USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 520 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 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 15 LYS NZ :NH3+ 165:sc=-0.00647 (180deg=-0.105) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -172:sc= -0.161 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.26) USER MOD Single : A 32 SER OG : rot -71:sc= 0.701 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= -0.0117 (180deg=-0.146) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.635 K(o=-0.63,f=-4) USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= 0.74 (180deg=0.639) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 -0.657 0.164 -2.997 1.00 14.31 N ATOM 2 CA TYR A 6 -0.021 -0.802 -2.110 1.00 5.44 C ATOM 3 C TYR A 6 0.091 -2.167 -2.781 1.00 31.12 C ATOM 4 O TYR A 6 -0.455 -3.156 -2.293 1.00 75.23 O ATOM 5 CB TYR A 6 -0.810 -0.925 -0.805 1.00 63.11 C ATOM 6 CG TYR A 6 -2.227 -0.409 -0.904 1.00 14.31 C ATOM 7 CD1 TYR A 6 -3.220 -1.160 -1.520 1.00 33.20 C ATOM 8 CD2 TYR A 6 -2.574 0.831 -0.380 1.00 30.30 C ATOM 9 CE1 TYR A 6 -4.516 -0.692 -1.613 1.00 55.11 C ATOM 10 CE2 TYR A 6 -3.868 1.306 -0.467 1.00 51.52 C ATOM 11 CZ TYR A 6 -4.836 0.542 -1.085 1.00 65.20 C ATOM 12 OH TYR A 6 -6.126 1.011 -1.174 1.00 40.25 O ATOM 0 HA TYR A 6 0.984 -0.444 -1.886 1.00 5.44 H new ATOM 0 HB2 TYR A 6 -0.834 -1.972 -0.502 1.00 63.11 H new ATOM 0 HB3 TYR A 6 -0.287 -0.378 -0.021 1.00 63.11 H new ATOM 0 HD1 TYR A 6 -2.974 -2.127 -1.934 1.00 33.20 H new ATOM 0 HD2 TYR A 6 -1.819 1.433 0.103 1.00 30.30 H new ATOM 0 HE1 TYR A 6 -5.275 -1.289 -2.097 1.00 55.11 H new ATOM 0 HE2 TYR A 6 -4.121 2.271 -0.053 1.00 51.52 H new ATOM 0 HH TYR A 6 -6.183 1.894 -0.752 1.00 40.25 H new ATOM 22 N GLN A 7 0.803 -2.212 -3.902 1.00 4.30 N ATOM 23 CA GLN A 7 0.987 -3.455 -4.641 1.00 21.22 C ATOM 24 C GLN A 7 1.321 -4.605 -3.696 1.00 73.34 C ATOM 25 O GLN A 7 1.436 -4.414 -2.486 1.00 4.22 O ATOM 26 CB GLN A 7 2.097 -3.296 -5.681 1.00 50.33 C ATOM 27 CG GLN A 7 1.753 -2.318 -6.793 1.00 12.51 C ATOM 28 CD GLN A 7 2.980 -1.806 -7.521 1.00 3.23 C ATOM 29 OE1 GLN A 7 3.756 -1.020 -6.976 1.00 64.14 O ATOM 30 NE2 GLN A 7 3.163 -2.250 -8.759 1.00 13.12 N ATOM 0 H GLN A 7 1.262 -1.402 -4.318 1.00 4.30 H new ATOM 0 HA GLN A 7 0.052 -3.687 -5.151 1.00 21.22 H new ATOM 0 HB2 GLN A 7 3.006 -2.961 -5.182 1.00 50.33 H new ATOM 0 HB3 GLN A 7 2.315 -4.270 -6.119 1.00 50.33 H new ATOM 0 HG2 GLN A 7 1.089 -2.805 -7.507 1.00 12.51 H new ATOM 0 HG3 GLN A 7 1.206 -1.474 -6.373 1.00 12.51 H new ATOM 0 HE21 GLN A 7 2.495 -2.901 -9.171 1.00 13.12 H new ATOM 0 HE22 GLN A 7 3.972 -1.940 -9.298 1.00 13.12 H new ATOM 39 N ASP A 8 1.473 -5.800 -4.258 1.00 5.43 N ATOM 40 CA ASP A 8 1.795 -6.981 -3.466 1.00 35.24 C ATOM 41 C ASP A 8 2.763 -6.634 -2.339 1.00 52.32 C ATOM 42 O ASP A 8 2.705 -7.217 -1.257 1.00 63.32 O ATOM 43 CB ASP A 8 2.397 -8.070 -4.355 1.00 42.43 C ATOM 44 CG ASP A 8 1.460 -8.492 -5.469 1.00 54.45 C ATOM 45 OD1 ASP A 8 1.480 -7.847 -6.539 1.00 45.11 O ATOM 46 OD2 ASP A 8 0.706 -9.467 -5.272 1.00 73.02 O ATOM 0 H ASP A 8 1.378 -5.976 -5.258 1.00 5.43 H new ATOM 0 HA ASP A 8 0.871 -7.353 -3.024 1.00 35.24 H new ATOM 0 HB2 ASP A 8 3.330 -7.708 -4.787 1.00 42.43 H new ATOM 0 HB3 ASP A 8 2.644 -8.938 -3.744 1.00 42.43 H new ATOM 51 N GLN A 9 3.651 -5.681 -2.602 1.00 43.13 N ATOM 52 CA GLN A 9 4.633 -5.258 -1.611 1.00 0.42 C ATOM 53 C GLN A 9 3.970 -5.007 -0.260 1.00 72.44 C ATOM 54 O GLN A 9 4.476 -5.431 0.778 1.00 62.32 O ATOM 55 CB GLN A 9 5.352 -3.992 -2.082 1.00 33.13 C ATOM 56 CG GLN A 9 6.206 -4.203 -3.322 1.00 14.04 C ATOM 57 CD GLN A 9 6.812 -2.914 -3.839 1.00 3.54 C ATOM 58 OE1 GLN A 9 6.597 -2.530 -4.989 1.00 21.12 O ATOM 59 NE2 GLN A 9 7.576 -2.236 -2.989 1.00 52.03 N ATOM 0 H GLN A 9 3.711 -5.187 -3.493 1.00 43.13 H new ATOM 0 HA GLN A 9 5.362 -6.060 -1.494 1.00 0.42 H new ATOM 0 HB2 GLN A 9 4.612 -3.219 -2.288 1.00 33.13 H new ATOM 0 HB3 GLN A 9 5.984 -3.621 -1.275 1.00 33.13 H new ATOM 0 HG2 GLN A 9 7.004 -4.909 -3.093 1.00 14.04 H new ATOM 0 HG3 GLN A 9 5.597 -4.654 -4.106 1.00 14.04 H new ATOM 0 HE21 GLN A 9 7.728 -2.591 -2.045 1.00 52.03 H new ATOM 0 HE22 GLN A 9 8.011 -1.361 -3.281 1.00 52.03 H new ATOM 68 N GLU A 10 2.835 -4.316 -0.283 1.00 54.12 N ATOM 69 CA GLU A 10 2.103 -4.009 0.940 1.00 5.45 C ATOM 70 C GLU A 10 1.273 -5.206 1.393 1.00 21.24 C ATOM 71 O GLU A 10 1.055 -5.406 2.588 1.00 70.31 O ATOM 72 CB GLU A 10 1.195 -2.796 0.727 1.00 4.34 C ATOM 73 CG GLU A 10 1.507 -1.632 1.654 1.00 75.21 C ATOM 74 CD GLU A 10 0.378 -1.340 2.623 1.00 33.54 C ATOM 75 OE1 GLU A 10 0.360 -1.951 3.713 1.00 12.40 O ATOM 76 OE2 GLU A 10 -0.487 -0.503 2.293 1.00 75.01 O ATOM 0 H GLU A 10 2.403 -3.958 -1.135 1.00 54.12 H new ATOM 0 HA GLU A 10 2.830 -3.777 1.719 1.00 5.45 H new ATOM 0 HB2 GLU A 10 1.286 -2.461 -0.306 1.00 4.34 H new ATOM 0 HB3 GLU A 10 0.158 -3.099 0.874 1.00 4.34 H new ATOM 0 HG2 GLU A 10 2.415 -1.853 2.215 1.00 75.21 H new ATOM 0 HG3 GLU A 10 1.709 -0.742 1.058 1.00 75.21 H new ATOM 83 N GLN A 11 0.813 -5.998 0.430 1.00 11.11 N ATOM 84 CA GLN A 11 0.006 -7.175 0.730 1.00 55.54 C ATOM 85 C GLN A 11 0.840 -8.244 1.427 1.00 14.24 C ATOM 86 O GLN A 11 0.314 -9.057 2.187 1.00 32.15 O ATOM 87 CB GLN A 11 -0.602 -7.742 -0.554 1.00 74.32 C ATOM 88 CG GLN A 11 -1.562 -6.788 -1.247 1.00 2.02 C ATOM 89 CD GLN A 11 -2.993 -6.957 -0.777 1.00 53.31 C ATOM 90 OE1 GLN A 11 -3.255 -7.083 0.419 1.00 35.34 O ATOM 91 NE2 GLN A 11 -3.929 -6.959 -1.719 1.00 73.10 N ATOM 0 H GLN A 11 0.985 -5.846 -0.564 1.00 11.11 H new ATOM 0 HA GLN A 11 -0.797 -6.872 1.402 1.00 55.54 H new ATOM 0 HB2 GLN A 11 0.202 -8.000 -1.244 1.00 74.32 H new ATOM 0 HB3 GLN A 11 -1.129 -8.667 -0.319 1.00 74.32 H new ATOM 0 HG2 GLN A 11 -1.243 -5.762 -1.065 1.00 2.02 H new ATOM 0 HG3 GLN A 11 -1.516 -6.950 -2.324 1.00 2.02 H new ATOM 0 HE21 GLN A 11 -3.667 -6.852 -2.699 1.00 73.10 H new ATOM 0 HE22 GLN A 11 -4.910 -7.068 -1.463 1.00 73.10 H new ATOM 100 N ARG A 12 2.142 -8.237 1.164 1.00 42.33 N ATOM 101 CA ARG A 12 3.049 -9.207 1.765 1.00 33.23 C ATOM 102 C ARG A 12 3.407 -8.804 3.193 1.00 71.51 C ATOM 103 O ARG A 12 3.183 -9.563 4.137 1.00 62.03 O ATOM 104 CB ARG A 12 4.321 -9.337 0.926 1.00 3.31 C ATOM 105 CG ARG A 12 5.140 -10.576 1.249 1.00 5.53 C ATOM 106 CD ARG A 12 5.986 -11.010 0.062 1.00 12.31 C ATOM 107 NE ARG A 12 6.989 -10.009 -0.291 1.00 1.24 N ATOM 108 CZ ARG A 12 7.888 -10.177 -1.254 1.00 23.32 C ATOM 109 NH1 ARG A 12 7.909 -11.301 -1.957 1.00 32.21 N ATOM 110 NH2 ARG A 12 8.769 -9.220 -1.516 1.00 20.03 N ATOM 0 H ARG A 12 2.593 -7.570 0.538 1.00 42.33 H new ATOM 0 HA ARG A 12 2.542 -10.171 1.794 1.00 33.23 H new ATOM 0 HB2 ARG A 12 4.049 -9.356 -0.129 1.00 3.31 H new ATOM 0 HB3 ARG A 12 4.939 -8.453 1.080 1.00 3.31 H new ATOM 0 HG2 ARG A 12 5.786 -10.374 2.103 1.00 5.53 H new ATOM 0 HG3 ARG A 12 4.474 -11.389 1.539 1.00 5.53 H new ATOM 0 HD2 ARG A 12 6.481 -11.953 0.295 1.00 12.31 H new ATOM 0 HD3 ARG A 12 5.339 -11.193 -0.796 1.00 12.31 H new ATOM 0 HE ARG A 12 7.000 -9.133 0.231 1.00 1.24 H new ATOM 0 HH11 ARG A 12 7.234 -12.039 -1.759 1.00 32.21 H new ATOM 0 HH12 ARG A 12 8.601 -11.427 -2.696 1.00 32.21 H new ATOM 0 HH21 ARG A 12 8.756 -8.354 -0.977 1.00 20.03 H new ATOM 0 HH22 ARG A 12 9.459 -9.351 -2.256 1.00 20.03 H new ATOM 124 N ILE A 13 3.964 -7.607 3.342 1.00 32.43 N ATOM 125 CA ILE A 13 4.352 -7.104 4.654 1.00 20.51 C ATOM 126 C ILE A 13 3.160 -7.072 5.605 1.00 4.40 C ATOM 127 O ILE A 13 3.308 -7.278 6.810 1.00 31.24 O ATOM 128 CB ILE A 13 4.957 -5.692 4.559 1.00 44.52 C ATOM 129 CG1 ILE A 13 4.045 -4.777 3.739 1.00 44.50 C ATOM 130 CG2 ILE A 13 6.348 -5.751 3.944 1.00 73.40 C ATOM 131 CD1 ILE A 13 3.600 -3.540 4.487 1.00 12.24 C ATOM 0 H ILE A 13 4.157 -6.968 2.571 1.00 32.43 H new ATOM 0 HA ILE A 13 5.106 -7.788 5.044 1.00 20.51 H new ATOM 0 HB ILE A 13 5.043 -5.282 5.565 1.00 44.52 H new ATOM 0 HG12 ILE A 13 4.568 -4.475 2.832 1.00 44.50 H new ATOM 0 HG13 ILE A 13 3.165 -5.339 3.427 1.00 44.50 H new ATOM 0 HG21 ILE A 13 6.762 -4.745 3.884 1.00 73.40 H new ATOM 0 HG22 ILE A 13 6.994 -6.373 4.564 1.00 73.40 H new ATOM 0 HG23 ILE A 13 6.285 -6.178 2.943 1.00 73.40 H new ATOM 0 HD11 ILE A 13 2.957 -2.938 3.845 1.00 12.24 H new ATOM 0 HD12 ILE A 13 3.049 -3.834 5.380 1.00 12.24 H new ATOM 0 HD13 ILE A 13 4.474 -2.955 4.776 1.00 12.24 H new ATOM 143 N LEU A 14 1.979 -6.813 5.055 1.00 1.54 N ATOM 144 CA LEU A 14 0.760 -6.755 5.854 1.00 12.42 C ATOM 145 C LEU A 14 0.370 -8.142 6.354 1.00 53.10 C ATOM 146 O LEU A 14 0.067 -8.327 7.533 1.00 41.10 O ATOM 147 CB LEU A 14 -0.383 -6.156 5.033 1.00 55.21 C ATOM 148 CG LEU A 14 -0.421 -4.630 4.947 1.00 5.41 C ATOM 149 CD1 LEU A 14 -1.483 -4.176 3.958 1.00 32.31 C ATOM 150 CD2 LEU A 14 -0.674 -4.024 6.320 1.00 31.30 C ATOM 0 H LEU A 14 1.840 -6.640 4.060 1.00 1.54 H new ATOM 0 HA LEU A 14 0.951 -6.118 6.718 1.00 12.42 H new ATOM 0 HB2 LEU A 14 -0.324 -6.555 4.021 1.00 55.21 H new ATOM 0 HB3 LEU A 14 -1.327 -6.499 5.457 1.00 55.21 H new ATOM 0 HG LEU A 14 0.549 -4.282 4.591 1.00 5.41 H new ATOM 0 HD11 LEU A 14 -1.495 -3.087 3.911 1.00 32.31 H new ATOM 0 HD12 LEU A 14 -1.257 -4.580 2.971 1.00 32.31 H new ATOM 0 HD13 LEU A 14 -2.460 -4.536 4.282 1.00 32.31 H new ATOM 0 HD21 LEU A 14 -0.698 -2.937 6.239 1.00 31.30 H new ATOM 0 HD22 LEU A 14 -1.630 -4.380 6.704 1.00 31.30 H new ATOM 0 HD23 LEU A 14 0.124 -4.320 7.001 1.00 31.30 H new ATOM 162 N LYS A 15 0.381 -9.116 5.450 1.00 50.41 N ATOM 163 CA LYS A 15 0.032 -10.488 5.798 1.00 1.21 C ATOM 164 C LYS A 15 1.111 -11.118 6.674 1.00 54.13 C ATOM 165 O LYS A 15 0.867 -12.114 7.355 1.00 64.20 O ATOM 166 CB LYS A 15 -0.164 -11.323 4.531 1.00 64.30 C ATOM 167 CG LYS A 15 -1.466 -11.032 3.806 1.00 61.14 C ATOM 168 CD LYS A 15 -1.661 -11.958 2.617 1.00 72.31 C ATOM 169 CE LYS A 15 -2.318 -13.266 3.031 1.00 13.12 C ATOM 170 NZ LYS A 15 -3.766 -13.089 3.331 1.00 52.53 N ATOM 0 H LYS A 15 0.628 -8.980 4.470 1.00 50.41 H new ATOM 0 HA LYS A 15 -0.902 -10.468 6.360 1.00 1.21 H new ATOM 0 HB2 LYS A 15 0.669 -11.139 3.852 1.00 64.30 H new ATOM 0 HB3 LYS A 15 -0.133 -12.380 4.794 1.00 64.30 H new ATOM 0 HG2 LYS A 15 -2.301 -11.145 4.497 1.00 61.14 H new ATOM 0 HG3 LYS A 15 -1.471 -9.996 3.466 1.00 61.14 H new ATOM 0 HD2 LYS A 15 -2.276 -11.463 1.866 1.00 72.31 H new ATOM 0 HD3 LYS A 15 -0.696 -12.165 2.154 1.00 72.31 H new ATOM 0 HE2 LYS A 15 -2.199 -14.000 2.234 1.00 13.12 H new ATOM 0 HE3 LYS A 15 -1.811 -13.665 3.910 1.00 13.12 H new ATOM 0 HZ1 LYS A 15 -4.231 -14.019 3.359 1.00 52.53 H new ATOM 0 HZ2 LYS A 15 -3.875 -12.619 4.252 1.00 52.53 H new ATOM 0 HZ3 LYS A 15 -4.205 -12.505 2.591 1.00 52.53 H new ATOM 184 N PHE A 16 2.302 -10.530 6.652 1.00 62.12 N ATOM 185 CA PHE A 16 3.418 -11.034 7.444 1.00 12.03 C ATOM 186 C PHE A 16 3.205 -10.746 8.928 1.00 70.44 C ATOM 187 O PHE A 16 3.286 -11.647 9.764 1.00 0.23 O ATOM 188 CB PHE A 16 4.731 -10.404 6.974 1.00 15.23 C ATOM 189 CG PHE A 16 5.900 -10.724 7.861 1.00 42.24 C ATOM 190 CD1 PHE A 16 6.432 -12.003 7.894 1.00 74.02 C ATOM 191 CD2 PHE A 16 6.469 -9.745 8.660 1.00 34.41 C ATOM 192 CE1 PHE A 16 7.507 -12.300 8.709 1.00 22.20 C ATOM 193 CE2 PHE A 16 7.545 -10.037 9.477 1.00 12.42 C ATOM 194 CZ PHE A 16 8.065 -11.316 9.501 1.00 44.42 C ATOM 0 H PHE A 16 2.520 -9.704 6.094 1.00 62.12 H new ATOM 0 HA PHE A 16 3.471 -12.114 7.305 1.00 12.03 H new ATOM 0 HB2 PHE A 16 4.948 -10.747 5.962 1.00 15.23 H new ATOM 0 HB3 PHE A 16 4.608 -9.322 6.924 1.00 15.23 H new ATOM 0 HD1 PHE A 16 6.001 -12.776 7.275 1.00 74.02 H new ATOM 0 HD2 PHE A 16 6.067 -8.743 8.644 1.00 34.41 H new ATOM 0 HE1 PHE A 16 7.911 -13.301 8.727 1.00 22.20 H new ATOM 0 HE2 PHE A 16 7.979 -9.266 10.096 1.00 12.42 H new ATOM 0 HZ PHE A 16 8.906 -11.546 10.138 1.00 44.42 H new ATOM 204 N LEU A 17 2.933 -9.486 9.246 1.00 11.15 N ATOM 205 CA LEU A 17 2.709 -9.078 10.629 1.00 54.31 C ATOM 206 C LEU A 17 1.475 -9.764 11.206 1.00 74.00 C ATOM 207 O LEU A 17 1.451 -10.134 12.379 1.00 14.44 O ATOM 208 CB LEU A 17 2.548 -7.559 10.713 1.00 14.22 C ATOM 209 CG LEU A 17 1.230 -6.993 10.182 1.00 1.01 C ATOM 210 CD1 LEU A 17 0.341 -6.542 11.331 1.00 43.13 C ATOM 211 CD2 LEU A 17 1.492 -5.840 9.224 1.00 64.31 C ATOM 0 H LEU A 17 2.862 -8.729 8.566 1.00 11.15 H new ATOM 0 HA LEU A 17 3.577 -9.379 11.216 1.00 54.31 H new ATOM 0 HB2 LEU A 17 2.655 -7.260 11.756 1.00 14.22 H new ATOM 0 HB3 LEU A 17 3.367 -7.096 10.163 1.00 14.22 H new ATOM 0 HG LEU A 17 0.712 -7.782 9.637 1.00 1.01 H new ATOM 0 HD11 LEU A 17 -0.592 -6.142 10.934 1.00 43.13 H new ATOM 0 HD12 LEU A 17 0.125 -7.391 11.979 1.00 43.13 H new ATOM 0 HD13 LEU A 17 0.852 -5.769 11.905 1.00 43.13 H new ATOM 0 HD21 LEU A 17 0.543 -5.450 8.856 1.00 64.31 H new ATOM 0 HD22 LEU A 17 2.032 -5.049 9.745 1.00 64.31 H new ATOM 0 HD23 LEU A 17 2.089 -6.194 8.383 1.00 64.31 H new ATOM 223 N GLU A 18 0.453 -9.933 10.372 1.00 1.51 N ATOM 224 CA GLU A 18 -0.783 -10.576 10.800 1.00 34.11 C ATOM 225 C GLU A 18 -0.617 -12.092 10.854 1.00 73.11 C ATOM 226 O GLU A 18 -1.405 -12.790 11.491 1.00 20.31 O ATOM 227 CB GLU A 18 -1.929 -10.211 9.854 1.00 43.24 C ATOM 228 CG GLU A 18 -2.035 -11.126 8.646 1.00 75.25 C ATOM 229 CD GLU A 18 -3.030 -10.622 7.618 1.00 60.22 C ATOM 230 OE1 GLU A 18 -3.002 -9.413 7.308 1.00 73.13 O ATOM 231 OE2 GLU A 18 -3.836 -11.438 7.123 1.00 31.24 O ATOM 0 H GLU A 18 0.457 -9.634 9.397 1.00 1.51 H new ATOM 0 HA GLU A 18 -1.021 -10.217 11.802 1.00 34.11 H new ATOM 0 HB2 GLU A 18 -2.868 -10.241 10.406 1.00 43.24 H new ATOM 0 HB3 GLU A 18 -1.794 -9.185 9.512 1.00 43.24 H new ATOM 0 HG2 GLU A 18 -1.054 -11.222 8.180 1.00 75.25 H new ATOM 0 HG3 GLU A 18 -2.331 -12.122 8.974 1.00 75.25 H new ATOM 238 N GLU A 19 0.413 -12.593 10.180 1.00 61.04 N ATOM 239 CA GLU A 19 0.682 -14.026 10.150 1.00 55.05 C ATOM 240 C GLU A 19 1.274 -14.496 11.475 1.00 62.43 C ATOM 241 O GLU A 19 1.253 -15.687 11.790 1.00 61.15 O ATOM 242 CB GLU A 19 1.636 -14.365 9.003 1.00 50.44 C ATOM 243 CG GLU A 19 2.201 -15.773 9.077 1.00 45.00 C ATOM 244 CD GLU A 19 1.120 -16.836 9.094 1.00 0.30 C ATOM 245 OE1 GLU A 19 0.077 -16.630 8.438 1.00 21.52 O ATOM 246 OE2 GLU A 19 1.316 -17.872 9.763 1.00 50.22 O ATOM 0 H GLU A 19 1.075 -12.028 9.648 1.00 61.04 H new ATOM 0 HA GLU A 19 -0.264 -14.544 9.991 1.00 55.05 H new ATOM 0 HB2 GLU A 19 1.110 -14.243 8.056 1.00 50.44 H new ATOM 0 HB3 GLU A 19 2.460 -13.651 9.004 1.00 50.44 H new ATOM 0 HG2 GLU A 19 2.858 -15.942 8.224 1.00 45.00 H new ATOM 0 HG3 GLU A 19 2.813 -15.868 9.974 1.00 45.00 H new ATOM 253 N LEU A 20 1.803 -13.554 12.247 1.00 10.21 N ATOM 254 CA LEU A 20 2.403 -13.870 13.539 1.00 74.42 C ATOM 255 C LEU A 20 1.611 -13.235 14.677 1.00 12.11 C ATOM 256 O LEU A 20 1.541 -13.780 15.778 1.00 10.50 O ATOM 257 CB LEU A 20 3.854 -13.389 13.581 1.00 30.11 C ATOM 258 CG LEU A 20 4.059 -11.899 13.853 1.00 2.44 C ATOM 259 CD1 LEU A 20 4.237 -11.648 15.343 1.00 41.42 C ATOM 260 CD2 LEU A 20 5.257 -11.374 13.075 1.00 24.35 C ATOM 0 H LEU A 20 1.829 -12.564 12.001 1.00 10.21 H new ATOM 0 HA LEU A 20 2.382 -14.952 13.667 1.00 74.42 H new ATOM 0 HB2 LEU A 20 4.381 -13.954 14.350 1.00 30.11 H new ATOM 0 HB3 LEU A 20 4.324 -13.632 12.628 1.00 30.11 H new ATOM 0 HG LEU A 20 3.171 -11.363 13.518 1.00 2.44 H new ATOM 0 HD11 LEU A 20 4.382 -10.582 15.518 1.00 41.42 H new ATOM 0 HD12 LEU A 20 3.349 -11.986 15.878 1.00 41.42 H new ATOM 0 HD13 LEU A 20 5.108 -12.196 15.703 1.00 41.42 H new ATOM 0 HD21 LEU A 20 5.387 -10.312 13.281 1.00 24.35 H new ATOM 0 HD22 LEU A 20 6.153 -11.915 13.378 1.00 24.35 H new ATOM 0 HD23 LEU A 20 5.089 -11.519 12.008 1.00 24.35 H new ATOM 272 N GLY A 21 1.013 -12.079 14.403 1.00 62.23 N ATOM 273 CA GLY A 21 0.232 -11.390 15.413 1.00 43.41 C ATOM 274 C GLY A 21 0.002 -9.931 15.072 1.00 51.30 C ATOM 275 O GLY A 21 0.949 -9.150 14.987 1.00 63.23 O ATOM 0 H GLY A 21 1.056 -11.608 13.499 1.00 62.23 H new ATOM 0 HA2 GLY A 21 -0.730 -11.889 15.527 1.00 43.41 H new ATOM 0 HA3 GLY A 21 0.743 -11.459 16.373 1.00 43.41 H new ATOM 279 N GLU A 22 -1.260 -9.563 14.875 1.00 52.31 N ATOM 280 CA GLU A 22 -1.611 -8.188 14.539 1.00 44.25 C ATOM 281 C GLU A 22 -1.428 -7.269 15.744 1.00 72.54 C ATOM 282 O GLU A 22 -1.920 -7.554 16.835 1.00 70.03 O ATOM 283 CB GLU A 22 -3.056 -8.113 14.041 1.00 63.50 C ATOM 284 CG GLU A 22 -4.076 -8.592 15.060 1.00 22.22 C ATOM 285 CD GLU A 22 -5.490 -8.596 14.513 1.00 61.22 C ATOM 286 OE1 GLU A 22 -5.672 -8.988 13.341 1.00 11.32 O ATOM 287 OE2 GLU A 22 -6.415 -8.208 15.257 1.00 5.41 O ATOM 0 H GLU A 22 -2.056 -10.197 14.942 1.00 52.31 H new ATOM 0 HA GLU A 22 -0.943 -7.854 13.745 1.00 44.25 H new ATOM 0 HB2 GLU A 22 -3.284 -7.083 13.767 1.00 63.50 H new ATOM 0 HB3 GLU A 22 -3.151 -8.712 13.135 1.00 63.50 H new ATOM 0 HG2 GLU A 22 -3.814 -9.599 15.385 1.00 22.22 H new ATOM 0 HG3 GLU A 22 -4.033 -7.951 15.940 1.00 22.22 H new ATOM 294 N GLY A 23 -0.716 -6.166 15.537 1.00 53.42 N ATOM 295 CA GLY A 23 -0.480 -5.222 16.614 1.00 33.52 C ATOM 296 C GLY A 23 0.631 -5.670 17.543 1.00 13.34 C ATOM 297 O GLY A 23 0.701 -5.236 18.694 1.00 62.15 O ATOM 0 H GLY A 23 -0.298 -5.909 14.643 1.00 53.42 H new ATOM 0 HA2 GLY A 23 -0.227 -4.249 16.192 1.00 33.52 H new ATOM 0 HA3 GLY A 23 -1.398 -5.092 17.187 1.00 33.52 H new ATOM 301 N LYS A 24 1.501 -6.541 17.045 1.00 22.45 N ATOM 302 CA LYS A 24 2.615 -7.049 17.838 1.00 33.21 C ATOM 303 C LYS A 24 3.949 -6.723 17.174 1.00 14.11 C ATOM 304 O LYS A 24 4.001 -5.972 16.200 1.00 34.14 O ATOM 305 CB LYS A 24 2.484 -8.562 18.028 1.00 22.12 C ATOM 306 CG LYS A 24 1.087 -9.007 18.424 1.00 71.02 C ATOM 307 CD LYS A 24 0.659 -8.392 19.746 1.00 50.34 C ATOM 308 CE LYS A 24 1.530 -8.877 20.894 1.00 33.33 C ATOM 309 NZ LYS A 24 1.031 -8.393 22.211 1.00 3.23 N ATOM 0 H LYS A 24 1.457 -6.911 16.095 1.00 22.45 H new ATOM 0 HA LYS A 24 2.586 -6.562 18.813 1.00 33.21 H new ATOM 0 HB2 LYS A 24 2.766 -9.062 17.101 1.00 22.12 H new ATOM 0 HB3 LYS A 24 3.190 -8.886 18.793 1.00 22.12 H new ATOM 0 HG2 LYS A 24 0.380 -8.724 17.644 1.00 71.02 H new ATOM 0 HG3 LYS A 24 1.059 -10.094 18.501 1.00 71.02 H new ATOM 0 HD2 LYS A 24 0.716 -7.306 19.678 1.00 50.34 H new ATOM 0 HD3 LYS A 24 -0.382 -8.645 19.946 1.00 50.34 H new ATOM 0 HE2 LYS A 24 1.557 -9.967 20.894 1.00 33.33 H new ATOM 0 HE3 LYS A 24 2.553 -8.533 20.744 1.00 33.33 H new ATOM 0 HZ1 LYS A 24 1.651 -8.745 22.968 1.00 3.23 H new ATOM 0 HZ2 LYS A 24 1.029 -7.353 22.221 1.00 3.23 H new ATOM 0 HZ3 LYS A 24 0.064 -8.743 22.366 1.00 3.23 H new ATOM 323 N ALA A 25 5.025 -7.293 17.706 1.00 34.14 N ATOM 324 CA ALA A 25 6.358 -7.065 17.163 1.00 72.31 C ATOM 325 C ALA A 25 6.865 -8.296 16.420 1.00 63.34 C ATOM 326 O ALA A 25 6.218 -9.344 16.417 1.00 22.10 O ATOM 327 CB ALA A 25 7.323 -6.683 18.275 1.00 11.31 C ATOM 0 H ALA A 25 4.999 -7.916 18.513 1.00 34.14 H new ATOM 0 HA ALA A 25 6.298 -6.242 16.451 1.00 72.31 H new ATOM 0 HB1 ALA A 25 8.315 -6.516 17.855 1.00 11.31 H new ATOM 0 HB2 ALA A 25 6.976 -5.771 18.760 1.00 11.31 H new ATOM 0 HB3 ALA A 25 7.371 -7.488 19.008 1.00 11.31 H new ATOM 333 N THR A 26 8.028 -8.163 15.788 1.00 33.32 N ATOM 334 CA THR A 26 8.621 -9.264 15.040 1.00 61.04 C ATOM 335 C THR A 26 10.141 -9.150 15.007 1.00 71.41 C ATOM 336 O THR A 26 10.712 -8.169 15.485 1.00 75.23 O ATOM 337 CB THR A 26 8.090 -9.311 13.595 1.00 60.45 C ATOM 338 OG1 THR A 26 8.507 -10.525 12.959 1.00 43.33 O ATOM 339 CG2 THR A 26 8.588 -8.117 12.795 1.00 4.24 C ATOM 0 H THR A 26 8.577 -7.303 15.780 1.00 33.32 H new ATOM 0 HA THR A 26 8.339 -10.183 15.553 1.00 61.04 H new ATOM 0 HB THR A 26 7.001 -9.275 13.631 1.00 60.45 H new ATOM 0 HG1 THR A 26 8.271 -10.494 12.008 1.00 43.33 H new ATOM 0 HG21 THR A 26 8.200 -8.173 11.778 1.00 4.24 H new ATOM 0 HG22 THR A 26 8.244 -7.195 13.265 1.00 4.24 H new ATOM 0 HG23 THR A 26 9.678 -8.126 12.768 1.00 4.24 H new ATOM 347 N THR A 27 10.793 -10.160 14.439 1.00 23.34 N ATOM 348 CA THR A 27 12.248 -10.174 14.345 1.00 55.13 C ATOM 349 C THR A 27 12.703 -10.413 12.910 1.00 71.42 C ATOM 350 O THR A 27 11.994 -11.036 12.119 1.00 0.44 O ATOM 351 CB THR A 27 12.860 -11.257 15.253 1.00 14.10 C ATOM 352 OG1 THR A 27 12.421 -12.554 14.833 1.00 44.22 O ATOM 353 CG2 THR A 27 12.468 -11.030 16.705 1.00 1.24 C ATOM 0 H THR A 27 10.337 -10.979 14.037 1.00 23.34 H new ATOM 0 HA THR A 27 12.596 -9.195 14.676 1.00 55.13 H new ATOM 0 HB THR A 27 13.945 -11.197 15.172 1.00 14.10 H new ATOM 0 HG1 THR A 27 12.816 -13.237 15.414 1.00 44.22 H new ATOM 0 HG21 THR A 27 12.912 -11.807 17.327 1.00 1.24 H new ATOM 0 HG22 THR A 27 12.828 -10.054 17.031 1.00 1.24 H new ATOM 0 HG23 THR A 27 11.383 -11.066 16.799 1.00 1.24 H new ATOM 361 N ALA A 28 13.890 -9.916 12.580 1.00 63.01 N ATOM 362 CA ALA A 28 14.441 -10.079 11.240 1.00 3.32 C ATOM 363 C ALA A 28 14.422 -11.542 10.813 1.00 60.42 C ATOM 364 O ALA A 28 14.205 -11.855 9.642 1.00 54.24 O ATOM 365 CB ALA A 28 15.859 -9.528 11.182 1.00 34.50 C ATOM 0 H ALA A 28 14.489 -9.397 13.222 1.00 63.01 H new ATOM 0 HA ALA A 28 13.816 -9.517 10.546 1.00 3.32 H new ATOM 0 HB1 ALA A 28 16.258 -9.656 10.176 1.00 34.50 H new ATOM 0 HB2 ALA A 28 15.848 -8.468 11.436 1.00 34.50 H new ATOM 0 HB3 ALA A 28 16.487 -10.065 11.893 1.00 34.50 H new ATOM 371 N HIS A 29 14.651 -12.437 11.769 1.00 5.42 N ATOM 372 CA HIS A 29 14.661 -13.868 11.491 1.00 35.40 C ATOM 373 C HIS A 29 13.386 -14.289 10.765 1.00 43.32 C ATOM 374 O HIS A 29 13.426 -15.104 9.843 1.00 52.20 O ATOM 375 CB HIS A 29 14.806 -14.661 12.790 1.00 10.14 C ATOM 376 CG HIS A 29 15.952 -14.210 13.642 1.00 3.31 C ATOM 377 ND1 HIS A 29 17.117 -13.687 13.121 1.00 41.01 N ATOM 378 CD2 HIS A 29 16.108 -14.204 14.987 1.00 54.43 C ATOM 379 CE1 HIS A 29 17.940 -13.381 14.108 1.00 51.50 C ATOM 380 NE2 HIS A 29 17.351 -13.684 15.251 1.00 50.13 N ATOM 0 H HIS A 29 14.832 -12.196 12.743 1.00 5.42 H new ATOM 0 HA HIS A 29 15.514 -14.082 10.847 1.00 35.40 H new ATOM 0 HB2 HIS A 29 13.883 -14.576 13.363 1.00 10.14 H new ATOM 0 HB3 HIS A 29 14.936 -15.716 12.549 1.00 10.14 H new ATOM 0 HD2 HIS A 29 15.388 -14.545 15.717 1.00 54.43 H new ATOM 0 HE1 HIS A 29 18.927 -12.955 13.999 1.00 51.50 H new ATOM 0 HE2 HIS A 29 17.754 -13.553 16.179 1.00 50.13 H new ATOM 388 N ASP A 30 12.258 -13.728 11.187 1.00 63.12 N ATOM 389 CA ASP A 30 10.972 -14.045 10.577 1.00 42.54 C ATOM 390 C ASP A 30 10.768 -13.245 9.293 1.00 22.05 C ATOM 391 O ASP A 30 10.162 -13.730 8.337 1.00 13.41 O ATOM 392 CB ASP A 30 9.834 -13.758 11.557 1.00 0.12 C ATOM 393 CG ASP A 30 8.538 -14.432 11.153 1.00 71.50 C ATOM 394 OD1 ASP A 30 8.544 -15.179 10.152 1.00 63.14 O ATOM 395 OD2 ASP A 30 7.517 -14.215 11.838 1.00 3.45 O ATOM 0 H ASP A 30 12.208 -13.052 11.949 1.00 63.12 H new ATOM 0 HA ASP A 30 10.967 -15.106 10.328 1.00 42.54 H new ATOM 0 HB2 ASP A 30 10.121 -14.097 12.552 1.00 0.12 H new ATOM 0 HB3 ASP A 30 9.676 -12.681 11.620 1.00 0.12 H new ATOM 400 N LEU A 31 11.277 -12.018 9.280 1.00 64.12 N ATOM 401 CA LEU A 31 11.150 -11.150 8.114 1.00 24.03 C ATOM 402 C LEU A 31 11.880 -11.742 6.913 1.00 43.44 C ATOM 403 O LEU A 31 11.281 -11.974 5.863 1.00 43.14 O ATOM 404 CB LEU A 31 11.704 -9.759 8.427 1.00 11.23 C ATOM 405 CG LEU A 31 10.758 -8.810 9.164 1.00 34.10 C ATOM 406 CD1 LEU A 31 11.544 -7.841 10.033 1.00 15.40 C ATOM 407 CD2 LEU A 31 9.883 -8.054 8.174 1.00 5.22 C ATOM 0 H LEU A 31 11.781 -11.602 10.063 1.00 64.12 H new ATOM 0 HA LEU A 31 10.092 -11.066 7.867 1.00 24.03 H new ATOM 0 HB2 LEU A 31 12.608 -9.876 9.025 1.00 11.23 H new ATOM 0 HB3 LEU A 31 12.001 -9.289 7.490 1.00 11.23 H new ATOM 0 HG LEU A 31 10.111 -9.402 9.811 1.00 34.10 H new ATOM 0 HD11 LEU A 31 10.854 -7.174 10.550 1.00 15.40 H new ATOM 0 HD12 LEU A 31 12.126 -8.400 10.766 1.00 15.40 H new ATOM 0 HD13 LEU A 31 12.216 -7.254 9.407 1.00 15.40 H new ATOM 0 HD21 LEU A 31 9.216 -7.383 8.716 1.00 5.22 H new ATOM 0 HD22 LEU A 31 10.514 -7.473 7.501 1.00 5.22 H new ATOM 0 HD23 LEU A 31 9.292 -8.764 7.595 1.00 5.22 H new ATOM 419 N SER A 32 13.177 -11.985 7.075 1.00 11.03 N ATOM 420 CA SER A 32 13.989 -12.548 6.003 1.00 22.33 C ATOM 421 C SER A 32 13.578 -13.988 5.709 1.00 54.43 C ATOM 422 O SER A 32 13.780 -14.489 4.604 1.00 25.50 O ATOM 423 CB SER A 32 15.472 -12.496 6.377 1.00 32.31 C ATOM 424 OG SER A 32 15.668 -12.849 7.736 1.00 51.54 O ATOM 0 H SER A 32 13.688 -11.801 7.938 1.00 11.03 H new ATOM 0 HA SER A 32 13.826 -11.951 5.106 1.00 22.33 H new ATOM 0 HB2 SER A 32 16.036 -13.175 5.737 1.00 32.31 H new ATOM 0 HB3 SER A 32 15.860 -11.493 6.199 1.00 32.31 H new ATOM 0 HG SER A 32 15.325 -12.135 8.312 1.00 51.54 H new ATOM 430 N GLY A 33 12.997 -14.647 6.707 1.00 3.21 N ATOM 431 CA GLY A 33 12.566 -16.022 6.536 1.00 11.15 C ATOM 432 C GLY A 33 11.290 -16.133 5.726 1.00 13.11 C ATOM 433 O GLY A 33 11.197 -16.947 4.807 1.00 45.21 O ATOM 0 H GLY A 33 12.817 -14.253 7.631 1.00 3.21 H new ATOM 0 HA2 GLY A 33 13.356 -16.589 6.043 1.00 11.15 H new ATOM 0 HA3 GLY A 33 12.412 -16.476 7.515 1.00 11.15 H new ATOM 437 N LYS A 34 10.301 -15.314 6.068 1.00 51.35 N ATOM 438 CA LYS A 34 9.023 -15.323 5.366 1.00 13.51 C ATOM 439 C LYS A 34 9.104 -14.511 4.077 1.00 14.43 C ATOM 440 O LYS A 34 8.814 -15.018 2.993 1.00 55.32 O ATOM 441 CB LYS A 34 7.920 -14.761 6.266 1.00 34.53 C ATOM 442 CG LYS A 34 7.539 -15.686 7.410 1.00 74.04 C ATOM 443 CD LYS A 34 6.466 -16.678 6.991 1.00 0.40 C ATOM 444 CE LYS A 34 7.074 -17.939 6.398 1.00 63.15 C ATOM 445 NZ LYS A 34 6.151 -19.103 6.502 1.00 12.44 N ATOM 0 H LYS A 34 10.360 -14.635 6.827 1.00 51.35 H new ATOM 0 HA LYS A 34 8.785 -16.355 5.110 1.00 13.51 H new ATOM 0 HB2 LYS A 34 8.248 -13.806 6.676 1.00 34.53 H new ATOM 0 HB3 LYS A 34 7.035 -14.561 5.661 1.00 34.53 H new ATOM 0 HG2 LYS A 34 8.422 -16.226 7.752 1.00 74.04 H new ATOM 0 HG3 LYS A 34 7.181 -15.095 8.253 1.00 74.04 H new ATOM 0 HD2 LYS A 34 5.854 -16.939 7.854 1.00 0.40 H new ATOM 0 HD3 LYS A 34 5.805 -16.213 6.260 1.00 0.40 H new ATOM 0 HE2 LYS A 34 7.322 -17.765 5.351 1.00 63.15 H new ATOM 0 HE3 LYS A 34 8.007 -18.169 6.912 1.00 63.15 H new ATOM 0 HZ1 LYS A 34 6.603 -19.943 6.087 1.00 12.44 H new ATOM 0 HZ2 LYS A 34 5.934 -19.286 7.503 1.00 12.44 H new ATOM 0 HZ3 LYS A 34 5.270 -18.895 5.990 1.00 12.44 H new ATOM 459 N LEU A 35 9.501 -13.249 4.202 1.00 34.12 N ATOM 460 CA LEU A 35 9.622 -12.367 3.047 1.00 75.14 C ATOM 461 C LEU A 35 10.713 -12.856 2.100 1.00 20.20 C ATOM 462 O LEU A 35 10.720 -12.519 0.917 1.00 72.01 O ATOM 463 CB LEU A 35 9.927 -10.938 3.500 1.00 33.54 C ATOM 464 CG LEU A 35 9.061 -10.396 4.638 1.00 73.11 C ATOM 465 CD1 LEU A 35 9.447 -8.962 4.966 1.00 71.22 C ATOM 466 CD2 LEU A 35 7.586 -10.483 4.274 1.00 72.24 C ATOM 0 H LEU A 35 9.744 -12.814 5.092 1.00 34.12 H new ATOM 0 HA LEU A 35 8.672 -12.377 2.513 1.00 75.14 H new ATOM 0 HB2 LEU A 35 10.971 -10.891 3.811 1.00 33.54 H new ATOM 0 HB3 LEU A 35 9.820 -10.275 2.641 1.00 33.54 H new ATOM 0 HG LEU A 35 9.233 -11.009 5.523 1.00 73.11 H new ATOM 0 HD11 LEU A 35 8.820 -8.593 5.778 1.00 71.22 H new ATOM 0 HD12 LEU A 35 10.493 -8.927 5.271 1.00 71.22 H new ATOM 0 HD13 LEU A 35 9.305 -8.336 4.085 1.00 71.22 H new ATOM 0 HD21 LEU A 35 6.985 -10.093 5.095 1.00 72.24 H new ATOM 0 HD22 LEU A 35 7.398 -9.895 3.376 1.00 72.24 H new ATOM 0 HD23 LEU A 35 7.317 -11.523 4.090 1.00 72.24 H new ATOM 478 N GLY A 36 11.634 -13.656 2.630 1.00 42.44 N ATOM 479 CA GLY A 36 12.717 -14.180 1.818 1.00 74.24 C ATOM 480 C GLY A 36 13.679 -13.100 1.366 1.00 11.41 C ATOM 481 O GLY A 36 14.442 -13.292 0.419 1.00 71.52 O ATOM 0 H GLY A 36 11.649 -13.950 3.607 1.00 42.44 H new ATOM 0 HA2 GLY A 36 13.262 -14.933 2.387 1.00 74.24 H new ATOM 0 HA3 GLY A 36 12.302 -14.681 0.944 1.00 74.24 H new ATOM 485 N THR A 37 13.643 -11.956 2.044 1.00 24.51 N ATOM 486 CA THR A 37 14.517 -10.840 1.706 1.00 53.22 C ATOM 487 C THR A 37 15.727 -10.788 2.631 1.00 61.50 C ATOM 488 O THR A 37 15.724 -11.348 3.728 1.00 45.22 O ATOM 489 CB THR A 37 13.767 -9.496 1.785 1.00 60.51 C ATOM 490 OG1 THR A 37 12.720 -9.576 2.758 1.00 33.41 O ATOM 491 CG2 THR A 37 13.181 -9.123 0.431 1.00 22.25 C ATOM 0 H THR A 37 13.018 -11.779 2.830 1.00 24.51 H new ATOM 0 HA THR A 37 14.853 -11.002 0.682 1.00 53.22 H new ATOM 0 HB THR A 37 14.478 -8.725 2.080 1.00 60.51 H new ATOM 0 HG1 THR A 37 12.249 -8.718 2.803 1.00 33.41 H new ATOM 0 HG21 THR A 37 12.656 -8.171 0.511 1.00 22.25 H new ATOM 0 HG22 THR A 37 13.984 -9.034 -0.301 1.00 22.25 H new ATOM 0 HG23 THR A 37 12.482 -9.896 0.111 1.00 22.25 H new ATOM 499 N PRO A 38 16.788 -10.101 2.182 1.00 73.34 N ATOM 500 CA PRO A 38 18.025 -9.960 2.955 1.00 12.31 C ATOM 501 C PRO A 38 17.844 -9.070 4.180 1.00 11.30 C ATOM 502 O PRO A 38 17.141 -8.060 4.129 1.00 42.04 O ATOM 503 CB PRO A 38 18.992 -9.312 1.962 1.00 42.45 C ATOM 504 CG PRO A 38 18.117 -8.590 0.996 1.00 34.01 C ATOM 505 CD PRO A 38 16.861 -9.409 0.884 1.00 73.32 C ATOM 0 HA PRO A 38 18.372 -10.916 3.347 1.00 12.31 H new ATOM 0 HB2 PRO A 38 19.676 -8.628 2.465 1.00 42.45 H new ATOM 0 HB3 PRO A 38 19.603 -10.061 1.459 1.00 42.45 H new ATOM 0 HG2 PRO A 38 17.896 -7.582 1.347 1.00 34.01 H new ATOM 0 HG3 PRO A 38 18.605 -8.490 0.027 1.00 34.01 H new ATOM 0 HD2 PRO A 38 15.986 -8.782 0.713 1.00 73.32 H new ATOM 0 HD3 PRO A 38 16.914 -10.115 0.055 1.00 73.32 H new ATOM 513 N LYS A 39 18.482 -9.450 5.281 1.00 4.04 N ATOM 514 CA LYS A 39 18.394 -8.686 6.520 1.00 0.11 C ATOM 515 C LYS A 39 18.826 -7.240 6.299 1.00 13.33 C ATOM 516 O LYS A 39 18.412 -6.339 7.030 1.00 41.14 O ATOM 517 CB LYS A 39 19.263 -9.329 7.603 1.00 20.03 C ATOM 518 CG LYS A 39 18.758 -10.686 8.063 1.00 54.43 C ATOM 519 CD LYS A 39 19.829 -11.454 8.818 1.00 44.41 C ATOM 520 CE LYS A 39 20.869 -12.035 7.872 1.00 31.52 C ATOM 521 NZ LYS A 39 20.469 -13.378 7.367 1.00 63.10 N ATOM 0 H LYS A 39 19.067 -10.284 5.341 1.00 4.04 H new ATOM 0 HA LYS A 39 17.354 -8.690 6.847 1.00 0.11 H new ATOM 0 HB2 LYS A 39 20.279 -9.438 7.224 1.00 20.03 H new ATOM 0 HB3 LYS A 39 19.313 -8.659 8.462 1.00 20.03 H new ATOM 0 HG2 LYS A 39 17.886 -10.553 8.703 1.00 54.43 H new ATOM 0 HG3 LYS A 39 18.434 -11.266 7.199 1.00 54.43 H new ATOM 0 HD2 LYS A 39 20.316 -10.792 9.534 1.00 44.41 H new ATOM 0 HD3 LYS A 39 19.367 -12.258 9.390 1.00 44.41 H new ATOM 0 HE2 LYS A 39 21.013 -11.358 7.030 1.00 31.52 H new ATOM 0 HE3 LYS A 39 21.827 -12.111 8.387 1.00 31.52 H new ATOM 0 HZ1 LYS A 39 21.203 -13.741 6.726 1.00 63.10 H new ATOM 0 HZ2 LYS A 39 20.356 -14.031 8.169 1.00 63.10 H new ATOM 0 HZ3 LYS A 39 19.568 -13.302 6.854 1.00 63.10 H new ATOM 535 N LYS A 40 19.659 -7.024 5.287 1.00 53.31 N ATOM 536 CA LYS A 40 20.145 -5.687 4.967 1.00 13.33 C ATOM 537 C LYS A 40 19.023 -4.821 4.402 1.00 4.22 C ATOM 538 O LYS A 40 19.056 -3.596 4.516 1.00 43.04 O ATOM 539 CB LYS A 40 21.297 -5.767 3.963 1.00 32.02 C ATOM 540 CG LYS A 40 22.659 -5.942 4.613 1.00 53.24 C ATOM 541 CD LYS A 40 22.932 -7.397 4.953 1.00 74.41 C ATOM 542 CE LYS A 40 23.560 -8.135 3.781 1.00 62.32 C ATOM 543 NZ LYS A 40 24.978 -7.733 3.569 1.00 64.53 N ATOM 0 H LYS A 40 20.012 -7.758 4.674 1.00 53.31 H new ATOM 0 HA LYS A 40 20.505 -5.229 5.888 1.00 13.33 H new ATOM 0 HB2 LYS A 40 21.118 -6.600 3.283 1.00 32.02 H new ATOM 0 HB3 LYS A 40 21.306 -4.859 3.359 1.00 32.02 H new ATOM 0 HG2 LYS A 40 23.434 -5.573 3.941 1.00 53.24 H new ATOM 0 HG3 LYS A 40 22.710 -5.340 5.520 1.00 53.24 H new ATOM 0 HD2 LYS A 40 23.595 -7.452 5.816 1.00 74.41 H new ATOM 0 HD3 LYS A 40 22.000 -7.887 5.235 1.00 74.41 H new ATOM 0 HE2 LYS A 40 23.510 -9.209 3.959 1.00 62.32 H new ATOM 0 HE3 LYS A 40 22.986 -7.935 2.876 1.00 62.32 H new ATOM 0 HZ1 LYS A 40 25.449 -8.430 2.958 1.00 64.53 H new ATOM 0 HZ2 LYS A 40 25.010 -6.798 3.115 1.00 64.53 H new ATOM 0 HZ3 LYS A 40 25.467 -7.690 4.486 1.00 64.53 H new ATOM 557 N GLU A 41 18.032 -5.466 3.795 1.00 1.11 N ATOM 558 CA GLU A 41 16.901 -4.753 3.213 1.00 32.05 C ATOM 559 C GLU A 41 15.840 -4.460 4.271 1.00 23.40 C ATOM 560 O GLU A 41 15.495 -3.304 4.516 1.00 43.15 O ATOM 561 CB GLU A 41 16.288 -5.568 2.073 1.00 51.03 C ATOM 562 CG GLU A 41 16.912 -5.283 0.717 1.00 1.41 C ATOM 563 CD GLU A 41 16.149 -5.927 -0.424 1.00 10.01 C ATOM 564 OE1 GLU A 41 14.933 -5.668 -0.544 1.00 60.33 O ATOM 565 OE2 GLU A 41 16.767 -6.690 -1.196 1.00 12.43 O ATOM 0 H GLU A 41 17.989 -6.480 3.693 1.00 1.11 H new ATOM 0 HA GLU A 41 17.266 -3.805 2.817 1.00 32.05 H new ATOM 0 HB2 GLU A 41 16.396 -6.629 2.297 1.00 51.03 H new ATOM 0 HB3 GLU A 41 15.219 -5.360 2.023 1.00 51.03 H new ATOM 0 HG2 GLU A 41 16.952 -4.205 0.559 1.00 1.41 H new ATOM 0 HG3 GLU A 41 17.940 -5.645 0.711 1.00 1.41 H new ATOM 572 N ILE A 42 15.327 -5.516 4.894 1.00 64.01 N ATOM 573 CA ILE A 42 14.307 -5.373 5.925 1.00 41.20 C ATOM 574 C ILE A 42 14.762 -4.413 7.019 1.00 50.42 C ATOM 575 O ILE A 42 13.951 -3.699 7.609 1.00 23.53 O ATOM 576 CB ILE A 42 13.956 -6.730 6.562 1.00 23.23 C ATOM 577 CG1 ILE A 42 15.186 -7.329 7.248 1.00 60.42 C ATOM 578 CG2 ILE A 42 13.412 -7.685 5.510 1.00 41.41 C ATOM 579 CD1 ILE A 42 15.231 -7.075 8.738 1.00 1.12 C ATOM 0 H ILE A 42 15.601 -6.480 4.703 1.00 64.01 H new ATOM 0 HA ILE A 42 13.420 -4.970 5.437 1.00 41.20 H new ATOM 0 HB ILE A 42 13.184 -6.572 7.315 1.00 23.23 H new ATOM 0 HG12 ILE A 42 15.203 -8.404 7.070 1.00 60.42 H new ATOM 0 HG13 ILE A 42 16.085 -6.916 6.790 1.00 60.42 H new ATOM 0 HG21 ILE A 42 13.169 -8.640 5.976 1.00 41.41 H new ATOM 0 HG22 ILE A 42 12.513 -7.260 5.063 1.00 41.41 H new ATOM 0 HG23 ILE A 42 14.164 -7.840 4.736 1.00 41.41 H new ATOM 0 HD11 ILE A 42 16.129 -7.528 9.157 1.00 1.12 H new ATOM 0 HD12 ILE A 42 15.245 -6.001 8.924 1.00 1.12 H new ATOM 0 HD13 ILE A 42 14.351 -7.513 9.208 1.00 1.12 H new ATOM 591 N ALA A 43 16.064 -4.399 7.282 1.00 5.24 N ATOM 592 CA ALA A 43 16.628 -3.523 8.302 1.00 23.44 C ATOM 593 C ALA A 43 16.645 -2.073 7.832 1.00 3.24 C ATOM 594 O ALA A 43 16.586 -1.147 8.642 1.00 32.42 O ATOM 595 CB ALA A 43 18.033 -3.978 8.670 1.00 41.31 C ATOM 0 H ALA A 43 16.749 -4.984 6.803 1.00 5.24 H new ATOM 0 HA ALA A 43 15.995 -3.582 9.188 1.00 23.44 H new ATOM 0 HB1 ALA A 43 18.442 -3.315 9.432 1.00 41.31 H new ATOM 0 HB2 ALA A 43 17.996 -4.996 9.057 1.00 41.31 H new ATOM 0 HB3 ALA A 43 18.668 -3.949 7.785 1.00 41.31 H new ATOM 601 N ARG A 44 16.728 -1.882 6.520 1.00 53.22 N ATOM 602 CA ARG A 44 16.755 -0.543 5.943 1.00 74.23 C ATOM 603 C ARG A 44 15.339 -0.020 5.718 1.00 41.42 C ATOM 604 O ARG A 44 14.960 1.023 6.250 1.00 13.54 O ATOM 605 CB ARG A 44 17.523 -0.550 4.620 1.00 24.32 C ATOM 606 CG ARG A 44 18.592 0.527 4.531 1.00 11.11 C ATOM 607 CD ARG A 44 18.000 1.866 4.121 1.00 52.32 C ATOM 608 NE ARG A 44 19.034 2.847 3.801 1.00 12.04 N ATOM 609 CZ ARG A 44 18.781 4.027 3.246 1.00 60.11 C ATOM 610 NH1 ARG A 44 17.535 4.371 2.950 1.00 22.04 N ATOM 611 NH2 ARG A 44 19.776 4.866 2.985 1.00 33.35 N ATOM 0 H ARG A 44 16.778 -2.637 5.836 1.00 53.22 H new ATOM 0 HA ARG A 44 17.262 0.118 6.646 1.00 74.23 H new ATOM 0 HB2 ARG A 44 17.990 -1.526 4.486 1.00 24.32 H new ATOM 0 HB3 ARG A 44 16.818 -0.419 3.799 1.00 24.32 H new ATOM 0 HG2 ARG A 44 19.090 0.628 5.495 1.00 11.11 H new ATOM 0 HG3 ARG A 44 19.352 0.228 3.810 1.00 11.11 H new ATOM 0 HD2 ARG A 44 17.353 1.726 3.255 1.00 52.32 H new ATOM 0 HD3 ARG A 44 17.375 2.248 4.928 1.00 52.32 H new ATOM 0 HE ARG A 44 20.003 2.613 4.015 1.00 12.04 H new ATOM 0 HH11 ARG A 44 16.768 3.729 3.148 1.00 22.04 H new ATOM 0 HH12 ARG A 44 17.344 5.278 2.524 1.00 22.04 H new ATOM 0 HH21 ARG A 44 20.736 4.605 3.211 1.00 33.35 H new ATOM 0 HH22 ARG A 44 19.581 5.772 2.559 1.00 33.35 H new ATOM 625 N VAL A 45 14.562 -0.751 4.925 1.00 43.33 N ATOM 626 CA VAL A 45 13.189 -0.361 4.629 1.00 13.24 C ATOM 627 C VAL A 45 12.414 -0.065 5.909 1.00 62.12 C ATOM 628 O VAL A 45 11.720 0.948 6.007 1.00 32.53 O ATOM 629 CB VAL A 45 12.452 -1.458 3.838 1.00 13.31 C ATOM 630 CG1 VAL A 45 10.977 -1.113 3.694 1.00 43.01 C ATOM 631 CG2 VAL A 45 13.097 -1.656 2.475 1.00 43.41 C ATOM 0 H VAL A 45 14.860 -1.617 4.476 1.00 43.33 H new ATOM 0 HA VAL A 45 13.240 0.542 4.021 1.00 13.24 H new ATOM 0 HB VAL A 45 12.529 -2.394 4.391 1.00 13.31 H new ATOM 0 HG11 VAL A 45 10.473 -1.899 3.132 1.00 43.01 H new ATOM 0 HG12 VAL A 45 10.525 -1.026 4.682 1.00 43.01 H new ATOM 0 HG13 VAL A 45 10.875 -0.166 3.164 1.00 43.01 H new ATOM 0 HG21 VAL A 45 12.564 -2.435 1.930 1.00 43.41 H new ATOM 0 HG22 VAL A 45 13.052 -0.723 1.912 1.00 43.41 H new ATOM 0 HG23 VAL A 45 14.138 -1.952 2.605 1.00 43.41 H new ATOM 641 N LEU A 46 12.538 -0.955 6.888 1.00 40.35 N ATOM 642 CA LEU A 46 11.850 -0.789 8.163 1.00 32.42 C ATOM 643 C LEU A 46 12.286 0.499 8.854 1.00 33.32 C ATOM 644 O LEU A 46 11.497 1.141 9.547 1.00 31.51 O ATOM 645 CB LEU A 46 12.125 -1.988 9.073 1.00 44.12 C ATOM 646 CG LEU A 46 11.302 -2.058 10.359 1.00 15.21 C ATOM 647 CD1 LEU A 46 11.189 -3.495 10.844 1.00 44.12 C ATOM 648 CD2 LEU A 46 11.918 -1.176 11.436 1.00 72.43 C ATOM 0 H LEU A 46 13.108 -1.798 6.823 1.00 40.35 H new ATOM 0 HA LEU A 46 10.780 -0.728 7.965 1.00 32.42 H new ATOM 0 HB2 LEU A 46 11.948 -2.900 8.502 1.00 44.12 H new ATOM 0 HB3 LEU A 46 13.181 -1.980 9.342 1.00 44.12 H new ATOM 0 HG LEU A 46 10.299 -1.689 10.145 1.00 15.21 H new ATOM 0 HD11 LEU A 46 10.600 -3.524 11.760 1.00 44.12 H new ATOM 0 HD12 LEU A 46 10.701 -4.100 10.079 1.00 44.12 H new ATOM 0 HD13 LEU A 46 12.185 -3.892 11.040 1.00 44.12 H new ATOM 0 HD21 LEU A 46 11.319 -1.238 12.344 1.00 72.43 H new ATOM 0 HD22 LEU A 46 12.933 -1.514 11.647 1.00 72.43 H new ATOM 0 HD23 LEU A 46 11.944 -0.143 11.089 1.00 72.43 H new ATOM 660 N ALA A 47 13.546 0.872 8.658 1.00 22.25 N ATOM 661 CA ALA A 47 14.086 2.085 9.259 1.00 14.41 C ATOM 662 C ALA A 47 13.558 3.329 8.552 1.00 11.21 C ATOM 663 O ALA A 47 13.575 4.426 9.110 1.00 3.31 O ATOM 664 CB ALA A 47 15.607 2.061 9.223 1.00 35.13 C ATOM 0 H ALA A 47 14.212 0.351 8.087 1.00 22.25 H new ATOM 0 HA ALA A 47 13.759 2.122 10.298 1.00 14.41 H new ATOM 0 HB1 ALA A 47 15.996 2.973 9.675 1.00 35.13 H new ATOM 0 HB2 ALA A 47 15.971 1.197 9.779 1.00 35.13 H new ATOM 0 HB3 ALA A 47 15.945 1.996 8.189 1.00 35.13 H new ATOM 670 N SER A 48 13.090 3.151 7.321 1.00 71.31 N ATOM 671 CA SER A 48 12.561 4.260 6.536 1.00 42.01 C ATOM 672 C SER A 48 11.119 4.565 6.928 1.00 33.45 C ATOM 673 O SER A 48 10.795 5.683 7.330 1.00 40.33 O ATOM 674 CB SER A 48 12.638 3.938 5.042 1.00 20.33 C ATOM 675 OG SER A 48 12.002 4.942 4.271 1.00 60.35 O ATOM 0 H SER A 48 13.066 2.249 6.845 1.00 71.31 H new ATOM 0 HA SER A 48 13.169 5.141 6.743 1.00 42.01 H new ATOM 0 HB2 SER A 48 13.681 3.849 4.739 1.00 20.33 H new ATOM 0 HB3 SER A 48 12.167 2.974 4.850 1.00 20.33 H new ATOM 0 HG SER A 48 12.066 4.714 3.320 1.00 60.35 H new ATOM 681 N LEU A 49 10.256 3.562 6.810 1.00 71.40 N ATOM 682 CA LEU A 49 8.847 3.720 7.152 1.00 14.12 C ATOM 683 C LEU A 49 8.684 4.134 8.611 1.00 12.32 C ATOM 684 O LEU A 49 8.005 5.115 8.916 1.00 25.44 O ATOM 685 CB LEU A 49 8.089 2.417 6.892 1.00 13.14 C ATOM 686 CG LEU A 49 8.797 1.132 7.321 1.00 31.35 C ATOM 687 CD1 LEU A 49 8.042 0.460 8.458 1.00 12.11 C ATOM 688 CD2 LEU A 49 8.941 0.183 6.141 1.00 63.33 C ATOM 0 H LEU A 49 10.508 2.630 6.480 1.00 71.40 H new ATOM 0 HA LEU A 49 8.432 4.506 6.522 1.00 14.12 H new ATOM 0 HB2 LEU A 49 7.130 2.469 7.407 1.00 13.14 H new ATOM 0 HB3 LEU A 49 7.875 2.351 5.825 1.00 13.14 H new ATOM 0 HG LEU A 49 9.794 1.391 7.677 1.00 31.35 H new ATOM 0 HD11 LEU A 49 8.561 -0.453 8.750 1.00 12.11 H new ATOM 0 HD12 LEU A 49 7.991 1.137 9.311 1.00 12.11 H new ATOM 0 HD13 LEU A 49 7.032 0.214 8.129 1.00 12.11 H new ATOM 0 HD21 LEU A 49 9.447 -0.726 6.465 1.00 63.33 H new ATOM 0 HD22 LEU A 49 7.954 -0.069 5.755 1.00 63.33 H new ATOM 0 HD23 LEU A 49 9.526 0.664 5.357 1.00 63.33 H new ATOM 700 N ALA A 50 9.312 3.382 9.508 1.00 25.32 N ATOM 701 CA ALA A 50 9.241 3.673 10.935 1.00 52.04 C ATOM 702 C ALA A 50 9.594 5.130 11.216 1.00 73.32 C ATOM 703 O ALA A 50 9.142 5.709 12.204 1.00 51.45 O ATOM 704 CB ALA A 50 10.164 2.745 11.710 1.00 44.12 C ATOM 0 H ALA A 50 9.876 2.566 9.272 1.00 25.32 H new ATOM 0 HA ALA A 50 8.216 3.505 11.264 1.00 52.04 H new ATOM 0 HB1 ALA A 50 10.101 2.974 12.774 1.00 44.12 H new ATOM 0 HB2 ALA A 50 9.864 1.711 11.543 1.00 44.12 H new ATOM 0 HB3 ALA A 50 11.190 2.885 11.369 1.00 44.12 H new ATOM 710 N LYS A 51 10.404 5.717 10.342 1.00 63.52 N ATOM 711 CA LYS A 51 10.818 7.106 10.495 1.00 42.21 C ATOM 712 C LYS A 51 9.609 8.035 10.512 1.00 14.43 C ATOM 713 O LYS A 51 9.690 9.169 10.985 1.00 3.21 O ATOM 714 CB LYS A 51 11.765 7.506 9.361 1.00 22.30 C ATOM 715 CG LYS A 51 12.739 8.608 9.742 1.00 70.54 C ATOM 716 CD LYS A 51 13.690 8.157 10.838 1.00 41.14 C ATOM 717 CE LYS A 51 14.860 9.118 10.990 1.00 34.41 C ATOM 718 NZ LYS A 51 15.671 8.816 12.202 1.00 33.10 N ATOM 0 H LYS A 51 10.787 5.251 9.519 1.00 63.52 H new ATOM 0 HA LYS A 51 11.341 7.200 11.447 1.00 42.21 H new ATOM 0 HB2 LYS A 51 12.328 6.629 9.043 1.00 22.30 H new ATOM 0 HB3 LYS A 51 11.175 7.834 8.505 1.00 22.30 H new ATOM 0 HG2 LYS A 51 13.311 8.909 8.864 1.00 70.54 H new ATOM 0 HG3 LYS A 51 12.185 9.485 10.078 1.00 70.54 H new ATOM 0 HD2 LYS A 51 13.151 8.086 11.783 1.00 41.14 H new ATOM 0 HD3 LYS A 51 14.064 7.159 10.609 1.00 41.14 H new ATOM 0 HE2 LYS A 51 15.494 9.061 10.105 1.00 34.41 H new ATOM 0 HE3 LYS A 51 14.485 10.140 11.049 1.00 34.41 H new ATOM 0 HZ1 LYS A 51 16.458 9.492 12.270 1.00 33.10 H new ATOM 0 HZ2 LYS A 51 15.072 8.895 13.049 1.00 33.10 H new ATOM 0 HZ3 LYS A 51 16.050 7.850 12.134 1.00 33.10 H new ATOM 732 N LYS A 52 8.486 7.548 9.995 1.00 21.42 N ATOM 733 CA LYS A 52 7.258 8.332 9.953 1.00 0.55 C ATOM 734 C LYS A 52 6.456 8.156 11.239 1.00 54.13 C ATOM 735 O LYS A 52 5.508 8.897 11.497 1.00 72.32 O ATOM 736 CB LYS A 52 6.408 7.923 8.749 1.00 53.54 C ATOM 737 CG LYS A 52 5.427 6.803 9.049 1.00 54.53 C ATOM 738 CD LYS A 52 4.699 6.349 7.795 1.00 54.13 C ATOM 739 CE LYS A 52 5.572 5.444 6.940 1.00 22.31 C ATOM 740 NZ LYS A 52 4.812 4.847 5.807 1.00 13.42 N ATOM 0 H LYS A 52 8.401 6.612 9.599 1.00 21.42 H new ATOM 0 HA LYS A 52 7.531 9.383 9.857 1.00 0.55 H new ATOM 0 HB2 LYS A 52 5.856 8.793 8.393 1.00 53.54 H new ATOM 0 HB3 LYS A 52 7.067 7.610 7.939 1.00 53.54 H new ATOM 0 HG2 LYS A 52 5.960 5.959 9.487 1.00 54.53 H new ATOM 0 HG3 LYS A 52 4.702 7.142 9.789 1.00 54.53 H new ATOM 0 HD2 LYS A 52 3.788 5.820 8.074 1.00 54.13 H new ATOM 0 HD3 LYS A 52 4.397 7.220 7.213 1.00 54.13 H new ATOM 0 HE2 LYS A 52 6.415 6.015 6.551 1.00 22.31 H new ATOM 0 HE3 LYS A 52 5.985 4.648 7.559 1.00 22.31 H new ATOM 0 HZ1 LYS A 52 5.443 4.237 5.249 1.00 13.42 H new ATOM 0 HZ2 LYS A 52 4.023 4.281 6.179 1.00 13.42 H new ATOM 0 HZ3 LYS A 52 4.439 5.606 5.201 1.00 13.42 H new ATOM 754 N GLY A 53 6.843 7.170 12.043 1.00 42.43 N ATOM 755 CA GLY A 53 6.150 6.916 13.292 1.00 52.11 C ATOM 756 C GLY A 53 5.186 5.750 13.193 1.00 2.11 C ATOM 757 O GLY A 53 4.483 5.433 14.153 1.00 72.25 O ATOM 0 H GLY A 53 7.624 6.543 11.851 1.00 42.43 H new ATOM 0 HA2 GLY A 53 6.881 6.714 14.075 1.00 52.11 H new ATOM 0 HA3 GLY A 53 5.604 7.811 13.589 1.00 52.11 H new ATOM 761 N LYS A 54 5.151 5.110 12.029 1.00 4.41 N ATOM 762 CA LYS A 54 4.267 3.973 11.807 1.00 73.12 C ATOM 763 C LYS A 54 4.905 2.681 12.307 1.00 0.24 C ATOM 764 O LYS A 54 4.224 1.671 12.493 1.00 43.44 O ATOM 765 CB LYS A 54 3.931 3.845 10.319 1.00 14.03 C ATOM 766 CG LYS A 54 2.928 2.745 10.015 1.00 42.34 C ATOM 767 CD LYS A 54 2.531 2.744 8.548 1.00 72.20 C ATOM 768 CE LYS A 54 1.799 1.465 8.170 1.00 23.11 C ATOM 769 NZ LYS A 54 0.329 1.585 8.376 1.00 43.34 N ATOM 0 H LYS A 54 5.726 5.360 11.224 1.00 4.41 H new ATOM 0 HA LYS A 54 3.348 4.145 12.368 1.00 73.12 H new ATOM 0 HB2 LYS A 54 3.535 4.795 9.961 1.00 14.03 H new ATOM 0 HB3 LYS A 54 4.849 3.653 9.763 1.00 14.03 H new ATOM 0 HG2 LYS A 54 3.356 1.778 10.278 1.00 42.34 H new ATOM 0 HG3 LYS A 54 2.040 2.879 10.633 1.00 42.34 H new ATOM 0 HD2 LYS A 54 1.894 3.604 8.342 1.00 72.20 H new ATOM 0 HD3 LYS A 54 3.422 2.852 7.929 1.00 72.20 H new ATOM 0 HE2 LYS A 54 2.001 1.226 7.126 1.00 23.11 H new ATOM 0 HE3 LYS A 54 2.183 0.637 8.766 1.00 23.11 H new ATOM 0 HZ1 LYS A 54 -0.133 0.693 8.107 1.00 43.34 H new ATOM 0 HZ2 LYS A 54 0.134 1.788 9.377 1.00 43.34 H new ATOM 0 HZ3 LYS A 54 -0.042 2.358 7.788 1.00 43.34 H new ATOM 783 N LEU A 55 6.215 2.720 12.526 1.00 13.01 N ATOM 784 CA LEU A 55 6.945 1.552 13.007 1.00 1.44 C ATOM 785 C LEU A 55 7.974 1.950 14.061 1.00 62.13 C ATOM 786 O LEU A 55 8.140 3.131 14.364 1.00 23.14 O ATOM 787 CB LEU A 55 7.638 0.844 11.842 1.00 4.23 C ATOM 788 CG LEU A 55 6.918 -0.380 11.277 1.00 62.42 C ATOM 789 CD1 LEU A 55 6.592 -1.367 12.387 1.00 74.42 C ATOM 790 CD2 LEU A 55 5.652 0.037 10.543 1.00 44.25 C ATOM 0 H LEU A 55 6.793 3.547 12.378 1.00 13.01 H new ATOM 0 HA LEU A 55 6.229 0.869 13.464 1.00 1.44 H new ATOM 0 HB2 LEU A 55 7.776 1.564 11.035 1.00 4.23 H new ATOM 0 HB3 LEU A 55 8.632 0.537 12.169 1.00 4.23 H new ATOM 0 HG LEU A 55 7.581 -0.871 10.565 1.00 62.42 H new ATOM 0 HD11 LEU A 55 6.080 -2.232 11.966 1.00 74.42 H new ATOM 0 HD12 LEU A 55 7.515 -1.691 12.869 1.00 74.42 H new ATOM 0 HD13 LEU A 55 5.948 -0.887 13.123 1.00 74.42 H new ATOM 0 HD21 LEU A 55 5.153 -0.847 10.148 1.00 44.25 H new ATOM 0 HD22 LEU A 55 4.984 0.553 11.233 1.00 44.25 H new ATOM 0 HD23 LEU A 55 5.911 0.705 9.722 1.00 44.25 H new ATOM 802 N GLN A 56 8.663 0.956 14.612 1.00 1.02 N ATOM 803 CA GLN A 56 9.677 1.203 15.630 1.00 1.04 C ATOM 804 C GLN A 56 10.724 0.094 15.636 1.00 44.32 C ATOM 805 O GLN A 56 10.434 -1.051 15.289 1.00 40.44 O ATOM 806 CB GLN A 56 9.028 1.314 17.011 1.00 54.12 C ATOM 807 CG GLN A 56 8.724 2.744 17.427 1.00 5.33 C ATOM 808 CD GLN A 56 8.819 2.948 18.927 1.00 42.15 C ATOM 809 OE1 GLN A 56 8.803 1.988 19.697 1.00 12.14 O ATOM 810 NE2 GLN A 56 8.919 4.203 19.348 1.00 3.25 N ATOM 0 H GLN A 56 8.538 -0.027 14.371 1.00 1.02 H new ATOM 0 HA GLN A 56 10.172 2.144 15.392 1.00 1.04 H new ATOM 0 HB2 GLN A 56 8.102 0.738 17.016 1.00 54.12 H new ATOM 0 HB3 GLN A 56 9.688 0.862 17.751 1.00 54.12 H new ATOM 0 HG2 GLN A 56 9.419 3.419 16.928 1.00 5.33 H new ATOM 0 HG3 GLN A 56 7.722 3.011 17.090 1.00 5.33 H new ATOM 0 HE21 GLN A 56 8.928 4.968 18.673 1.00 3.25 H new ATOM 0 HE22 GLN A 56 8.986 4.402 20.346 1.00 3.25 H new ATOM 819 N LYS A 57 11.944 0.442 16.032 1.00 63.42 N ATOM 820 CA LYS A 57 13.036 -0.524 16.084 1.00 40.52 C ATOM 821 C LYS A 57 13.536 -0.703 17.514 1.00 50.13 C ATOM 822 O LYS A 57 14.287 0.126 18.026 1.00 65.20 O ATOM 823 CB LYS A 57 14.187 -0.071 15.183 1.00 63.33 C ATOM 824 CG LYS A 57 14.040 -0.517 13.738 1.00 2.01 C ATOM 825 CD LYS A 57 15.349 -0.383 12.977 1.00 15.12 C ATOM 826 CE LYS A 57 15.538 -1.523 11.989 1.00 73.24 C ATOM 827 NZ LYS A 57 16.459 -2.567 12.516 1.00 64.30 N ATOM 0 H LYS A 57 12.202 1.386 16.322 1.00 63.42 H new ATOM 0 HA LYS A 57 12.658 -1.482 15.727 1.00 40.52 H new ATOM 0 HB2 LYS A 57 14.255 1.016 15.214 1.00 63.33 H new ATOM 0 HB3 LYS A 57 15.124 -0.460 15.581 1.00 63.33 H new ATOM 0 HG2 LYS A 57 13.705 -1.554 13.709 1.00 2.01 H new ATOM 0 HG3 LYS A 57 13.271 0.080 13.248 1.00 2.01 H new ATOM 0 HD2 LYS A 57 15.366 0.568 12.445 1.00 15.12 H new ATOM 0 HD3 LYS A 57 16.181 -0.369 13.681 1.00 15.12 H new ATOM 0 HE2 LYS A 57 14.571 -1.972 11.764 1.00 73.24 H new ATOM 0 HE3 LYS A 57 15.933 -1.130 11.052 1.00 73.24 H new ATOM 0 HZ1 LYS A 57 16.776 -3.177 11.735 1.00 64.30 H new ATOM 0 HZ2 LYS A 57 17.284 -2.112 12.957 1.00 64.30 H new ATOM 0 HZ3 LYS A 57 15.962 -3.143 13.225 1.00 64.30 H new ATOM 841 N GLU A 58 13.115 -1.791 18.151 1.00 13.21 N ATOM 842 CA GLU A 58 13.521 -2.078 19.522 1.00 44.23 C ATOM 843 C GLU A 58 14.996 -2.466 19.582 1.00 71.32 C ATOM 844 O GLU A 58 15.337 -3.648 19.607 1.00 34.52 O ATOM 845 CB GLU A 58 12.663 -3.201 20.108 1.00 54.45 C ATOM 846 CG GLU A 58 12.055 -2.861 21.458 1.00 0.31 C ATOM 847 CD GLU A 58 11.109 -3.935 21.959 1.00 1.22 C ATOM 848 OE1 GLU A 58 10.580 -4.697 21.124 1.00 64.42 O ATOM 849 OE2 GLU A 58 10.898 -4.012 23.188 1.00 61.42 O ATOM 0 H GLU A 58 12.494 -2.488 17.740 1.00 13.21 H new ATOM 0 HA GLU A 58 13.376 -1.174 20.113 1.00 44.23 H new ATOM 0 HB2 GLU A 58 11.862 -3.438 19.408 1.00 54.45 H new ATOM 0 HB3 GLU A 58 13.274 -4.098 20.210 1.00 54.45 H new ATOM 0 HG2 GLU A 58 12.853 -2.717 22.186 1.00 0.31 H new ATOM 0 HG3 GLU A 58 11.518 -1.915 21.383 1.00 0.31 H new ATOM 856 N ALA A 59 15.866 -1.462 19.604 1.00 51.15 N ATOM 857 CA ALA A 59 17.303 -1.697 19.662 1.00 61.31 C ATOM 858 C ALA A 59 17.825 -1.555 21.087 1.00 3.55 C ATOM 859 O ALA A 59 18.458 -0.556 21.430 1.00 33.53 O ATOM 860 CB ALA A 59 18.033 -0.740 18.732 1.00 41.50 C ATOM 0 H ALA A 59 15.600 -0.477 19.583 1.00 51.15 H new ATOM 0 HA ALA A 59 17.492 -2.719 19.334 1.00 61.31 H new ATOM 0 HB1 ALA A 59 19.105 -0.927 18.786 1.00 41.50 H new ATOM 0 HB2 ALA A 59 17.689 -0.893 17.709 1.00 41.50 H new ATOM 0 HB3 ALA A 59 17.829 0.287 19.034 1.00 41.50 H new ATOM 866 N GLY A 60 17.556 -2.559 21.915 1.00 34.53 N ATOM 867 CA GLY A 60 18.005 -2.525 23.295 1.00 60.32 C ATOM 868 C GLY A 60 18.003 -3.897 23.939 1.00 21.24 C ATOM 869 O GLY A 60 18.462 -4.873 23.344 1.00 4.41 O ATOM 0 H GLY A 60 17.035 -3.396 21.655 1.00 34.53 H new ATOM 0 HA2 GLY A 60 19.012 -2.109 23.336 1.00 60.32 H new ATOM 0 HA3 GLY A 60 17.361 -1.857 23.867 1.00 60.32 H new ATOM 873 N THR A 61 17.486 -3.974 25.162 1.00 61.52 N ATOM 874 CA THR A 61 17.429 -5.236 25.889 1.00 31.12 C ATOM 875 C THR A 61 16.734 -6.315 25.066 1.00 44.54 C ATOM 876 O THR A 61 17.330 -7.327 24.695 1.00 14.35 O ATOM 877 CB THR A 61 16.692 -5.077 27.232 1.00 33.33 C ATOM 878 OG1 THR A 61 16.144 -3.759 27.337 1.00 11.55 O ATOM 879 CG2 THR A 61 17.632 -5.336 28.400 1.00 42.13 C ATOM 0 H THR A 61 17.101 -3.177 25.669 1.00 61.52 H new ATOM 0 HA THR A 61 18.459 -5.537 26.081 1.00 31.12 H new ATOM 0 HB THR A 61 15.885 -5.809 27.267 1.00 33.33 H new ATOM 0 HG1 THR A 61 15.676 -3.667 28.193 1.00 11.55 H new ATOM 0 HG21 THR A 61 17.089 -5.218 29.337 1.00 42.13 H new ATOM 0 HG22 THR A 61 18.024 -6.351 28.333 1.00 42.13 H new ATOM 0 HG23 THR A 61 18.458 -4.625 28.367 1.00 42.13 H new ATOM 887 N PRO A 62 15.445 -6.096 24.770 1.00 55.51 N ATOM 888 CA PRO A 62 14.641 -7.038 23.985 1.00 2.23 C ATOM 889 C PRO A 62 15.070 -7.087 22.523 1.00 53.03 C ATOM 890 O PRO A 62 14.856 -6.148 21.756 1.00 14.42 O ATOM 891 CB PRO A 62 13.221 -6.481 24.108 1.00 53.21 C ATOM 892 CG PRO A 62 13.406 -5.027 24.374 1.00 13.24 C ATOM 893 CD PRO A 62 14.671 -4.911 25.178 1.00 1.13 C ATOM 0 HA PRO A 62 14.744 -8.061 24.346 1.00 2.23 H new ATOM 0 HB2 PRO A 62 12.650 -6.647 23.194 1.00 53.21 H new ATOM 0 HB3 PRO A 62 12.675 -6.965 24.917 1.00 53.21 H new ATOM 0 HG2 PRO A 62 13.483 -4.467 23.442 1.00 13.24 H new ATOM 0 HG3 PRO A 62 12.557 -4.619 24.922 1.00 13.24 H new ATOM 0 HD2 PRO A 62 15.205 -3.987 24.956 1.00 1.13 H new ATOM 0 HD3 PRO A 62 14.468 -4.913 26.249 1.00 1.13 H new ATOM 901 N PRO A 63 15.689 -8.208 22.124 1.00 2.20 N ATOM 902 CA PRO A 63 16.160 -8.406 20.750 1.00 73.31 C ATOM 903 C PRO A 63 15.010 -8.574 19.762 1.00 2.41 C ATOM 904 O PRO A 63 14.574 -9.692 19.484 1.00 4.34 O ATOM 905 CB PRO A 63 16.980 -9.695 20.839 1.00 63.53 C ATOM 906 CG PRO A 63 16.414 -10.425 22.008 1.00 62.13 C ATOM 907 CD PRO A 63 15.978 -9.368 22.984 1.00 53.11 C ATOM 0 HA PRO A 63 16.726 -7.549 20.385 1.00 73.31 H new ATOM 0 HB2 PRO A 63 16.893 -10.283 19.925 1.00 63.53 H new ATOM 0 HB3 PRO A 63 18.039 -9.481 20.981 1.00 63.53 H new ATOM 0 HG2 PRO A 63 15.573 -11.050 21.708 1.00 62.13 H new ATOM 0 HG3 PRO A 63 17.158 -11.085 22.454 1.00 62.13 H new ATOM 0 HD2 PRO A 63 15.098 -9.680 23.547 1.00 53.11 H new ATOM 0 HD3 PRO A 63 16.759 -9.145 23.710 1.00 53.11 H new ATOM 915 N LEU A 64 14.523 -7.456 19.234 1.00 62.33 N ATOM 916 CA LEU A 64 13.424 -7.479 18.275 1.00 34.23 C ATOM 917 C LEU A 64 13.055 -6.066 17.836 1.00 53.10 C ATOM 918 O LEU A 64 13.709 -5.096 18.218 1.00 1.14 O ATOM 919 CB LEU A 64 12.203 -8.171 18.886 1.00 43.33 C ATOM 920 CG LEU A 64 11.820 -7.732 20.299 1.00 3.44 C ATOM 921 CD1 LEU A 64 10.322 -7.490 20.396 1.00 71.31 C ATOM 922 CD2 LEU A 64 12.262 -8.772 21.319 1.00 55.32 C ATOM 0 H LEU A 64 14.872 -6.523 19.454 1.00 62.33 H new ATOM 0 HA LEU A 64 13.751 -8.038 17.398 1.00 34.23 H new ATOM 0 HB2 LEU A 64 11.349 -8.002 18.231 1.00 43.33 H new ATOM 0 HB3 LEU A 64 12.388 -9.245 18.898 1.00 43.33 H new ATOM 0 HG LEU A 64 12.333 -6.796 20.519 1.00 3.44 H new ATOM 0 HD11 LEU A 64 10.069 -7.178 21.409 1.00 71.31 H new ATOM 0 HD12 LEU A 64 10.033 -6.709 19.693 1.00 71.31 H new ATOM 0 HD13 LEU A 64 9.789 -8.410 20.155 1.00 71.31 H new ATOM 0 HD21 LEU A 64 11.981 -8.443 22.319 1.00 55.32 H new ATOM 0 HD22 LEU A 64 11.778 -9.724 21.101 1.00 55.32 H new ATOM 0 HD23 LEU A 64 13.344 -8.895 21.268 1.00 55.32 H new ATOM 934 N TRP A 65 12.002 -5.957 17.033 1.00 23.53 N ATOM 935 CA TRP A 65 11.545 -4.662 16.544 1.00 52.12 C ATOM 936 C TRP A 65 10.336 -4.177 17.336 1.00 54.22 C ATOM 937 O TRP A 65 9.990 -4.746 18.372 1.00 42.43 O ATOM 938 CB TRP A 65 11.195 -4.750 15.058 1.00 53.15 C ATOM 939 CG TRP A 65 12.178 -5.554 14.262 1.00 2.11 C ATOM 940 CD1 TRP A 65 11.892 -6.535 13.356 1.00 44.32 C ATOM 941 CD2 TRP A 65 13.605 -5.447 14.304 1.00 43.33 C ATOM 942 NE1 TRP A 65 13.056 -7.044 12.832 1.00 40.25 N ATOM 943 CE2 TRP A 65 14.121 -6.393 13.396 1.00 53.40 C ATOM 944 CE3 TRP A 65 14.498 -4.643 15.018 1.00 52.44 C ATOM 945 CZ2 TRP A 65 15.488 -6.555 13.187 1.00 54.14 C ATOM 946 CZ3 TRP A 65 15.854 -4.805 14.809 1.00 61.12 C ATOM 947 CH2 TRP A 65 16.339 -5.754 13.899 1.00 35.40 C ATOM 0 H TRP A 65 11.449 -6.750 16.707 1.00 23.53 H new ATOM 0 HA TRP A 65 12.355 -3.945 16.677 1.00 52.12 H new ATOM 0 HB2 TRP A 65 10.204 -5.192 14.951 1.00 53.15 H new ATOM 0 HB3 TRP A 65 11.141 -3.743 14.645 1.00 53.15 H new ATOM 0 HD1 TRP A 65 10.898 -6.862 13.090 1.00 44.32 H new ATOM 0 HE1 TRP A 65 13.117 -7.787 12.136 1.00 40.25 H new ATOM 0 HE3 TRP A 65 14.134 -3.908 15.721 1.00 52.44 H new ATOM 0 HZ2 TRP A 65 15.864 -7.287 12.487 1.00 54.14 H new ATOM 0 HZ3 TRP A 65 16.552 -4.190 15.356 1.00 61.12 H new ATOM 0 HH2 TRP A 65 17.405 -5.855 13.757 1.00 35.40 H new ATOM 958 N LYS A 66 9.695 -3.123 16.842 1.00 12.45 N ATOM 959 CA LYS A 66 8.522 -2.561 17.503 1.00 24.20 C ATOM 960 C LYS A 66 7.563 -1.954 16.485 1.00 75.43 C ATOM 961 O LYS A 66 7.929 -1.728 15.331 1.00 73.31 O ATOM 962 CB LYS A 66 8.944 -1.497 18.519 1.00 64.31 C ATOM 963 CG LYS A 66 9.001 -2.009 19.948 1.00 73.21 C ATOM 964 CD LYS A 66 9.093 -0.867 20.946 1.00 24.30 C ATOM 965 CE LYS A 66 7.715 -0.370 21.353 1.00 0.33 C ATOM 966 NZ LYS A 66 7.752 0.373 22.643 1.00 3.05 N ATOM 0 H LYS A 66 9.968 -2.640 15.986 1.00 12.45 H new ATOM 0 HA LYS A 66 8.008 -3.369 18.024 1.00 24.20 H new ATOM 0 HB2 LYS A 66 9.924 -1.110 18.241 1.00 64.31 H new ATOM 0 HB3 LYS A 66 8.246 -0.662 18.469 1.00 64.31 H new ATOM 0 HG2 LYS A 66 8.113 -2.606 20.157 1.00 73.21 H new ATOM 0 HG3 LYS A 66 9.862 -2.667 20.066 1.00 73.21 H new ATOM 0 HD2 LYS A 66 9.637 -1.198 21.830 1.00 24.30 H new ATOM 0 HD3 LYS A 66 9.663 -0.046 20.510 1.00 24.30 H new ATOM 0 HE2 LYS A 66 7.317 0.278 20.572 1.00 0.33 H new ATOM 0 HE3 LYS A 66 7.035 -1.217 21.441 1.00 0.33 H new ATOM 0 HZ1 LYS A 66 6.793 0.695 22.886 1.00 3.05 H new ATOM 0 HZ2 LYS A 66 8.107 -0.253 23.394 1.00 3.05 H new ATOM 0 HZ3 LYS A 66 8.381 1.196 22.552 1.00 3.05 H new ATOM 980 N ILE A 67 6.335 -1.692 16.919 1.00 14.21 N ATOM 981 CA ILE A 67 5.324 -1.109 16.045 1.00 1.34 C ATOM 982 C ILE A 67 4.913 0.278 16.529 1.00 31.32 C ATOM 983 O ILE A 67 4.982 0.576 17.721 1.00 11.11 O ATOM 984 CB ILE A 67 4.072 -2.002 15.958 1.00 44.31 C ATOM 985 CG1 ILE A 67 3.551 -2.326 17.360 1.00 44.24 C ATOM 986 CG2 ILE A 67 4.386 -3.280 15.195 1.00 50.02 C ATOM 987 CD1 ILE A 67 2.173 -2.949 17.363 1.00 63.43 C ATOM 0 H ILE A 67 6.016 -1.874 17.871 1.00 14.21 H new ATOM 0 HA ILE A 67 5.772 -1.028 15.055 1.00 1.34 H new ATOM 0 HB ILE A 67 3.294 -1.461 15.418 1.00 44.31 H new ATOM 0 HG12 ILE A 67 4.249 -3.005 17.850 1.00 44.24 H new ATOM 0 HG13 ILE A 67 3.528 -1.410 17.951 1.00 44.24 H new ATOM 0 HG21 ILE A 67 3.492 -3.901 15.142 1.00 50.02 H new ATOM 0 HG22 ILE A 67 4.715 -3.030 14.186 1.00 50.02 H new ATOM 0 HG23 ILE A 67 5.177 -3.826 15.710 1.00 50.02 H new ATOM 0 HD11 ILE A 67 1.868 -3.152 18.390 1.00 63.43 H new ATOM 0 HD12 ILE A 67 1.463 -2.263 16.902 1.00 63.43 H new ATOM 0 HD13 ILE A 67 2.194 -3.882 16.800 1.00 63.43 H new ATOM 999 N ALA A 68 4.483 1.121 15.596 1.00 62.31 N ATOM 1000 CA ALA A 68 4.057 2.475 15.927 1.00 32.44 C ATOM 1001 C ALA A 68 3.173 3.056 14.829 1.00 3.20 C ATOM 1002 O ALA A 68 2.416 3.999 15.062 1.00 3.44 O ATOM 1003 CB ALA A 68 5.267 3.367 16.162 1.00 71.42 C ATOM 0 H ALA A 68 4.420 0.890 14.605 1.00 62.31 H new ATOM 0 HA ALA A 68 3.470 2.431 16.844 1.00 32.44 H new ATOM 0 HB1 ALA A 68 4.934 4.375 16.408 1.00 71.42 H new ATOM 0 HB2 ALA A 68 5.858 2.969 16.987 1.00 71.42 H new ATOM 0 HB3 ALA A 68 5.878 3.397 15.260 1.00 71.42 H new TER 1009 ALA A 68