 2.875 1.00 0.00 C ATOM 265 C LYS A 20 -9.533 1.791 4.233 1.00 0.00 C ATOM 266 O LYS A 20 -9.855 2.830 4.810 1.00 0.00 O ATOM 267 CB LYS A 20 -7.355 1.495 3.037 1.00 0.00 C ATOM 268 CG LYS A 20 -6.583 1.505 1.730 1.00 0.00 C ATOM 269 CD LYS A 20 -5.273 0.746 1.852 1.00 0.00 C ATOM 270 CE LYS A 20 -4.546 0.671 0.517 1.00 0.00 C ATOM 271 NZ LYS A 20 -5.351 -0.044 -0.512 1.00 0.00 N ATOM 0 H LYS A 20 -8.177 3.746 2.335 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.307 1.092 2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.901 2.210 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.263 0.511 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.191 1.059 0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.382 2.534 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.635 1.235 2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.468 -0.262 2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.323 1.679 0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.592 0.161 0.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.714 -0.489 -1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.930 -0.776 -0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.972 0.633 -0.999 1.00 0.00 H new ATOM 285 N THR A 21 -9.759 0.583 4.740 1.00 0.00 N ATOM 286 CA THR A 21 -10.412 0.405 6.031 1.00 0.00 C ATOM 287 C THR A 21 -9.419 0.561 7.178 1.00 0.00 C ATOM 288 O THR A 21 -8.235 0.258 7.029 1.00 0.00 O ATOM 289 CB THR A 21 -11.086 -0.975 6.134 1.00 0.00 C ATOM 290 OG1 THR A 21 -10.105 -2.011 6.007 1.00 0.00 O ATOM 291 CG2 THR A 21 -12.149 -1.141 5.060 1.00 0.00 C ATOM 0 H THR A 21 -9.499 -0.287 4.276 1.00 0.00 H new ATOM 0 HA THR A 21 -11.174 1.180 6.108 1.00 0.00 H new ATOM 0 HB THR A 21 -11.566 -1.048 7.110 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.290 -2.539 5.203 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.611 -2.124 5.154 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.910 -0.370 5.179 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.690 -1.048 4.076 1.00 0.00 H new ATOM 299 N GLN A 22 -9.909 1.035 8.318 1.00 0.00 N ATOM 300 CA GLN A 22 -9.063 1.229 9.490 1.00 0.00 C ATOM 301 C GLN A 22 -8.222 -0.014 9.767 1.00 0.00 C ATOM 302 O GLN A 22 -7.009 0.076 9.957 1.00 0.00 O ATOM 303 CB GLN A 22 -9.918 1.564 10.713 1.00 0.00 C ATOM 304 CG GLN A 22 -10.726 2.841 10.559 1.00 0.00 C ATOM 305 CD GLN A 22 -9.914 4.086 10.860 1.00 0.00 C ATOM 306 OE1 GLN A 22 -9.554 4.343 12.010 1.00 0.00 O ATOM 307 NE2 GLN A 22 -9.622 4.867 9.826 1.00 0.00 N ATOM 0 H GLN A 22 -10.887 1.292 8.456 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.390 2.062 9.287 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.598 0.735 10.908 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.270 1.657 11.585 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.113 2.901 9.542 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.588 2.804 11.226 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.941 4.615 8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.079 5.719 9.968 1.00 0.00 H new ATOM 316 N GLY A 23 -8.875 -1.170 9.788 1.00 0.00 N ATOM 317 CA GLY A 23 -8.172 -2.415 10.042 1.00 0.00 C ATOM 318 C GLY A 23 -6.968 -2.595 9.139 1.00 0.00 C ATOM 319 O GLY A 23 -5.845 -2.757 9.616 1.00 0.00 O ATOM 0 H GLY A 23 -9.878 -1.268 9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.849 -2.441 11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.857 -3.251 9.900 1.00 0.00 H new ATOM 323 N GLN A 24 -7.203 -2.571 7.832 1.00 0.00 N ATOM 324 CA GLN A 24 -6.130 -2.738 6.858 1.00 0.00 C ATOM 325 C GLN A 24 -5.019 -1.720 7.096 1.00 0.00 C ATOM 326 O GLN A 24 -3.875 -2.086 7.368 1.00 0.00 O ATOM 327 CB GLN A 24 -6.674 -2.593 5.437 1.00 0.00 C ATOM 328 CG GLN A 24 -7.666 -3.678 5.052 1.00 0.00 C ATOM 329 CD GLN A 24 -8.391 -3.374 3.755 1.00 0.00 C ATOM 330 OE1 GLN A 24 -9.606 -3.175 3.740 1.00 0.00 O ATOM 331 NE2 GLN A 24 -7.645 -3.336 2.657 1.00 0.00 N ATOM 0 H GLN A 24 -8.127 -2.437 7.422 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.715 -3.739 6.979 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.156 -1.620 5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.841 -2.608 4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.140 -4.628 4.956 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.396 -3.798 5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.641 -3.507 2.716 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.076 -3.136 1.754 1.00 0.00 H new ATOM 340 N VAL A 25 -5.362 -0.440 6.993 1.00 0.00 N ATOM 341 CA VAL A 25 -4.394 0.631 7.196 1.00 0.00 C ATOM 342 C VAL A 25 -3.640 0.447 8.509 1.00 0.00 C ATOM 343 O VAL A 25 -2.440 0.711 8.591 1.00 0.00 O ATOM 344 CB VAL A 25 -5.077 2.012 7.197 1.00 0.00 C ATOM 345 CG1 VAL A 25 -4.055 3.111 7.446 1.00 0.00 C ATOM 346 CG2 VAL A 25 -5.812 2.243 5.888 1.00 0.00 C ATOM 0 H VAL A 25 -6.304 -0.119 6.770 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.689 0.584 6.366 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.807 2.037 8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.555 4.080 7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.577 2.952 8.413 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.300 3.090 6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.288 3.223 5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.104 2.199 5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.572 1.473 5.757 1.00 0.00 H new ATOM 356 N LYS A 26 -4.352 -0.008 9.534 1.00 0.00 N ATOM 357 CA LYS A 26 -3.751 -0.230 10.845 1.00 0.00 C ATOM 358 C LYS A 26 -2.599 -1.225 10.753 1.00 0.00 C ATOM 359 O LYS A 26 -1.562 -1.049 11.392 1.00 0.00 O ATOM 360 CB LYS A 26 -4.803 -0.739 11.832 1.00 0.00 C ATOM 361 CG LYS A 26 -4.269 -0.945 13.238 1.00 0.00 C ATOM 362 CD LYS A 26 -3.637 -2.318 13.400 1.00 0.00 C ATOM 363 CE LYS A 26 -3.292 -2.604 14.853 1.00 0.00 C ATOM 364 NZ LYS A 26 -4.512 -2.725 15.700 1.00 0.00 N ATOM 0 H LYS A 26 -5.346 -0.230 9.483 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.358 0.721 11.203 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.630 -0.029 11.867 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.208 -1.682 11.464 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.531 -0.175 13.464 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.080 -0.830 13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.322 -3.081 13.031 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.734 -2.378 12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.714 -3.526 14.914 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.659 -1.805 15.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.264 -3.179 16.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.902 -1.779 15.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.222 -3.302 15.206 1.00 0.00 H new ATOM 378 N ILE A 27 -2.790 -2.271 9.954 1.00 0.00 N ATOM 379 CA ILE A 27 -1.765 -3.292 9.779 1.00 0.00 C ATOM 380 C ILE A 27 -0.521 -2.715 9.113 1.00 0.00 C ATOM 381 O ILE A 27 0.607 -3.075 9.458 1.00 0.00 O ATOM 382 CB ILE A 27 -2.285 -4.471 8.936 1.00 0.00 C ATOM 383 CG1 ILE A 27 -3.488 -5.124 9.620 1.00 0.00 C ATOM 384 CG2 ILE A 27 -1.178 -5.492 8.713 1.00 0.00 C ATOM 385 CD1 ILE A 27 -4.234 -6.096 8.731 1.00 0.00 C ATOM 0 H ILE A 27 -3.643 -2.433 9.419 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.506 -3.653 10.774 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.604 -4.091 7.965 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.148 -5.648 10.513 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.175 -4.345 9.950 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.561 -6.319 8.116 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.348 -5.020 8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.832 -5.869 9.675 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.074 -6.521 9.281 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.605 -5.572 7.850 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.561 -6.896 8.421 1.00 0.00 H new ATOM 397 N LEU A 28 -0.732 -1.816 8.157 1.00 0.00 N ATOM 398 CA LEU A 28 0.374 -1.185 7.443 1.00 0.00 C ATOM 399 C LEU A 28 1.091 -0.176 8.331 1.00 0.00 C ATOM 400 O LEU A 28 2.315 -0.200 8.452 1.00 0.00 O ATOM 401 CB LEU A 28 -0.140 -0.496 6.178 1.00 0.00 C ATOM 402 CG LEU A 28 -0.919 -1.377 5.201 1.00 0.00 C ATOM 403 CD1 LEU A 28 -1.531 -0.534 4.093 1.00 0.00 C ATOM 404 CD2 LEU A 28 -0.017 -2.455 4.618 1.00 0.00 C ATOM 0 H LEU A 28 -1.657 -1.508 7.859 1.00 0.00 H new ATOM 0 HA LEU A 28 1.085 -1.962 7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.780 0.335 6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.712 -0.069 5.650 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.727 -1.864 5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.081 -1.178 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.211 0.199 4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.740 -0.018 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.589 -3.072 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.813 -1.988 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.372 -3.079 5.423 1.00 0.00 H new ATOM 416 N GLU A 29 0.320 0.711 8.954 1.00 0.00 N ATOM 417 CA GLU A 29 0.883 1.728 9.833 1.00 0.00 C ATOM 418 C GLU A 29 1.770 1.094 10.901 1.00 0.00 C ATOM 419 O GLU A 29 2.835 1.617 11.231 1.00 0.00 O ATOM 420 CB GLU A 29 -0.235 2.536 10.497 1.00 0.00 C ATOM 421 CG GLU A 29 -0.729 3.698 9.650 1.00 0.00 C ATOM 422 CD GLU A 29 0.132 4.936 9.797 1.00 0.00 C ATOM 423 OE1 GLU A 29 -0.043 5.667 10.794 1.00 0.00 O ATOM 424 OE2 GLU A 29 0.983 5.173 8.914 1.00 0.00 O ATOM 0 H GLU A 29 -0.696 0.745 8.866 1.00 0.00 H new ATOM 0 HA GLU A 29 1.495 2.397 9.227 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.072 1.873 10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.123 2.920 11.452 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.749 3.396 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.754 3.938 9.932 1.00 0.00 H new ATOM 431 N ASP A 30 1.322 -0.034 11.440 1.00 0.00 N ATOM 432 CA ASP A 30 2.073 -0.741 12.471 1.00 0.00 C ATOM 433 C ASP A 30 3.464 -1.121 11.966 1.00 0.00 C ATOM 434 O ASP A 30 4.455 -0.968 12.679 1.00 0.00 O ATOM 435 CB ASP A 30 1.318 -1.995 12.913 1.00 0.00 C ATOM 436 CG ASP A 30 1.892 -2.599 14.181 1.00 0.00 C ATOM 437 OD1 ASP A 30 3.130 -2.589 14.334 1.00 0.00 O ATOM 438 OD2 ASP A 30 1.101 -3.080 15.018 1.00 0.00 O ATOM 0 H ASP A 30 0.442 -0.479 11.180 1.00 0.00 H new ATOM 0 HA ASP A 30 2.185 -0.074 13.326 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.269 -1.746 13.075 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.350 -2.736 12.114 1.00 0.00 H new ATOM 443 N SER A 31 3.524 -1.616 10.734 1.00 0.00 N ATOM 444 CA SER A 31 4.792 -2.022 10.136 1.00 0.00 C ATOM 445 C SER A 31 5.626 -0.803 9.752 1.00 0.00 C ATOM 446 O SER A 31 6.830 -0.758 10.003 1.00 0.00 O ATOM 447 CB SER A 31 4.541 -2.893 8.904 1.00 0.00 C ATOM 448 OG SER A 31 4.473 -4.264 9.254 1.00 0.00 O ATOM 0 H SER A 31 2.712 -1.746 10.131 1.00 0.00 H new ATOM 0 HA SER A 31 5.347 -2.601 10.874 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.610 -2.590 8.424 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.339 -2.739 8.177 1.00 0.00 H new ATOM 0 HG SER A 31 5.367 -4.661 9.195 1.00 0.00 H new ATOM 454 N PHE A 32 4.975 0.182 9.142 1.00 0.00 N ATOM 455 CA PHE A 32 5.657 1.402 8.721 1.00 0.00 C ATOM 456 C PHE A 32 6.199 2.165 9.926 1.00 0.00 C ATOM 457 O PHE A 32 7.410 2.316 10.086 1.00 0.00 O ATOM 458 CB PHE A 32 4.703 2.295 7.924 1.00 0.00 C ATOM 459 CG PHE A 32 5.403 3.354 7.122 1.00 0.00 C ATOM 460 CD1 PHE A 32 5.812 3.102 5.822 1.00 0.00 C ATOM 461 CD2 PHE A 32 5.654 4.603 7.667 1.00 0.00 C ATOM 462 CE1 PHE A 32 6.455 4.074 5.082 1.00 0.00 C ATOM 463 CE2 PHE A 32 6.298 5.579 6.933 1.00 0.00 C ATOM 464 CZ PHE A 32 6.700 5.314 5.637 1.00 0.00 C ATOM 0 H PHE A 32 3.978 0.160 8.928 1.00 0.00 H new ATOM 0 HA PHE A 32 6.496 1.119 8.085 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.112 1.673 7.252 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.006 2.773 8.612 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.625 2.133 5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.342 4.816 8.679 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.766 3.864 4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.487 6.548 7.371 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.204 6.075 5.060 1.00 0.00 H new ATOM 474 N LEU A 33 5.292 2.646 10.770 1.00 0.00 N ATOM 475 CA LEU A 33 5.678 3.395 11.960 1.00 0.00 C ATOM 476 C LEU A 33 6.979 2.855 12.547 1.00 0.00 C ATOM 477 O LEU A 33 7.840 3.618 12.985 1.00 0.00 O ATOM 478 CB LEU A 33 4.566 3.331 13.011 1.00 0.00 C ATOM 479 CG LEU A 33 3.308 4.144 12.706 1.00 0.00 C ATOM 480 CD1 LEU A 33 2.167 3.723 13.618 1.00 0.00 C ATOM 481 CD2 LEU A 33 3.588 5.633 12.850 1.00 0.00 C ATOM 0 H LEU A 33 4.285 2.531 10.652 1.00 0.00 H new ATOM 0 HA LEU A 33 5.836 4.433 11.669 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.278 2.288 13.143 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.973 3.672 13.963 1.00 0.00 H new ATOM 0 HG LEU A 33 3.012 3.949 11.675 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.280 4.312 13.387 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.950 2.666 13.465 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.452 3.889 14.657 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.682 6.197 12.629 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.908 5.846 13.870 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.375 5.924 12.154 1.00 0.00 H new ATOM 493 N LYS A 34 7.116 1.534 12.550 1.00 0.00 N ATOM 494 CA LYS A 34 8.312 0.889 13.078 1.00 0.00 C ATOM 495 C LYS A 34 9.439 0.905 12.050 1.00 0.00 C ATOM 496 O LYS A 34 10.572 1.267 12.363 1.00 0.00 O ATOM 497 CB LYS A 34 8.002 -0.552 13.488 1.00 0.00 C ATOM 498 CG LYS A 34 7.216 -0.661 14.783 1.00 0.00 C ATOM 499 CD LYS A 34 6.497 -1.995 14.888 1.00 0.00 C ATOM 500 CE LYS A 34 6.015 -2.258 16.306 1.00 0.00 C ATOM 501 NZ LYS A 34 5.772 -3.708 16.550 1.00 0.00 N ATOM 0 H LYS A 34 6.412 0.888 12.192 1.00 0.00 H new ATOM 0 HA LYS A 34 8.637 1.448 13.956 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.439 -1.035 12.689 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.938 -1.100 13.594 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.891 -0.543 15.631 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.490 0.150 14.838 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.647 -2.006 14.206 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.167 -2.796 14.576 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.756 -1.890 17.016 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.096 -1.700 16.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.445 -3.845 17.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.047 -4.054 15.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.655 -4.238 16.403 1.00 0.00 H new ATOM 515 N SER A 35 9.117 0.513 10.820 1.00 0.00 N ATOM 516 CA SER A 35 10.103 0.482 9.747 1.00 0.00 C ATOM 517 C SER A 35 9.460 0.836 8.409 1.00 0.00 C ATOM 518 O SER A 35 8.574 0.133 7.928 1.00 0.00 O ATOM 519 CB SER A 35 10.752 -0.902 9.662 1.00 0.00 C ATOM 520 OG SER A 35 12.024 -0.831 9.042 1.00 0.00 O ATOM 0 H SER A 35 8.182 0.213 10.543 1.00 0.00 H new ATOM 0 HA SER A 35 10.870 1.223 9.970 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.855 -1.321 10.663 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.106 -1.576 9.099 1.00 0.00 H new ATOM 0 HG SER A 35 12.419 -1.727 9.001 1.00 0.00 H new ATOM 526 N SER A 36 9.915 1.934 7.814 1.00 0.00 N ATOM 527 CA SER A 36 9.383 2.386 6.534 1.00 0.00 C ATOM 528 C SER A 36 9.593 1.329 5.455 1.00 0.00 C ATOM 529 O SER A 36 8.705 1.068 4.643 1.00 0.00 O ATOM 530 CB SER A 36 10.051 3.698 6.116 1.00 0.00 C ATOM 531 OG SER A 36 11.463 3.572 6.111 1.00 0.00 O ATOM 0 H SER A 36 10.651 2.527 8.198 1.00 0.00 H new ATOM 0 HA SER A 36 8.312 2.552 6.651 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.705 3.986 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.756 4.494 6.800 1.00 0.00 H new ATOM 0 HG SER A 36 11.791 3.604 5.188 1.00 0.00 H new ATOM 537 N PHE A 37 10.776 0.722 5.450 1.00 0.00 N ATOM 538 CA PHE A 37 11.103 -0.307 4.471 1.00 0.00 C ATOM 539 C PHE A 37 10.910 -1.700 5.061 1.00 0.00 C ATOM 540 O PHE A 37 11.739 -2.199 5.823 1.00 0.00 O ATOM 541 CB PHE A 37 12.546 -0.140 3.988 1.00 0.00 C ATOM 542 CG PHE A 37 12.937 1.290 3.755 1.00 0.00 C ATOM 543 CD1 PHE A 37 12.213 2.089 2.885 1.00 0.00 C ATOM 544 CD2 PHE A 37 14.032 1.838 4.408 1.00 0.00 C ATOM 545 CE1 PHE A 37 12.571 3.406 2.669 1.00 0.00 C ATOM 546 CE2 PHE A 37 14.395 3.154 4.195 1.00 0.00 C ATOM 547 CZ PHE A 37 13.664 3.939 3.325 1.00 0.00 C ATOM 0 H PHE A 37 11.524 0.926 6.113 1.00 0.00 H new ATOM 0 HA PHE A 37 10.428 -0.195 3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.220 -0.577 4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.678 -0.700 3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.358 1.677 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 37 14.607 1.229 5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 37 11.997 4.018 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 37 15.250 3.569 4.709 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.946 4.968 3.158 1.00 0.00 H new ATOM 557 N PRO A 38 9.790 -2.345 4.701 1.00 0.00 N ATOM 558 CA PRO A 38 9.462 -3.691 5.183 1.00 0.00 C ATOM 559 C PRO A 38 10.381 -4.757 4.597 1.00 0.00 C ATOM 560 O PRO A 38 11.350 -4.444 3.905 1.00 0.00 O ATOM 561 CB PRO A 38 8.025 -3.900 4.700 1.00 0.00 C ATOM 562 CG PRO A 38 7.891 -3.006 3.515 1.00 0.00 C ATOM 563 CD PRO A 38 8.760 -1.811 3.796 1.00 0.00 C ATOM 0 HA PRO A 38 9.580 -3.777 6.263 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.844 -4.941 4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.305 -3.640 5.476 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.209 -3.514 2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.853 -2.707 3.367 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.197 -1.408 2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.195 -1.004 4.262 1.00 0.00 H new ATOM 571 N THR A 39 10.072 -6.019 4.879 1.00 0.00 N ATOM 572 CA THR A 39 10.870 -7.131 4.380 1.00 0.00 C ATOM 573 C THR A 39 10.026 -8.078 3.534 1.00 0.00 C ATOM 574 O THR A 39 8.809 -7.919 3.435 1.00 0.00 O ATOM 575 CB THR A 39 11.510 -7.926 5.534 1.00 0.00 C ATOM 576 OG1 THR A 39 10.642 -8.992 5.936 1.00 0.00 O ATOM 577 CG2 THR A 39 11.791 -7.019 6.723 1.00 0.00 C ATOM 0 H THR A 39 9.274 -6.296 5.451 1.00 0.00 H new ATOM 0 HA THR A 39 11.659 -6.701 3.763 1.00 0.00 H new ATOM 0 HB THR A 39 12.454 -8.341 5.181 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.057 -9.493 6.669 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.243 -7.601 7.526 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.474 -6.225 6.422 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.857 -6.580 7.074 1.00 0.00 H new ATOM 585 N GLN A 40 10.679 -9.063 2.926 1.00 0.00 N ATOM 586 CA GLN A 40 9.988 -10.035 2.087 1.00 0.00 C ATOM 587 C GLN A 40 8.903 -10.760 2.877 1.00 0.00 C ATOM 588 O GLN A 40 7.745 -10.807 2.463 1.00 0.00 O ATOM 589 CB GLN A 40 10.982 -11.047 1.515 1.00 0.00 C ATOM 590 CG GLN A 40 11.826 -10.493 0.379 1.00 0.00 C ATOM 591 CD GLN A 40 10.988 -9.965 -0.768 1.00 0.00 C ATOM 592 OE1 GLN A 40 10.536 -8.721 -0.649 1.00 0.00 O flip ATOM 593 NE2 GLN A 40 10.746 -10.666 -1.750 1.00 0.00 N flip ATOM 0 H GLN A 40 11.686 -9.209 2.999 1.00 0.00 H new ATOM 0 HA GLN A 40 9.516 -9.497 1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.641 -11.388 2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.435 -11.920 1.158 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.460 -9.692 0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.489 -11.275 0.009 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.113 -11.616 -1.801 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.179 -10.297 -2.513 1.00 0.00 H new ATOM 602 N ALA A 41 9.288 -11.327 4.017 1.00 0.00 N ATOM 603 CA ALA A 41 8.347 -12.048 4.866 1.00 0.00 C ATOM 604 C ALA A 41 7.282 -11.113 5.426 1.00 0.00 C ATOM 605 O ALA A 41 6.090 -11.414 5.377 1.00 0.00 O ATOM 606 CB ALA A 41 9.088 -12.746 5.997 1.00 0.00 C ATOM 0 H ALA A 41 10.244 -11.301 4.373 1.00 0.00 H new ATOM 0 HA ALA A 41 7.846 -12.799 4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.375 -13.281 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.806 -13.453 5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.615 -12.005 6.598 1.00 0.00 H new ATOM 612 N GLU A 42 7.721 -9.977 5.960 1.00 0.00 N ATOM 613 CA GLU A 42 6.803 -8.998 6.531 1.00 0.00 C ATOM 614 C GLU A 42 5.681 -8.668 5.551 1.00 0.00 C ATOM 615 O GLU A 42 4.515 -8.981 5.795 1.00 0.00 O ATOM 616 CB GLU A 42 7.556 -7.721 6.911 1.00 0.00 C ATOM 617 CG GLU A 42 6.836 -6.877 7.950 1.00 0.00 C ATOM 618 CD GLU A 42 6.444 -7.675 9.178 1.00 0.00 C ATOM 619 OE1 GLU A 42 7.133 -8.671 9.484 1.00 0.00 O ATOM 620 OE2 GLU A 42 5.449 -7.304 9.834 1.00 0.00 O ATOM 0 H GLU A 42 8.705 -9.712 6.009 1.00 0.00 H new ATOM 0 HA GLU A 42 6.362 -9.432 7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.541 -7.990 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.714 -7.122 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.479 -6.049 8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.942 -6.442 7.503 1.00 0.00 H new ATOM 627 N LEU A 43 6.040 -8.033 4.441 1.00 0.00 N ATOM 628 CA LEU A 43 5.065 -7.659 3.423 1.00 0.00 C ATOM 629 C LEU A 43 4.077 -8.794 3.172 1.00 0.00 C ATOM 630 O LEU A 43 2.865 -8.613 3.293 1.00 0.00 O ATOM 631 CB LEU A 43 5.774 -7.288 2.119 1.00 0.00 C ATOM 632 CG LEU A 43 6.160 -5.818 1.959 1.00 0.00 C ATOM 633 CD1 LEU A 43 7.104 -5.638 0.781 1.00 0.00 C ATOM 634 CD2 LEU A 43 4.916 -4.957 1.786 1.00 0.00 C ATOM 0 H LEU A 43 7.000 -7.766 4.223 1.00 0.00 H new ATOM 0 HA LEU A 43 4.512 -6.793 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.678 -7.891 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.128 -7.566 1.286 1.00 0.00 H new ATOM 0 HG LEU A 43 6.677 -5.497 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.367 -4.585 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.008 -6.224 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.614 -5.976 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.209 -3.913 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.371 -5.279 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.276 -5.062 2.662 1.00 0.00 H new ATOM 646 N ASP A 44 4.603 -9.963 2.823 1.00 0.00 N ATOM 647 CA ASP A 44 3.768 -11.129 2.559 1.00 0.00 C ATOM 648 C ASP A 44 2.612 -11.207 3.552 1.00 0.00 C ATOM 649 O ASP A 44 1.488 -11.545 3.185 1.00 0.00 O ATOM 650 CB ASP A 44 4.604 -12.408 2.630 1.00 0.00 C ATOM 651 CG ASP A 44 3.824 -13.633 2.195 1.00 0.00 C ATOM 652 OD1 ASP A 44 2.644 -13.754 2.586 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.395 -14.473 1.468 1.00 0.00 O ATOM 0 H ASP A 44 5.604 -10.128 2.716 1.00 0.00 H new ATOM 0 HA ASP A 44 3.355 -11.029 1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.485 -12.298 1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.959 -12.550 3.651 1.00 0.00 H new ATOM 658 N ARG A 45 2.898 -10.891 4.811 1.00 0.00 N ATOM 659 CA ARG A 45 1.884 -10.927 5.857 1.00 0.00 C ATOM 660 C ARG A 45 0.963 -9.714 5.763 1.00 0.00 C ATOM 661 O ARG A 45 -0.234 -9.809 6.036 1.00 0.00 O ATOM 662 CB ARG A 45 2.545 -10.971 7.237 1.00 0.00 C ATOM 663 CG ARG A 45 1.720 -11.703 8.284 1.00 0.00 C ATOM 664 CD ARG A 45 2.113 -11.287 9.692 1.00 0.00 C ATOM 665 NE ARG A 45 1.712 -9.914 9.988 1.00 0.00 N ATOM 666 CZ ARG A 45 1.562 -9.441 11.221 1.00 0.00 C ATOM 667 NH1 ARG A 45 1.775 -10.228 12.266 1.00 0.00 N ATOM 668 NH2 ARG A 45 1.195 -8.180 11.409 1.00 0.00 N ATOM 0 H ARG A 45 3.824 -10.607 5.131 1.00 0.00 H new ATOM 0 HA ARG A 45 1.287 -11.828 5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.518 -11.455 7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.726 -9.951 7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.662 -11.497 8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.856 -12.778 8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.652 -11.963 10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.192 -11.383 9.811 1.00 0.00 H new ATOM 0 HE ARG A 45 1.537 -9.284 9.205 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.055 -11.199 12.125 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.659 -9.863 13.211 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.028 -7.573 10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.080 -7.818 12.356 1.00 0.00 H new ATOM 682 N LEU A 46 1.528 -8.577 5.375 1.00 0.00 N ATOM 683 CA LEU A 46 0.758 -7.345 5.244 1.00 0.00 C ATOM 684 C LEU A 46 -0.303 -7.478 4.155 1.00 0.00 C ATOM 685 O LEU A 46 -1.472 -7.161 4.371 1.00 0.00 O ATOM 686 CB LEU A 46 1.685 -6.172 4.928 1.00 0.00 C ATOM 687 CG LEU A 46 2.901 -6.011 5.842 1.00 0.00 C ATOM 688 CD1 LEU A 46 3.709 -4.786 5.444 1.00 0.00 C ATOM 689 CD2 LEU A 46 2.465 -5.915 7.296 1.00 0.00 C ATOM 0 H LEU A 46 2.517 -8.482 5.145 1.00 0.00 H new ATOM 0 HA LEU A 46 0.256 -7.157 6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.038 -6.280 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.101 -5.252 4.968 1.00 0.00 H new ATOM 0 HG LEU A 46 3.535 -6.891 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.570 -4.687 6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.052 -4.895 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.085 -3.896 5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.343 -5.801 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.810 -5.053 7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.929 -6.822 7.576 1.00 0.00 H new ATOM 701 N ARG A 47 0.115 -7.952 2.986 1.00 0.00 N ATOM 702 CA ARG A 47 -0.798 -8.128 1.863 1.00 0.00 C ATOM 703 C ARG A 47 -2.009 -8.964 2.273 1.00 0.00 C ATOM 704 O ARG A 47 -3.138 -8.475 2.284 1.00 0.00 O ATOM 705 CB ARG A 47 -0.077 -8.797 0.691 1.00 0.00 C ATOM 706 CG ARG A 47 0.980 -7.916 0.047 1.00 0.00 C ATOM 707 CD ARG A 47 2.002 -8.743 -0.720 1.00 0.00 C ATOM 708 NE ARG A 47 1.424 -9.364 -1.909 1.00 0.00 N ATOM 709 CZ ARG A 47 2.001 -10.359 -2.573 1.00 0.00 C ATOM 710 NH1 ARG A 47 3.165 -10.843 -2.166 1.00 0.00 N ATOM 711 NH2 ARG A 47 1.412 -10.871 -3.645 1.00 0.00 N ATOM 0 H ARG A 47 1.080 -8.221 2.792 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.146 -7.143 1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.392 -9.717 1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.811 -9.080 -0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.502 -7.207 -0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.486 -7.332 0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.837 -8.106 -1.013 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.406 -9.517 -0.067 1.00 0.00 H new ATOM 0 HE ARG A 47 0.528 -9.014 -2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.620 -10.451 -1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.606 -11.607 -2.677 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.515 -10.501 -3.960 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.856 -11.635 -4.155 1.00 0.00 H new ATOM 725 N VAL A 48 -1.763 -10.226 2.608 1.00 0.00 N ATOM 726 CA VAL A 48 -2.831 -11.130 3.019 1.00 0.00 C ATOM 727 C VAL A 48 -3.690 -10.505 4.111 1.00 0.00 C ATOM 728 O VAL A 48 -4.912 -10.429 3.987 1.00 0.00 O ATOM 729 CB VAL A 48 -2.267 -12.470 3.528 1.00 0.00 C ATOM 730 CG1 VAL A 48 -1.114 -12.233 4.491 1.00 0.00 C ATOM 731 CG2 VAL A 48 -3.365 -13.292 4.188 1.00 0.00 C ATOM 0 H VAL A 48 -0.834 -10.646 2.603 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.446 -11.314 2.138 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.886 -13.032 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.729 -13.191 4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.321 -11.687 3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.465 -11.651 5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.950 -14.236 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.777 -12.738 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.155 -13.492 3.464 1.00 0.00 H new ATOM 741 N GLU A 49 -3.043 -10.056 5.182 1.00 0.00 N ATOM 742 CA GLU A 49 -3.748 -9.436 6.297 1.00 0.00 C ATOM 743 C GLU A 49 -4.675 -8.327 5.806 1.00 0.00 C ATOM 744 O GLU A 49 -5.896 -8.414 5.943 1.00 0.00 O ATOM 745 CB GLU A 49 -2.752 -8.871 7.310 1.00 0.00 C ATOM 746 CG GLU A 49 -2.006 -9.940 8.092 1.00 0.00 C ATOM 747 CD GLU A 49 -2.779 -10.419 9.306 1.00 0.00 C ATOM 748 OE1 GLU A 49 -3.613 -9.646 9.821 1.00 0.00 O ATOM 749 OE2 GLU A 49 -2.551 -11.568 9.739 1.00 0.00 O ATOM 0 H GLU A 49 -2.031 -10.110 5.301 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.352 -10.203 6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.029 -8.245 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.284 -8.226 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.802 -10.788 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.042 -9.545 8.412 1.00 0.00 H new ATOM 756 N THR A 50 -4.086 -7.283 5.232 1.00 0.00 N ATOM 757 CA THR A 50 -4.856 -6.155 4.722 1.00 0.00 C ATOM 758 C THR A 50 -5.618 -6.538 3.458 1.00 0.00 C ATOM 759 O THR A 50 -6.405 -5.749 2.932 1.00 0.00 O ATOM 760 CB THR A 50 -3.950 -4.948 4.416 1.00 0.00 C ATOM 761 OG1 THR A 50 -3.052 -5.267 3.348 1.00 0.00 O ATOM 762 CG2 THR A 50 -3.156 -4.542 5.648 1.00 0.00 C ATOM 0 H THR A 50 -3.077 -7.195 5.108 1.00 0.00 H new ATOM 0 HA THR A 50 -5.565 -5.878 5.502 1.00 0.00 H new ATOM 0 HB THR A 50 -4.584 -4.112 4.119 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.491 -6.028 3.608 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.523 -3.688 5.408 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.842 -4.271 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.532 -5.376 5.970 1.00 0.00 H new ATOM 770 N LYS A 51 -5.380 -7.751 2.973 1.00 0.00 N ATOM 771 CA LYS A 51 -6.046 -8.239 1.772 1.00 0.00 C ATOM 772 C LYS A 51 -5.743 -7.340 0.578 1.00 0.00 C ATOM 773 O LYS A 51 -6.644 -6.961 -0.170 1.00 0.00 O ATOM 774 CB LYS A 51 -7.557 -8.317 1.996 1.00 0.00 C ATOM 775 CG LYS A 51 -7.962 -9.304 3.077 1.00 0.00 C ATOM 776 CD LYS A 51 -7.739 -10.740 2.634 1.00 0.00 C ATOM 777 CE LYS A 51 -8.742 -11.156 1.568 1.00 0.00 C ATOM 778 NZ LYS A 51 -8.943 -12.631 1.542 1.00 0.00 N ATOM 0 H LYS A 51 -4.730 -8.415 3.394 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.666 -9.238 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.928 -7.327 2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.040 -8.597 1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.388 -9.109 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.013 -9.159 3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.727 -10.849 2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.823 -11.405 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.696 -10.663 1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.395 -10.819 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.633 -12.874 0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.038 -13.101 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.299 -12.949 2.466 1.00 0.00 H new ATOM 792 N LEU A 52 -4.470 -7.001 0.406 1.00 0.00 N ATOM 793 CA LEU A 52 -4.048 -6.147 -0.699 1.00 0.00 C ATOM 794 C LEU A 52 -2.884 -6.773 -1.459 1.00 0.00 C ATOM 795 O LEU A 52 -2.318 -7.778 -1.029 1.00 0.00 O ATOM 796 CB LEU A 52 -3.648 -4.766 -0.177 1.00 0.00 C ATOM 797 CG LEU A 52 -4.706 -4.025 0.642 1.00 0.00 C ATOM 798 CD1 LEU A 52 -4.065 -2.914 1.461 1.00 0.00 C ATOM 799 CD2 LEU A 52 -5.787 -3.463 -0.268 1.00 0.00 C ATOM 0 H LEU A 52 -3.712 -7.304 1.018 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.889 -6.041 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.754 -4.877 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.375 -4.143 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.169 -4.734 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.833 -2.398 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.328 -3.342 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.575 -2.206 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.531 -2.939 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.339 -2.768 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.266 -4.278 -0.810 1.00 0.00 H new ATOM 811 N SER A 53 -2.531 -6.173 -2.591 1.00 0.00 N ATOM 812 CA SER A 53 -1.434 -6.673 -3.412 1.00 0.00 C ATOM 813 C SER A 53 -0.161 -5.871 -3.164 1.00 0.00 C ATOM 814 O SER A 53 -0.199 -4.788 -2.579 1.00 0.00 O ATOM 815 CB SER A 53 -1.810 -6.611 -4.894 1.00 0.00 C ATOM 816 OG SER A 53 -2.917 -7.450 -5.175 1.00 0.00 O ATOM 0 H SER A 53 -2.989 -5.340 -2.961 1.00 0.00 H new ATOM 0 HA SER A 53 -1.248 -7.711 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.049 -5.584 -5.169 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.957 -6.913 -5.502 1.00 0.00 H new ATOM 0 HG SER A 53 -3.138 -7.391 -6.128 1.00 0.00 H new ATOM 822 N ARG A 54 0.968 -6.409 -3.616 1.00 0.00 N ATOM 823 CA ARG A 54 2.254 -5.745 -3.444 1.00 0.00 C ATOM 824 C ARG A 54 2.182 -4.294 -3.910 1.00 0.00 C ATOM 825 O ARG A 54 2.668 -3.389 -3.230 1.00 0.00 O ATOM 826 CB ARG A 54 3.343 -6.488 -4.219 1.00 0.00 C ATOM 827 CG ARG A 54 3.867 -7.721 -3.502 1.00 0.00 C ATOM 828 CD ARG A 54 4.850 -7.349 -2.401 1.00 0.00 C ATOM 829 NE ARG A 54 6.223 -7.278 -2.895 1.00 0.00 N ATOM 830 CZ ARG A 54 7.016 -8.338 -3.013 1.00 0.00 C ATOM 831 NH1 ARG A 54 6.574 -9.542 -2.678 1.00 0.00 N ATOM 832 NH2 ARG A 54 8.253 -8.193 -3.469 1.00 0.00 N ATOM 0 H ARG A 54 1.017 -7.303 -4.104 1.00 0.00 H new ATOM 0 HA ARG A 54 2.502 -5.756 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.948 -6.784 -5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.173 -5.807 -4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.033 -8.277 -3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.355 -8.381 -4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.568 -6.387 -1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.791 -8.084 -1.598 1.00 0.00 H new ATOM 0 HE ARG A 54 6.593 -6.366 -3.164 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.623 -9.657 -2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.185 -10.353 -2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.596 -7.268 -3.729 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.862 -9.006 -3.560 1.00 0.00 H new ATOM 846 N ARG A 55 1.573 -4.079 -5.071 1.00 0.00 N ATOM 847 CA ARG A 55 1.442 -2.737 -5.628 1.00 0.00 C ATOM 848 C ARG A 55 0.597 -1.852 -4.716 1.00 0.00 C ATOM 849 O ARG A 55 1.025 -0.767 -4.322 1.00 0.00 O ATOM 850 CB ARG A 55 0.813 -2.801 -7.021 1.00 0.00 C ATOM 851 CG ARG A 55 0.434 -1.439 -7.580 1.00 0.00 C ATOM 852 CD ARG A 55 1.601 -0.789 -8.304 1.00 0.00 C ATOM 853 NE ARG A 55 1.256 0.530 -8.826 1.00 0.00 N ATOM 854 CZ ARG A 55 0.556 0.720 -9.940 1.00 0.00 C ATOM 855 NH1 ARG A 55 0.127 -0.319 -10.643 1.00 0.00 N ATOM 856 NH2 ARG A 55 0.281 1.952 -10.350 1.00 0.00 N ATOM 0 H ARG A 55 1.162 -4.816 -5.644 1.00 0.00 H new ATOM 0 HA ARG A 55 2.438 -2.302 -5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.512 -3.283 -7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.077 -3.428 -6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.406 -1.547 -8.266 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.102 -0.791 -6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.446 -0.699 -7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.921 -1.431 -9.125 1.00 0.00 H new ATOM 0 HE ARG A 55 1.569 1.351 -8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.334 -1.267 -10.329 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.410 -0.170 -11.497 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.607 2.754 -9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.256 2.097 -11.205 1.00 0.00 H new ATOM 870 N GLU A 56 -0.601 -2.322 -4.387 1.00 0.00 N ATOM 871 CA GLU A 56 -1.505 -1.571 -3.524 1.00 0.00 C ATOM 872 C GLU A 56 -0.757 -0.996 -2.324 1.00 0.00 C ATOM 873 O GLU A 56 -0.985 0.149 -1.929 1.00 0.00 O ATOM 874 CB GLU A 56 -2.648 -2.467 -3.044 1.00 0.00 C ATOM 875 CG GLU A 56 -3.541 -2.967 -4.166 1.00 0.00 C ATOM 876 CD GLU A 56 -4.618 -1.969 -4.545 1.00 0.00 C ATOM 877 OE1 GLU A 56 -5.399 -1.570 -3.655 1.00 0.00 O ATOM 878 OE2 GLU A 56 -4.679 -1.584 -5.732 1.00 0.00 O ATOM 0 H GLU A 56 -0.969 -3.219 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.919 -0.745 -4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.230 -3.323 -2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.255 -1.915 -2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.930 -3.186 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.009 -3.903 -3.862 1.00 0.00 H new ATOM 885 N ILE A 57 0.133 -1.795 -1.750 1.00 0.00 N ATOM 886 CA ILE A 57 0.914 -1.365 -0.596 1.00 0.00 C ATOM 887 C ILE A 57 2.063 -0.456 -1.018 1.00 0.00 C ATOM 888 O ILE A 57 2.282 0.600 -0.424 1.00 0.00 O ATOM 889 CB ILE A 57 1.485 -2.569 0.178 1.00 0.00 C ATOM 890 CG1 ILE A 57 0.350 -3.449 0.703 1.00 0.00 C ATOM 891 CG2 ILE A 57 2.366 -2.093 1.323 1.00 0.00 C ATOM 892 CD1 ILE A 57 0.819 -4.787 1.235 1.00 0.00 C ATOM 0 H ILE A 57 0.333 -2.745 -2.064 1.00 0.00 H new ATOM 0 HA ILE A 57 0.237 -0.813 0.055 1.00 0.00 H new ATOM 0 HB ILE A 57 2.096 -3.163 -0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.175 -2.916 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.369 -3.618 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.762 -2.955 1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.192 -1.503 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.777 -1.480 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.039 -5.358 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.319 -5.340 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.515 -4.627 2.058 1.00 0.00 H new ATOM 904 N ASP A 58 2.792 -0.871 -2.048 1.00 0.00 N ATOM 905 CA ASP A 58 3.917 -0.092 -2.553 1.00 0.00 C ATOM 906 C ASP A 58 3.554 1.386 -2.648 1.00 0.00 C ATOM 907 O ASP A 58 4.340 2.254 -2.266 1.00 0.00 O ATOM 908 CB ASP A 58 4.351 -0.613 -3.922 1.00 0.00 C ATOM 909 CG ASP A 58 5.409 -1.695 -3.823 1.00 0.00 C ATOM 910 OD1 ASP A 58 6.125 -1.732 -2.801 1.00 0.00 O ATOM 911 OD2 ASP A 58 5.520 -2.505 -4.767 1.00 0.00 O ATOM 0 H ASP A 58 2.624 -1.743 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 58 4.746 -0.200 -1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.482 -1.006 -4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.737 0.215 -4.517 1.00 0.00 H new ATOM 916 N SER A 59 2.361 1.666 -3.162 1.00 0.00 N ATOM 917 CA SER A 59 1.897 3.041 -3.312 1.00 0.00 C ATOM 918 C SER A 59 1.724 3.708 -1.951 1.00 0.00 C ATOM 919 O SER A 59 2.214 4.814 -1.723 1.00 0.00 O ATOM 920 CB SER A 59 0.573 3.072 -4.080 1.00 0.00 C ATOM 921 OG SER A 59 0.670 2.346 -5.292 1.00 0.00 O ATOM 0 H SER A 59 1.698 0.960 -3.482 1.00 0.00 H new ATOM 0 HA SER A 59 2.650 3.594 -3.874 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.219 2.650 -3.462 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.296 4.105 -4.292 1.00 0.00 H new ATOM 0 HG SER A 59 -0.189 2.379 -5.763 1.00 0.00 H new ATOM 927 N TRP A 60 1.025 3.027 -1.049 1.00 0.00 N ATOM 928 CA TRP A 60 0.787 3.554 0.290 1.00 0.00 C ATOM 929 C TRP A 60 2.103 3.870 0.991 1.00 0.00 C ATOM 930 O TRP A 60 2.247 4.921 1.616 1.00 0.00 O ATOM 931 CB TRP A 60 -0.019 2.551 1.118 1.00 0.00 C ATOM 932 CG TRP A 60 -0.491 3.107 2.427 1.00 0.00 C ATOM 933 CD1 TRP A 60 -1.722 3.634 2.697 1.00 0.00 C ATOM 934 CD2 TRP A 60 0.259 3.191 3.643 1.00 0.00 C ATOM 935 NE1 TRP A 60 -1.781 4.041 4.009 1.00 0.00 N ATOM 936 CE2 TRP A 60 -0.578 3.780 4.610 1.00 0.00 C ATOM 937 CE3 TRP A 60 1.557 2.825 4.010 1.00 0.00 C ATOM 938 CZ2 TRP A 60 -0.159 4.011 5.918 1.00 0.00 C ATOM 939 CZ3 TRP A 60 1.972 3.055 5.308 1.00 0.00 C ATOM 940 CH2 TRP A 60 1.117 3.643 6.250 1.00 0.00 C ATOM 0 H TRP A 60 0.614 2.110 -1.221 1.00 0.00 H new ATOM 0 HA TRP A 60 0.217 4.478 0.195 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.882 2.222 0.539 1.00 0.00 H new ATOM 0 HB3 TRP A 60 0.594 1.669 1.305 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -2.530 3.718 1.985 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.589 4.468 4.461 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.224 2.371 3.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.817 4.464 6.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.973 2.777 5.602 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.471 3.809 7.257 1.00 0.00 H new ATOM 951 N PHE A 61 3.061 2.954 0.885 1.00 0.00 N ATOM 952 CA PHE A 61 4.365 3.138 1.511 1.00 0.00 C ATOM 953 C PHE A 61 5.157 4.236 0.808 1.00 0.00 C ATOM 954 O PHE A 61 5.510 5.247 1.415 1.00 0.00 O ATOM 955 CB PHE A 61 5.155 1.828 1.483 1.00 0.00 C ATOM 956 CG PHE A 61 4.862 0.926 2.648 1.00 0.00 C ATOM 957 CD1 PHE A 61 3.585 0.421 2.846 1.00 0.00 C ATOM 958 CD2 PHE A 61 5.860 0.582 3.545 1.00 0.00 C ATOM 959 CE1 PHE A 61 3.312 -0.409 3.917 1.00 0.00 C ATOM 960 CE2 PHE A 61 5.592 -0.247 4.617 1.00 0.00 C ATOM 961 CZ PHE A 61 4.316 -0.744 4.803 1.00 0.00 C ATOM 0 H PHE A 61 2.959 2.078 0.372 1.00 0.00 H new ATOM 0 HA PHE A 61 4.204 3.437 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.931 1.297 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.221 2.056 1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.796 0.679 2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.859 0.966 3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.314 -0.795 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.379 -0.507 5.309 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.105 -1.393 5.640 1.00 0.00 H new ATOM 971 N SER A 62 5.432 4.030 -0.475 1.00 0.00 N ATOM 972 CA SER A 62 6.185 5.000 -1.262 1.00 0.00 C ATOM 973 C SER A 62 5.740 6.423 -0.939 1.00 0.00 C ATOM 974 O SER A 62 6.565 7.325 -0.792 1.00 0.00 O ATOM 975 CB SER A 62 6.008 4.726 -2.756 1.00 0.00 C ATOM 976 OG SER A 62 6.839 3.657 -3.180 1.00 0.00 O ATOM 0 H SER A 62 5.145 3.199 -0.993 1.00 0.00 H new ATOM 0 HA SER A 62 7.239 4.899 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.965 4.485 -2.964 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.247 5.625 -3.325 1.00 0.00 H new ATOM 0 HG SER A 62 6.369 2.807 -3.052 1.00 0.00 H new ATOM 982 N GLU A 63 4.430 6.617 -0.830 1.00 0.00 N ATOM 983 CA GLU A 63 3.874 7.930 -0.525 1.00 0.00 C ATOM 984 C GLU A 63 4.111 8.295 0.938 1.00 0.00 C ATOM 985 O GLU A 63 4.591 9.385 1.246 1.00 0.00 O ATOM 986 CB GLU A 63 2.376 7.960 -0.834 1.00 0.00 C ATOM 987 CG GLU A 63 2.061 8.228 -2.296 1.00 0.00 C ATOM 988 CD GLU A 63 0.740 8.950 -2.485 1.00 0.00 C ATOM 989 OE1 GLU A 63 -0.296 8.265 -2.613 1.00 0.00 O ATOM 990 OE2 GLU A 63 0.745 10.198 -2.506 1.00 0.00 O ATOM 0 H GLU A 63 3.733 5.881 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 63 4.380 8.664 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.935 7.006 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.903 8.728 -0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.862 8.824 -2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.035 7.282 -2.838 1.00 0.00 H new ATOM 997 N ARG A 64 3.768 7.376 1.833 1.00 0.00 N ATOM 998 CA ARG A 64 3.940 7.599 3.263 1.00 0.00 C ATOM 999 C ARG A 64 5.250 8.330 3.546 1.00 0.00 C ATOM 1000 O ARG A 64 5.268 9.353 4.230 1.00 0.00 O ATOM 1001 CB ARG A 64 3.914 6.269 4.018 1.00 0.00 C ATOM 1002 CG ARG A 64 3.579 6.411 5.493 1.00 0.00 C ATOM 1003 CD ARG A 64 2.143 6.864 5.697 1.00 0.00 C ATOM 1004 NE ARG A 64 1.794 6.960 7.113 1.00 0.00 N ATOM 1005 CZ ARG A 64 0.824 7.736 7.581 1.00 0.00 C ATOM 1006 NH1 ARG A 64 0.108 8.481 6.749 1.00 0.00 N ATOM 1007 NH2 ARG A 64 0.567 7.768 8.882 1.00 0.00 N ATOM 0 H ARG A 64 3.369 6.469 1.593 1.00 0.00 H new ATOM 0 HA ARG A 64 3.114 8.220 3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.183 5.610 3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.887 5.787 3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.736 5.457 5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.257 7.129 5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.998 7.834 5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.469 6.164 5.204 1.00 0.00 H new ATOM 0 HE ARG A 64 2.326 6.399 7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.302 8.458 5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.637 9.077 7.110 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.115 7.196 9.524 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.179 8.365 9.240 1.00 0.00 H new ATOM 1021 N ARG A 65 6.345 7.798 3.013 1.00 0.00 N ATOM 1022 CA ARG A 65 7.659 8.397 3.208 1.00 0.00 C ATOM 1023 C ARG A 65 7.630 9.887 2.883 1.00 0.00 C ATOM 1024 O ARG A 65 8.173 10.707 3.623 1.00 0.00 O ATOM 1025 CB ARG A 65 8.700 7.693 2.334 1.00 0.00 C ATOM 1026 CG ARG A 65 8.844 6.210 2.635 1.00 0.00 C ATOM 1027 CD ARG A 65 9.848 5.549 1.704 1.00 0.00 C ATOM 1028 NE ARG A 65 9.414 5.593 0.309 1.00 0.00 N ATOM 1029 CZ ARG A 65 9.632 6.627 -0.496 1.00 0.00 C ATOM 1030 NH1 ARG A 65 10.277 7.696 -0.048 1.00 0.00 N ATOM 1031 NH2 ARG A 65 9.206 6.593 -1.751 1.00 0.00 N ATOM 0 H ARG A 65 6.348 6.953 2.442 1.00 0.00 H new ATOM 0 HA ARG A 65 7.934 8.276 4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.427 7.818 1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.666 8.179 2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.162 6.076 3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.875 5.721 2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.813 6.047 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.994 4.512 2.006 1.00 0.00 H new ATOM 0 HE ARG A 65 8.917 4.786 -0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.607 7.725 0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.443 8.489 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.710 5.772 -2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.374 7.387 -2.368 1.00 0.00 H new ATOM 1045 N LYS A 66 6.994 10.232 1.768 1.00 0.00 N ATOM 1046 CA LYS A 66 6.892 11.624 1.345 1.00 0.00 C ATOM 1047 C LYS A 66 6.469 12.518 2.506 1.00 0.00 C ATOM 1048 O LYS A 66 7.221 13.393 2.934 1.00 0.00 O ATOM 1049 CB LYS A 66 5.891 11.757 0.194 1.00 0.00 C ATOM 1050 CG LYS A 66 6.238 10.905 -1.015 1.00 0.00 C ATOM 1051 CD LYS A 66 5.073 10.816 -1.986 1.00 0.00 C ATOM 1052 CE LYS A 66 5.004 12.039 -2.887 1.00 0.00 C ATOM 1053 NZ LYS A 66 4.563 13.252 -2.142 1.00 0.00 N ATOM 0 H LYS A 66 6.542 9.567 1.141 1.00 0.00 H new ATOM 0 HA LYS A 66 7.876 11.945 1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.900 11.479 0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.838 12.802 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.105 11.328 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.518 9.904 -0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.174 9.918 -2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.141 10.720 -1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.984 12.220 -3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.314 11.846 -3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.980 13.848 -2.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.004 12.966 -1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.397 13.789 -1.829 1.00 0.00 H new ATOM 1067 N LEU A 67 5.262 12.290 3.012 1.00 0.00 N ATOM 1068 CA LEU A 67 4.740 13.074 4.126 1.00 0.00 C ATOM 1069 C LEU A 67 5.693 13.032 5.316 1.00 0.00 C ATOM 1070 O LEU A 67 5.853 14.022 6.031 1.00 0.00 O ATOM 1071 CB LEU A 67 3.363 12.552 4.541 1.00 0.00 C ATOM 1072 CG LEU A 67 3.353 11.485 5.636 1.00 0.00 C ATOM 1073 CD1 LEU A 67 3.235 12.130 7.009 1.00 0.00 C ATOM 1074 CD2 LEU A 67 2.216 10.498 5.409 1.00 0.00 C ATOM 0 H LEU A 67 4.627 11.569 2.669 1.00 0.00 H new ATOM 0 HA LEU A 67 4.646 14.109 3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.763 13.397 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.870 12.144 3.659 1.00 0.00 H new ATOM 0 HG LEU A 67 4.296 10.939 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.229 11.355 7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.082 12.796 7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.309 12.702 7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.224 9.746 6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.264 11.029 5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.344 10.011 4.442 1.00 0.00 H new ATOM 1086 N ARG A 68 6.325 11.881 5.522 1.00 0.00 N ATOM 1087 CA ARG A 68 7.263 11.710 6.624 1.00 0.00 C ATOM 1088 C ARG A 68 8.416 12.704 6.514 1.00 0.00 C ATOM 1089 O ARG A 68 8.767 13.372 7.487 1.00 0.00 O ATOM 1090 CB ARG A 68 7.807 10.280 6.642 1.00 0.00 C ATOM 1091 CG ARG A 68 8.568 9.935 7.912 1.00 0.00 C ATOM 1092 CD ARG A 68 8.800 8.438 8.032 1.00 0.00 C ATOM 1093 NE ARG A 68 9.625 8.102 9.189 1.00 0.00 N ATOM 1094 CZ ARG A 68 9.710 6.880 9.702 1.00 0.00 C ATOM 1095 NH1 ARG A 68 9.025 5.882 9.161 1.00 0.00 N ATOM 1096 NH2 ARG A 68 10.482 6.655 10.758 1.00 0.00 N ATOM 0 H ARG A 68 6.204 11.053 4.939 1.00 0.00 H new ATOM 0 HA ARG A 68 6.730 11.899 7.556 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.977 9.583 6.525 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.465 10.140 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.526 10.454 7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.010 10.289 8.779 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.840 7.928 8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.282 8.072 7.125 1.00 0.00 H new ATOM 0 HE ARG A 68 10.166 8.847 9.628 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.431 6.052 8.349 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.092 4.944 9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.010 7.421 11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.547 5.716 11.152 1.00 0.00 H new ATOM 1110 N ASP A 69 9.001 12.793 5.325 1.00 0.00 N ATOM 1111 CA ASP A 69 10.115 13.704 5.088 1.00 0.00 C ATOM 1112 C ASP A 69 9.649 15.155 5.132 1.00 0.00 C ATOM 1113 O ASP A 69 10.312 16.015 5.713 1.00 0.00 O ATOM 1114 CB ASP A 69 10.767 13.406 3.737 1.00 0.00 C ATOM 1115 CG ASP A 69 12.229 13.809 3.699 1.00 0.00 C ATOM 1116 OD1 ASP A 69 12.631 14.662 4.518 1.00 0.00 O ATOM 1117 OD2 ASP A 69 12.970 13.269 2.850 1.00 0.00 O ATOM 0 H ASP A 69 8.723 12.246 4.510 1.00 0.00 H new ATOM 0 HA ASP A 69 10.850 13.553 5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.681 12.341 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.227 13.934 2.951 1.00 0.00 H new ATOM 1122 N SER A 70 8.504 15.423 4.512 1.00 0.00 N ATOM 1123 CA SER A 70 7.950 16.772 4.476 1.00 0.00 C ATOM 1124 C SER A 70 8.906 17.732 3.774 1.00 0.00 C ATOM 1125 O SER A 70 9.098 18.866 4.213 1.00 0.00 O ATOM 1126 CB SER A 70 7.663 17.266 5.895 1.00 0.00 C ATOM 1127 OG SER A 70 6.588 16.548 6.476 1.00 0.00 O ATOM 0 H SER A 70 7.942 14.723 4.027 1.00 0.00 H new ATOM 0 HA SER A 70 7.016 16.741 3.915 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.555 17.153 6.511 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.424 18.329 5.872 1.00 0.00 H new ATOM 0 HG SER A 70 6.578 15.633 6.125 1.00 0.00 H new ATOM 1133 N MET A 71 9.504 17.269 2.681 1.00 0.00 N ATOM 1134 CA MET A 71 10.439 18.087 1.917 1.00 0.00 C ATOM 1135 C MET A 71 9.714 18.861 0.820 1.00 0.00 C ATOM 1136 O MET A 71 9.923 20.062 0.655 1.00 0.00 O ATOM 1137 CB MET A 71 11.531 17.211 1.303 1.00 0.00 C ATOM 1138 CG MET A 71 12.704 16.957 2.236 1.00 0.00 C ATOM 1139 SD MET A 71 14.167 16.357 1.370 1.00 0.00 S ATOM 1140 CE MET A 71 15.241 15.966 2.747 1.00 0.00 C ATOM 0 H MET A 71 9.358 16.332 2.305 1.00 0.00 H new ATOM 0 HA MET A 71 10.898 18.803 2.599 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.097 16.255 1.011 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.898 17.686 0.393 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.951 17.880 2.761 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.410 16.229 2.992 1.00 0.00 H new ATOM 0 HE1 MET A 71 16.239 15.735 2.376 1.00 0.00 H new ATOM 0 HE2 MET A 71 15.294 16.821 3.422 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.845 15.104 3.284 1.00 0.00 H new ATOM 1150 N GLU A 72 8.865 18.163 0.072 1.00 0.00 N ATOM 1151 CA GLU A 72 8.111 18.786 -1.010 1.00 0.00 C ATOM 1152 C GLU A 72 6.609 18.645 -0.777 1.00 0.00 C ATOM 1153 O GLU A 72 6.175 17.960 0.147 1.00 0.00 O ATOM 1154 CB GLU A 72 8.492 18.157 -2.352 1.00 0.00 C ATOM 1155 CG GLU A 72 7.983 16.736 -2.525 1.00 0.00 C ATOM 1156 CD GLU A 72 8.270 16.178 -3.906 1.00 0.00 C ATOM 1157 OE1 GLU A 72 9.301 16.561 -4.498 1.00 0.00 O ATOM 1158 OE2 GLU A 72 7.465 15.358 -4.394 1.00 0.00 O ATOM 0 H GLU A 72 8.682 17.167 0.195 1.00 0.00 H new ATOM 0 HA GLU A 72 8.360 19.847 -1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.098 18.776 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.578 18.159 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.445 16.095 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.908 16.714 -2.345 1.00 0.00 H new ATOM 1165 N GLN A 73 5.822 19.303 -1.624 1.00 0.00 N ATOM 1166 CA GLN A 73 4.369 19.254 -1.509 1.00 0.00 C ATOM 1167 C GLN A 73 3.731 18.892 -2.846 1.00 0.00 C ATOM 1168 O GLN A 73 4.170 19.353 -3.898 1.00 0.00 O ATOM 1169 CB GLN A 73 3.829 20.598 -1.018 1.00 0.00 C ATOM 1170 CG GLN A 73 2.446 20.506 -0.395 1.00 0.00 C ATOM 1171 CD GLN A 73 1.730 21.843 -0.364 1.00 0.00 C ATOM 1172 OE1 GLN A 73 1.499 22.460 -1.404 1.00 0.00 O ATOM 1173 NE2 GLN A 73 1.373 22.296 0.831 1.00 0.00 N ATOM 0 H GLN A 73 6.166 19.875 -2.395 1.00 0.00 H new ATOM 0 HA GLN A 73 4.112 18.482 -0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.522 21.013 -0.286 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.796 21.295 -1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.846 19.790 -0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.534 20.122 0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.585 21.751 1.667 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.887 23.189 0.914 1.00 0.00 H new ATOM 1182 N ALA A 74 2.692 18.065 -2.795 1.00 0.00 N ATOM 1183 CA ALA A 74 1.991 17.644 -4.002 1.00 0.00 C ATOM 1184 C ALA A 74 1.058 18.740 -4.506 1.00 0.00 C ATOM 1185 O ALA A 74 0.911 19.785 -3.872 1.00 0.00 O ATOM 1186 CB ALA A 74 1.212 16.363 -3.741 1.00 0.00 C ATOM 0 H ALA A 74 2.317 17.673 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 74 2.735 17.452 -4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.694 16.061 -4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.900 15.574 -3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.484 16.535 -2.949 1.00 0.00 H new ATOM 1192 N VAL A 75 0.427 18.493 -5.650 1.00 0.00 N ATOM 1193 CA VAL A 75 -0.494 19.459 -6.240 1.00 0.00 C ATOM 1194 C VAL A 75 -1.848 18.823 -6.528 1.00 0.00 C ATOM 1195 O VAL A 75 -1.927 17.661 -6.931 1.00 0.00 O ATOM 1196 CB VAL A 75 0.072 20.049 -7.544 1.00 0.00 C ATOM 1197 CG1 VAL A 75 1.355 20.821 -7.271 1.00 0.00 C ATOM 1198 CG2 VAL A 75 0.311 18.949 -8.567 1.00 0.00 C ATOM 0 H VAL A 75 0.536 17.633 -6.187 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.621 20.261 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.661 20.744 -7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.739 21.230 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.149 21.635 -6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.097 20.151 -6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.711 19.384 -9.483 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.024 18.228 -8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.630 18.445 -8.786 1.00 0.00 H new ATOM 1208 N LEU A 76 -2.912 19.589 -6.319 1.00 0.00 N ATOM 1209 CA LEU A 76 -4.267 19.100 -6.557 1.00 0.00 C ATOM 1210 C LEU A 76 -4.393 18.510 -7.958 1.00 0.00 C ATOM 1211 O LEU A 76 -3.617 18.839 -8.855 1.00 0.00 O ATOM 1212 CB LEU A 76 -5.278 20.232 -6.375 1.00 0.00 C ATOM 1213 CG LEU A 76 -5.455 21.172 -7.568 1.00 0.00 C ATOM 1214 CD1 LEU A 76 -6.867 21.740 -7.595 1.00 0.00 C ATOM 1215 CD2 LEU A 76 -4.429 22.295 -7.521 1.00 0.00 C ATOM 0 H LEU A 76 -2.864 20.552 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.477 18.314 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.247 19.792 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.977 20.826 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.296 20.600 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.975 22.407 -8.451 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.586 20.925 -7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.053 22.296 -6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.571 22.953 -8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.555 22.865 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.425 21.872 -7.551 1.00 0.00 H new ATOM 1227 N ASP A 77 -5.379 17.638 -8.138 1.00 0.00 N ATOM 1228 CA ASP A 77 -5.610 17.003 -9.431 1.00 0.00 C ATOM 1229 C ASP A 77 -4.393 16.190 -9.864 1.00 0.00 C ATOM 1230 O ASP A 77 -4.006 16.207 -11.032 1.00 0.00 O ATOM 1231 CB ASP A 77 -5.936 18.057 -10.491 1.00 0.00 C ATOM 1232 CG ASP A 77 -6.587 17.460 -11.721 1.00 0.00 C ATOM 1233 OD1 ASP A 77 -7.227 16.395 -11.596 1.00 0.00 O ATOM 1234 OD2 ASP A 77 -6.457 18.057 -12.810 1.00 0.00 O ATOM 0 H ASP A 77 -6.031 17.355 -7.406 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.459 16.327 -9.328 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.599 18.807 -10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.020 18.571 -10.782 1.00 0.00 H new ATOM 1239 N SER A 78 -3.795 15.479 -8.913 1.00 0.00 N ATOM 1240 CA SER A 78 -2.620 14.663 -9.195 1.00 0.00 C ATOM 1241 C SER A 78 -3.000 13.415 -9.986 1.00 0.00 C ATOM 1242 O SER A 78 -4.149 12.974 -9.953 1.00 0.00 O ATOM 1243 CB SER A 78 -1.927 14.263 -7.891 1.00 0.00 C ATOM 1244 OG SER A 78 -0.886 13.332 -8.131 1.00 0.00 O ATOM 0 H SER A 78 -4.105 15.452 -7.942 1.00 0.00 H new ATOM 0 HA SER A 78 -1.932 15.257 -9.797 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.521 15.150 -7.405 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.656 13.830 -7.206 1.00 0.00 H new ATOM 0 HG SER A 78 -0.458 13.094 -7.282 1.00 0.00 H new ATOM 1250 N MET A 79 -2.028 12.852 -10.695 1.00 0.00 N ATOM 1251 CA MET A 79 -2.260 11.654 -11.493 1.00 0.00 C ATOM 1252 C MET A 79 -2.291 10.411 -10.611 1.00 0.00 C ATOM 1253 O MET A 79 -1.507 10.284 -9.671 1.00 0.00 O ATOM 1254 CB MET A 79 -1.175 11.509 -12.561 1.00 0.00 C ATOM 1255 CG MET A 79 0.199 11.199 -11.994 1.00 0.00 C ATOM 1256 SD MET A 79 1.333 10.547 -13.234 1.00 0.00 S ATOM 1257 CE MET A 79 1.464 8.839 -12.710 1.00 0.00 C ATOM 0 H MET A 79 -1.072 13.206 -10.733 1.00 0.00 H new ATOM 0 HA MET A 79 -3.229 11.755 -11.981 1.00 0.00 H new ATOM 0 HB2 MET A 79 -1.461 10.716 -13.252 1.00 0.00 H new ATOM 0 HB3 MET A 79 -1.121 12.431 -13.139 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.622 12.106 -11.562 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.099 10.477 -11.184 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.134 8.303 -13.382 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.859 8.799 -11.695 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.478 8.374 -12.734 1.00 0.00 H new ATOM 1267 N GLY A 80 -3.204 9.494 -10.919 1.00 0.00 N ATOM 1268 CA GLY A 80 -3.320 8.272 -10.144 1.00 0.00 C ATOM 1269 C GLY A 80 -4.610 8.208 -9.350 1.00 0.00 C ATOM 1270 O GLY A 80 -4.606 8.385 -8.133 1.00 0.00 O ATOM 0 H GLY A 80 -3.865 9.576 -11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.267 7.414 -10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.473 8.196 -9.462 1.00 0.00 H new ATOM 1274 N SER A 81 -5.716 7.958 -10.043 1.00 0.00 N ATOM 1275 CA SER A 81 -7.020 7.878 -9.396 1.00 0.00 C ATOM 1276 C SER A 81 -7.627 6.488 -9.567 1.00 0.00 C ATOM 1277 O SER A 81 -7.450 5.845 -10.599 1.00 0.00 O ATOM 1278 CB SER A 81 -7.966 8.934 -9.973 1.00 0.00 C ATOM 1279 OG SER A 81 -9.272 8.793 -9.444 1.00 0.00 O ATOM 0 H SER A 81 -5.735 7.807 -11.052 1.00 0.00 H new ATOM 0 HA SER A 81 -6.882 8.067 -8.332 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.585 9.930 -9.748 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.998 8.843 -11.059 1.00 0.00 H new ATOM 0 HG SER A 81 -9.856 9.480 -9.827 1.00 0.00 H new ATOM 1285 N GLY A 82 -8.344 6.034 -8.544 1.00 0.00 N ATOM 1286 CA GLY A 82 -8.968 4.724 -8.599 1.00 0.00 C ATOM 1287 C GLY A 82 -9.983 4.612 -9.719 1.00 0.00 C ATOM 1288 O GLY A 82 -10.093 5.504 -10.560 1.00 0.00 O ATOM 0 H GLY A 82 -8.504 6.549 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.198 3.964 -8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.458 4.518 -7.647 1.00 0.00 H new ATOM 1292 N LYS A 83 -10.728 3.512 -9.732 1.00 0.00 N ATOM 1293 CA LYS A 83 -11.741 3.284 -10.756 1.00 0.00 C ATOM 1294 C LYS A 83 -13.090 3.850 -10.322 1.00 0.00 C ATOM 1295 O LYS A 83 -13.359 3.995 -9.131 1.00 0.00 O ATOM 1296 CB LYS A 83 -11.874 1.788 -11.048 1.00 0.00 C ATOM 1297 CG LYS A 83 -10.824 1.260 -12.011 1.00 0.00 C ATOM 1298 CD LYS A 83 -11.072 1.749 -13.429 1.00 0.00 C ATOM 1299 CE LYS A 83 -10.229 0.984 -14.437 1.00 0.00 C ATOM 1300 NZ LYS A 83 -10.703 -0.420 -14.602 1.00 0.00 N ATOM 0 H LYS A 83 -10.649 2.763 -9.044 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.426 3.798 -11.664 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.805 1.236 -10.111 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.864 1.594 -11.461 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.835 1.579 -11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.829 0.170 -11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.128 1.635 -13.675 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.843 2.813 -13.494 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.261 1.494 -15.400 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.188 0.981 -14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.283 -0.829 -15.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.417 -0.982 -13.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.740 -0.429 -14.685 1.00 0.00 H new ATOM 1314 N SER A 84 -13.934 4.166 -11.299 1.00 0.00 N ATOM 1315 CA SER A 84 -15.254 4.718 -11.018 1.00 0.00 C ATOM 1316 C SER A 84 -16.257 3.605 -10.723 1.00 0.00 C ATOM 1317 O SER A 84 -16.543 2.769 -11.579 1.00 0.00 O ATOM 1318 CB SER A 84 -15.741 5.558 -12.201 1.00 0.00 C ATOM 1319 OG SER A 84 -16.847 6.364 -11.831 1.00 0.00 O ATOM 0 H SER A 84 -13.728 4.049 -12.291 1.00 0.00 H new ATOM 0 HA SER A 84 -15.174 5.355 -10.137 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.930 6.191 -12.561 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.024 4.903 -13.025 1.00 0.00 H new ATOM 0 HG SER A 84 -17.139 6.893 -12.603 1.00 0.00 H new ATOM 1325 N GLY A 85 -16.788 3.604 -9.504 1.00 0.00 N ATOM 1326 CA GLY A 85 -17.752 2.591 -9.117 1.00 0.00 C ATOM 1327 C GLY A 85 -19.179 3.098 -9.173 1.00 0.00 C ATOM 1328 O GLY A 85 -19.669 3.521 -10.220 1.00 0.00 O ATOM 0 H GLY A 85 -16.568 4.286 -8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.650 1.727 -9.774 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.530 2.250 -8.106 1.00 0.00 H new ATOM 1332 N PRO A 86 -19.872 3.055 -8.026 1.00 0.00 N ATOM 1333 CA PRO A 86 -21.263 3.508 -7.923 1.00 0.00 C ATOM 1334 C PRO A 86 -21.390 5.021 -8.057 1.00 0.00 C ATOM 1335 O PRO A 86 -20.468 5.764 -7.721 1.00 0.00 O ATOM 1336 CB PRO A 86 -21.679 3.060 -6.520 1.00 0.00 C ATOM 1337 CG PRO A 86 -20.404 2.983 -5.751 1.00 0.00 C ATOM 1338 CD PRO A 86 -19.352 2.561 -6.739 1.00 0.00 C ATOM 0 HA PRO A 86 -21.885 3.098 -8.718 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -22.372 3.770 -6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -22.184 2.094 -6.547 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -20.158 3.947 -5.306 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -20.483 2.266 -4.934 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -18.382 2.998 -6.504 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -19.220 1.479 -6.748 1.00 0.00 H new ATOM 1346 N SER A 87 -22.539 5.471 -8.552 1.00 0.00 N ATOM 1347 CA SER A 87 -22.786 6.897 -8.734 1.00 0.00 C ATOM 1348 C SER A 87 -24.028 7.337 -7.966 1.00 0.00 C ATOM 1349 O SER A 87 -25.156 7.072 -8.384 1.00 0.00 O ATOM 1350 CB SER A 87 -22.950 7.221 -10.220 1.00 0.00 C ATOM 1351 OG SER A 87 -21.691 7.398 -10.846 1.00 0.00 O ATOM 0 H SER A 87 -23.313 4.869 -8.834 1.00 0.00 H new ATOM 0 HA SER A 87 -21.927 7.442 -8.342 1.00 0.00 H new ATOM 0 HB2 SER A 87 -23.495 6.416 -10.713 1.00 0.00 H new ATOM 0 HB3 SER A 87 -23.547 8.126 -10.334 1.00 0.00 H new ATOM 0 HG SER A 87 -21.824 7.602 -11.795 1.00 0.00 H new ATOM 1357 N SER A 88 -23.813 8.010 -6.841 1.00 0.00 N ATOM 1358 CA SER A 88 -24.914 8.483 -6.011 1.00 0.00 C ATOM 1359 C SER A 88 -24.826 9.992 -5.798 1.00 0.00 C ATOM 1360 O SER A 88 -23.741 10.571 -5.829 1.00 0.00 O ATOM 1361 CB SER A 88 -24.907 7.765 -4.659 1.00 0.00 C ATOM 1362 OG SER A 88 -23.637 7.860 -4.037 1.00 0.00 O ATOM 0 H SER A 88 -22.886 8.240 -6.483 1.00 0.00 H new ATOM 0 HA SER A 88 -25.847 8.260 -6.528 1.00 0.00 H new ATOM 0 HB2 SER A 88 -25.667 8.199 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 88 -25.169 6.716 -4.799 1.00 0.00 H new ATOM 0 HG SER A 88 -23.660 7.395 -3.175 1.00 0.00 H new ATOM 1368 N GLY A 89 -25.976 10.621 -5.582 1.00 0.00 N ATOM 1369 CA GLY A 89 -26.007 12.056 -5.368 1.00 0.00 C ATOM 1370 C GLY A 89 -27.404 12.631 -5.491 1.00 0.00 C ATOM 1371 O GLY A 89 -27.692 13.390 -6.417 1.00 0.00 O ATOM 0 H GLY A 89 -26.887 10.163 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -25.611 12.281 -4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -25.352 12.542 -6.091 1.00 0.00 H new TER 1375 GLY A 89