USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 1043 hydrogens (1 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.209 (180deg=-0.918) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 175:sc= -0.523 (180deg=-0.611) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 34:sc= 0.953 USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= -0.0116 (180deg=-0.135) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -140:sc= -0.769 (180deg=-3.73!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -179:sc= 0 (180deg=-0.000746) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 178:sc= 0.138 (180deg=0.137) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl 176:sc= -0.605 (180deg=-0.699) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot 34:sc= 0.548 USER MOD Single : B 46 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.147) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ -164:sc=-0.00604 (180deg=-0.187) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.826 22.775 -0.270 1.00 61.52 N ATOM 2 CA MET A 1 -16.660 21.509 -0.976 1.00 54.33 C ATOM 3 C MET A 1 -15.211 21.039 -0.915 1.00 31.44 C ATOM 4 O MET A 1 -14.936 19.882 -0.592 1.00 54.35 O ATOM 5 CB MET A 1 -17.101 21.653 -2.434 1.00 75.11 C ATOM 6 CG MET A 1 -18.611 21.688 -2.612 1.00 20.30 C ATOM 7 SD MET A 1 -19.110 21.570 -4.341 1.00 51.34 S ATOM 8 CE MET A 1 -20.223 20.170 -4.278 1.00 23.32 C ATOM 0 H1 MET A 1 -17.820 22.885 0.017 1.00 61.52 H new ATOM 0 H2 MET A 1 -16.219 22.784 0.574 1.00 61.52 H new ATOM 0 H3 MET A 1 -16.558 23.560 -0.897 1.00 61.52 H new ATOM 0 HA MET A 1 -17.286 20.763 -0.486 1.00 54.33 H new ATOM 0 HB2 MET A 1 -16.674 22.567 -2.846 1.00 75.11 H new ATOM 0 HB3 MET A 1 -16.694 20.823 -3.012 1.00 75.11 H new ATOM 0 HG2 MET A 1 -19.058 20.867 -2.052 1.00 20.30 H new ATOM 0 HG3 MET A 1 -19.002 22.613 -2.188 1.00 20.30 H new ATOM 0 HE1 MET A 1 -20.615 19.972 -5.275 1.00 23.32 H new ATOM 0 HE2 MET A 1 -19.684 19.293 -3.919 1.00 23.32 H new ATOM 0 HE3 MET A 1 -21.048 20.391 -3.601 1.00 23.32 H new ATOM 18 N LYS A 2 -14.287 21.939 -1.228 1.00 40.13 N ATOM 19 CA LYS A 2 -12.865 21.617 -1.208 1.00 53.50 C ATOM 20 C LYS A 2 -12.535 20.551 -2.248 1.00 2.23 C ATOM 21 O LYS A 2 -13.407 19.799 -2.680 1.00 31.34 O ATOM 22 CB LYS A 2 -12.451 21.134 0.184 1.00 23.12 C ATOM 23 CG LYS A 2 -11.612 22.141 0.952 1.00 61.20 C ATOM 24 CD LYS A 2 -12.479 23.189 1.629 1.00 21.12 C ATOM 25 CE LYS A 2 -11.654 24.376 2.100 1.00 2.22 C ATOM 26 NZ LYS A 2 -11.729 24.551 3.578 1.00 44.21 N ATOM 0 H LYS A 2 -14.497 22.900 -1.499 1.00 40.13 H new ATOM 0 HA LYS A 2 -12.308 22.522 -1.452 1.00 53.50 H new ATOM 0 HB2 LYS A 2 -13.347 20.904 0.761 1.00 23.12 H new ATOM 0 HB3 LYS A 2 -11.889 20.205 0.085 1.00 23.12 H new ATOM 0 HG2 LYS A 2 -11.015 21.622 1.702 1.00 61.20 H new ATOM 0 HG3 LYS A 2 -10.915 22.629 0.271 1.00 61.20 H new ATOM 0 HD2 LYS A 2 -13.247 23.531 0.935 1.00 21.12 H new ATOM 0 HD3 LYS A 2 -12.994 22.742 2.479 1.00 21.12 H new ATOM 0 HE2 LYS A 2 -10.615 24.237 1.803 1.00 2.22 H new ATOM 0 HE3 LYS A 2 -12.008 25.282 1.608 1.00 2.22 H new ATOM 0 HZ1 LYS A 2 -11.154 25.370 3.860 1.00 44.21 H new ATOM 0 HZ2 LYS A 2 -12.718 24.709 3.859 1.00 44.21 H new ATOM 0 HZ3 LYS A 2 -11.368 23.696 4.048 1.00 44.21 H new ATOM 40 N LYS A 3 -11.267 20.491 -2.643 1.00 31.40 N ATOM 41 CA LYS A 3 -10.820 19.515 -3.630 1.00 60.31 C ATOM 42 C LYS A 3 -9.324 19.656 -3.896 1.00 75.14 C ATOM 43 O LYS A 3 -8.630 18.668 -4.134 1.00 65.24 O ATOM 44 CB LYS A 3 -11.600 19.684 -4.936 1.00 44.14 C ATOM 45 CG LYS A 3 -12.613 18.581 -5.187 1.00 42.03 C ATOM 46 CD LYS A 3 -12.772 18.298 -6.673 1.00 13.35 C ATOM 47 CE LYS A 3 -12.127 16.977 -7.060 1.00 20.54 C ATOM 48 NZ LYS A 3 -11.596 17.006 -8.451 1.00 13.11 N ATOM 0 H LYS A 3 -10.532 21.106 -2.295 1.00 31.40 H new ATOM 0 HA LYS A 3 -11.008 18.519 -3.229 1.00 60.31 H new ATOM 0 HB2 LYS A 3 -12.117 20.643 -4.919 1.00 44.14 H new ATOM 0 HB3 LYS A 3 -10.896 19.716 -5.768 1.00 44.14 H new ATOM 0 HG2 LYS A 3 -12.298 17.672 -4.674 1.00 42.03 H new ATOM 0 HG3 LYS A 3 -13.576 18.867 -4.765 1.00 42.03 H new ATOM 0 HD2 LYS A 3 -13.831 18.276 -6.929 1.00 13.35 H new ATOM 0 HD3 LYS A 3 -12.322 19.107 -7.249 1.00 13.35 H new ATOM 0 HE2 LYS A 3 -11.317 16.751 -6.367 1.00 20.54 H new ATOM 0 HE3 LYS A 3 -12.859 16.174 -6.967 1.00 20.54 H new ATOM 0 HZ1 LYS A 3 -11.164 16.087 -8.677 1.00 13.11 H new ATOM 0 HZ2 LYS A 3 -12.373 17.196 -9.115 1.00 13.11 H new ATOM 0 HZ3 LYS A 3 -10.879 17.755 -8.533 1.00 13.11 H new ATOM 62 N LEU A 4 -8.836 20.891 -3.853 1.00 1.04 N ATOM 63 CA LEU A 4 -7.421 21.162 -4.088 1.00 31.13 C ATOM 64 C LEU A 4 -6.544 20.276 -3.209 1.00 71.14 C ATOM 65 O LEU A 4 -5.800 19.432 -3.710 1.00 32.44 O ATOM 66 CB LEU A 4 -7.112 22.636 -3.816 1.00 34.33 C ATOM 67 CG LEU A 4 -7.217 23.577 -5.017 1.00 31.15 C ATOM 68 CD1 LEU A 4 -6.146 23.250 -6.046 1.00 15.51 C ATOM 69 CD2 LEU A 4 -8.603 23.491 -5.640 1.00 43.41 C ATOM 0 H LEU A 4 -9.398 21.720 -3.658 1.00 1.04 H new ATOM 0 HA LEU A 4 -7.201 20.938 -5.132 1.00 31.13 H new ATOM 0 HB2 LEU A 4 -7.791 22.992 -3.041 1.00 34.33 H new ATOM 0 HB3 LEU A 4 -6.102 22.706 -3.412 1.00 34.33 H new ATOM 0 HG LEU A 4 -7.058 24.598 -4.671 1.00 31.15 H new ATOM 0 HD11 LEU A 4 -6.236 23.930 -6.893 1.00 15.51 H new ATOM 0 HD12 LEU A 4 -5.161 23.362 -5.594 1.00 15.51 H new ATOM 0 HD13 LEU A 4 -6.273 22.223 -6.389 1.00 15.51 H new ATOM 0 HD21 LEU A 4 -8.661 24.167 -6.493 1.00 43.41 H new ATOM 0 HD22 LEU A 4 -8.790 22.470 -5.972 1.00 43.41 H new ATOM 0 HD23 LEU A 4 -9.352 23.775 -4.901 1.00 43.41 H new ATOM 81 N ARG A 5 -6.637 20.472 -1.899 1.00 15.23 N ATOM 82 CA ARG A 5 -5.853 19.690 -0.952 1.00 11.34 C ATOM 83 C ARG A 5 -6.376 18.260 -0.861 1.00 63.33 C ATOM 84 O ARG A 5 -5.601 17.312 -0.742 1.00 33.10 O ATOM 85 CB ARG A 5 -5.885 20.344 0.432 1.00 53.21 C ATOM 86 CG ARG A 5 -7.289 20.651 0.928 1.00 64.01 C ATOM 87 CD ARG A 5 -7.275 21.138 2.369 1.00 72.41 C ATOM 88 NE ARG A 5 -7.792 22.499 2.491 1.00 44.44 N ATOM 89 CZ ARG A 5 -7.606 23.262 3.562 1.00 4.03 C ATOM 90 NH1 ARG A 5 -6.919 22.799 4.598 1.00 54.25 N ATOM 91 NH2 ARG A 5 -8.105 24.490 3.598 1.00 40.35 N ATOM 0 H ARG A 5 -7.248 21.166 -1.469 1.00 15.23 H new ATOM 0 HA ARG A 5 -4.824 19.660 -1.310 1.00 11.34 H new ATOM 0 HB2 ARG A 5 -5.392 19.686 1.147 1.00 53.21 H new ATOM 0 HB3 ARG A 5 -5.309 21.269 0.401 1.00 53.21 H new ATOM 0 HG2 ARG A 5 -7.744 21.409 0.291 1.00 64.01 H new ATOM 0 HG3 ARG A 5 -7.907 19.757 0.851 1.00 64.01 H new ATOM 0 HD2 ARG A 5 -7.873 20.466 2.985 1.00 72.41 H new ATOM 0 HD3 ARG A 5 -6.256 21.101 2.754 1.00 72.41 H new ATOM 0 HE ARG A 5 -8.325 22.884 1.711 1.00 44.44 H new ATOM 0 HH11 ARG A 5 -6.532 21.855 4.573 1.00 54.25 H new ATOM 0 HH12 ARG A 5 -6.777 23.387 5.420 1.00 54.25 H new ATOM 0 HH21 ARG A 5 -8.632 24.850 2.803 1.00 40.35 H new ATOM 0 HH22 ARG A 5 -7.961 25.075 4.421 1.00 40.35 H new ATOM 105 N GLU A 6 -7.697 18.113 -0.920 1.00 65.02 N ATOM 106 CA GLU A 6 -8.322 16.799 -0.844 1.00 33.40 C ATOM 107 C GLU A 6 -7.728 15.852 -1.884 1.00 22.01 C ATOM 108 O GLU A 6 -7.696 14.638 -1.685 1.00 33.20 O ATOM 109 CB GLU A 6 -9.834 16.916 -1.052 1.00 55.53 C ATOM 110 CG GLU A 6 -10.582 15.612 -0.827 1.00 41.45 C ATOM 111 CD GLU A 6 -11.081 14.997 -2.120 1.00 53.14 C ATOM 112 OE1 GLU A 6 -10.497 15.296 -3.184 1.00 14.55 O ATOM 113 OE2 GLU A 6 -12.055 14.217 -2.070 1.00 31.04 O ATOM 0 H GLU A 6 -8.353 18.888 -1.020 1.00 65.02 H new ATOM 0 HA GLU A 6 -8.128 16.390 0.148 1.00 33.40 H new ATOM 0 HB2 GLU A 6 -10.228 17.673 -0.374 1.00 55.53 H new ATOM 0 HB3 GLU A 6 -10.027 17.265 -2.066 1.00 55.53 H new ATOM 0 HG2 GLU A 6 -9.926 14.904 -0.321 1.00 41.45 H new ATOM 0 HG3 GLU A 6 -11.428 15.792 -0.164 1.00 41.45 H new ATOM 121 N GLU A 7 -7.259 16.418 -2.991 1.00 5.21 N ATOM 122 CA GLU A 7 -6.666 15.625 -4.062 1.00 35.34 C ATOM 123 C GLU A 7 -5.521 14.766 -3.534 1.00 12.03 C ATOM 124 O GLU A 7 -5.253 13.683 -4.053 1.00 44.53 O ATOM 125 CB GLU A 7 -6.160 16.536 -5.182 1.00 74.23 C ATOM 126 CG GLU A 7 -7.261 17.041 -6.100 1.00 71.00 C ATOM 127 CD GLU A 7 -7.119 16.526 -7.519 1.00 71.13 C ATOM 128 OE1 GLU A 7 -6.022 16.675 -8.097 1.00 14.42 O ATOM 129 OE2 GLU A 7 -8.105 15.974 -8.052 1.00 3.34 O ATOM 0 H GLU A 7 -7.278 17.422 -3.170 1.00 5.21 H new ATOM 0 HA GLU A 7 -7.438 14.966 -4.460 1.00 35.34 H new ATOM 0 HB2 GLU A 7 -5.647 17.390 -4.740 1.00 74.23 H new ATOM 0 HB3 GLU A 7 -5.424 15.994 -5.775 1.00 74.23 H new ATOM 0 HG2 GLU A 7 -8.229 16.736 -5.702 1.00 71.00 H new ATOM 0 HG3 GLU A 7 -7.249 18.131 -6.110 1.00 71.00 H new ATOM 137 N ALA A 8 -4.850 15.258 -2.497 1.00 50.40 N ATOM 138 CA ALA A 8 -3.736 14.536 -1.897 1.00 41.31 C ATOM 139 C ALA A 8 -4.230 13.382 -1.033 1.00 32.31 C ATOM 140 O ALA A 8 -3.545 12.370 -0.880 1.00 72.11 O ATOM 141 CB ALA A 8 -2.876 15.483 -1.073 1.00 40.51 C ATOM 0 H ALA A 8 -5.059 16.154 -2.056 1.00 50.40 H new ATOM 0 HA ALA A 8 -3.131 14.119 -2.702 1.00 41.31 H new ATOM 0 HB1 ALA A 8 -2.047 14.930 -0.630 1.00 40.51 H new ATOM 0 HB2 ALA A 8 -2.484 16.271 -1.716 1.00 40.51 H new ATOM 0 HB3 ALA A 8 -3.480 15.927 -0.281 1.00 40.51 H new ATOM 147 N ALA A 9 -5.423 13.539 -0.470 1.00 14.14 N ATOM 148 CA ALA A 9 -6.011 12.509 0.378 1.00 5.53 C ATOM 149 C ALA A 9 -6.408 11.284 -0.440 1.00 50.43 C ATOM 150 O ALA A 9 -6.273 10.149 0.016 1.00 41.34 O ATOM 151 CB ALA A 9 -7.216 13.062 1.124 1.00 60.12 C ATOM 0 H ALA A 9 -6.002 14.371 -0.586 1.00 14.14 H new ATOM 0 HA ALA A 9 -5.260 12.200 1.105 1.00 5.53 H new ATOM 0 HB1 ALA A 9 -7.644 12.281 1.753 1.00 60.12 H new ATOM 0 HB2 ALA A 9 -6.905 13.900 1.747 1.00 60.12 H new ATOM 0 HB3 ALA A 9 -7.964 13.401 0.407 1.00 60.12 H new ATOM 157 N LYS A 10 -6.898 11.523 -1.652 1.00 40.34 N ATOM 158 CA LYS A 10 -7.314 10.441 -2.536 1.00 53.11 C ATOM 159 C LYS A 10 -6.173 9.456 -2.765 1.00 65.11 C ATOM 160 O LYS A 10 -6.401 8.279 -3.048 1.00 53.11 O ATOM 161 CB LYS A 10 -7.794 11.005 -3.875 1.00 24.21 C ATOM 162 CG LYS A 10 -8.793 12.139 -3.735 1.00 13.31 C ATOM 163 CD LYS A 10 -9.680 12.257 -4.963 1.00 33.32 C ATOM 164 CE LYS A 10 -9.155 13.306 -5.932 1.00 14.04 C ATOM 165 NZ LYS A 10 -9.605 13.048 -7.327 1.00 35.53 N ATOM 0 H LYS A 10 -7.017 12.457 -2.044 1.00 40.34 H new ATOM 0 HA LYS A 10 -8.137 9.910 -2.057 1.00 53.11 H new ATOM 0 HB2 LYS A 10 -6.932 11.359 -4.440 1.00 24.21 H new ATOM 0 HB3 LYS A 10 -8.248 10.202 -4.456 1.00 24.21 H new ATOM 0 HG2 LYS A 10 -9.412 11.973 -2.853 1.00 13.31 H new ATOM 0 HG3 LYS A 10 -8.260 13.077 -3.579 1.00 13.31 H new ATOM 0 HD2 LYS A 10 -9.737 11.292 -5.466 1.00 33.32 H new ATOM 0 HD3 LYS A 10 -10.693 12.517 -4.657 1.00 33.32 H new ATOM 0 HE2 LYS A 10 -9.495 14.293 -5.618 1.00 14.04 H new ATOM 0 HE3 LYS A 10 -8.066 13.318 -5.898 1.00 14.04 H new ATOM 0 HZ1 LYS A 10 -9.226 13.785 -7.956 1.00 35.53 H new ATOM 0 HZ2 LYS A 10 -9.260 12.117 -7.637 1.00 35.53 H new ATOM 0 HZ3 LYS A 10 -10.644 13.062 -7.365 1.00 35.53 H new ATOM 179 N LEU A 11 -4.944 9.943 -2.641 1.00 43.23 N ATOM 180 CA LEU A 11 -3.765 9.106 -2.835 1.00 14.35 C ATOM 181 C LEU A 11 -3.846 7.846 -1.978 1.00 12.40 C ATOM 182 O LEU A 11 -3.576 6.743 -2.452 1.00 20.23 O ATOM 183 CB LEU A 11 -2.496 9.889 -2.491 1.00 20.13 C ATOM 184 CG LEU A 11 -2.294 11.203 -3.246 1.00 14.10 C ATOM 185 CD1 LEU A 11 -1.086 11.950 -2.703 1.00 2.25 C ATOM 186 CD2 LEU A 11 -2.138 10.943 -4.737 1.00 41.23 C ATOM 0 H LEU A 11 -4.737 10.914 -2.407 1.00 43.23 H new ATOM 0 HA LEU A 11 -3.729 8.810 -3.883 1.00 14.35 H new ATOM 0 HB2 LEU A 11 -2.504 10.104 -1.423 1.00 20.13 H new ATOM 0 HB3 LEU A 11 -1.635 9.248 -2.680 1.00 20.13 H new ATOM 0 HG LEU A 11 -3.177 11.825 -3.097 1.00 14.10 H new ATOM 0 HD11 LEU A 11 -0.958 12.883 -3.252 1.00 2.25 H new ATOM 0 HD12 LEU A 11 -1.239 12.169 -1.646 1.00 2.25 H new ATOM 0 HD13 LEU A 11 -0.194 11.334 -2.821 1.00 2.25 H new ATOM 0 HD21 LEU A 11 -1.995 11.889 -5.258 1.00 41.23 H new ATOM 0 HD22 LEU A 11 -1.273 10.302 -4.906 1.00 41.23 H new ATOM 0 HD23 LEU A 11 -3.034 10.451 -5.116 1.00 41.23 H new ATOM 198 N PHE A 12 -4.222 8.018 -0.716 1.00 53.41 N ATOM 199 CA PHE A 12 -4.340 6.896 0.207 1.00 34.43 C ATOM 200 C PHE A 12 -5.576 6.059 -0.110 1.00 75.11 C ATOM 201 O PHE A 12 -5.616 4.861 0.169 1.00 51.32 O ATOM 202 CB PHE A 12 -4.409 7.399 1.651 1.00 4.12 C ATOM 203 CG PHE A 12 -3.145 8.065 2.113 1.00 3.43 C ATOM 204 CD1 PHE A 12 -1.909 7.498 1.846 1.00 60.30 C ATOM 205 CD2 PHE A 12 -3.193 9.260 2.815 1.00 4.33 C ATOM 206 CE1 PHE A 12 -0.745 8.110 2.271 1.00 32.35 C ATOM 207 CE2 PHE A 12 -2.031 9.875 3.243 1.00 44.04 C ATOM 208 CZ PHE A 12 -0.806 9.300 2.969 1.00 1.23 C ATOM 0 H PHE A 12 -4.451 8.925 -0.308 1.00 53.41 H new ATOM 0 HA PHE A 12 -3.457 6.268 0.090 1.00 34.43 H new ATOM 0 HB2 PHE A 12 -5.236 8.103 1.743 1.00 4.12 H new ATOM 0 HB3 PHE A 12 -4.630 6.559 2.310 1.00 4.12 H new ATOM 0 HD1 PHE A 12 -1.855 6.568 1.300 1.00 60.30 H new ATOM 0 HD2 PHE A 12 -4.149 9.715 3.030 1.00 4.33 H new ATOM 0 HE1 PHE A 12 0.212 7.658 2.057 1.00 32.35 H new ATOM 0 HE2 PHE A 12 -2.081 10.804 3.791 1.00 44.04 H new ATOM 0 HZ PHE A 12 0.103 9.780 3.300 1.00 1.23 H new ATOM 218 N GLU A 13 -6.584 6.700 -0.696 1.00 11.04 N ATOM 219 CA GLU A 13 -7.822 6.015 -1.049 1.00 45.21 C ATOM 220 C GLU A 13 -7.547 4.851 -1.997 1.00 51.22 C ATOM 221 O GLU A 13 -8.185 3.803 -1.909 1.00 3.03 O ATOM 222 CB GLU A 13 -8.804 6.993 -1.696 1.00 13.10 C ATOM 223 CG GLU A 13 -10.195 6.952 -1.085 1.00 65.43 C ATOM 224 CD GLU A 13 -11.250 7.550 -1.996 1.00 14.53 C ATOM 225 OE1 GLU A 13 -12.205 6.828 -2.351 1.00 21.24 O ATOM 226 OE2 GLU A 13 -11.122 8.740 -2.352 1.00 2.52 O ATOM 0 H GLU A 13 -6.567 7.691 -0.936 1.00 11.04 H new ATOM 0 HA GLU A 13 -8.264 5.620 -0.134 1.00 45.21 H new ATOM 0 HB2 GLU A 13 -8.407 8.004 -1.608 1.00 13.10 H new ATOM 0 HB3 GLU A 13 -8.877 6.771 -2.761 1.00 13.10 H new ATOM 0 HG2 GLU A 13 -10.458 5.919 -0.859 1.00 65.43 H new ATOM 0 HG3 GLU A 13 -10.188 7.493 -0.139 1.00 65.43 H new ATOM 234 N GLU A 14 -6.595 5.046 -2.904 1.00 24.22 N ATOM 235 CA GLU A 14 -6.238 4.012 -3.869 1.00 44.25 C ATOM 236 C GLU A 14 -5.423 2.906 -3.205 1.00 72.12 C ATOM 237 O GLU A 14 -5.546 1.733 -3.558 1.00 73.21 O ATOM 238 CB GLU A 14 -5.444 4.620 -5.028 1.00 23.42 C ATOM 239 CG GLU A 14 -6.156 5.771 -5.717 1.00 35.42 C ATOM 240 CD GLU A 14 -5.836 5.855 -7.197 1.00 2.54 C ATOM 241 OE1 GLU A 14 -6.457 5.107 -7.981 1.00 10.23 O ATOM 242 OE2 GLU A 14 -4.964 6.666 -7.570 1.00 52.14 O ATOM 0 H GLU A 14 -6.058 5.909 -2.991 1.00 24.22 H new ATOM 0 HA GLU A 14 -7.159 3.577 -4.256 1.00 44.25 H new ATOM 0 HB2 GLU A 14 -4.482 4.971 -4.654 1.00 23.42 H new ATOM 0 HB3 GLU A 14 -5.235 3.842 -5.762 1.00 23.42 H new ATOM 0 HG2 GLU A 14 -7.232 5.656 -5.588 1.00 35.42 H new ATOM 0 HG3 GLU A 14 -5.875 6.707 -5.235 1.00 35.42 H new ATOM 250 N TRP A 15 -4.592 3.288 -2.243 1.00 3.01 N ATOM 251 CA TRP A 15 -3.756 2.329 -1.529 1.00 31.34 C ATOM 252 C TRP A 15 -4.600 1.201 -0.945 1.00 21.31 C ATOM 253 O TRP A 15 -4.345 0.024 -1.203 1.00 51.51 O ATOM 254 CB TRP A 15 -2.977 3.030 -0.415 1.00 32.43 C ATOM 255 CG TRP A 15 -1.841 3.865 -0.919 1.00 3.10 C ATOM 256 CD1 TRP A 15 -1.749 4.476 -2.138 1.00 35.14 C ATOM 257 CD2 TRP A 15 -0.632 4.181 -0.219 1.00 65.51 C ATOM 258 NE1 TRP A 15 -0.557 5.152 -2.237 1.00 74.54 N ATOM 259 CE2 TRP A 15 0.146 4.988 -1.074 1.00 31.24 C ATOM 260 CE3 TRP A 15 -0.132 3.862 1.046 1.00 12.22 C ATOM 261 CZ2 TRP A 15 1.394 5.477 -0.701 1.00 45.05 C ATOM 262 CZ3 TRP A 15 1.108 4.349 1.413 1.00 13.54 C ATOM 263 CH2 TRP A 15 1.860 5.149 0.544 1.00 42.11 C ATOM 0 H TRP A 15 -4.479 4.255 -1.939 1.00 3.01 H new ATOM 0 HA TRP A 15 -3.050 1.899 -2.240 1.00 31.34 H new ATOM 0 HB2 TRP A 15 -3.659 3.663 0.153 1.00 32.43 H new ATOM 0 HB3 TRP A 15 -2.589 2.280 0.274 1.00 32.43 H new ATOM 0 HD1 TRP A 15 -2.503 4.434 -2.910 1.00 35.14 H new ATOM 0 HE1 TRP A 15 -0.246 5.689 -3.046 1.00 74.54 H new ATOM 0 HE3 TRP A 15 -0.704 3.246 1.724 1.00 12.22 H new ATOM 0 HZ2 TRP A 15 1.975 6.094 -1.370 1.00 45.05 H new ATOM 0 HZ3 TRP A 15 1.505 4.108 2.388 1.00 13.54 H new ATOM 0 HH2 TRP A 15 2.826 5.514 0.862 1.00 42.11 H new ATOM 274 N LYS A 16 -5.605 1.567 -0.158 1.00 31.32 N ATOM 275 CA LYS A 16 -6.488 0.586 0.461 1.00 34.01 C ATOM 276 C LYS A 16 -7.378 -0.083 -0.583 1.00 2.33 C ATOM 277 O LYS A 16 -7.852 -1.202 -0.385 1.00 5.20 O ATOM 278 CB LYS A 16 -7.355 1.253 1.533 1.00 64.11 C ATOM 279 CG LYS A 16 -8.249 2.355 0.991 1.00 0.34 C ATOM 280 CD LYS A 16 -9.702 2.131 1.373 1.00 73.23 C ATOM 281 CE LYS A 16 -10.554 3.355 1.065 1.00 22.45 C ATOM 282 NZ LYS A 16 -11.850 3.325 1.797 1.00 13.02 N ATOM 0 H LYS A 16 -5.829 2.536 0.067 1.00 31.32 H new ATOM 0 HA LYS A 16 -5.867 -0.179 0.928 1.00 34.01 H new ATOM 0 HB2 LYS A 16 -7.976 0.495 2.011 1.00 64.11 H new ATOM 0 HB3 LYS A 16 -6.708 1.668 2.306 1.00 64.11 H new ATOM 0 HG2 LYS A 16 -7.915 3.318 1.376 1.00 0.34 H new ATOM 0 HG3 LYS A 16 -8.159 2.397 -0.094 1.00 0.34 H new ATOM 0 HD2 LYS A 16 -10.093 1.269 0.833 1.00 73.23 H new ATOM 0 HD3 LYS A 16 -9.768 1.898 2.436 1.00 73.23 H new ATOM 0 HE2 LYS A 16 -10.005 4.257 1.335 1.00 22.45 H new ATOM 0 HE3 LYS A 16 -10.743 3.406 -0.007 1.00 22.45 H new ATOM 0 HZ1 LYS A 16 -12.402 4.175 1.561 1.00 13.02 H new ATOM 0 HZ2 LYS A 16 -12.385 2.477 1.521 1.00 13.02 H new ATOM 0 HZ3 LYS A 16 -11.670 3.302 2.821 1.00 13.02 H new ATOM 296 N LYS A 17 -7.599 0.609 -1.694 1.00 44.22 N ATOM 297 CA LYS A 17 -8.428 0.083 -2.772 1.00 61.31 C ATOM 298 C LYS A 17 -7.733 -1.078 -3.476 1.00 20.03 C ATOM 299 O LYS A 17 -8.304 -2.159 -3.625 1.00 30.32 O ATOM 300 CB LYS A 17 -8.750 1.186 -3.782 1.00 53.53 C ATOM 301 CG LYS A 17 -10.238 1.448 -3.944 1.00 15.22 C ATOM 302 CD LYS A 17 -10.508 2.873 -4.398 1.00 25.54 C ATOM 303 CE LYS A 17 -11.657 3.498 -3.621 1.00 44.12 C ATOM 304 NZ LYS A 17 -12.660 4.127 -4.523 1.00 63.54 N ATOM 0 H LYS A 17 -7.215 1.537 -1.872 1.00 44.22 H new ATOM 0 HA LYS A 17 -9.357 -0.283 -2.335 1.00 61.31 H new ATOM 0 HB2 LYS A 17 -8.259 2.108 -3.469 1.00 53.53 H new ATOM 0 HB3 LYS A 17 -8.330 0.914 -4.750 1.00 53.53 H new ATOM 0 HG2 LYS A 17 -10.654 0.749 -4.669 1.00 15.22 H new ATOM 0 HG3 LYS A 17 -10.746 1.265 -2.997 1.00 15.22 H new ATOM 0 HD2 LYS A 17 -9.609 3.474 -4.266 1.00 25.54 H new ATOM 0 HD3 LYS A 17 -10.742 2.879 -5.463 1.00 25.54 H new ATOM 0 HE2 LYS A 17 -12.143 2.734 -3.014 1.00 44.12 H new ATOM 0 HE3 LYS A 17 -11.265 4.248 -2.934 1.00 44.12 H new ATOM 0 HZ1 LYS A 17 -13.426 4.541 -3.955 1.00 63.54 H new ATOM 0 HZ2 LYS A 17 -12.202 4.874 -5.084 1.00 63.54 H new ATOM 0 HZ3 LYS A 17 -13.053 3.406 -5.161 1.00 63.54 H new ATOM 318 N LEU A 18 -6.498 -0.847 -3.907 1.00 20.15 N ATOM 319 CA LEU A 18 -5.723 -1.875 -4.594 1.00 34.52 C ATOM 320 C LEU A 18 -5.635 -3.144 -3.752 1.00 65.32 C ATOM 321 O LEU A 18 -5.632 -4.254 -4.284 1.00 2.23 O ATOM 322 CB LEU A 18 -4.318 -1.358 -4.909 1.00 35.14 C ATOM 323 CG LEU A 18 -4.245 -0.083 -5.749 1.00 21.01 C ATOM 324 CD1 LEU A 18 -3.065 0.774 -5.317 1.00 22.42 C ATOM 325 CD2 LEU A 18 -4.146 -0.424 -7.228 1.00 61.22 C ATOM 0 H LEU A 18 -6.012 0.042 -3.793 1.00 20.15 H new ATOM 0 HA LEU A 18 -6.232 -2.116 -5.528 1.00 34.52 H new ATOM 0 HB2 LEU A 18 -3.799 -1.179 -3.967 1.00 35.14 H new ATOM 0 HB3 LEU A 18 -3.772 -2.144 -5.430 1.00 35.14 H new ATOM 0 HG LEU A 18 -5.160 0.488 -5.589 1.00 21.01 H new ATOM 0 HD11 LEU A 18 -3.029 1.677 -5.926 1.00 22.42 H new ATOM 0 HD12 LEU A 18 -3.179 1.048 -4.268 1.00 22.42 H new ATOM 0 HD13 LEU A 18 -2.140 0.212 -5.447 1.00 22.42 H new ATOM 0 HD21 LEU A 18 -4.095 0.496 -7.811 1.00 61.22 H new ATOM 0 HD22 LEU A 18 -3.248 -1.016 -7.406 1.00 61.22 H new ATOM 0 HD23 LEU A 18 -5.024 -0.996 -7.529 1.00 61.22 H new ATOM 337 N ALA A 19 -5.563 -2.972 -2.437 1.00 74.11 N ATOM 338 CA ALA A 19 -5.478 -4.102 -1.522 1.00 32.42 C ATOM 339 C ALA A 19 -6.709 -4.996 -1.638 1.00 24.23 C ATOM 340 O ALA A 19 -6.619 -6.213 -1.483 1.00 32.15 O ATOM 341 CB ALA A 19 -5.313 -3.612 -0.091 1.00 30.54 C ATOM 0 H ALA A 19 -5.562 -2.060 -1.981 1.00 74.11 H new ATOM 0 HA ALA A 19 -4.604 -4.693 -1.795 1.00 32.42 H new ATOM 0 HB1 ALA A 19 -5.251 -4.467 0.582 1.00 30.54 H new ATOM 0 HB2 ALA A 19 -4.401 -3.021 -0.012 1.00 30.54 H new ATOM 0 HB3 ALA A 19 -6.169 -2.996 0.184 1.00 30.54 H new ATOM 347 N GLU A 20 -7.857 -4.383 -1.911 1.00 11.44 N ATOM 348 CA GLU A 20 -9.105 -5.124 -2.045 1.00 30.33 C ATOM 349 C GLU A 20 -8.990 -6.189 -3.132 1.00 73.22 C ATOM 350 O GLU A 20 -9.340 -7.350 -2.918 1.00 13.40 O ATOM 351 CB GLU A 20 -10.257 -4.172 -2.368 1.00 54.31 C ATOM 352 CG GLU A 20 -10.324 -2.963 -1.450 1.00 3.31 C ATOM 353 CD GLU A 20 -11.639 -2.869 -0.702 1.00 14.34 C ATOM 354 OE1 GLU A 20 -12.036 -3.873 -0.075 1.00 35.33 O ATOM 355 OE2 GLU A 20 -12.270 -1.792 -0.743 1.00 62.21 O ATOM 0 H GLU A 20 -7.948 -3.376 -2.044 1.00 11.44 H new ATOM 0 HA GLU A 20 -9.308 -5.619 -1.095 1.00 30.33 H new ATOM 0 HB2 GLU A 20 -10.157 -3.830 -3.398 1.00 54.31 H new ATOM 0 HB3 GLU A 20 -11.198 -4.719 -2.304 1.00 54.31 H new ATOM 0 HG2 GLU A 20 -9.505 -3.011 -0.732 1.00 3.31 H new ATOM 0 HG3 GLU A 20 -10.180 -2.057 -2.038 1.00 3.31 H new ATOM 363 N GLU A 21 -8.500 -5.784 -4.299 1.00 44.31 N ATOM 364 CA GLU A 21 -8.341 -6.703 -5.421 1.00 4.40 C ATOM 365 C GLU A 21 -7.159 -7.642 -5.192 1.00 54.31 C ATOM 366 O GLU A 21 -7.281 -8.857 -5.339 1.00 21.23 O ATOM 367 CB GLU A 21 -8.142 -5.924 -6.723 1.00 53.33 C ATOM 368 CG GLU A 21 -9.213 -4.875 -6.974 1.00 34.54 C ATOM 369 CD GLU A 21 -10.098 -5.217 -8.157 1.00 45.13 C ATOM 370 OE1 GLU A 21 -9.655 -5.012 -9.307 1.00 12.14 O ATOM 371 OE2 GLU A 21 -11.232 -5.688 -7.934 1.00 33.00 O ATOM 0 H GLU A 21 -8.206 -4.827 -4.493 1.00 44.31 H new ATOM 0 HA GLU A 21 -9.249 -7.301 -5.499 1.00 4.40 H new ATOM 0 HB2 GLU A 21 -7.167 -5.437 -6.700 1.00 53.33 H new ATOM 0 HB3 GLU A 21 -8.129 -6.625 -7.558 1.00 53.33 H new ATOM 0 HG2 GLU A 21 -9.830 -4.770 -6.082 1.00 34.54 H new ATOM 0 HG3 GLU A 21 -8.737 -3.910 -7.148 1.00 34.54 H new ATOM 379 N ALA A 22 -6.016 -7.067 -4.832 1.00 31.23 N ATOM 380 CA ALA A 22 -4.813 -7.851 -4.582 1.00 41.23 C ATOM 381 C ALA A 22 -5.066 -8.924 -3.527 1.00 52.42 C ATOM 382 O ALA A 22 -4.455 -9.991 -3.554 1.00 44.35 O ATOM 383 CB ALA A 22 -3.671 -6.943 -4.150 1.00 44.44 C ATOM 0 H ALA A 22 -5.898 -6.062 -4.707 1.00 31.23 H new ATOM 0 HA ALA A 22 -4.535 -8.349 -5.511 1.00 41.23 H new ATOM 0 HB1 ALA A 22 -2.779 -7.542 -3.967 1.00 44.44 H new ATOM 0 HB2 ALA A 22 -3.465 -6.217 -4.937 1.00 44.44 H new ATOM 0 HB3 ALA A 22 -3.949 -6.418 -3.236 1.00 44.44 H new ATOM 389 N ALA A 23 -5.970 -8.630 -2.598 1.00 20.14 N ATOM 390 CA ALA A 23 -6.305 -9.570 -1.536 1.00 2.45 C ATOM 391 C ALA A 23 -7.093 -10.757 -2.079 1.00 2.43 C ATOM 392 O ALA A 23 -6.714 -11.912 -1.879 1.00 13.23 O ATOM 393 CB ALA A 23 -7.093 -8.869 -0.439 1.00 40.25 C ATOM 0 H ALA A 23 -6.483 -7.749 -2.560 1.00 20.14 H new ATOM 0 HA ALA A 23 -5.374 -9.949 -1.115 1.00 2.45 H new ATOM 0 HB1 ALA A 23 -7.336 -9.583 0.347 1.00 40.25 H new ATOM 0 HB2 ALA A 23 -6.494 -8.060 -0.021 1.00 40.25 H new ATOM 0 HB3 ALA A 23 -8.014 -8.461 -0.856 1.00 40.25 H new ATOM 399 N LYS A 24 -8.190 -10.466 -2.768 1.00 75.53 N ATOM 400 CA LYS A 24 -9.032 -11.509 -3.343 1.00 32.12 C ATOM 401 C LYS A 24 -8.267 -12.312 -4.389 1.00 71.03 C ATOM 402 O LYS A 24 -8.470 -13.518 -4.531 1.00 64.21 O ATOM 403 CB LYS A 24 -10.284 -10.893 -3.973 1.00 15.25 C ATOM 404 CG LYS A 24 -9.981 -9.814 -4.997 1.00 61.33 C ATOM 405 CD LYS A 24 -11.255 -9.232 -5.586 1.00 61.43 C ATOM 406 CE LYS A 24 -12.034 -8.435 -4.552 1.00 52.44 C ATOM 407 NZ LYS A 24 -13.416 -8.958 -4.372 1.00 61.51 N ATOM 0 H LYS A 24 -8.518 -9.516 -2.942 1.00 75.53 H new ATOM 0 HA LYS A 24 -9.330 -12.183 -2.540 1.00 32.12 H new ATOM 0 HB2 LYS A 24 -10.866 -11.682 -4.450 1.00 15.25 H new ATOM 0 HB3 LYS A 24 -10.906 -10.470 -3.185 1.00 15.25 H new ATOM 0 HG2 LYS A 24 -9.399 -9.020 -4.529 1.00 61.33 H new ATOM 0 HG3 LYS A 24 -9.367 -10.231 -5.795 1.00 61.33 H new ATOM 0 HD2 LYS A 24 -11.006 -8.589 -6.430 1.00 61.43 H new ATOM 0 HD3 LYS A 24 -11.880 -10.038 -5.972 1.00 61.43 H new ATOM 0 HE2 LYS A 24 -11.507 -8.466 -3.598 1.00 52.44 H new ATOM 0 HE3 LYS A 24 -12.079 -7.390 -4.858 1.00 52.44 H new ATOM 0 HZ1 LYS A 24 -13.913 -8.387 -3.659 1.00 61.51 H new ATOM 0 HZ2 LYS A 24 -13.928 -8.905 -5.276 1.00 61.51 H new ATOM 0 HZ3 LYS A 24 -13.374 -9.948 -4.055 1.00 61.51 H new ATOM 421 N LEU A 25 -7.385 -11.636 -5.119 1.00 35.42 N ATOM 422 CA LEU A 25 -6.588 -12.288 -6.151 1.00 61.04 C ATOM 423 C LEU A 25 -5.451 -13.096 -5.534 1.00 54.33 C ATOM 424 O LEU A 25 -5.132 -14.191 -5.995 1.00 31.21 O ATOM 425 CB LEU A 25 -6.022 -11.246 -7.119 1.00 14.52 C ATOM 426 CG LEU A 25 -6.767 -11.086 -8.445 1.00 14.55 C ATOM 427 CD1 LEU A 25 -6.098 -10.029 -9.308 1.00 44.12 C ATOM 428 CD2 LEU A 25 -6.835 -12.415 -9.182 1.00 10.23 C ATOM 0 H LEU A 25 -7.205 -10.638 -5.015 1.00 35.42 H new ATOM 0 HA LEU A 25 -7.237 -12.971 -6.699 1.00 61.04 H new ATOM 0 HB2 LEU A 25 -6.009 -10.280 -6.614 1.00 14.52 H new ATOM 0 HB3 LEU A 25 -4.986 -11.506 -7.337 1.00 14.52 H new ATOM 0 HG LEU A 25 -7.785 -10.760 -8.231 1.00 14.55 H new ATOM 0 HD11 LEU A 25 -6.642 -9.929 -10.247 1.00 44.12 H new ATOM 0 HD12 LEU A 25 -6.102 -9.074 -8.783 1.00 44.12 H new ATOM 0 HD13 LEU A 25 -5.069 -10.325 -9.514 1.00 44.12 H new ATOM 0 HD21 LEU A 25 -7.369 -12.282 -10.123 1.00 10.23 H new ATOM 0 HD22 LEU A 25 -5.825 -12.771 -9.385 1.00 10.23 H new ATOM 0 HD23 LEU A 25 -7.360 -13.146 -8.567 1.00 10.23 H new ATOM 440 N LEU A 26 -4.845 -12.548 -4.486 1.00 14.30 N ATOM 441 CA LEU A 26 -3.745 -13.218 -3.802 1.00 14.13 C ATOM 442 C LEU A 26 -4.118 -14.655 -3.450 1.00 45.41 C ATOM 443 O LEU A 26 -3.370 -15.588 -3.739 1.00 2.14 O ATOM 444 CB LEU A 26 -3.365 -12.452 -2.533 1.00 45.04 C ATOM 445 CG LEU A 26 -2.160 -11.517 -2.650 1.00 5.01 C ATOM 446 CD1 LEU A 26 -2.183 -10.475 -1.542 1.00 21.50 C ATOM 447 CD2 LEU A 26 -0.862 -12.312 -2.610 1.00 34.31 C ATOM 0 H LEU A 26 -5.097 -11.642 -4.092 1.00 14.30 H new ATOM 0 HA LEU A 26 -2.889 -13.239 -4.476 1.00 14.13 H new ATOM 0 HB2 LEU A 26 -4.226 -11.864 -2.215 1.00 45.04 H new ATOM 0 HB3 LEU A 26 -3.163 -13.175 -1.743 1.00 45.04 H new ATOM 0 HG LEU A 26 -2.217 -11.000 -3.608 1.00 5.01 H new ATOM 0 HD11 LEU A 26 -1.318 -9.819 -1.642 1.00 21.50 H new ATOM 0 HD12 LEU A 26 -3.097 -9.885 -1.616 1.00 21.50 H new ATOM 0 HD13 LEU A 26 -2.151 -10.973 -0.573 1.00 21.50 H new ATOM 0 HD21 LEU A 26 -0.015 -11.631 -2.694 1.00 34.31 H new ATOM 0 HD22 LEU A 26 -0.797 -12.856 -1.668 1.00 34.31 H new ATOM 0 HD23 LEU A 26 -0.843 -13.019 -3.439 1.00 34.31 H new ATOM 459 N GLU A 27 -5.279 -14.823 -2.826 1.00 20.34 N ATOM 460 CA GLU A 27 -5.751 -16.147 -2.435 1.00 63.33 C ATOM 461 C GLU A 27 -6.605 -16.767 -3.539 1.00 43.31 C ATOM 462 O GLU A 27 -7.278 -17.774 -3.324 1.00 73.34 O ATOM 463 CB GLU A 27 -6.558 -16.064 -1.138 1.00 45.33 C ATOM 464 CG GLU A 27 -5.907 -15.198 -0.072 1.00 4.32 C ATOM 465 CD GLU A 27 -6.689 -15.185 1.227 1.00 54.12 C ATOM 466 OE1 GLU A 27 -6.817 -16.259 1.852 1.00 14.10 O ATOM 467 OE2 GLU A 27 -7.174 -14.103 1.617 1.00 2.53 O ATOM 0 H GLU A 27 -5.910 -14.060 -2.580 1.00 20.34 H new ATOM 0 HA GLU A 27 -4.880 -16.781 -2.272 1.00 63.33 H new ATOM 0 HB2 GLU A 27 -7.549 -15.668 -1.361 1.00 45.33 H new ATOM 0 HB3 GLU A 27 -6.698 -17.070 -0.742 1.00 45.33 H new ATOM 0 HG2 GLU A 27 -4.898 -15.562 0.120 1.00 4.32 H new ATOM 0 HG3 GLU A 27 -5.813 -14.178 -0.445 1.00 4.32 H new ATOM 475 N GLY A 28 -6.570 -16.157 -4.720 1.00 22.13 N ATOM 476 CA GLY A 28 -7.344 -16.662 -5.839 1.00 10.13 C ATOM 477 C GLY A 28 -6.971 -18.084 -6.207 1.00 64.11 C ATOM 478 O GLY A 28 -7.694 -18.752 -6.945 1.00 10.24 O ATOM 0 H GLY A 28 -6.020 -15.322 -4.922 1.00 22.13 H new ATOM 0 HA2 GLY A 28 -8.405 -16.620 -5.591 1.00 10.13 H new ATOM 0 HA3 GLY A 28 -7.193 -16.015 -6.703 1.00 10.13 H new ATOM 482 N GLY A 29 -5.836 -18.549 -5.692 1.00 42.01 N ATOM 483 CA GLY A 29 -5.387 -19.898 -5.985 1.00 1.22 C ATOM 484 C GLY A 29 -3.909 -19.958 -6.316 1.00 41.44 C ATOM 485 O GLY A 29 -3.508 -20.601 -7.285 1.00 73.20 O ATOM 0 H GLY A 29 -5.220 -18.016 -5.078 1.00 42.01 H new ATOM 0 HA2 GLY A 29 -5.590 -20.540 -5.128 1.00 1.22 H new ATOM 0 HA3 GLY A 29 -5.960 -20.294 -6.823 1.00 1.22 H new ATOM 489 N GLY A 30 -3.096 -19.283 -5.510 1.00 44.15 N ATOM 490 CA GLY A 30 -1.662 -19.274 -5.740 1.00 61.24 C ATOM 491 C GLY A 30 -0.900 -18.592 -4.622 1.00 25.24 C ATOM 492 O GLY A 30 0.004 -19.182 -4.029 1.00 51.33 O ATOM 0 H GLY A 30 -3.404 -18.742 -4.702 1.00 44.15 H new ATOM 0 HA2 GLY A 30 -1.307 -20.299 -5.844 1.00 61.24 H new ATOM 0 HA3 GLY A 30 -1.451 -18.767 -6.681 1.00 61.24 H new ATOM 496 N GLY A 31 -1.262 -17.347 -4.334 1.00 13.54 N ATOM 497 CA GLY A 31 -0.593 -16.605 -3.280 1.00 34.02 C ATOM 498 C GLY A 31 -0.637 -17.324 -1.947 1.00 21.03 C ATOM 499 O GLY A 31 -1.712 -17.637 -1.437 1.00 11.30 O ATOM 0 H GLY A 31 -2.006 -16.838 -4.811 1.00 13.54 H new ATOM 0 HA2 GLY A 31 0.446 -16.434 -3.563 1.00 34.02 H new ATOM 0 HA3 GLY A 31 -1.060 -15.626 -3.177 1.00 34.02 H new ATOM 503 N GLY A 32 0.536 -17.590 -1.381 1.00 0.34 N ATOM 504 CA GLY A 32 0.605 -18.277 -0.103 1.00 42.35 C ATOM 505 C GLY A 32 0.138 -17.408 1.048 1.00 23.42 C ATOM 506 O GLY A 32 -1.009 -16.966 1.075 1.00 0.10 O ATOM 0 H GLY A 32 1.440 -17.342 -1.784 1.00 0.34 H new ATOM 0 HA2 GLY A 32 -0.006 -19.178 -0.145 1.00 42.35 H new ATOM 0 HA3 GLY A 32 1.631 -18.596 0.080 1.00 42.35 H new ATOM 510 N GLY A 33 1.030 -17.166 2.004 1.00 23.40 N ATOM 511 CA GLY A 33 0.684 -16.349 3.152 1.00 74.35 C ATOM 512 C GLY A 33 0.204 -17.175 4.329 1.00 45.23 C ATOM 513 O GLY A 33 0.910 -18.067 4.797 1.00 4.33 O ATOM 0 H GLY A 33 1.986 -17.521 2.004 1.00 23.40 H new ATOM 0 HA2 GLY A 33 1.553 -15.764 3.453 1.00 74.35 H new ATOM 0 HA3 GLY A 33 -0.094 -15.640 2.868 1.00 74.35 H new ATOM 517 N GLY A 34 -0.998 -16.876 4.810 1.00 14.32 N ATOM 518 CA GLY A 34 -1.549 -17.605 5.937 1.00 22.30 C ATOM 519 C GLY A 34 -0.650 -17.553 7.157 1.00 61.24 C ATOM 520 O GLY A 34 0.216 -18.408 7.335 1.00 54.34 O ATOM 0 H GLY A 34 -1.601 -16.141 4.439 1.00 14.32 H new ATOM 0 HA2 GLY A 34 -2.525 -17.192 6.191 1.00 22.30 H new ATOM 0 HA3 GLY A 34 -1.708 -18.645 5.651 1.00 22.30 H new ATOM 524 N GLY A 35 -0.855 -16.544 7.999 1.00 71.34 N ATOM 525 CA GLY A 35 -0.047 -16.401 9.196 1.00 40.25 C ATOM 526 C GLY A 35 0.385 -14.968 9.436 1.00 33.43 C ATOM 527 O GLY A 35 -0.114 -14.047 8.791 1.00 53.02 O ATOM 0 H GLY A 35 -1.566 -15.824 7.873 1.00 71.34 H new ATOM 0 HA2 GLY A 35 -0.613 -16.756 10.057 1.00 40.25 H new ATOM 0 HA3 GLY A 35 0.836 -17.034 9.112 1.00 40.25 H new ATOM 531 N GLU A 36 1.313 -14.780 10.368 1.00 1.52 N ATOM 532 CA GLU A 36 1.809 -13.447 10.693 1.00 3.15 C ATOM 533 C GLU A 36 2.312 -12.734 9.442 1.00 32.01 C ATOM 534 O GLU A 36 2.226 -11.509 9.335 1.00 32.14 O ATOM 535 CB GLU A 36 2.933 -13.536 11.729 1.00 75.42 C ATOM 536 CG GLU A 36 3.647 -12.217 11.966 1.00 12.44 C ATOM 537 CD GLU A 36 4.285 -12.137 13.339 1.00 13.43 C ATOM 538 OE1 GLU A 36 5.324 -11.457 13.471 1.00 1.22 O ATOM 539 OE2 GLU A 36 3.745 -12.754 14.282 1.00 62.23 O ATOM 0 H GLU A 36 1.737 -15.532 10.911 1.00 1.52 H new ATOM 0 HA GLU A 36 0.983 -12.872 11.111 1.00 3.15 H new ATOM 0 HB2 GLU A 36 2.519 -13.890 12.673 1.00 75.42 H new ATOM 0 HB3 GLU A 36 3.660 -14.279 11.401 1.00 75.42 H new ATOM 0 HG2 GLU A 36 4.415 -12.082 11.204 1.00 12.44 H new ATOM 0 HG3 GLU A 36 2.937 -11.398 11.851 1.00 12.44 H new ATOM 547 N LEU A 37 2.836 -13.507 8.497 1.00 50.30 N ATOM 548 CA LEU A 37 3.353 -12.949 7.253 1.00 61.52 C ATOM 549 C LEU A 37 2.250 -12.239 6.474 1.00 13.33 C ATOM 550 O LEU A 37 2.356 -11.049 6.174 1.00 20.15 O ATOM 551 CB LEU A 37 3.967 -14.055 6.392 1.00 45.02 C ATOM 552 CG LEU A 37 4.720 -13.594 5.144 1.00 61.21 C ATOM 553 CD1 LEU A 37 5.875 -12.679 5.523 1.00 34.41 C ATOM 554 CD2 LEU A 37 5.225 -14.792 4.352 1.00 11.51 C ATOM 0 H LEU A 37 2.914 -14.521 8.569 1.00 50.30 H new ATOM 0 HA LEU A 37 4.123 -12.220 7.504 1.00 61.52 H new ATOM 0 HB2 LEU A 37 4.652 -14.633 7.012 1.00 45.02 H new ATOM 0 HB3 LEU A 37 3.170 -14.731 6.082 1.00 45.02 H new ATOM 0 HG LEU A 37 4.030 -13.032 4.515 1.00 61.21 H new ATOM 0 HD11 LEU A 37 6.399 -12.362 4.621 1.00 34.41 H new ATOM 0 HD12 LEU A 37 5.489 -11.804 6.046 1.00 34.41 H new ATOM 0 HD13 LEU A 37 6.566 -13.215 6.174 1.00 34.41 H new ATOM 0 HD21 LEU A 37 5.758 -14.445 3.467 1.00 11.51 H new ATOM 0 HD22 LEU A 37 5.899 -15.381 4.974 1.00 11.51 H new ATOM 0 HD23 LEU A 37 4.380 -15.409 4.047 1.00 11.51 H new ATOM 566 N MET A 38 1.191 -12.974 6.153 1.00 1.41 N ATOM 567 CA MET A 38 0.066 -12.413 5.414 1.00 62.11 C ATOM 568 C MET A 38 -0.622 -11.317 6.221 1.00 41.15 C ATOM 569 O MET A 38 -1.251 -10.420 5.658 1.00 35.23 O ATOM 570 CB MET A 38 -0.939 -13.510 5.061 1.00 61.44 C ATOM 571 CG MET A 38 -2.100 -13.021 4.210 1.00 45.24 C ATOM 572 SD MET A 38 -3.704 -13.451 4.910 1.00 34.20 S ATOM 573 CE MET A 38 -3.658 -12.534 6.449 1.00 74.34 C ATOM 0 H MET A 38 1.088 -13.960 6.393 1.00 1.41 H new ATOM 0 HA MET A 38 0.451 -11.975 4.493 1.00 62.11 H new ATOM 0 HB2 MET A 38 -0.421 -14.308 4.530 1.00 61.44 H new ATOM 0 HB3 MET A 38 -1.331 -13.942 5.982 1.00 61.44 H new ATOM 0 HG2 MET A 38 -2.034 -11.939 4.100 1.00 45.24 H new ATOM 0 HG3 MET A 38 -2.018 -13.448 3.211 1.00 45.24 H new ATOM 0 HE1 MET A 38 -4.618 -12.627 6.956 1.00 74.34 H new ATOM 0 HE2 MET A 38 -2.870 -12.934 7.087 1.00 74.34 H new ATOM 0 HE3 MET A 38 -3.458 -11.483 6.240 1.00 74.34 H new ATOM 583 N LYS A 39 -0.499 -11.394 7.541 1.00 24.11 N ATOM 584 CA LYS A 39 -1.108 -10.409 8.426 1.00 33.51 C ATOM 585 C LYS A 39 -0.638 -9.000 8.078 1.00 13.10 C ATOM 586 O LYS A 39 -1.352 -8.023 8.306 1.00 12.41 O ATOM 587 CB LYS A 39 -0.770 -10.725 9.885 1.00 43.25 C ATOM 588 CG LYS A 39 -1.666 -10.015 10.885 1.00 71.30 C ATOM 589 CD LYS A 39 -0.883 -9.027 11.733 1.00 34.44 C ATOM 590 CE LYS A 39 -1.722 -7.808 12.085 1.00 10.22 C ATOM 591 NZ LYS A 39 -2.126 -7.808 13.518 1.00 22.44 N ATOM 0 H LYS A 39 0.018 -12.130 8.022 1.00 24.11 H new ATOM 0 HA LYS A 39 -2.189 -10.456 8.291 1.00 33.51 H new ATOM 0 HB2 LYS A 39 -0.846 -11.801 10.042 1.00 43.25 H new ATOM 0 HB3 LYS A 39 0.266 -10.447 10.077 1.00 43.25 H new ATOM 0 HG2 LYS A 39 -2.461 -9.490 10.354 1.00 71.30 H new ATOM 0 HG3 LYS A 39 -2.146 -10.750 11.531 1.00 71.30 H new ATOM 0 HD2 LYS A 39 -0.548 -9.516 12.648 1.00 34.44 H new ATOM 0 HD3 LYS A 39 0.011 -8.712 11.195 1.00 34.44 H new ATOM 0 HE2 LYS A 39 -1.156 -6.902 11.867 1.00 10.22 H new ATOM 0 HE3 LYS A 39 -2.612 -7.786 11.457 1.00 10.22 H new ATOM 0 HZ1 LYS A 39 -2.696 -6.961 13.718 1.00 22.44 H new ATOM 0 HZ2 LYS A 39 -2.688 -8.660 13.720 1.00 22.44 H new ATOM 0 HZ3 LYS A 39 -1.277 -7.803 14.118 1.00 22.44 H new ATOM 605 N LEU A 40 0.565 -8.903 7.522 1.00 13.02 N ATOM 606 CA LEU A 40 1.129 -7.614 7.140 1.00 11.23 C ATOM 607 C LEU A 40 0.448 -7.070 5.889 1.00 42.11 C ATOM 608 O LEU A 40 0.368 -5.857 5.691 1.00 74.22 O ATOM 609 CB LEU A 40 2.634 -7.745 6.900 1.00 42.43 C ATOM 610 CG LEU A 40 3.533 -7.467 8.105 1.00 23.24 C ATOM 611 CD1 LEU A 40 4.993 -7.696 7.746 1.00 30.32 C ATOM 612 CD2 LEU A 40 3.322 -6.048 8.612 1.00 45.34 C ATOM 0 H LEU A 40 1.168 -9.702 7.326 1.00 13.02 H new ATOM 0 HA LEU A 40 0.957 -6.914 7.957 1.00 11.23 H new ATOM 0 HB2 LEU A 40 2.838 -8.755 6.545 1.00 42.43 H new ATOM 0 HB3 LEU A 40 2.914 -7.062 6.098 1.00 42.43 H new ATOM 0 HG LEU A 40 3.264 -8.160 8.902 1.00 23.24 H new ATOM 0 HD11 LEU A 40 5.618 -7.493 8.616 1.00 30.32 H new ATOM 0 HD12 LEU A 40 5.133 -8.730 7.432 1.00 30.32 H new ATOM 0 HD13 LEU A 40 5.277 -7.029 6.932 1.00 30.32 H new ATOM 0 HD21 LEU A 40 3.970 -5.868 9.470 1.00 45.34 H new ATOM 0 HD22 LEU A 40 3.563 -5.339 7.820 1.00 45.34 H new ATOM 0 HD23 LEU A 40 2.281 -5.919 8.910 1.00 45.34 H new ATOM 624 N CYS A 41 -0.043 -7.975 5.049 1.00 71.24 N ATOM 625 CA CYS A 41 -0.719 -7.586 3.816 1.00 10.22 C ATOM 626 C CYS A 41 -2.014 -6.839 4.118 1.00 13.52 C ATOM 627 O CYS A 41 -2.358 -5.874 3.437 1.00 71.15 O ATOM 628 CB CYS A 41 -1.016 -8.819 2.962 1.00 72.02 C ATOM 629 SG CYS A 41 -1.999 -8.475 1.484 1.00 10.22 S ATOM 0 H CYS A 41 0.014 -8.982 5.199 1.00 71.24 H new ATOM 0 HA CYS A 41 -0.057 -6.920 3.263 1.00 10.22 H new ATOM 0 HB2 CYS A 41 -0.073 -9.274 2.660 1.00 72.02 H new ATOM 0 HB3 CYS A 41 -1.543 -9.552 3.573 1.00 72.02 H new ATOM 0 HG CYS A 41 -1.694 -7.298 1.024 1.00 10.22 H new ATOM 635 N GLU A 42 -2.727 -7.292 5.145 1.00 74.10 N ATOM 636 CA GLU A 42 -3.985 -6.667 5.535 1.00 13.13 C ATOM 637 C GLU A 42 -3.737 -5.318 6.205 1.00 32.04 C ATOM 638 O GLU A 42 -4.595 -4.436 6.183 1.00 42.32 O ATOM 639 CB GLU A 42 -4.764 -7.583 6.481 1.00 4.43 C ATOM 640 CG GLU A 42 -6.206 -7.808 6.061 1.00 75.53 C ATOM 641 CD GLU A 42 -6.416 -9.153 5.392 1.00 50.42 C ATOM 642 OE1 GLU A 42 -6.920 -9.174 4.250 1.00 32.23 O ATOM 643 OE2 GLU A 42 -6.075 -10.183 6.010 1.00 11.43 O ATOM 0 H GLU A 42 -2.455 -8.089 5.721 1.00 74.10 H new ATOM 0 HA GLU A 42 -4.575 -6.503 4.633 1.00 13.13 H new ATOM 0 HB2 GLU A 42 -4.257 -8.546 6.539 1.00 4.43 H new ATOM 0 HB3 GLU A 42 -4.749 -7.154 7.483 1.00 4.43 H new ATOM 0 HG2 GLU A 42 -6.851 -7.738 6.937 1.00 75.53 H new ATOM 0 HG3 GLU A 42 -6.509 -7.015 5.377 1.00 75.53 H new ATOM 651 N GLU A 43 -2.558 -5.168 6.802 1.00 74.34 N ATOM 652 CA GLU A 43 -2.199 -3.927 7.479 1.00 62.13 C ATOM 653 C GLU A 43 -2.234 -2.749 6.511 1.00 55.35 C ATOM 654 O GLU A 43 -2.509 -1.615 6.906 1.00 13.01 O ATOM 655 CB GLU A 43 -0.807 -4.046 8.103 1.00 32.23 C ATOM 656 CG GLU A 43 -0.725 -5.078 9.216 1.00 14.11 C ATOM 657 CD GLU A 43 -0.959 -4.476 10.588 1.00 64.23 C ATOM 658 OE1 GLU A 43 0.036 -4.151 11.269 1.00 14.20 O ATOM 659 OE2 GLU A 43 -2.136 -4.330 10.980 1.00 24.44 O ATOM 0 H GLU A 43 -1.837 -5.889 6.830 1.00 74.34 H new ATOM 0 HA GLU A 43 -2.930 -3.749 8.268 1.00 62.13 H new ATOM 0 HB2 GLU A 43 -0.090 -4.306 7.324 1.00 32.23 H new ATOM 0 HB3 GLU A 43 -0.511 -3.074 8.498 1.00 32.23 H new ATOM 0 HG2 GLU A 43 -1.462 -5.860 9.036 1.00 14.11 H new ATOM 0 HG3 GLU A 43 0.256 -5.553 9.194 1.00 14.11 H new ATOM 667 N ALA A 44 -1.955 -3.024 5.242 1.00 60.22 N ATOM 668 CA ALA A 44 -1.956 -1.987 4.217 1.00 74.31 C ATOM 669 C ALA A 44 -3.259 -1.195 4.240 1.00 40.55 C ATOM 670 O ALA A 44 -3.252 0.032 4.139 1.00 62.31 O ATOM 671 CB ALA A 44 -1.737 -2.603 2.843 1.00 45.00 C ATOM 0 H ALA A 44 -1.725 -3.956 4.898 1.00 60.22 H new ATOM 0 HA ALA A 44 -1.138 -1.299 4.430 1.00 74.31 H new ATOM 0 HB1 ALA A 44 -1.740 -1.817 2.087 1.00 45.00 H new ATOM 0 HB2 ALA A 44 -0.778 -3.120 2.825 1.00 45.00 H new ATOM 0 HB3 ALA A 44 -2.536 -3.313 2.631 1.00 45.00 H new ATOM 677 N ALA A 45 -4.376 -1.903 4.373 1.00 41.21 N ATOM 678 CA ALA A 45 -5.685 -1.264 4.410 1.00 33.53 C ATOM 679 C ALA A 45 -5.927 -0.586 5.755 1.00 41.05 C ATOM 680 O ALA A 45 -6.737 0.336 5.860 1.00 64.00 O ATOM 681 CB ALA A 45 -6.778 -2.285 4.129 1.00 62.51 C ATOM 0 H ALA A 45 -4.400 -2.919 4.457 1.00 41.21 H new ATOM 0 HA ALA A 45 -5.710 -0.497 3.636 1.00 33.53 H new ATOM 0 HB1 ALA A 45 -7.751 -1.794 4.160 1.00 62.51 H new ATOM 0 HB2 ALA A 45 -6.623 -2.722 3.143 1.00 62.51 H new ATOM 0 HB3 ALA A 45 -6.744 -3.071 4.883 1.00 62.51 H new ATOM 687 N LYS A 46 -5.220 -1.047 6.780 1.00 21.34 N ATOM 688 CA LYS A 46 -5.357 -0.485 8.119 1.00 64.43 C ATOM 689 C LYS A 46 -4.730 0.904 8.191 1.00 35.34 C ATOM 690 O LYS A 46 -5.329 1.839 8.723 1.00 20.00 O ATOM 691 CB LYS A 46 -4.701 -1.406 9.151 1.00 73.11 C ATOM 692 CG LYS A 46 -5.643 -1.844 10.259 1.00 22.41 C ATOM 693 CD LYS A 46 -5.191 -3.151 10.889 1.00 13.23 C ATOM 694 CE LYS A 46 -6.220 -4.252 10.688 1.00 34.33 C ATOM 695 NZ LYS A 46 -6.450 -4.540 9.246 1.00 72.11 N ATOM 0 H LYS A 46 -4.546 -1.809 6.710 1.00 21.34 H new ATOM 0 HA LYS A 46 -6.420 -0.398 8.343 1.00 64.43 H new ATOM 0 HB2 LYS A 46 -4.314 -2.290 8.643 1.00 73.11 H new ATOM 0 HB3 LYS A 46 -3.847 -0.893 9.593 1.00 73.11 H new ATOM 0 HG2 LYS A 46 -5.693 -1.068 11.023 1.00 22.41 H new ATOM 0 HG3 LYS A 46 -6.649 -1.961 9.857 1.00 22.41 H new ATOM 0 HD2 LYS A 46 -4.240 -3.456 10.453 1.00 13.23 H new ATOM 0 HD3 LYS A 46 -5.020 -3.002 11.955 1.00 13.23 H new ATOM 0 HE2 LYS A 46 -5.884 -5.159 11.190 1.00 34.33 H new ATOM 0 HE3 LYS A 46 -7.161 -3.959 11.154 1.00 34.33 H new ATOM 0 HZ1 LYS A 46 -6.890 -5.477 9.145 1.00 72.11 H new ATOM 0 HZ2 LYS A 46 -7.080 -3.817 8.844 1.00 72.11 H new ATOM 0 HZ3 LYS A 46 -5.541 -4.528 8.740 1.00 72.11 H new ATOM 709 N LYS A 47 -3.522 1.032 7.653 1.00 0.55 N ATOM 710 CA LYS A 47 -2.815 2.308 7.655 1.00 24.22 C ATOM 711 C LYS A 47 -3.549 3.338 6.802 1.00 34.32 C ATOM 712 O LYS A 47 -3.907 4.413 7.283 1.00 43.14 O ATOM 713 CB LYS A 47 -1.388 2.122 7.134 1.00 44.44 C ATOM 714 CG LYS A 47 -0.411 1.645 8.194 1.00 45.35 C ATOM 715 CD LYS A 47 -0.241 0.136 8.157 1.00 11.20 C ATOM 716 CE LYS A 47 -0.931 -0.531 9.336 1.00 35.12 C ATOM 717 NZ LYS A 47 0.044 -0.987 10.365 1.00 64.13 N ATOM 0 H LYS A 47 -3.012 0.268 7.210 1.00 0.55 H new ATOM 0 HA LYS A 47 -2.777 2.674 8.681 1.00 24.22 H new ATOM 0 HB2 LYS A 47 -1.400 1.404 6.314 1.00 44.44 H new ATOM 0 HB3 LYS A 47 -1.034 3.068 6.724 1.00 44.44 H new ATOM 0 HG2 LYS A 47 0.556 2.125 8.041 1.00 45.35 H new ATOM 0 HG3 LYS A 47 -0.765 1.948 9.179 1.00 45.35 H new ATOM 0 HD2 LYS A 47 -0.651 -0.255 7.226 1.00 11.20 H new ATOM 0 HD3 LYS A 47 0.820 -0.112 8.167 1.00 11.20 H new ATOM 0 HE2 LYS A 47 -1.635 0.168 9.788 1.00 35.12 H new ATOM 0 HE3 LYS A 47 -1.511 -1.384 8.982 1.00 35.12 H new ATOM 0 HZ1 LYS A 47 -0.466 -1.436 11.152 1.00 64.13 H new ATOM 0 HZ2 LYS A 47 0.700 -1.674 9.941 1.00 64.13 H new ATOM 0 HZ3 LYS A 47 0.580 -0.170 10.721 1.00 64.13 H new ATOM 731 N ALA A 48 -3.772 3.001 5.536 1.00 10.03 N ATOM 732 CA ALA A 48 -4.467 3.895 4.619 1.00 70.11 C ATOM 733 C ALA A 48 -5.802 4.347 5.198 1.00 15.40 C ATOM 734 O ALA A 48 -6.135 5.531 5.162 1.00 35.21 O ATOM 735 CB ALA A 48 -4.676 3.213 3.275 1.00 54.13 C ATOM 0 H ALA A 48 -3.481 2.115 5.122 1.00 10.03 H new ATOM 0 HA ALA A 48 -3.847 4.779 4.473 1.00 70.11 H new ATOM 0 HB1 ALA A 48 -5.196 3.892 2.599 1.00 54.13 H new ATOM 0 HB2 ALA A 48 -3.709 2.946 2.848 1.00 54.13 H new ATOM 0 HB3 ALA A 48 -5.272 2.311 3.413 1.00 54.13 H new ATOM 741 N GLU A 49 -6.563 3.396 5.732 1.00 2.23 N ATOM 742 CA GLU A 49 -7.863 3.698 6.319 1.00 73.04 C ATOM 743 C GLU A 49 -7.709 4.540 7.582 1.00 32.15 C ATOM 744 O GLU A 49 -8.457 5.492 7.801 1.00 1.11 O ATOM 745 CB GLU A 49 -8.614 2.405 6.643 1.00 52.51 C ATOM 746 CG GLU A 49 -10.036 2.633 7.129 1.00 23.32 C ATOM 747 CD GLU A 49 -11.004 1.586 6.611 1.00 65.12 C ATOM 748 OE1 GLU A 49 -11.310 1.610 5.401 1.00 34.42 O ATOM 749 OE2 GLU A 49 -11.453 0.744 7.415 1.00 14.02 O ATOM 0 H GLU A 49 -6.301 2.411 5.770 1.00 2.23 H new ATOM 0 HA GLU A 49 -8.437 4.270 5.590 1.00 73.04 H new ATOM 0 HB2 GLU A 49 -8.640 1.777 5.753 1.00 52.51 H new ATOM 0 HB3 GLU A 49 -8.062 1.855 7.405 1.00 52.51 H new ATOM 0 HG2 GLU A 49 -10.049 2.627 8.219 1.00 23.32 H new ATOM 0 HG3 GLU A 49 -10.371 3.621 6.812 1.00 23.32 H new ATOM 757 N GLU A 50 -6.733 4.181 8.409 1.00 4.52 N ATOM 758 CA GLU A 50 -6.480 4.902 9.651 1.00 53.33 C ATOM 759 C GLU A 50 -6.157 6.367 9.374 1.00 73.13 C ATOM 760 O GLU A 50 -6.728 7.269 9.990 1.00 34.34 O ATOM 761 CB GLU A 50 -5.328 4.251 10.420 1.00 51.42 C ATOM 762 CG GLU A 50 -5.778 3.179 11.398 1.00 44.50 C ATOM 763 CD GLU A 50 -5.138 3.331 12.765 1.00 24.21 C ATOM 764 OE1 GLU A 50 -5.878 3.319 13.770 1.00 30.25 O ATOM 765 OE2 GLU A 50 -3.898 3.462 12.829 1.00 43.03 O ATOM 0 H GLU A 50 -6.104 3.395 8.242 1.00 4.52 H new ATOM 0 HA GLU A 50 -7.384 4.856 10.258 1.00 53.33 H new ATOM 0 HB2 GLU A 50 -4.630 3.811 9.708 1.00 51.42 H new ATOM 0 HB3 GLU A 50 -4.784 5.023 10.965 1.00 51.42 H new ATOM 0 HG2 GLU A 50 -6.862 3.219 11.502 1.00 44.50 H new ATOM 0 HG3 GLU A 50 -5.533 2.197 10.993 1.00 44.50 H new ATOM 773 N LEU A 51 -5.238 6.599 8.443 1.00 23.12 N ATOM 774 CA LEU A 51 -4.838 7.954 8.082 1.00 32.11 C ATOM 775 C LEU A 51 -5.959 8.674 7.340 1.00 1.32 C ATOM 776 O LEU A 51 -6.247 9.841 7.609 1.00 24.40 O ATOM 777 CB LEU A 51 -3.577 7.922 7.217 1.00 22.35 C ATOM 778 CG LEU A 51 -2.418 7.079 7.752 1.00 64.33 C ATOM 779 CD1 LEU A 51 -1.744 6.320 6.619 1.00 71.40 C ATOM 780 CD2 LEU A 51 -1.412 7.956 8.481 1.00 31.00 C ATOM 0 H LEU A 51 -4.756 5.865 7.924 1.00 23.12 H new ATOM 0 HA LEU A 51 -4.627 8.500 9.001 1.00 32.11 H new ATOM 0 HB2 LEU A 51 -3.847 7.547 6.230 1.00 22.35 H new ATOM 0 HB3 LEU A 51 -3.225 8.945 7.085 1.00 22.35 H new ATOM 0 HG LEU A 51 -2.818 6.354 8.461 1.00 64.33 H new ATOM 0 HD11 LEU A 51 -0.922 5.726 7.018 1.00 71.40 H new ATOM 0 HD12 LEU A 51 -2.469 5.662 6.140 1.00 71.40 H new ATOM 0 HD13 LEU A 51 -1.358 7.028 5.886 1.00 71.40 H new ATOM 0 HD21 LEU A 51 -0.595 7.339 8.855 1.00 31.00 H new ATOM 0 HD22 LEU A 51 -1.017 8.705 7.794 1.00 31.00 H new ATOM 0 HD23 LEU A 51 -1.902 8.454 9.318 1.00 31.00 H new ATOM 792 N PHE A 52 -6.590 7.970 6.406 1.00 63.41 N ATOM 793 CA PHE A 52 -7.682 8.541 5.625 1.00 42.14 C ATOM 794 C PHE A 52 -8.839 8.955 6.529 1.00 20.12 C ATOM 795 O PHE A 52 -9.498 9.967 6.290 1.00 0.44 O ATOM 796 CB PHE A 52 -8.170 7.536 4.580 1.00 62.40 C ATOM 797 CG PHE A 52 -9.412 7.976 3.860 1.00 63.25 C ATOM 798 CD1 PHE A 52 -9.504 9.252 3.326 1.00 34.04 C ATOM 799 CD2 PHE A 52 -10.486 7.114 3.715 1.00 73.54 C ATOM 800 CE1 PHE A 52 -10.647 9.659 2.664 1.00 41.44 C ATOM 801 CE2 PHE A 52 -11.632 7.515 3.052 1.00 43.14 C ATOM 802 CZ PHE A 52 -11.711 8.790 2.525 1.00 31.05 C ATOM 0 H PHE A 52 -6.364 7.003 6.171 1.00 63.41 H new ATOM 0 HA PHE A 52 -7.306 9.429 5.117 1.00 42.14 H new ATOM 0 HB2 PHE A 52 -7.377 7.368 3.851 1.00 62.40 H new ATOM 0 HB3 PHE A 52 -8.362 6.580 5.068 1.00 62.40 H new ATOM 0 HD1 PHE A 52 -8.674 9.935 3.428 1.00 34.04 H new ATOM 0 HD2 PHE A 52 -10.428 6.116 4.125 1.00 73.54 H new ATOM 0 HE1 PHE A 52 -10.708 10.657 2.255 1.00 41.44 H new ATOM 0 HE2 PHE A 52 -12.463 6.833 2.947 1.00 43.14 H new ATOM 0 HZ PHE A 52 -12.603 9.106 2.005 1.00 31.05 H new ATOM 812 N LYS A 53 -9.081 8.163 7.569 1.00 74.45 N ATOM 813 CA LYS A 53 -10.159 8.445 8.510 1.00 21.15 C ATOM 814 C LYS A 53 -10.064 9.874 9.034 1.00 73.43 C ATOM 815 O LYS A 53 -10.997 10.664 8.883 1.00 13.52 O ATOM 816 CB LYS A 53 -10.113 7.457 9.679 1.00 51.21 C ATOM 817 CG LYS A 53 -11.404 7.399 10.477 1.00 51.34 C ATOM 818 CD LYS A 53 -12.484 6.631 9.734 1.00 74.22 C ATOM 819 CE LYS A 53 -13.499 6.029 10.693 1.00 33.13 C ATOM 820 NZ LYS A 53 -14.683 5.480 9.975 1.00 11.34 N ATOM 0 H LYS A 53 -8.545 7.321 7.781 1.00 74.45 H new ATOM 0 HA LYS A 53 -11.107 8.333 7.984 1.00 21.15 H new ATOM 0 HB2 LYS A 53 -9.888 6.462 9.294 1.00 51.21 H new ATOM 0 HB3 LYS A 53 -9.296 7.733 10.345 1.00 51.21 H new ATOM 0 HG2 LYS A 53 -11.216 6.925 11.440 1.00 51.34 H new ATOM 0 HG3 LYS A 53 -11.752 8.411 10.682 1.00 51.34 H new ATOM 0 HD2 LYS A 53 -12.991 7.297 9.037 1.00 74.22 H new ATOM 0 HD3 LYS A 53 -12.026 5.838 9.142 1.00 74.22 H new ATOM 0 HE2 LYS A 53 -13.026 5.236 11.272 1.00 33.13 H new ATOM 0 HE3 LYS A 53 -13.825 6.790 11.402 1.00 33.13 H new ATOM 0 HZ1 LYS A 53 -15.351 5.079 10.664 1.00 11.34 H new ATOM 0 HZ2 LYS A 53 -15.150 6.242 9.442 1.00 11.34 H new ATOM 0 HZ3 LYS A 53 -14.376 4.736 9.317 1.00 11.34 H new ATOM 834 N LEU A 54 -8.932 10.200 9.647 1.00 73.20 N ATOM 835 CA LEU A 54 -8.714 11.536 10.191 1.00 33.04 C ATOM 836 C LEU A 54 -8.436 12.540 9.077 1.00 62.12 C ATOM 837 O LEU A 54 -8.649 13.741 9.243 1.00 43.22 O ATOM 838 CB LEU A 54 -7.550 11.521 11.182 1.00 3.03 C ATOM 839 CG LEU A 54 -7.890 11.099 12.612 1.00 41.52 C ATOM 840 CD1 LEU A 54 -6.620 10.856 13.413 1.00 31.01 C ATOM 841 CD2 LEU A 54 -8.755 12.155 13.287 1.00 21.44 C ATOM 0 H LEU A 54 -8.151 9.558 9.780 1.00 73.20 H new ATOM 0 HA LEU A 54 -9.622 11.842 10.711 1.00 33.04 H new ATOM 0 HB2 LEU A 54 -6.782 10.849 10.799 1.00 3.03 H new ATOM 0 HB3 LEU A 54 -7.113 12.519 11.213 1.00 3.03 H new ATOM 0 HG LEU A 54 -8.453 10.167 12.572 1.00 41.52 H new ATOM 0 HD11 LEU A 54 -6.882 10.557 14.428 1.00 31.01 H new ATOM 0 HD12 LEU A 54 -6.037 10.065 12.940 1.00 31.01 H new ATOM 0 HD13 LEU A 54 -6.030 11.772 13.446 1.00 31.01 H new ATOM 0 HD21 LEU A 54 -8.988 11.839 14.304 1.00 21.44 H new ATOM 0 HD22 LEU A 54 -8.217 13.102 13.316 1.00 21.44 H new ATOM 0 HD23 LEU A 54 -9.681 12.281 12.725 1.00 21.44 H new ATOM 853 N ALA A 55 -7.962 12.039 7.941 1.00 70.01 N ATOM 854 CA ALA A 55 -7.659 12.891 6.798 1.00 32.13 C ATOM 855 C ALA A 55 -8.886 13.688 6.367 1.00 64.22 C ATOM 856 O ALA A 55 -8.771 14.836 5.940 1.00 71.42 O ATOM 857 CB ALA A 55 -7.137 12.053 5.639 1.00 55.30 C ATOM 0 H ALA A 55 -7.780 11.047 7.788 1.00 70.01 H new ATOM 0 HA ALA A 55 -6.886 13.598 7.098 1.00 32.13 H new ATOM 0 HB1 ALA A 55 -6.915 12.702 4.792 1.00 55.30 H new ATOM 0 HB2 ALA A 55 -6.229 11.533 5.946 1.00 55.30 H new ATOM 0 HB3 ALA A 55 -7.893 11.323 5.348 1.00 55.30 H new ATOM 863 N GLU A 56 -10.057 13.069 6.481 1.00 51.15 N ATOM 864 CA GLU A 56 -11.305 13.722 6.100 1.00 43.24 C ATOM 865 C GLU A 56 -11.492 15.027 6.869 1.00 11.35 C ATOM 866 O GLU A 56 -12.223 15.916 6.434 1.00 53.32 O ATOM 867 CB GLU A 56 -12.491 12.792 6.355 1.00 33.14 C ATOM 868 CG GLU A 56 -12.233 11.350 5.950 1.00 4.21 C ATOM 869 CD GLU A 56 -13.502 10.522 5.898 1.00 72.32 C ATOM 870 OE1 GLU A 56 -14.454 10.849 6.637 1.00 70.31 O ATOM 871 OE2 GLU A 56 -13.543 9.546 5.120 1.00 43.44 O ATOM 0 H GLU A 56 -10.168 12.118 6.833 1.00 51.15 H new ATOM 0 HA GLU A 56 -11.256 13.951 5.036 1.00 43.24 H new ATOM 0 HB2 GLU A 56 -12.745 12.823 7.415 1.00 33.14 H new ATOM 0 HB3 GLU A 56 -13.358 13.164 5.809 1.00 33.14 H new ATOM 0 HG2 GLU A 56 -11.752 11.332 4.972 1.00 4.21 H new ATOM 0 HG3 GLU A 56 -11.537 10.897 6.656 1.00 4.21 H new ATOM 879 N GLU A 57 -10.828 15.131 8.016 1.00 42.01 N ATOM 880 CA GLU A 57 -10.924 16.326 8.847 1.00 5.53 C ATOM 881 C GLU A 57 -10.164 17.490 8.216 1.00 64.22 C ATOM 882 O GLU A 57 -10.721 18.567 8.006 1.00 32.01 O ATOM 883 CB GLU A 57 -10.375 16.045 10.248 1.00 54.14 C ATOM 884 CG GLU A 57 -10.603 17.182 11.230 1.00 25.20 C ATOM 885 CD GLU A 57 -12.069 17.379 11.565 1.00 24.02 C ATOM 886 OE1 GLU A 57 -12.879 16.490 11.227 1.00 24.24 O ATOM 887 OE2 GLU A 57 -12.406 18.421 12.165 1.00 31.53 O ATOM 0 H GLU A 57 -10.219 14.404 8.391 1.00 42.01 H new ATOM 0 HA GLU A 57 -11.976 16.600 8.924 1.00 5.53 H new ATOM 0 HB2 GLU A 57 -10.842 15.140 10.638 1.00 54.14 H new ATOM 0 HB3 GLU A 57 -9.306 15.846 10.177 1.00 54.14 H new ATOM 0 HG2 GLU A 57 -10.048 16.982 12.147 1.00 25.20 H new ATOM 0 HG3 GLU A 57 -10.203 18.105 10.811 1.00 25.20 H new ATOM 895 N ARG A 58 -8.889 17.263 7.916 1.00 13.22 N ATOM 896 CA ARG A 58 -8.052 18.292 7.310 1.00 15.33 C ATOM 897 C ARG A 58 -8.356 18.435 5.822 1.00 21.34 C ATOM 898 O ARG A 58 -8.090 19.475 5.220 1.00 62.54 O ATOM 899 CB ARG A 58 -6.573 17.960 7.511 1.00 22.21 C ATOM 900 CG ARG A 58 -6.248 17.441 8.903 1.00 62.23 C ATOM 901 CD ARG A 58 -6.031 15.935 8.899 1.00 75.24 C ATOM 902 NE ARG A 58 -4.710 15.573 8.393 1.00 54.15 N ATOM 903 CZ ARG A 58 -3.581 15.811 9.050 1.00 62.20 C ATOM 904 NH1 ARG A 58 -3.611 16.408 10.234 1.00 74.42 N ATOM 905 NH2 ARG A 58 -2.417 15.451 8.523 1.00 15.21 N ATOM 0 H ARG A 58 -8.413 16.376 8.083 1.00 13.22 H new ATOM 0 HA ARG A 58 -8.274 19.240 7.800 1.00 15.33 H new ATOM 0 HB2 ARG A 58 -6.274 17.213 6.775 1.00 22.21 H new ATOM 0 HB3 ARG A 58 -5.979 18.854 7.318 1.00 22.21 H new ATOM 0 HG2 ARG A 58 -5.353 17.938 9.278 1.00 62.23 H new ATOM 0 HG3 ARG A 58 -7.061 17.691 9.585 1.00 62.23 H new ATOM 0 HD2 ARG A 58 -6.149 15.549 9.912 1.00 75.24 H new ATOM 0 HD3 ARG A 58 -6.797 15.460 8.285 1.00 75.24 H new ATOM 0 HE ARG A 58 -4.651 15.112 7.485 1.00 54.15 H new ATOM 0 HH11 ARG A 58 -4.503 16.686 10.643 1.00 74.42 H new ATOM 0 HH12 ARG A 58 -2.742 16.589 10.736 1.00 74.42 H new ATOM 0 HH21 ARG A 58 -2.390 14.991 7.613 1.00 15.21 H new ATOM 0 HH22 ARG A 58 -1.550 15.634 9.028 1.00 15.21 H new ATOM 919 N LEU A 59 -8.914 17.381 5.235 1.00 53.11 N ATOM 920 CA LEU A 59 -9.254 17.388 3.816 1.00 3.33 C ATOM 921 C LEU A 59 -10.766 17.343 3.619 1.00 24.40 C ATOM 922 O LEU A 59 -11.531 17.417 4.580 1.00 71.45 O ATOM 923 CB LEU A 59 -8.600 16.198 3.109 1.00 1.42 C ATOM 924 CG LEU A 59 -7.095 16.307 2.865 1.00 42.33 C ATOM 925 CD1 LEU A 59 -6.765 17.602 2.138 1.00 60.42 C ATOM 926 CD2 LEU A 59 -6.333 16.223 4.180 1.00 51.23 C ATOM 0 H LEU A 59 -9.140 16.512 5.719 1.00 53.11 H new ATOM 0 HA LEU A 59 -8.877 18.313 3.381 1.00 3.33 H new ATOM 0 HB2 LEU A 59 -8.788 15.302 3.700 1.00 1.42 H new ATOM 0 HB3 LEU A 59 -9.094 16.056 2.148 1.00 1.42 H new ATOM 0 HG LEU A 59 -6.787 15.472 2.236 1.00 42.33 H new ATOM 0 HD11 LEU A 59 -5.689 17.663 1.973 1.00 60.42 H new ATOM 0 HD12 LEU A 59 -7.281 17.622 1.178 1.00 60.42 H new ATOM 0 HD13 LEU A 59 -7.088 18.450 2.741 1.00 60.42 H new ATOM 0 HD21 LEU A 59 -5.263 16.302 3.986 1.00 51.23 H new ATOM 0 HD22 LEU A 59 -6.645 17.037 4.834 1.00 51.23 H new ATOM 0 HD23 LEU A 59 -6.544 15.269 4.663 1.00 51.23 H new ATOM 938 N LYS A 60 -11.190 17.219 2.365 1.00 2.23 N ATOM 939 CA LYS A 60 -12.610 17.161 2.040 1.00 43.12 C ATOM 940 C LYS A 60 -13.363 18.322 2.680 1.00 61.15 C ATOM 941 O LYS A 60 -12.755 19.257 3.204 1.00 22.21 O ATOM 942 CB LYS A 60 -13.207 15.833 2.507 1.00 31.45 C ATOM 943 CG LYS A 60 -12.344 14.627 2.177 1.00 61.12 C ATOM 944 CD LYS A 60 -12.750 13.409 2.990 1.00 42.53 C ATOM 945 CE LYS A 60 -13.457 12.374 2.130 1.00 54.22 C ATOM 946 NZ LYS A 60 -14.629 12.953 1.417 1.00 31.12 N ATOM 0 H LYS A 60 -10.570 17.157 1.558 1.00 2.23 H new ATOM 0 HA LYS A 60 -12.712 17.238 0.958 1.00 43.12 H new ATOM 0 HB2 LYS A 60 -13.362 15.874 3.585 1.00 31.45 H new ATOM 0 HB3 LYS A 60 -14.187 15.704 2.048 1.00 31.45 H new ATOM 0 HG2 LYS A 60 -12.427 14.400 1.114 1.00 61.12 H new ATOM 0 HG3 LYS A 60 -11.298 14.863 2.372 1.00 61.12 H new ATOM 0 HD2 LYS A 60 -11.866 12.963 3.445 1.00 42.53 H new ATOM 0 HD3 LYS A 60 -13.406 13.716 3.804 1.00 42.53 H new ATOM 0 HE2 LYS A 60 -12.755 11.965 1.403 1.00 54.22 H new ATOM 0 HE3 LYS A 60 -13.786 11.545 2.756 1.00 54.22 H new ATOM 0 HZ1 LYS A 60 -15.412 12.269 1.424 1.00 31.12 H new ATOM 0 HZ2 LYS A 60 -14.929 13.827 1.894 1.00 31.12 H new ATOM 0 HZ3 LYS A 60 -14.366 13.168 0.434 1.00 31.12 H new ATOM 960 N LYS A 61 -14.689 18.258 2.636 1.00 22.32 N ATOM 961 CA LYS A 61 -15.526 19.302 3.213 1.00 14.34 C ATOM 962 C LYS A 61 -16.446 18.730 4.287 1.00 11.53 C ATOM 963 O LYS A 61 -16.817 19.423 5.236 1.00 4.51 O ATOM 964 CB LYS A 61 -16.358 19.980 2.123 1.00 52.32 C ATOM 965 CG LYS A 61 -17.419 20.922 2.664 1.00 12.12 C ATOM 966 CD LYS A 61 -18.764 20.228 2.802 1.00 65.23 C ATOM 967 CE LYS A 61 -19.364 20.443 4.183 1.00 11.22 C ATOM 968 NZ LYS A 61 -20.847 20.560 4.131 1.00 14.32 N ATOM 0 H LYS A 61 -15.208 17.492 2.206 1.00 22.32 H new ATOM 0 HA LYS A 61 -14.872 20.042 3.675 1.00 14.34 H new ATOM 0 HB2 LYS A 61 -15.692 20.537 1.463 1.00 52.32 H new ATOM 0 HB3 LYS A 61 -16.840 19.213 1.516 1.00 52.32 H new ATOM 0 HG2 LYS A 61 -17.105 21.305 3.635 1.00 12.12 H new ATOM 0 HG3 LYS A 61 -17.518 21.780 1.999 1.00 12.12 H new ATOM 0 HD2 LYS A 61 -19.449 20.607 2.044 1.00 65.23 H new ATOM 0 HD3 LYS A 61 -18.644 19.160 2.619 1.00 65.23 H new ATOM 0 HE2 LYS A 61 -19.088 19.612 4.832 1.00 11.22 H new ATOM 0 HE3 LYS A 61 -18.944 21.346 4.625 1.00 11.22 H new ATOM 0 HZ1 LYS A 61 -21.218 20.706 5.092 1.00 14.32 H new ATOM 0 HZ2 LYS A 61 -21.111 21.368 3.532 1.00 14.32 H new ATOM 0 HZ3 LYS A 61 -21.250 19.688 3.733 1.00 14.32 H new ATOM 982 N LEU A 62 -16.810 17.462 4.134 1.00 42.03 N ATOM 983 CA LEU A 62 -17.686 16.795 5.092 1.00 40.23 C ATOM 984 C LEU A 62 -17.169 16.972 6.516 1.00 5.15 C ATOM 985 O LEU A 62 -16.018 17.368 6.693 1.00 13.35 O ATOM 986 CB LEU A 62 -17.800 15.307 4.759 1.00 75.32 C ATOM 987 CG LEU A 62 -16.480 14.553 4.592 1.00 11.25 C ATOM 988 CD1 LEU A 62 -15.889 14.207 5.950 1.00 21.20 C ATOM 989 CD2 LEU A 62 -16.686 13.295 3.761 1.00 31.03 C ATOM 0 H LEU A 62 -16.512 16.874 3.355 1.00 42.03 H new ATOM 0 HA LEU A 62 -18.673 17.252 5.024 1.00 40.23 H new ATOM 0 HB2 LEU A 62 -18.375 14.822 5.548 1.00 75.32 H new ATOM 0 HB3 LEU A 62 -18.373 15.204 3.837 1.00 75.32 H new ATOM 0 HG LEU A 62 -15.777 15.200 4.067 1.00 11.25 H new ATOM 0 HD11 LEU A 62 -14.950 13.671 5.812 1.00 21.20 H new ATOM 0 HD12 LEU A 62 -15.705 15.123 6.511 1.00 21.20 H new ATOM 0 HD13 LEU A 62 -16.588 13.579 6.502 1.00 21.20 H new ATOM 0 HD21 LEU A 62 -15.736 12.771 3.652 1.00 31.03 H new ATOM 0 HD22 LEU A 62 -17.405 12.644 4.259 1.00 31.03 H new ATOM 0 HD23 LEU A 62 -17.065 13.568 2.776 1.00 31.03 H new TER 1001 LEU A 62 ATOM 1002 N MET B 1 14.329 -20.887 -12.502 1.00 32.21 N ATOM 1003 CA MET B 1 13.989 -19.481 -12.686 1.00 25.14 C ATOM 1004 C MET B 1 12.615 -19.172 -12.100 1.00 62.43 C ATOM 1005 O MET B 1 12.450 -18.210 -11.351 1.00 3.53 O ATOM 1006 CB MET B 1 14.018 -19.117 -14.172 1.00 14.54 C ATOM 1007 CG MET B 1 15.422 -18.981 -14.737 1.00 63.44 C ATOM 1008 SD MET B 1 15.436 -18.282 -16.399 1.00 71.02 S ATOM 1009 CE MET B 1 16.550 -16.897 -16.174 1.00 22.33 C ATOM 0 H1 MET B 1 15.275 -21.069 -12.893 1.00 32.21 H new ATOM 0 H2 MET B 1 14.324 -21.115 -11.487 1.00 32.21 H new ATOM 0 H3 MET B 1 13.631 -21.480 -12.994 1.00 32.21 H new ATOM 0 HA MET B 1 14.731 -18.882 -12.159 1.00 25.14 H new ATOM 0 HB2 MET B 1 13.481 -19.880 -14.735 1.00 14.54 H new ATOM 0 HB3 MET B 1 13.484 -18.178 -14.318 1.00 14.54 H new ATOM 0 HG2 MET B 1 16.016 -18.350 -14.076 1.00 63.44 H new ATOM 0 HG3 MET B 1 15.899 -19.961 -14.755 1.00 63.44 H new ATOM 0 HE1 MET B 1 16.662 -16.363 -17.118 1.00 22.33 H new ATOM 0 HE2 MET B 1 16.144 -16.222 -15.421 1.00 22.33 H new ATOM 0 HE3 MET B 1 17.523 -17.262 -15.847 1.00 22.33 H new ATOM 1019 N LYS B 2 11.631 -19.995 -12.447 1.00 54.02 N ATOM 1020 CA LYS B 2 10.271 -19.811 -11.956 1.00 52.14 C ATOM 1021 C LYS B 2 9.688 -18.490 -12.449 1.00 40.12 C ATOM 1022 O LYS B 2 10.422 -17.585 -12.846 1.00 53.21 O ATOM 1023 CB LYS B 2 10.250 -19.850 -10.426 1.00 71.22 C ATOM 1024 CG LYS B 2 9.637 -21.118 -9.859 1.00 71.30 C ATOM 1025 CD LYS B 2 10.644 -22.256 -9.821 1.00 73.54 C ATOM 1026 CE LYS B 2 9.964 -23.595 -9.580 1.00 60.11 C ATOM 1027 NZ LYS B 2 10.433 -24.237 -8.321 1.00 63.03 N ATOM 0 H LYS B 2 11.751 -20.796 -13.067 1.00 54.02 H new ATOM 0 HA LYS B 2 9.658 -20.625 -12.343 1.00 52.14 H new ATOM 0 HB2 LYS B 2 11.270 -19.752 -10.054 1.00 71.22 H new ATOM 0 HB3 LYS B 2 9.692 -18.990 -10.057 1.00 71.22 H new ATOM 0 HG2 LYS B 2 9.266 -20.925 -8.852 1.00 71.30 H new ATOM 0 HG3 LYS B 2 8.779 -21.410 -10.464 1.00 71.30 H new ATOM 0 HD2 LYS B 2 11.192 -22.290 -10.762 1.00 73.54 H new ATOM 0 HD3 LYS B 2 11.374 -22.071 -9.033 1.00 73.54 H new ATOM 0 HE2 LYS B 2 8.885 -23.451 -9.534 1.00 60.11 H new ATOM 0 HE3 LYS B 2 10.161 -24.259 -10.422 1.00 60.11 H new ATOM 0 HZ1 LYS B 2 9.946 -25.147 -8.193 1.00 63.03 H new ATOM 0 HZ2 LYS B 2 11.459 -24.398 -8.375 1.00 63.03 H new ATOM 0 HZ3 LYS B 2 10.222 -23.615 -7.515 1.00 63.03 H new ATOM 1041 N LYS B 3 8.363 -18.386 -12.420 1.00 4.11 N ATOM 1042 CA LYS B 3 7.681 -17.176 -12.862 1.00 42.43 C ATOM 1043 C LYS B 3 6.171 -17.307 -12.689 1.00 24.54 C ATOM 1044 O LYS B 3 5.489 -16.345 -12.335 1.00 3.11 O ATOM 1045 CB LYS B 3 8.014 -16.883 -14.327 1.00 14.12 C ATOM 1046 CG LYS B 3 8.955 -15.705 -14.513 1.00 74.13 C ATOM 1047 CD LYS B 3 8.663 -14.959 -15.805 1.00 1.20 C ATOM 1048 CE LYS B 3 8.006 -13.614 -15.535 1.00 72.21 C ATOM 1049 NZ LYS B 3 7.067 -13.227 -16.625 1.00 33.45 N ATOM 0 H LYS B 3 7.741 -19.126 -12.095 1.00 4.11 H new ATOM 0 HA LYS B 3 8.029 -16.348 -12.244 1.00 42.43 H new ATOM 0 HB2 LYS B 3 8.463 -17.770 -14.773 1.00 14.12 H new ATOM 0 HB3 LYS B 3 7.089 -16.687 -14.869 1.00 14.12 H new ATOM 0 HG2 LYS B 3 8.858 -15.023 -13.668 1.00 74.13 H new ATOM 0 HG3 LYS B 3 9.986 -16.059 -14.521 1.00 74.13 H new ATOM 0 HD2 LYS B 3 9.591 -14.808 -16.357 1.00 1.20 H new ATOM 0 HD3 LYS B 3 8.011 -15.563 -16.436 1.00 1.20 H new ATOM 0 HE2 LYS B 3 7.466 -13.657 -14.589 1.00 72.21 H new ATOM 0 HE3 LYS B 3 8.775 -12.849 -15.429 1.00 72.21 H new ATOM 0 HZ1 LYS B 3 6.640 -12.305 -16.404 1.00 33.45 H new ATOM 0 HZ2 LYS B 3 7.586 -13.161 -17.524 1.00 33.45 H new ATOM 0 HZ3 LYS B 3 6.319 -13.944 -16.709 1.00 33.45 H new ATOM 1063 N LEU B 4 5.656 -18.506 -12.939 1.00 35.21 N ATOM 1064 CA LEU B 4 4.225 -18.765 -12.809 1.00 1.23 C ATOM 1065 C LEU B 4 3.714 -18.328 -11.440 1.00 45.41 C ATOM 1066 O LEU B 4 2.870 -17.438 -11.336 1.00 43.41 O ATOM 1067 CB LEU B 4 3.935 -20.252 -13.023 1.00 75.23 C ATOM 1068 CG LEU B 4 3.595 -20.669 -14.455 1.00 24.03 C ATOM 1069 CD1 LEU B 4 2.275 -20.055 -14.892 1.00 53.23 C ATOM 1070 CD2 LEU B 4 4.713 -20.268 -15.407 1.00 11.41 C ATOM 0 H LEU B 4 6.206 -19.313 -13.232 1.00 35.21 H new ATOM 0 HA LEU B 4 3.705 -18.185 -13.572 1.00 1.23 H new ATOM 0 HB2 LEU B 4 4.805 -20.822 -12.696 1.00 75.23 H new ATOM 0 HB3 LEU B 4 3.105 -20.537 -12.376 1.00 75.23 H new ATOM 0 HG LEU B 4 3.493 -21.754 -14.482 1.00 24.03 H new ATOM 0 HD11 LEU B 4 2.051 -20.363 -15.913 1.00 53.23 H new ATOM 0 HD12 LEU B 4 1.479 -20.392 -14.228 1.00 53.23 H new ATOM 0 HD13 LEU B 4 2.347 -18.968 -14.849 1.00 53.23 H new ATOM 0 HD21 LEU B 4 4.454 -20.572 -16.421 1.00 11.41 H new ATOM 0 HD22 LEU B 4 4.847 -19.187 -15.376 1.00 11.41 H new ATOM 0 HD23 LEU B 4 5.640 -20.757 -15.107 1.00 11.41 H new ATOM 1082 N ARG B 5 4.234 -18.959 -10.392 1.00 1.41 N ATOM 1083 CA ARG B 5 3.831 -18.634 -9.028 1.00 23.22 C ATOM 1084 C ARG B 5 4.366 -17.266 -8.614 1.00 53.05 C ATOM 1085 O ARG B 5 3.704 -16.524 -7.890 1.00 14.15 O ATOM 1086 CB ARG B 5 4.334 -19.704 -8.057 1.00 72.32 C ATOM 1087 CG ARG B 5 5.820 -19.996 -8.186 1.00 54.54 C ATOM 1088 CD ARG B 5 6.311 -20.893 -7.062 1.00 42.11 C ATOM 1089 NE ARG B 5 6.829 -22.163 -7.562 1.00 61.34 N ATOM 1090 CZ ARG B 5 7.028 -23.229 -6.796 1.00 5.53 C ATOM 1091 NH1 ARG B 5 6.755 -23.178 -5.500 1.00 3.14 N ATOM 1092 NH2 ARG B 5 7.503 -24.350 -7.325 1.00 44.23 N ATOM 0 H ARG B 5 4.934 -19.697 -10.461 1.00 1.41 H new ATOM 0 HA ARG B 5 2.742 -18.605 -8.995 1.00 23.22 H new ATOM 0 HB2 ARG B 5 4.123 -19.384 -7.037 1.00 72.32 H new ATOM 0 HB3 ARG B 5 3.776 -20.625 -8.224 1.00 72.32 H new ATOM 0 HG2 ARG B 5 6.016 -20.474 -9.146 1.00 54.54 H new ATOM 0 HG3 ARG B 5 6.378 -19.060 -8.176 1.00 54.54 H new ATOM 0 HD2 ARG B 5 7.092 -20.378 -6.502 1.00 42.11 H new ATOM 0 HD3 ARG B 5 5.493 -21.084 -6.367 1.00 42.11 H new ATOM 0 HE ARG B 5 7.050 -22.235 -8.555 1.00 61.34 H new ATOM 0 HH11 ARG B 5 6.391 -22.318 -5.089 1.00 3.14 H new ATOM 0 HH12 ARG B 5 6.909 -23.998 -4.914 1.00 3.14 H new ATOM 0 HH21 ARG B 5 7.716 -24.393 -8.322 1.00 44.23 H new ATOM 0 HH22 ARG B 5 7.655 -25.168 -6.735 1.00 44.23 H new ATOM 1106 N GLU B 6 5.567 -16.940 -9.080 1.00 42.34 N ATOM 1107 CA GLU B 6 6.190 -15.662 -8.757 1.00 40.31 C ATOM 1108 C GLU B 6 5.261 -14.501 -9.103 1.00 2.14 C ATOM 1109 O GLU B 6 5.344 -13.429 -8.504 1.00 71.54 O ATOM 1110 CB GLU B 6 7.515 -15.510 -9.508 1.00 1.43 C ATOM 1111 CG GLU B 6 8.283 -14.252 -9.139 1.00 63.12 C ATOM 1112 CD GLU B 6 8.261 -13.212 -10.241 1.00 54.23 C ATOM 1113 OE1 GLU B 6 7.326 -13.244 -11.069 1.00 30.00 O ATOM 1114 OE2 GLU B 6 9.178 -12.365 -10.277 1.00 40.22 O ATOM 0 H GLU B 6 6.128 -17.543 -9.682 1.00 42.34 H new ATOM 0 HA GLU B 6 6.384 -15.643 -7.685 1.00 40.31 H new ATOM 0 HB2 GLU B 6 8.140 -16.380 -9.305 1.00 1.43 H new ATOM 0 HB3 GLU B 6 7.317 -15.503 -10.580 1.00 1.43 H new ATOM 0 HG2 GLU B 6 7.857 -13.824 -8.232 1.00 63.12 H new ATOM 0 HG3 GLU B 6 9.316 -14.515 -8.913 1.00 63.12 H new ATOM 1122 N GLU B 7 4.380 -14.725 -10.072 1.00 51.22 N ATOM 1123 CA GLU B 7 3.437 -13.697 -10.499 1.00 63.20 C ATOM 1124 C GLU B 7 2.650 -13.154 -9.310 1.00 21.05 C ATOM 1125 O GLU B 7 2.216 -12.003 -9.313 1.00 31.14 O ATOM 1126 CB GLU B 7 2.475 -14.260 -11.547 1.00 10.12 C ATOM 1127 CG GLU B 7 3.082 -14.364 -12.936 1.00 71.33 C ATOM 1128 CD GLU B 7 2.399 -13.457 -13.941 1.00 33.00 C ATOM 1129 OE1 GLU B 7 1.156 -13.521 -14.049 1.00 1.43 O ATOM 1130 OE2 GLU B 7 3.106 -12.683 -14.620 1.00 1.04 O ATOM 0 H GLU B 7 4.299 -15.608 -10.576 1.00 51.22 H new ATOM 0 HA GLU B 7 4.006 -12.879 -10.941 1.00 63.20 H new ATOM 0 HB2 GLU B 7 2.143 -15.249 -11.230 1.00 10.12 H new ATOM 0 HB3 GLU B 7 1.589 -13.626 -11.593 1.00 10.12 H new ATOM 0 HG2 GLU B 7 4.141 -14.111 -12.885 1.00 71.33 H new ATOM 0 HG3 GLU B 7 3.017 -15.396 -13.281 1.00 71.33 H new ATOM 1138 N ALA B 8 2.470 -13.993 -8.294 1.00 44.41 N ATOM 1139 CA ALA B 8 1.737 -13.597 -7.098 1.00 31.24 C ATOM 1140 C ALA B 8 2.585 -12.694 -6.208 1.00 33.12 C ATOM 1141 O ALA B 8 2.060 -11.829 -5.506 1.00 23.21 O ATOM 1142 CB ALA B 8 1.285 -14.827 -6.325 1.00 52.01 C ATOM 0 H ALA B 8 2.822 -14.950 -8.276 1.00 44.41 H new ATOM 0 HA ALA B 8 0.858 -13.034 -7.411 1.00 31.24 H new ATOM 0 HB1 ALA B 8 0.739 -14.517 -5.434 1.00 52.01 H new ATOM 0 HB2 ALA B 8 0.636 -15.435 -6.955 1.00 52.01 H new ATOM 0 HB3 ALA B 8 2.156 -15.412 -6.031 1.00 52.01 H new ATOM 1148 N ALA B 9 3.897 -12.900 -6.242 1.00 32.31 N ATOM 1149 CA ALA B 9 4.816 -12.104 -5.440 1.00 4.20 C ATOM 1150 C ALA B 9 4.929 -10.683 -5.982 1.00 25.15 C ATOM 1151 O ALA B 9 5.056 -9.725 -5.220 1.00 44.30 O ATOM 1152 CB ALA B 9 6.187 -12.764 -5.396 1.00 31.53 C ATOM 0 H ALA B 9 4.347 -13.612 -6.817 1.00 32.31 H new ATOM 0 HA ALA B 9 4.419 -12.048 -4.426 1.00 4.20 H new ATOM 0 HB1 ALA B 9 6.863 -12.158 -4.793 1.00 31.53 H new ATOM 0 HB2 ALA B 9 6.099 -13.757 -4.955 1.00 31.53 H new ATOM 0 HB3 ALA B 9 6.582 -12.850 -6.408 1.00 31.53 H new ATOM 1158 N LYS B 10 4.883 -10.554 -7.304 1.00 14.00 N ATOM 1159 CA LYS B 10 4.979 -9.251 -7.950 1.00 14.32 C ATOM 1160 C LYS B 10 3.907 -8.302 -7.423 1.00 71.11 C ATOM 1161 O LYS B 10 4.068 -7.082 -7.464 1.00 50.35 O ATOM 1162 CB LYS B 10 4.843 -9.399 -9.467 1.00 50.41 C ATOM 1163 CG LYS B 10 5.743 -10.471 -10.055 1.00 65.44 C ATOM 1164 CD LYS B 10 6.046 -10.202 -11.520 1.00 61.13 C ATOM 1165 CE LYS B 10 5.102 -10.967 -12.434 1.00 71.43 C ATOM 1166 NZ LYS B 10 4.969 -10.313 -13.766 1.00 21.14 N ATOM 0 H LYS B 10 4.780 -11.337 -7.949 1.00 14.00 H new ATOM 0 HA LYS B 10 5.958 -8.830 -7.719 1.00 14.32 H new ATOM 0 HB2 LYS B 10 3.806 -9.633 -9.710 1.00 50.41 H new ATOM 0 HB3 LYS B 10 5.073 -8.444 -9.939 1.00 50.41 H new ATOM 0 HG2 LYS B 10 6.675 -10.514 -9.492 1.00 65.44 H new ATOM 0 HG3 LYS B 10 5.264 -11.445 -9.954 1.00 65.44 H new ATOM 0 HD2 LYS B 10 5.962 -9.134 -11.720 1.00 61.13 H new ATOM 0 HD3 LYS B 10 7.075 -10.487 -11.738 1.00 61.13 H new ATOM 0 HE2 LYS B 10 5.468 -11.985 -12.564 1.00 71.43 H new ATOM 0 HE3 LYS B 10 4.121 -11.039 -11.965 1.00 71.43 H new ATOM 0 HZ1 LYS B 10 4.344 -10.883 -14.372 1.00 21.14 H new ATOM 0 HZ2 LYS B 10 4.564 -9.363 -13.647 1.00 21.14 H new ATOM 0 HZ3 LYS B 10 5.906 -10.237 -14.210 1.00 21.14 H new ATOM 1180 N LEU B 11 2.813 -8.870 -6.927 1.00 52.31 N ATOM 1181 CA LEU B 11 1.715 -8.074 -6.389 1.00 60.43 C ATOM 1182 C LEU B 11 2.222 -7.069 -5.361 1.00 72.13 C ATOM 1183 O LEU B 11 1.834 -5.900 -5.377 1.00 42.31 O ATOM 1184 CB LEU B 11 0.663 -8.985 -5.753 1.00 63.53 C ATOM 1185 CG LEU B 11 0.072 -10.064 -6.661 1.00 34.42 C ATOM 1186 CD1 LEU B 11 -0.825 -10.999 -5.865 1.00 74.20 C ATOM 1187 CD2 LEU B 11 -0.701 -9.430 -7.809 1.00 63.55 C ATOM 0 H LEU B 11 2.663 -9.878 -6.886 1.00 52.31 H new ATOM 0 HA LEU B 11 1.261 -7.524 -7.213 1.00 60.43 H new ATOM 0 HB2 LEU B 11 1.110 -9.472 -4.886 1.00 63.53 H new ATOM 0 HB3 LEU B 11 -0.152 -8.363 -5.384 1.00 63.53 H new ATOM 0 HG LEU B 11 0.891 -10.648 -7.079 1.00 34.42 H new ATOM 0 HD11 LEU B 11 -1.237 -11.760 -6.528 1.00 74.20 H new ATOM 0 HD12 LEU B 11 -0.243 -11.479 -5.078 1.00 74.20 H new ATOM 0 HD13 LEU B 11 -1.639 -10.429 -5.418 1.00 74.20 H new ATOM 0 HD21 LEU B 11 -1.115 -10.213 -8.445 1.00 63.55 H new ATOM 0 HD22 LEU B 11 -1.512 -8.821 -7.409 1.00 63.55 H new ATOM 0 HD23 LEU B 11 -0.031 -8.802 -8.396 1.00 63.55 H new ATOM 1199 N PHE B 12 3.093 -7.530 -4.470 1.00 54.23 N ATOM 1200 CA PHE B 12 3.655 -6.670 -3.435 1.00 63.23 C ATOM 1201 C PHE B 12 4.688 -5.715 -4.023 1.00 44.24 C ATOM 1202 O PHE B 12 4.900 -4.618 -3.507 1.00 3.13 O ATOM 1203 CB PHE B 12 4.295 -7.516 -2.333 1.00 2.52 C ATOM 1204 CG PHE B 12 3.311 -8.365 -1.580 1.00 62.32 C ATOM 1205 CD1 PHE B 12 2.092 -7.844 -1.178 1.00 21.13 C ATOM 1206 CD2 PHE B 12 3.605 -9.685 -1.275 1.00 12.20 C ATOM 1207 CE1 PHE B 12 1.185 -8.623 -0.485 1.00 12.00 C ATOM 1208 CE2 PHE B 12 2.701 -10.469 -0.583 1.00 5.54 C ATOM 1209 CZ PHE B 12 1.490 -9.937 -0.188 1.00 30.11 C ATOM 0 H PHE B 12 3.425 -8.494 -4.444 1.00 54.23 H new ATOM 0 HA PHE B 12 2.844 -6.081 -3.007 1.00 63.23 H new ATOM 0 HB2 PHE B 12 5.054 -8.160 -2.776 1.00 2.52 H new ATOM 0 HB3 PHE B 12 4.806 -6.857 -1.631 1.00 2.52 H new ATOM 0 HD1 PHE B 12 1.848 -6.818 -1.409 1.00 21.13 H new ATOM 0 HD2 PHE B 12 4.551 -10.106 -1.582 1.00 12.20 H new ATOM 0 HE1 PHE B 12 0.238 -8.205 -0.176 1.00 12.00 H new ATOM 0 HE2 PHE B 12 2.942 -11.496 -0.352 1.00 5.54 H new ATOM 0 HZ PHE B 12 0.782 -10.547 0.353 1.00 30.11 H new ATOM 1219 N GLU B 13 5.329 -6.140 -5.108 1.00 44.12 N ATOM 1220 CA GLU B 13 6.341 -5.322 -5.766 1.00 3.13 C ATOM 1221 C GLU B 13 5.762 -3.975 -6.190 1.00 64.34 C ATOM 1222 O GLU B 13 6.439 -2.950 -6.128 1.00 64.43 O ATOM 1223 CB GLU B 13 6.906 -6.054 -6.986 1.00 40.14 C ATOM 1224 CG GLU B 13 8.425 -6.089 -7.026 1.00 34.10 C ATOM 1225 CD GLU B 13 8.965 -6.383 -8.412 1.00 33.24 C ATOM 1226 OE1 GLU B 13 9.721 -5.544 -8.944 1.00 42.53 O ATOM 1227 OE2 GLU B 13 8.633 -7.452 -8.964 1.00 73.52 O ATOM 0 H GLU B 13 5.165 -7.045 -5.549 1.00 44.12 H new ATOM 0 HA GLU B 13 7.146 -5.143 -5.053 1.00 3.13 H new ATOM 0 HB2 GLU B 13 6.527 -7.076 -6.993 1.00 40.14 H new ATOM 0 HB3 GLU B 13 6.538 -5.571 -7.891 1.00 40.14 H new ATOM 0 HG2 GLU B 13 8.816 -5.131 -6.683 1.00 34.10 H new ATOM 0 HG3 GLU B 13 8.786 -6.847 -6.331 1.00 34.10 H new ATOM 1235 N GLU B 14 4.505 -3.988 -6.622 1.00 1.24 N ATOM 1236 CA GLU B 14 3.835 -2.768 -7.057 1.00 11.14 C ATOM 1237 C GLU B 14 3.444 -1.905 -5.861 1.00 35.33 C ATOM 1238 O GLU B 14 3.480 -0.677 -5.930 1.00 32.23 O ATOM 1239 CB GLU B 14 2.592 -3.109 -7.882 1.00 42.11 C ATOM 1240 CG GLU B 14 2.880 -4.008 -9.073 1.00 40.43 C ATOM 1241 CD GLU B 14 1.957 -3.736 -10.245 1.00 33.34 C ATOM 1242 OE1 GLU B 14 2.226 -2.782 -11.003 1.00 3.21 O ATOM 1243 OE2 GLU B 14 0.964 -4.478 -10.403 1.00 2.14 O ATOM 0 H GLU B 14 3.931 -4.829 -6.680 1.00 1.24 H new ATOM 0 HA GLU B 14 4.531 -2.204 -7.678 1.00 11.14 H new ATOM 0 HB2 GLU B 14 1.861 -3.597 -7.237 1.00 42.11 H new ATOM 0 HB3 GLU B 14 2.137 -2.184 -8.237 1.00 42.11 H new ATOM 0 HG2 GLU B 14 3.914 -3.867 -9.389 1.00 40.43 H new ATOM 0 HG3 GLU B 14 2.779 -5.050 -8.770 1.00 40.43 H new ATOM 1251 N TRP B 15 3.071 -2.558 -4.765 1.00 71.55 N ATOM 1252 CA TRP B 15 2.672 -1.851 -3.554 1.00 52.42 C ATOM 1253 C TRP B 15 3.750 -0.864 -3.120 1.00 52.20 C ATOM 1254 O TRP B 15 3.482 0.324 -2.938 1.00 43.41 O ATOM 1255 CB TRP B 15 2.391 -2.846 -2.428 1.00 14.54 C ATOM 1256 CG TRP B 15 1.103 -3.593 -2.601 1.00 63.23 C ATOM 1257 CD1 TRP B 15 0.481 -3.889 -3.781 1.00 11.42 C ATOM 1258 CD2 TRP B 15 0.280 -4.137 -1.564 1.00 52.24 C ATOM 1259 NE1 TRP B 15 -0.679 -4.583 -3.539 1.00 32.22 N ATOM 1260 CE2 TRP B 15 -0.825 -4.749 -2.187 1.00 0.01 C ATOM 1261 CE3 TRP B 15 0.370 -4.167 -0.170 1.00 31.33 C ATOM 1262 CZ2 TRP B 15 -1.831 -5.383 -1.462 1.00 1.44 C ATOM 1263 CZ3 TRP B 15 -0.630 -4.796 0.548 1.00 4.15 C ATOM 1264 CH2 TRP B 15 -1.717 -5.398 -0.098 1.00 51.23 C ATOM 0 H TRP B 15 3.037 -3.575 -4.691 1.00 71.55 H new ATOM 0 HA TRP B 15 1.761 -1.293 -3.772 1.00 52.42 H new ATOM 0 HB2 TRP B 15 3.212 -3.561 -2.371 1.00 14.54 H new ATOM 0 HB3 TRP B 15 2.368 -2.312 -1.478 1.00 14.54 H new ATOM 0 HD1 TRP B 15 0.848 -3.617 -4.760 1.00 11.42 H new ATOM 0 HE1 TRP B 15 -1.327 -4.920 -4.251 1.00 32.22 H new ATOM 0 HE3 TRP B 15 1.205 -3.707 0.337 1.00 31.33 H new ATOM 0 HZ2 TRP B 15 -2.671 -5.846 -1.958 1.00 1.44 H new ATOM 0 HZ3 TRP B 15 -0.572 -4.824 1.626 1.00 4.15 H new ATOM 0 HH2 TRP B 15 -2.480 -5.884 0.492 1.00 51.23 H new ATOM 1275 N LYS B 16 4.971 -1.362 -2.955 1.00 20.21 N ATOM 1276 CA LYS B 16 6.090 -0.524 -2.544 1.00 44.11 C ATOM 1277 C LYS B 16 6.480 0.448 -3.654 1.00 13.32 C ATOM 1278 O LYS B 16 7.057 1.504 -3.394 1.00 2.25 O ATOM 1279 CB LYS B 16 7.293 -1.393 -2.168 1.00 30.24 C ATOM 1280 CG LYS B 16 7.805 -2.251 -3.312 1.00 63.41 C ATOM 1281 CD LYS B 16 9.293 -2.046 -3.540 1.00 60.41 C ATOM 1282 CE LYS B 16 9.858 -3.085 -4.497 1.00 64.31 C ATOM 1283 NZ LYS B 16 11.342 -3.174 -4.406 1.00 34.35 N ATOM 0 H LYS B 16 5.210 -2.343 -3.100 1.00 20.21 H new ATOM 0 HA LYS B 16 5.778 0.053 -1.673 1.00 44.11 H new ATOM 0 HB2 LYS B 16 8.100 -0.749 -1.818 1.00 30.24 H new ATOM 0 HB3 LYS B 16 7.017 -2.040 -1.335 1.00 30.24 H new ATOM 0 HG2 LYS B 16 7.610 -3.301 -3.095 1.00 63.41 H new ATOM 0 HG3 LYS B 16 7.259 -2.007 -4.223 1.00 63.41 H new ATOM 0 HD2 LYS B 16 9.467 -1.048 -3.941 1.00 60.41 H new ATOM 0 HD3 LYS B 16 9.820 -2.103 -2.587 1.00 60.41 H new ATOM 0 HE2 LYS B 16 9.421 -4.059 -4.275 1.00 64.31 H new ATOM 0 HE3 LYS B 16 9.571 -2.832 -5.518 1.00 64.31 H new ATOM 0 HZ1 LYS B 16 11.688 -3.893 -5.073 1.00 34.35 H new ATOM 0 HZ2 LYS B 16 11.760 -2.252 -4.643 1.00 34.35 H new ATOM 0 HZ3 LYS B 16 11.615 -3.440 -3.438 1.00 34.35 H new ATOM 1297 N LYS B 17 6.157 0.085 -4.890 1.00 45.24 N ATOM 1298 CA LYS B 17 6.470 0.926 -6.040 1.00 54.43 C ATOM 1299 C LYS B 17 5.594 2.174 -6.055 1.00 53.33 C ATOM 1300 O LYS B 17 6.095 3.296 -6.147 1.00 52.33 O ATOM 1301 CB LYS B 17 6.279 0.140 -7.339 1.00 51.40 C ATOM 1302 CG LYS B 17 7.541 0.037 -8.178 1.00 62.23 C ATOM 1303 CD LYS B 17 7.525 -1.202 -9.058 1.00 50.34 C ATOM 1304 CE LYS B 17 8.866 -1.921 -9.032 1.00 10.13 C ATOM 1305 NZ LYS B 17 9.358 -2.228 -10.402 1.00 72.35 N ATOM 0 H LYS B 17 5.679 -0.786 -5.122 1.00 45.24 H new ATOM 0 HA LYS B 17 7.512 1.236 -5.960 1.00 54.43 H new ATOM 0 HB2 LYS B 17 5.930 -0.864 -7.098 1.00 51.40 H new ATOM 0 HB3 LYS B 17 5.497 0.616 -7.931 1.00 51.40 H new ATOM 0 HG2 LYS B 17 7.638 0.926 -8.801 1.00 62.23 H new ATOM 0 HG3 LYS B 17 8.413 0.009 -7.524 1.00 62.23 H new ATOM 0 HD2 LYS B 17 6.741 -1.880 -8.720 1.00 50.34 H new ATOM 0 HD3 LYS B 17 7.282 -0.919 -10.082 1.00 50.34 H new ATOM 0 HE2 LYS B 17 9.599 -1.303 -8.513 1.00 10.13 H new ATOM 0 HE3 LYS B 17 8.771 -2.847 -8.465 1.00 10.13 H new ATOM 0 HZ1 LYS B 17 10.274 -2.718 -10.340 1.00 72.35 H new ATOM 0 HZ2 LYS B 17 8.671 -2.838 -10.889 1.00 72.35 H new ATOM 0 HZ3 LYS B 17 9.474 -1.343 -10.936 1.00 72.35 H new ATOM 1319 N LEU B 18 4.284 1.974 -5.964 1.00 15.32 N ATOM 1320 CA LEU B 18 3.337 3.084 -5.965 1.00 31.23 C ATOM 1321 C LEU B 18 3.678 4.091 -4.872 1.00 13.50 C ATOM 1322 O LEU B 18 3.501 5.297 -5.047 1.00 63.33 O ATOM 1323 CB LEU B 18 1.912 2.565 -5.769 1.00 74.11 C ATOM 1324 CG LEU B 18 1.424 1.539 -6.793 1.00 53.24 C ATOM 1325 CD1 LEU B 18 0.505 0.522 -6.135 1.00 71.15 C ATOM 1326 CD2 LEU B 18 0.715 2.235 -7.947 1.00 11.25 C ATOM 0 H LEU B 18 3.853 1.053 -5.889 1.00 15.32 H new ATOM 0 HA LEU B 18 3.405 3.586 -6.930 1.00 31.23 H new ATOM 0 HB2 LEU B 18 1.842 2.119 -4.777 1.00 74.11 H new ATOM 0 HB3 LEU B 18 1.231 3.416 -5.785 1.00 74.11 H new ATOM 0 HG LEU B 18 2.290 1.010 -7.190 1.00 53.24 H new ATOM 0 HD11 LEU B 18 0.168 -0.199 -6.880 1.00 71.15 H new ATOM 0 HD12 LEU B 18 1.045 0.002 -5.344 1.00 71.15 H new ATOM 0 HD13 LEU B 18 -0.358 1.034 -5.709 1.00 71.15 H new ATOM 0 HD21 LEU B 18 0.374 1.491 -8.667 1.00 11.25 H new ATOM 0 HD22 LEU B 18 -0.142 2.790 -7.566 1.00 11.25 H new ATOM 0 HD23 LEU B 18 1.405 2.923 -8.436 1.00 11.25 H new ATOM 1338 N ALA B 19 4.171 3.589 -3.744 1.00 53.34 N ATOM 1339 CA ALA B 19 4.540 4.446 -2.623 1.00 64.43 C ATOM 1340 C ALA B 19 5.647 5.419 -3.018 1.00 61.54 C ATOM 1341 O ALA B 19 5.689 6.552 -2.541 1.00 12.45 O ATOM 1342 CB ALA B 19 4.977 3.602 -1.436 1.00 30.12 C ATOM 0 H ALA B 19 4.324 2.594 -3.582 1.00 53.34 H new ATOM 0 HA ALA B 19 3.664 5.028 -2.338 1.00 64.43 H new ATOM 0 HB1 ALA B 19 5.250 4.254 -0.606 1.00 30.12 H new ATOM 0 HB2 ALA B 19 4.158 2.951 -1.131 1.00 30.12 H new ATOM 0 HB3 ALA B 19 5.837 2.995 -1.718 1.00 30.12 H new ATOM 1348 N GLU B 20 6.541 4.967 -3.893 1.00 72.14 N ATOM 1349 CA GLU B 20 7.648 5.799 -4.350 1.00 43.20 C ATOM 1350 C GLU B 20 7.135 7.090 -4.982 1.00 14.33 C ATOM 1351 O GLU B 20 7.597 8.181 -4.650 1.00 30.40 O ATOM 1352 CB GLU B 20 8.509 5.032 -5.356 1.00 52.34 C ATOM 1353 CG GLU B 20 8.904 3.642 -4.886 1.00 52.33 C ATOM 1354 CD GLU B 20 10.407 3.458 -4.807 1.00 34.40 C ATOM 1355 OE1 GLU B 20 11.075 4.303 -4.177 1.00 41.20 O ATOM 1356 OE2 GLU B 20 10.914 2.469 -5.376 1.00 41.30 O ATOM 0 H GLU B 20 6.520 4.031 -4.299 1.00 72.14 H new ATOM 0 HA GLU B 20 8.257 6.057 -3.483 1.00 43.20 H new ATOM 0 HB2 GLU B 20 7.965 4.947 -6.297 1.00 52.34 H new ATOM 0 HB3 GLU B 20 9.412 5.607 -5.561 1.00 52.34 H new ATOM 0 HG2 GLU B 20 8.467 3.457 -3.905 1.00 52.33 H new ATOM 0 HG3 GLU B 20 8.486 2.900 -5.566 1.00 52.33 H new ATOM 1364 N GLU B 21 6.177 6.955 -5.894 1.00 1.10 N ATOM 1365 CA GLU B 21 5.603 8.110 -6.573 1.00 14.12 C ATOM 1366 C GLU B 21 4.683 8.889 -5.638 1.00 52.41 C ATOM 1367 O GLU B 21 4.797 10.108 -5.510 1.00 33.14 O ATOM 1368 CB GLU B 21 4.828 7.666 -7.815 1.00 51.31 C ATOM 1369 CG GLU B 21 5.632 6.779 -8.749 1.00 65.55 C ATOM 1370 CD GLU B 21 5.944 7.454 -10.071 1.00 43.03 C ATOM 1371 OE1 GLU B 21 5.042 7.514 -10.933 1.00 52.15 O ATOM 1372 OE2 GLU B 21 7.089 7.922 -10.244 1.00 40.42 O ATOM 0 H GLU B 21 5.783 6.058 -6.179 1.00 1.10 H new ATOM 0 HA GLU B 21 6.421 8.763 -6.878 1.00 14.12 H new ATOM 0 HB2 GLU B 21 3.932 7.131 -7.501 1.00 51.31 H new ATOM 0 HB3 GLU B 21 4.497 8.549 -8.361 1.00 51.31 H new ATOM 0 HG2 GLU B 21 6.565 6.495 -8.261 1.00 65.55 H new ATOM 0 HG3 GLU B 21 5.078 5.859 -8.937 1.00 65.55 H new ATOM 1380 N ALA B 22 3.770 8.176 -4.986 1.00 54.14 N ATOM 1381 CA ALA B 22 2.831 8.799 -4.062 1.00 35.14 C ATOM 1382 C ALA B 22 3.564 9.588 -2.983 1.00 3.22 C ATOM 1383 O ALA B 22 3.057 10.591 -2.481 1.00 25.12 O ATOM 1384 CB ALA B 22 1.935 7.745 -3.429 1.00 74.42 C ATOM 0 H ALA B 22 3.661 7.166 -5.081 1.00 54.14 H new ATOM 0 HA ALA B 22 2.212 9.495 -4.628 1.00 35.14 H new ATOM 0 HB1 ALA B 22 1.239 8.225 -2.741 1.00 74.42 H new ATOM 0 HB2 ALA B 22 1.376 7.227 -4.208 1.00 74.42 H new ATOM 0 HB3 ALA B 22 2.547 7.027 -2.883 1.00 74.42 H new ATOM 1390 N ALA B 23 4.760 9.128 -2.629 1.00 32.44 N ATOM 1391 CA ALA B 23 5.563 9.791 -1.610 1.00 1.30 C ATOM 1392 C ALA B 23 6.109 11.121 -2.121 1.00 42.22 C ATOM 1393 O ALA B 23 5.914 12.165 -1.498 1.00 75.32 O ATOM 1394 CB ALA B 23 6.704 8.888 -1.165 1.00 20.11 C ATOM 0 H ALA B 23 5.194 8.298 -3.034 1.00 32.44 H new ATOM 0 HA ALA B 23 4.920 9.995 -0.754 1.00 1.30 H new ATOM 0 HB1 ALA B 23 7.295 9.397 -0.404 1.00 20.11 H new ATOM 0 HB2 ALA B 23 6.298 7.965 -0.752 1.00 20.11 H new ATOM 0 HB3 ALA B 23 7.338 8.654 -2.020 1.00 20.11 H new ATOM 1400 N LYS B 24 6.795 11.076 -3.258 1.00 74.41 N ATOM 1401 CA LYS B 24 7.368 12.277 -3.854 1.00 70.11 C ATOM 1402 C LYS B 24 6.275 13.268 -4.242 1.00 33.34 C ATOM 1403 O LYS B 24 6.463 14.482 -4.150 1.00 53.01 O ATOM 1404 CB LYS B 24 8.200 11.912 -5.087 1.00 14.55 C ATOM 1405 CG LYS B 24 7.433 11.105 -6.120 1.00 5.32 C ATOM 1406 CD LYS B 24 8.304 10.762 -7.318 1.00 3.43 C ATOM 1407 CE LYS B 24 9.406 9.783 -6.942 1.00 23.22 C ATOM 1408 NZ LYS B 24 10.760 10.329 -7.240 1.00 13.03 N ATOM 0 H LYS B 24 6.968 10.220 -3.785 1.00 74.41 H new ATOM 0 HA LYS B 24 8.014 12.747 -3.112 1.00 70.11 H new ATOM 0 HB2 LYS B 24 8.566 12.827 -5.552 1.00 14.55 H new ATOM 0 HB3 LYS B 24 9.074 11.344 -4.770 1.00 14.55 H new ATOM 0 HG2 LYS B 24 7.062 10.187 -5.664 1.00 5.32 H new ATOM 0 HG3 LYS B 24 6.562 11.671 -6.452 1.00 5.32 H new ATOM 0 HD2 LYS B 24 7.687 10.332 -8.107 1.00 3.43 H new ATOM 0 HD3 LYS B 24 8.747 11.673 -7.721 1.00 3.43 H new ATOM 0 HE2 LYS B 24 9.335 9.547 -5.880 1.00 23.22 H new ATOM 0 HE3 LYS B 24 9.263 8.849 -7.486 1.00 23.22 H new ATOM 0 HZ1 LYS B 24 11.483 9.632 -6.969 1.00 13.03 H new ATOM 0 HZ2 LYS B 24 10.837 10.530 -8.257 1.00 13.03 H new ATOM 0 HZ3 LYS B 24 10.907 11.206 -6.701 1.00 13.03 H new ATOM 1422 N LEU B 25 5.133 12.744 -4.673 1.00 12.04 N ATOM 1423 CA LEU B 25 4.009 13.583 -5.072 1.00 14.02 C ATOM 1424 C LEU B 25 3.285 14.142 -3.851 1.00 2.51 C ATOM 1425 O LEU B 25 2.858 15.297 -3.844 1.00 34.01 O ATOM 1426 CB LEU B 25 3.032 12.783 -5.935 1.00 75.50 C ATOM 1427 CG LEU B 25 3.137 13.001 -7.445 1.00 13.05 C ATOM 1428 CD1 LEU B 25 2.109 12.154 -8.179 1.00 60.11 C ATOM 1429 CD2 LEU B 25 2.958 14.473 -7.784 1.00 62.14 C ATOM 0 H LEU B 25 4.961 11.742 -4.755 1.00 12.04 H new ATOM 0 HA LEU B 25 4.400 14.418 -5.653 1.00 14.02 H new ATOM 0 HB2 LEU B 25 3.181 11.723 -5.730 1.00 75.50 H new ATOM 0 HB3 LEU B 25 2.017 13.028 -5.622 1.00 75.50 H new ATOM 0 HG LEU B 25 4.131 12.692 -7.770 1.00 13.05 H new ATOM 0 HD11 LEU B 25 2.199 12.322 -9.252 1.00 60.11 H new ATOM 0 HD12 LEU B 25 2.283 11.100 -7.961 1.00 60.11 H new ATOM 0 HD13 LEU B 25 1.107 12.432 -7.851 1.00 60.11 H new ATOM 0 HD21 LEU B 25 3.036 14.610 -8.863 1.00 62.14 H new ATOM 0 HD22 LEU B 25 1.978 14.808 -7.445 1.00 62.14 H new ATOM 0 HD23 LEU B 25 3.732 15.058 -7.287 1.00 62.14 H new ATOM 1441 N LEU B 26 3.154 13.316 -2.817 1.00 50.15 N ATOM 1442 CA LEU B 26 2.486 13.729 -1.589 1.00 34.34 C ATOM 1443 C LEU B 26 3.046 15.053 -1.082 1.00 11.34 C ATOM 1444 O LEU B 26 2.296 15.983 -0.784 1.00 23.11 O ATOM 1445 CB LEU B 26 2.641 12.651 -0.514 1.00 71.33 C ATOM 1446 CG LEU B 26 1.454 11.703 -0.338 1.00 14.14 C ATOM 1447 CD1 LEU B 26 1.890 10.425 0.360 1.00 10.22 C ATOM 1448 CD2 LEU B 26 0.338 12.384 0.442 1.00 0.21 C ATOM 0 H LEU B 26 3.502 12.357 -2.806 1.00 50.15 H new ATOM 0 HA LEU B 26 1.427 13.865 -1.809 1.00 34.34 H new ATOM 0 HB2 LEU B 26 3.524 12.056 -0.749 1.00 71.33 H new ATOM 0 HB3 LEU B 26 2.832 13.142 0.440 1.00 71.33 H new ATOM 0 HG LEU B 26 1.074 11.442 -1.326 1.00 14.14 H new ATOM 0 HD11 LEU B 26 1.032 9.763 0.476 1.00 10.22 H new ATOM 0 HD12 LEU B 26 2.654 9.927 -0.237 1.00 10.22 H new ATOM 0 HD13 LEU B 26 2.297 10.667 1.342 1.00 10.22 H new ATOM 0 HD21 LEU B 26 -0.498 11.695 0.558 1.00 0.21 H new ATOM 0 HD22 LEU B 26 0.707 12.675 1.426 1.00 0.21 H new ATOM 0 HD23 LEU B 26 0.005 13.271 -0.098 1.00 0.21 H new ATOM 1460 N GLU B 27 4.370 15.133 -0.987 1.00 4.12 N ATOM 1461 CA GLU B 27 5.031 16.345 -0.517 1.00 33.35 C ATOM 1462 C GLU B 27 5.370 17.267 -1.685 1.00 31.01 C ATOM 1463 O GLU B 27 6.125 18.226 -1.533 1.00 51.01 O ATOM 1464 CB GLU B 27 6.304 15.991 0.255 1.00 51.43 C ATOM 1465 CG GLU B 27 6.120 14.853 1.244 1.00 55.44 C ATOM 1466 CD GLU B 27 7.375 14.568 2.046 1.00 70.14 C ATOM 1467 OE1 GLU B 27 7.810 15.462 2.802 1.00 2.23 O ATOM 1468 OE2 GLU B 27 7.921 13.453 1.917 1.00 2.13 O ATOM 0 H GLU B 27 5.006 14.373 -1.229 1.00 4.12 H new ATOM 0 HA GLU B 27 4.345 16.868 0.149 1.00 33.35 H new ATOM 0 HB2 GLU B 27 7.086 15.721 -0.455 1.00 51.43 H new ATOM 0 HB3 GLU B 27 6.651 16.874 0.791 1.00 51.43 H new ATOM 0 HG2 GLU B 27 5.305 15.097 1.926 1.00 55.44 H new ATOM 0 HG3 GLU B 27 5.825 13.952 0.705 1.00 55.44 H new ATOM 1476 N GLY B 28 4.805 16.967 -2.851 1.00 44.30 N ATOM 1477 CA GLY B 28 5.061 17.778 -4.028 1.00 15.45 C ATOM 1478 C GLY B 28 4.642 19.222 -3.838 1.00 70.22 C ATOM 1479 O GLY B 28 5.019 20.093 -4.622 1.00 24.14 O ATOM 0 H GLY B 28 4.176 16.178 -3.002 1.00 44.30 H new ATOM 0 HA2 GLY B 28 6.124 17.740 -4.268 1.00 15.45 H new ATOM 0 HA3 GLY B 28 4.526 17.357 -4.879 1.00 15.45 H new ATOM 1483 N GLY B 29 3.856 19.478 -2.796 1.00 65.35 N ATOM 1484 CA GLY B 29 3.397 20.827 -2.527 1.00 54.30 C ATOM 1485 C GLY B 29 1.922 20.880 -2.178 1.00 23.05 C ATOM 1486 O GLY B 29 1.183 21.711 -2.701 1.00 72.42 O ATOM 0 H GLY B 29 3.529 18.774 -2.134 1.00 65.35 H new ATOM 0 HA2 GLY B 29 3.977 21.247 -1.705 1.00 54.30 H new ATOM 0 HA3 GLY B 29 3.583 21.452 -3.401 1.00 54.30 H new ATOM 1490 N GLY B 30 1.494 19.986 -1.291 1.00 60.42 N ATOM 1491 CA GLY B 30 0.100 19.949 -0.890 1.00 51.52 C ATOM 1492 C GLY B 30 -0.149 18.984 0.252 1.00 2.11 C ATOM 1493 O GLY B 30 -0.680 19.367 1.294 1.00 55.45 O ATOM 0 H GLY B 30 2.088 19.288 -0.844 1.00 60.42 H new ATOM 0 HA2 GLY B 30 -0.216 20.949 -0.592 1.00 51.52 H new ATOM 0 HA3 GLY B 30 -0.513 19.662 -1.744 1.00 51.52 H new ATOM 1497 N GLY B 31 0.235 17.727 0.057 1.00 30.53 N ATOM 1498 CA GLY B 31 0.039 16.723 1.087 1.00 64.31 C ATOM 1499 C GLY B 31 0.690 17.106 2.401 1.00 42.24 C ATOM 1500 O GLY B 31 1.896 17.348 2.457 1.00 13.31 O ATOM 0 H GLY B 31 0.678 17.385 -0.796 1.00 30.53 H new ATOM 0 HA2 GLY B 31 -1.029 16.572 1.245 1.00 64.31 H new ATOM 0 HA3 GLY B 31 0.448 15.772 0.746 1.00 64.31 H new ATOM 1504 N GLY B 32 -0.109 17.162 3.462 1.00 43.34 N ATOM 1505 CA GLY B 32 0.414 17.522 4.766 1.00 13.10 C ATOM 1506 C GLY B 32 1.293 16.438 5.358 1.00 71.43 C ATOM 1507 O GLY B 32 2.316 16.074 4.779 1.00 20.30 O ATOM 0 H GLY B 32 -1.109 16.964 3.441 1.00 43.34 H new ATOM 0 HA2 GLY B 32 0.988 18.445 4.682 1.00 13.10 H new ATOM 0 HA3 GLY B 32 -0.416 17.723 5.444 1.00 13.10 H new ATOM 1511 N GLY B 33 0.894 15.921 6.516 1.00 63.34 N ATOM 1512 CA GLY B 33 1.666 14.878 7.167 1.00 72.24 C ATOM 1513 C GLY B 33 2.647 15.431 8.182 1.00 32.01 C ATOM 1514 O GLY B 33 2.258 16.137 9.111 1.00 34.44 O ATOM 0 H GLY B 33 0.051 16.205 7.015 1.00 63.34 H new ATOM 0 HA2 GLY B 33 0.988 14.184 7.663 1.00 72.24 H new ATOM 0 HA3 GLY B 33 2.210 14.309 6.413 1.00 72.24 H new ATOM 1518 N GLY B 34 3.924 15.107 8.006 1.00 43.22 N ATOM 1519 CA GLY B 34 4.943 15.583 8.922 1.00 12.41 C ATOM 1520 C GLY B 34 4.669 15.175 10.356 1.00 41.40 C ATOM 1521 O GLY B 34 4.003 15.897 11.098 1.00 23.15 O ATOM 0 H GLY B 34 4.271 14.523 7.245 1.00 43.22 H new ATOM 0 HA2 GLY B 34 5.914 15.193 8.616 1.00 12.41 H new ATOM 0 HA3 GLY B 34 5.003 16.670 8.862 1.00 12.41 H new ATOM 1525 N GLY B 35 5.183 14.013 10.748 1.00 24.25 N ATOM 1526 CA GLY B 35 4.977 13.530 12.102 1.00 63.42 C ATOM 1527 C GLY B 35 4.637 12.053 12.144 1.00 41.14 C ATOM 1528 O GLY B 35 4.756 11.353 11.139 1.00 11.11 O ATOM 0 H GLY B 35 5.738 13.398 10.153 1.00 24.25 H new ATOM 0 HA2 GLY B 35 5.877 13.710 12.690 1.00 63.42 H new ATOM 0 HA3 GLY B 35 4.173 14.098 12.569 1.00 63.42 H new ATOM 1532 N GLU B 36 4.214 11.578 13.312 1.00 24.22 N ATOM 1533 CA GLU B 36 3.858 10.174 13.481 1.00 61.02 C ATOM 1534 C GLU B 36 2.812 9.751 12.454 1.00 50.11 C ATOM 1535 O GLU B 36 2.790 8.602 12.010 1.00 4.22 O ATOM 1536 CB GLU B 36 3.332 9.926 14.895 1.00 20.53 C ATOM 1537 CG GLU B 36 2.745 8.538 15.091 1.00 1.22 C ATOM 1538 CD GLU B 36 2.796 8.081 16.536 1.00 30.14 C ATOM 1539 OE1 GLU B 36 1.900 7.313 16.947 1.00 4.24 O ATOM 1540 OE2 GLU B 36 3.730 8.491 17.256 1.00 4.42 O ATOM 0 H GLU B 36 4.110 12.144 14.154 1.00 24.22 H new ATOM 0 HA GLU B 36 4.756 9.576 13.326 1.00 61.02 H new ATOM 0 HB2 GLU B 36 4.145 10.071 15.607 1.00 20.53 H new ATOM 0 HB3 GLU B 36 2.569 10.670 15.126 1.00 20.53 H new ATOM 0 HG2 GLU B 36 1.710 8.534 14.749 1.00 1.22 H new ATOM 0 HG3 GLU B 36 3.289 7.827 14.470 1.00 1.22 H new ATOM 1548 N LEU B 37 1.944 10.685 12.083 1.00 54.52 N ATOM 1549 CA LEU B 37 0.893 10.411 11.109 1.00 21.43 C ATOM 1550 C LEU B 37 1.489 10.019 9.761 1.00 32.20 C ATOM 1551 O LEU B 37 1.209 8.941 9.237 1.00 51.32 O ATOM 1552 CB LEU B 37 -0.010 11.635 10.944 1.00 23.25 C ATOM 1553 CG LEU B 37 -1.272 11.430 10.108 1.00 35.43 C ATOM 1554 CD1 LEU B 37 -2.148 10.346 10.720 1.00 62.20 C ATOM 1555 CD2 LEU B 37 -2.046 12.733 9.981 1.00 13.43 C ATOM 0 H LEU B 37 1.947 11.640 12.442 1.00 54.52 H new ATOM 0 HA LEU B 37 0.298 9.576 11.479 1.00 21.43 H new ATOM 0 HB2 LEU B 37 -0.307 11.979 11.935 1.00 23.25 H new ATOM 0 HB3 LEU B 37 0.576 12.435 10.491 1.00 23.25 H new ATOM 0 HG LEU B 37 -0.974 11.109 9.110 1.00 35.43 H new ATOM 0 HD11 LEU B 37 -3.042 10.214 10.111 1.00 62.20 H new ATOM 0 HD12 LEU B 37 -1.593 9.408 10.758 1.00 62.20 H new ATOM 0 HD13 LEU B 37 -2.437 10.638 11.730 1.00 62.20 H new ATOM 0 HD21 LEU B 37 -2.942 12.567 9.382 1.00 13.43 H new ATOM 0 HD22 LEU B 37 -2.332 13.084 10.972 1.00 13.43 H new ATOM 0 HD23 LEU B 37 -1.420 13.483 9.497 1.00 13.43 H new ATOM 1567 N MET B 38 2.314 10.900 9.206 1.00 52.11 N ATOM 1568 CA MET B 38 2.952 10.645 7.919 1.00 11.41 C ATOM 1569 C MET B 38 3.866 9.426 7.999 1.00 73.32 C ATOM 1570 O MET B 38 4.122 8.763 6.994 1.00 11.23 O ATOM 1571 CB MET B 38 3.753 11.868 7.471 1.00 51.22 C ATOM 1572 CG MET B 38 4.376 11.715 6.093 1.00 43.10 C ATOM 1573 SD MET B 38 6.147 12.057 6.091 1.00 31.53 S ATOM 1574 CE MET B 38 6.743 10.761 7.174 1.00 22.44 C ATOM 0 H MET B 38 2.557 11.797 9.627 1.00 52.11 H new ATOM 0 HA MET B 38 2.170 10.445 7.187 1.00 11.41 H new ATOM 0 HB2 MET B 38 3.099 12.740 7.470 1.00 51.22 H new ATOM 0 HB3 MET B 38 4.542 12.062 8.198 1.00 51.22 H new ATOM 0 HG2 MET B 38 4.205 10.701 5.732 1.00 43.10 H new ATOM 0 HG3 MET B 38 3.879 12.390 5.396 1.00 43.10 H new ATOM 0 HE1 MET B 38 7.832 10.795 7.217 1.00 22.44 H new ATOM 0 HE2 MET B 38 6.335 10.907 8.174 1.00 22.44 H new ATOM 0 HE3 MET B 38 6.425 9.791 6.790 1.00 22.44 H new ATOM 1584 N LYS B 39 4.355 9.136 9.200 1.00 14.21 N ATOM 1585 CA LYS B 39 5.239 7.997 9.412 1.00 64.52 C ATOM 1586 C LYS B 39 4.583 6.702 8.941 1.00 54.13 C ATOM 1587 O LYS B 39 5.265 5.756 8.548 1.00 34.40 O ATOM 1588 CB LYS B 39 5.612 7.883 10.891 1.00 3.25 C ATOM 1589 CG LYS B 39 6.826 7.005 11.147 1.00 62.53 C ATOM 1590 CD LYS B 39 6.461 5.771 11.955 1.00 64.35 C ATOM 1591 CE LYS B 39 7.307 4.572 11.551 1.00 20.13 C ATOM 1592 NZ LYS B 39 8.315 4.230 12.593 1.00 64.05 N ATOM 0 H LYS B 39 4.153 9.675 10.042 1.00 14.21 H new ATOM 0 HA LYS B 39 6.144 8.159 8.826 1.00 64.52 H new ATOM 0 HB2 LYS B 39 5.806 8.880 11.286 1.00 3.25 H new ATOM 0 HB3 LYS B 39 4.761 7.482 11.442 1.00 3.25 H new ATOM 0 HG2 LYS B 39 7.264 6.702 10.196 1.00 62.53 H new ATOM 0 HG3 LYS B 39 7.585 7.578 11.679 1.00 62.53 H new ATOM 0 HD2 LYS B 39 6.600 5.975 13.017 1.00 64.35 H new ATOM 0 HD3 LYS B 39 5.406 5.539 11.811 1.00 64.35 H new ATOM 0 HE2 LYS B 39 6.660 3.713 11.376 1.00 20.13 H new ATOM 0 HE3 LYS B 39 7.815 4.786 10.610 1.00 20.13 H new ATOM 0 HZ1 LYS B 39 8.871 3.409 12.281 1.00 64.05 H new ATOM 0 HZ2 LYS B 39 8.949 5.041 12.742 1.00 64.05 H new ATOM 0 HZ3 LYS B 39 7.830 4.001 13.484 1.00 64.05 H new ATOM 1606 N LEU B 40 3.255 6.670 8.982 1.00 22.24 N ATOM 1607 CA LEU B 40 2.505 5.493 8.557 1.00 21.25 C ATOM 1608 C LEU B 40 2.555 5.332 7.042 1.00 73.04 C ATOM 1609 O LEU B 40 2.474 4.219 6.522 1.00 4.31 O ATOM 1610 CB LEU B 40 1.052 5.594 9.024 1.00 0.11 C ATOM 1611 CG LEU B 40 0.743 4.986 10.392 1.00 14.54 C ATOM 1612 CD1 LEU B 40 -0.715 5.214 10.760 1.00 2.02 C ATOM 1613 CD2 LEU B 40 1.071 3.500 10.403 1.00 43.12 C ATOM 0 H LEU B 40 2.676 7.445 9.305 1.00 22.24 H new ATOM 0 HA LEU B 40 2.966 4.616 9.011 1.00 21.25 H new ATOM 0 HB2 LEU B 40 0.770 6.647 9.045 1.00 0.11 H new ATOM 0 HB3 LEU B 40 0.418 5.109 8.282 1.00 0.11 H new ATOM 0 HG LEU B 40 1.367 5.480 11.137 1.00 14.54 H new ATOM 0 HD11 LEU B 40 -0.917 4.774 11.737 1.00 2.02 H new ATOM 0 HD12 LEU B 40 -0.918 6.284 10.795 1.00 2.02 H new ATOM 0 HD13 LEU B 40 -1.356 4.747 10.013 1.00 2.02 H new ATOM 0 HD21 LEU B 40 0.845 3.085 11.385 1.00 43.12 H new ATOM 0 HD22 LEU B 40 0.474 2.990 9.647 1.00 43.12 H new ATOM 0 HD23 LEU B 40 2.130 3.359 10.185 1.00 43.12 H new ATOM 1625 N CYS B 41 2.689 6.452 6.338 1.00 73.32 N ATOM 1626 CA CYS B 41 2.750 6.436 4.881 1.00 22.43 C ATOM 1627 C CYS B 41 4.009 5.721 4.398 1.00 34.11 C ATOM 1628 O CYS B 41 3.975 4.982 3.414 1.00 1.03 O ATOM 1629 CB CYS B 41 2.717 7.863 4.332 1.00 2.54 C ATOM 1630 SG CYS B 41 2.953 7.972 2.543 1.00 4.43 S ATOM 0 H CYS B 41 2.757 7.381 6.753 1.00 73.32 H new ATOM 0 HA CYS B 41 1.880 5.893 4.511 1.00 22.43 H new ATOM 0 HB2 CYS B 41 1.761 8.318 4.590 1.00 2.54 H new ATOM 0 HB3 CYS B 41 3.492 8.449 4.826 1.00 2.54 H new ATOM 0 HG CYS B 41 2.419 6.934 1.971 1.00 4.43 H new ATOM 1636 N GLU B 42 5.117 5.950 5.095 1.00 1.21 N ATOM 1637 CA GLU B 42 6.387 5.330 4.734 1.00 33.43 C ATOM 1638 C GLU B 42 6.386 3.845 5.088 1.00 63.25 C ATOM 1639 O GLU B 42 7.098 3.051 4.474 1.00 43.13 O ATOM 1640 CB GLU B 42 7.544 6.033 5.446 1.00 51.43 C ATOM 1641 CG GLU B 42 8.671 6.446 4.514 1.00 72.24 C ATOM 1642 CD GLU B 42 8.637 7.924 4.176 1.00 43.42 C ATOM 1643 OE1 GLU B 42 8.596 8.257 2.974 1.00 42.13 O ATOM 1644 OE2 GLU B 42 8.653 8.748 5.115 1.00 22.25 O ATOM 0 H GLU B 42 5.161 6.559 5.912 1.00 1.21 H new ATOM 0 HA GLU B 42 6.518 5.430 3.657 1.00 33.43 H new ATOM 0 HB2 GLU B 42 7.162 6.918 5.955 1.00 51.43 H new ATOM 0 HB3 GLU B 42 7.943 5.371 6.214 1.00 51.43 H new ATOM 0 HG2 GLU B 42 9.628 6.205 4.978 1.00 72.24 H new ATOM 0 HG3 GLU B 42 8.608 5.865 3.594 1.00 72.24 H new ATOM 1652 N GLU B 43 5.583 3.479 6.081 1.00 1.03 N ATOM 1653 CA GLU B 43 5.492 2.090 6.518 1.00 70.24 C ATOM 1654 C GLU B 43 5.033 1.190 5.374 1.00 50.54 C ATOM 1655 O GLU B 43 5.395 0.016 5.311 1.00 1.24 O ATOM 1656 CB GLU B 43 4.525 1.966 7.697 1.00 23.13 C ATOM 1657 CG GLU B 43 5.003 2.675 8.953 1.00 50.32 C ATOM 1658 CD GLU B 43 5.769 1.759 9.887 1.00 30.40 C ATOM 1659 OE1 GLU B 43 5.149 1.219 10.827 1.00 15.25 O ATOM 1660 OE2 GLU B 43 6.987 1.580 9.677 1.00 30.42 O ATOM 0 H GLU B 43 4.986 4.124 6.598 1.00 1.03 H new ATOM 0 HA GLU B 43 6.484 1.769 6.835 1.00 70.24 H new ATOM 0 HB2 GLU B 43 3.557 2.373 7.406 1.00 23.13 H new ATOM 0 HB3 GLU B 43 4.372 0.910 7.922 1.00 23.13 H new ATOM 0 HG2 GLU B 43 5.639 3.514 8.672 1.00 50.32 H new ATOM 0 HG3 GLU B 43 4.144 3.089 9.481 1.00 50.32 H new ATOM 1668 N ALA B 44 4.235 1.750 4.471 1.00 20.10 N ATOM 1669 CA ALA B 44 3.728 1.000 3.329 1.00 72.30 C ATOM 1670 C ALA B 44 4.863 0.314 2.576 1.00 61.34 C ATOM 1671 O ALA B 44 4.749 -0.848 2.186 1.00 51.25 O ATOM 1672 CB ALA B 44 2.953 1.918 2.396 1.00 74.02 C ATOM 0 H ALA B 44 3.926 2.721 4.508 1.00 20.10 H new ATOM 0 HA ALA B 44 3.055 0.228 3.703 1.00 72.30 H new ATOM 0 HB1 ALA B 44 2.580 1.344 1.548 1.00 74.02 H new ATOM 0 HB2 ALA B 44 2.113 2.358 2.933 1.00 74.02 H new ATOM 0 HB3 ALA B 44 3.610 2.711 2.037 1.00 74.02 H new ATOM 1678 N ALA B 45 5.957 1.042 2.373 1.00 62.53 N ATOM 1679 CA ALA B 45 7.112 0.503 1.667 1.00 22.04 C ATOM 1680 C ALA B 45 7.889 -0.470 2.549 1.00 43.24 C ATOM 1681 O ALA B 45 8.616 -1.331 2.051 1.00 55.35 O ATOM 1682 CB ALA B 45 8.018 1.632 1.198 1.00 63.44 C ATOM 0 H ALA B 45 6.067 2.006 2.688 1.00 62.53 H new ATOM 0 HA ALA B 45 6.752 -0.045 0.796 1.00 22.04 H new ATOM 0 HB1 ALA B 45 8.877 1.215 0.672 1.00 63.44 H new ATOM 0 HB2 ALA B 45 7.464 2.287 0.526 1.00 63.44 H new ATOM 0 HB3 ALA B 45 8.363 2.204 2.060 1.00 63.44 H new ATOM 1688 N LYS B 46 7.734 -0.326 3.860 1.00 15.31 N ATOM 1689 CA LYS B 46 8.420 -1.190 4.812 1.00 21.35 C ATOM 1690 C LYS B 46 7.820 -2.593 4.803 1.00 11.51 C ATOM 1691 O LYS B 46 8.542 -3.589 4.750 1.00 0.33 O ATOM 1692 CB LYS B 46 8.340 -0.598 6.221 1.00 20.24 C ATOM 1693 CG LYS B 46 9.696 -0.385 6.869 1.00 1.13 C ATOM 1694 CD LYS B 46 9.640 0.692 7.939 1.00 13.13 C ATOM 1695 CE LYS B 46 10.526 1.876 7.586 1.00 43.12 C ATOM 1696 NZ LYS B 46 10.104 2.524 6.312 1.00 0.44 N ATOM 0 H LYS B 46 7.138 0.382 4.288 1.00 15.31 H new ATOM 0 HA LYS B 46 9.466 -1.259 4.513 1.00 21.35 H new ATOM 0 HB2 LYS B 46 7.814 0.356 6.176 1.00 20.24 H new ATOM 0 HB3 LYS B 46 7.746 -1.260 6.851 1.00 20.24 H new ATOM 0 HG2 LYS B 46 10.040 -1.320 7.311 1.00 1.13 H new ATOM 0 HG3 LYS B 46 10.424 -0.105 6.108 1.00 1.13 H new ATOM 0 HD2 LYS B 46 8.611 1.030 8.062 1.00 13.13 H new ATOM 0 HD3 LYS B 46 9.955 0.273 8.895 1.00 13.13 H new ATOM 0 HE2 LYS B 46 10.494 2.607 8.394 1.00 43.12 H new ATOM 0 HE3 LYS B 46 11.560 1.543 7.499 1.00 43.12 H new ATOM 0 HZ1 LYS B 46 10.470 3.497 6.279 1.00 0.44 H new ATOM 0 HZ2 LYS B 46 10.481 1.985 5.507 1.00 0.44 H new ATOM 0 HZ3 LYS B 46 9.065 2.543 6.260 1.00 0.44 H new ATOM 1710 N LYS B 47 6.494 -2.665 4.854 1.00 1.33 N ATOM 1711 CA LYS B 47 5.796 -3.945 4.850 1.00 41.50 C ATOM 1712 C LYS B 47 6.012 -4.677 3.529 1.00 15.34 C ATOM 1713 O LYS B 47 6.483 -5.814 3.509 1.00 12.45 O ATOM 1714 CB LYS B 47 4.299 -3.733 5.090 1.00 3.31 C ATOM 1715 CG LYS B 47 3.930 -3.608 6.558 1.00 40.43 C ATOM 1716 CD LYS B 47 3.840 -2.153 6.987 1.00 3.53 C ATOM 1717 CE LYS B 47 5.017 -1.757 7.866 1.00 31.32 C ATOM 1718 NZ LYS B 47 4.628 -1.648 9.299 1.00 53.30 N ATOM 0 H LYS B 47 5.881 -1.851 4.899 1.00 1.33 H new ATOM 0 HA LYS B 47 6.203 -4.557 5.655 1.00 41.50 H new ATOM 0 HB2 LYS B 47 3.980 -2.832 4.566 1.00 3.31 H new ATOM 0 HB3 LYS B 47 3.748 -4.567 4.655 1.00 3.31 H new ATOM 0 HG2 LYS B 47 2.975 -4.101 6.737 1.00 40.43 H new ATOM 0 HG3 LYS B 47 4.674 -4.123 7.166 1.00 40.43 H new ATOM 0 HD2 LYS B 47 3.812 -1.514 6.105 1.00 3.53 H new ATOM 0 HD3 LYS B 47 2.909 -1.989 7.529 1.00 3.53 H new ATOM 0 HE2 LYS B 47 5.813 -2.494 7.761 1.00 31.32 H new ATOM 0 HE3 LYS B 47 5.420 -0.803 7.526 1.00 31.32 H new ATOM 0 HZ1 LYS B 47 5.458 -1.376 9.864 1.00 53.30 H new ATOM 0 HZ2 LYS B 47 3.887 -0.926 9.404 1.00 53.30 H new ATOM 0 HZ3 LYS B 47 4.268 -2.565 9.632 1.00 53.30 H new ATOM 1732 N ALA B 48 5.664 -4.018 2.430 1.00 64.24 N ATOM 1733 CA ALA B 48 5.823 -4.606 1.104 1.00 11.22 C ATOM 1734 C ALA B 48 7.249 -5.103 0.893 1.00 31.42 C ATOM 1735 O ALA B 48 7.462 -6.215 0.410 1.00 63.34 O ATOM 1736 CB ALA B 48 5.450 -3.595 0.031 1.00 52.01 C ATOM 0 H ALA B 48 5.270 -3.077 2.430 1.00 64.24 H new ATOM 0 HA ALA B 48 5.153 -5.462 1.029 1.00 11.22 H new ATOM 0 HB1 ALA B 48 5.573 -4.047 -0.953 1.00 52.01 H new ATOM 0 HB2 ALA B 48 4.412 -3.291 0.163 1.00 52.01 H new ATOM 0 HB3 ALA B 48 6.097 -2.722 0.113 1.00 52.01 H new ATOM 1742 N GLU B 49 8.221 -4.274 1.257 1.00 44.50 N ATOM 1743 CA GLU B 49 9.627 -4.631 1.104 1.00 15.31 C ATOM 1744 C GLU B 49 10.003 -5.774 2.043 1.00 72.45 C ATOM 1745 O GLU B 49 10.706 -6.705 1.651 1.00 51.21 O ATOM 1746 CB GLU B 49 10.517 -3.417 1.380 1.00 70.13 C ATOM 1747 CG GLU B 49 11.990 -3.668 1.103 1.00 63.13 C ATOM 1748 CD GLU B 49 12.683 -2.462 0.498 1.00 11.03 C ATOM 1749 OE1 GLU B 49 12.415 -2.154 -0.682 1.00 4.11 O ATOM 1750 OE2 GLU B 49 13.493 -1.827 1.205 1.00 53.43 O ATOM 0 H GLU B 49 8.062 -3.351 1.660 1.00 44.50 H new ATOM 0 HA GLU B 49 9.782 -4.961 0.077 1.00 15.31 H new ATOM 0 HB2 GLU B 49 10.178 -2.581 0.768 1.00 70.13 H new ATOM 0 HB3 GLU B 49 10.397 -3.118 2.421 1.00 70.13 H new ATOM 0 HG2 GLU B 49 12.489 -3.941 2.033 1.00 63.13 H new ATOM 0 HG3 GLU B 49 12.089 -4.517 0.427 1.00 63.13 H new ATOM 1758 N GLU B 50 9.528 -5.695 3.282 1.00 44.02 N ATOM 1759 CA GLU B 50 9.816 -6.723 4.276 1.00 3.40 C ATOM 1760 C GLU B 50 9.292 -8.081 3.821 1.00 23.43 C ATOM 1761 O GLU B 50 10.008 -9.083 3.865 1.00 4.52 O ATOM 1762 CB GLU B 50 9.194 -6.348 5.623 1.00 31.44 C ATOM 1763 CG GLU B 50 10.119 -5.541 6.517 1.00 41.43 C ATOM 1764 CD GLU B 50 10.160 -6.066 7.939 1.00 53.40 C ATOM 1765 OE1 GLU B 50 11.275 -6.279 8.461 1.00 73.35 O ATOM 1766 OE2 GLU B 50 9.078 -6.263 8.531 1.00 22.43 O ATOM 0 H GLU B 50 8.943 -4.931 3.621 1.00 44.02 H new ATOM 0 HA GLU B 50 10.898 -6.791 4.390 1.00 3.40 H new ATOM 0 HB2 GLU B 50 8.283 -5.776 5.446 1.00 31.44 H new ATOM 0 HB3 GLU B 50 8.902 -7.259 6.145 1.00 31.44 H new ATOM 0 HG2 GLU B 50 11.126 -5.555 6.099 1.00 41.43 H new ATOM 0 HG3 GLU B 50 9.793 -4.501 6.527 1.00 41.43 H new ATOM 1774 N LEU B 51 8.039 -8.109 3.384 1.00 33.52 N ATOM 1775 CA LEU B 51 7.417 -9.345 2.920 1.00 12.33 C ATOM 1776 C LEU B 51 8.031 -9.802 1.602 1.00 30.32 C ATOM 1777 O LEU B 51 8.293 -10.990 1.405 1.00 1.53 O ATOM 1778 CB LEU B 51 5.909 -9.149 2.753 1.00 62.32 C ATOM 1779 CG LEU B 51 5.178 -8.518 3.939 1.00 62.31 C ATOM 1780 CD1 LEU B 51 4.127 -7.532 3.455 1.00 32.33 C ATOM 1781 CD2 LEU B 51 4.542 -9.595 4.808 1.00 63.14 C ATOM 0 H LEU B 51 7.433 -7.290 3.341 1.00 33.52 H new ATOM 0 HA LEU B 51 7.596 -10.116 3.669 1.00 12.33 H new ATOM 0 HB2 LEU B 51 5.739 -8.527 1.874 1.00 62.32 H new ATOM 0 HB3 LEU B 51 5.457 -10.120 2.548 1.00 62.32 H new ATOM 0 HG LEU B 51 5.905 -7.975 4.542 1.00 62.31 H new ATOM 0 HD11 LEU B 51 3.617 -7.093 4.313 1.00 32.33 H new ATOM 0 HD12 LEU B 51 4.607 -6.743 2.876 1.00 32.33 H new ATOM 0 HD13 LEU B 51 3.402 -8.052 2.829 1.00 32.33 H new ATOM 0 HD21 LEU B 51 4.026 -9.128 5.647 1.00 63.14 H new ATOM 0 HD22 LEU B 51 3.827 -10.166 4.215 1.00 63.14 H new ATOM 0 HD23 LEU B 51 5.317 -10.263 5.185 1.00 63.14 H new ATOM 1793 N PHE B 52 8.260 -8.853 0.701 1.00 63.10 N ATOM 1794 CA PHE B 52 8.845 -9.158 -0.600 1.00 20.41 C ATOM 1795 C PHE B 52 10.214 -9.813 -0.440 1.00 43.35 C ATOM 1796 O PHE B 52 10.583 -10.702 -1.208 1.00 11.25 O ATOM 1797 CB PHE B 52 8.970 -7.884 -1.437 1.00 45.15 C ATOM 1798 CG PHE B 52 9.742 -8.079 -2.713 1.00 55.31 C ATOM 1799 CD1 PHE B 52 9.457 -9.142 -3.554 1.00 20.25 C ATOM 1800 CD2 PHE B 52 10.749 -7.197 -3.069 1.00 62.23 C ATOM 1801 CE1 PHE B 52 10.166 -9.324 -4.727 1.00 15.44 C ATOM 1802 CE2 PHE B 52 11.460 -7.374 -4.242 1.00 0.02 C ATOM 1803 CZ PHE B 52 11.167 -8.438 -5.072 1.00 54.42 C ATOM 0 H PHE B 52 8.049 -7.866 0.847 1.00 63.10 H new ATOM 0 HA PHE B 52 8.185 -9.858 -1.113 1.00 20.41 H new ATOM 0 HB2 PHE B 52 7.972 -7.517 -1.678 1.00 45.15 H new ATOM 0 HB3 PHE B 52 9.458 -7.113 -0.841 1.00 45.15 H new ATOM 0 HD1 PHE B 52 8.673 -9.836 -3.291 1.00 20.25 H new ATOM 0 HD2 PHE B 52 10.981 -6.363 -2.424 1.00 62.23 H new ATOM 0 HE1 PHE B 52 9.937 -10.159 -5.373 1.00 15.44 H new ATOM 0 HE2 PHE B 52 12.244 -6.681 -4.509 1.00 0.02 H new ATOM 0 HZ PHE B 52 11.720 -8.577 -5.989 1.00 54.42 H new ATOM 1813 N LYS B 53 10.964 -9.365 0.561 1.00 11.25 N ATOM 1814 CA LYS B 53 12.293 -9.906 0.824 1.00 55.01 C ATOM 1815 C LYS B 53 12.250 -11.427 0.925 1.00 61.30 C ATOM 1816 O LYS B 53 12.914 -12.129 0.161 1.00 42.14 O ATOM 1817 CB LYS B 53 12.860 -9.314 2.116 1.00 32.31 C ATOM 1818 CG LYS B 53 14.364 -9.474 2.250 1.00 43.23 C ATOM 1819 CD LYS B 53 15.110 -8.501 1.353 1.00 51.34 C ATOM 1820 CE LYS B 53 16.495 -8.190 1.899 1.00 1.51 C ATOM 1821 NZ LYS B 53 17.320 -7.431 0.919 1.00 52.42 N ATOM 0 H LYS B 53 10.674 -8.628 1.204 1.00 11.25 H new ATOM 0 HA LYS B 53 12.941 -9.633 -0.009 1.00 55.01 H new ATOM 0 HB2 LYS B 53 12.611 -8.254 2.160 1.00 32.31 H new ATOM 0 HB3 LYS B 53 12.375 -9.791 2.968 1.00 32.31 H new ATOM 0 HG2 LYS B 53 14.657 -9.312 3.287 1.00 43.23 H new ATOM 0 HG3 LYS B 53 14.646 -10.495 1.995 1.00 43.23 H new ATOM 0 HD2 LYS B 53 15.199 -8.922 0.352 1.00 51.34 H new ATOM 0 HD3 LYS B 53 14.538 -7.578 1.261 1.00 51.34 H new ATOM 0 HE2 LYS B 53 16.402 -7.613 2.819 1.00 1.51 H new ATOM 0 HE3 LYS B 53 17.001 -9.120 2.156 1.00 1.51 H new ATOM 0 HZ1 LYS B 53 18.256 -7.239 1.329 1.00 52.42 H new ATOM 0 HZ2 LYS B 53 17.431 -7.992 0.050 1.00 52.42 H new ATOM 0 HZ3 LYS B 53 16.850 -6.531 0.692 1.00 52.42 H new ATOM 1835 N LEU B 54 11.465 -11.931 1.870 1.00 71.11 N ATOM 1836 CA LEU B 54 11.335 -13.370 2.070 1.00 31.23 C ATOM 1837 C LEU B 54 10.457 -13.993 0.989 1.00 62.03 C ATOM 1838 O LEU B 54 10.549 -15.189 0.713 1.00 4.52 O ATOM 1839 CB LEU B 54 10.746 -13.662 3.452 1.00 63.41 C ATOM 1840 CG LEU B 54 11.740 -13.685 4.613 1.00 3.00 C ATOM 1841 CD1 LEU B 54 11.005 -13.714 5.944 1.00 54.03 C ATOM 1842 CD2 LEU B 54 12.675 -14.881 4.492 1.00 13.32 C ATOM 0 H LEU B 54 10.909 -11.365 2.510 1.00 71.11 H new ATOM 0 HA LEU B 54 12.329 -13.812 2.005 1.00 31.23 H new ATOM 0 HB2 LEU B 54 9.985 -12.912 3.666 1.00 63.41 H new ATOM 0 HB3 LEU B 54 10.241 -14.627 3.413 1.00 63.41 H new ATOM 0 HG LEU B 54 12.339 -12.775 4.571 1.00 3.00 H new ATOM 0 HD11 LEU B 54 11.729 -13.730 6.759 1.00 54.03 H new ATOM 0 HD12 LEU B 54 10.378 -12.827 6.033 1.00 54.03 H new ATOM 0 HD13 LEU B 54 10.381 -14.606 5.995 1.00 54.03 H new ATOM 0 HD21 LEU B 54 13.376 -14.881 5.327 1.00 13.32 H new ATOM 0 HD22 LEU B 54 12.092 -15.802 4.508 1.00 13.32 H new ATOM 0 HD23 LEU B 54 13.228 -14.817 3.555 1.00 13.32 H new ATOM 1854 N ALA B 55 9.608 -13.173 0.378 1.00 44.34 N ATOM 1855 CA ALA B 55 8.718 -13.642 -0.676 1.00 61.22 C ATOM 1856 C ALA B 55 9.503 -14.292 -1.810 1.00 2.22 C ATOM 1857 O ALA B 55 9.018 -15.215 -2.464 1.00 14.44 O ATOM 1858 CB ALA B 55 7.876 -12.491 -1.206 1.00 41.04 C ATOM 0 H ALA B 55 9.518 -12.180 0.595 1.00 44.34 H new ATOM 0 HA ALA B 55 8.056 -14.396 -0.250 1.00 61.22 H new ATOM 0 HB1 ALA B 55 7.216 -12.855 -1.993 1.00 41.04 H new ATOM 0 HB2 ALA B 55 7.279 -12.074 -0.395 1.00 41.04 H new ATOM 0 HB3 ALA B 55 8.530 -11.718 -1.610 1.00 41.04 H new ATOM 1864 N GLU B 56 10.719 -13.803 -2.038 1.00 53.10 N ATOM 1865 CA GLU B 56 11.570 -14.337 -3.095 1.00 50.01 C ATOM 1866 C GLU B 56 11.856 -15.818 -2.868 1.00 52.00 C ATOM 1867 O GLU B 56 11.885 -16.607 -3.812 1.00 55.42 O ATOM 1868 CB GLU B 56 12.884 -13.557 -3.163 1.00 63.25 C ATOM 1869 CG GLU B 56 12.706 -12.052 -3.059 1.00 73.42 C ATOM 1870 CD GLU B 56 13.972 -11.289 -3.397 1.00 41.14 C ATOM 1871 OE1 GLU B 56 15.071 -11.848 -3.199 1.00 63.05 O ATOM 1872 OE2 GLU B 56 13.864 -10.134 -3.860 1.00 0.12 O ATOM 0 H GLU B 56 11.136 -13.039 -1.506 1.00 53.10 H new ATOM 0 HA GLU B 56 11.041 -14.229 -4.042 1.00 50.01 H new ATOM 0 HB2 GLU B 56 13.538 -13.893 -2.358 1.00 63.25 H new ATOM 0 HB3 GLU B 56 13.387 -13.791 -4.101 1.00 63.25 H new ATOM 0 HG2 GLU B 56 11.907 -11.737 -3.730 1.00 73.42 H new ATOM 0 HG3 GLU B 56 12.392 -11.796 -2.047 1.00 73.42 H new ATOM 1880 N GLU B 57 12.067 -16.188 -1.609 1.00 13.14 N ATOM 1881 CA GLU B 57 12.352 -17.574 -1.257 1.00 73.44 C ATOM 1882 C GLU B 57 11.324 -18.515 -1.878 1.00 34.01 C ATOM 1883 O GLU B 57 11.676 -19.445 -2.605 1.00 40.44 O ATOM 1884 CB GLU B 57 12.364 -17.747 0.263 1.00 40.35 C ATOM 1885 CG GLU B 57 12.827 -19.121 0.716 1.00 50.41 C ATOM 1886 CD GLU B 57 14.295 -19.368 0.423 1.00 15.35 C ATOM 1887 OE1 GLU B 57 15.004 -18.396 0.089 1.00 0.23 O ATOM 1888 OE2 GLU B 57 14.733 -20.532 0.529 1.00 72.41 O ATOM 0 H GLU B 57 12.046 -15.547 -0.816 1.00 13.14 H new ATOM 0 HA GLU B 57 13.336 -17.826 -1.651 1.00 73.44 H new ATOM 0 HB2 GLU B 57 13.015 -16.991 0.701 1.00 40.35 H new ATOM 0 HB3 GLU B 57 11.361 -17.566 0.649 1.00 40.35 H new ATOM 0 HG2 GLU B 57 12.652 -19.225 1.787 1.00 50.41 H new ATOM 0 HG3 GLU B 57 12.228 -19.884 0.219 1.00 50.41 H new ATOM 1896 N ARG B 58 10.050 -18.268 -1.586 1.00 44.32 N ATOM 1897 CA ARG B 58 8.971 -19.092 -2.114 1.00 3.01 C ATOM 1898 C ARG B 58 8.616 -18.677 -3.538 1.00 22.51 C ATOM 1899 O ARG B 58 7.976 -19.430 -4.275 1.00 23.12 O ATOM 1900 CB ARG B 58 7.736 -18.988 -1.218 1.00 52.51 C ATOM 1901 CG ARG B 58 8.060 -18.968 0.267 1.00 0.44 C ATOM 1902 CD ARG B 58 7.962 -17.562 0.840 1.00 32.31 C ATOM 1903 NE ARG B 58 6.579 -17.176 1.106 1.00 13.22 N ATOM 1904 CZ ARG B 58 5.843 -17.702 2.079 1.00 31.13 C ATOM 1905 NH1 ARG B 58 6.356 -18.632 2.874 1.00 31.44 N ATOM 1906 NH2 ARG B 58 4.592 -17.299 2.259 1.00 11.22 N ATOM 0 H ARG B 58 9.741 -17.503 -0.986 1.00 44.32 H new ATOM 0 HA ARG B 58 9.313 -20.127 -2.131 1.00 3.01 H new ATOM 0 HB2 ARG B 58 7.188 -18.081 -1.474 1.00 52.51 H new ATOM 0 HB3 ARG B 58 7.075 -19.830 -1.426 1.00 52.51 H new ATOM 0 HG2 ARG B 58 7.374 -19.627 0.799 1.00 0.44 H new ATOM 0 HG3 ARG B 58 9.065 -19.358 0.426 1.00 0.44 H new ATOM 0 HD2 ARG B 58 8.538 -17.506 1.763 1.00 32.31 H new ATOM 0 HD3 ARG B 58 8.408 -16.854 0.142 1.00 32.31 H new ATOM 0 HE ARG B 58 6.155 -16.463 0.512 1.00 13.22 H new ATOM 0 HH11 ARG B 58 7.317 -18.945 2.739 1.00 31.44 H new ATOM 0 HH12 ARG B 58 5.789 -19.034 3.620 1.00 31.44 H new ATOM 0 HH21 ARG B 58 4.194 -16.584 1.650 1.00 11.22 H new ATOM 0 HH22 ARG B 58 4.028 -17.704 3.006 1.00 11.22 H new ATOM 1920 N LEU B 59 9.034 -17.476 -3.921 1.00 63.10 N ATOM 1921 CA LEU B 59 8.761 -16.960 -5.257 1.00 74.13 C ATOM 1922 C LEU B 59 10.001 -16.299 -5.851 1.00 33.22 C ATOM 1923 O LEU B 59 10.084 -15.074 -5.936 1.00 72.02 O ATOM 1924 CB LEU B 59 7.607 -15.957 -5.211 1.00 73.42 C ATOM 1925 CG LEU B 59 6.212 -16.547 -5.004 1.00 74.51 C ATOM 1926 CD1 LEU B 59 5.959 -17.677 -5.991 1.00 74.42 C ATOM 1927 CD2 LEU B 59 6.048 -17.040 -3.574 1.00 41.22 C ATOM 0 H LEU B 59 9.564 -16.841 -3.324 1.00 63.10 H new ATOM 0 HA LEU B 59 8.480 -17.799 -5.893 1.00 74.13 H new ATOM 0 HB2 LEU B 59 7.802 -15.246 -4.408 1.00 73.42 H new ATOM 0 HB3 LEU B 59 7.606 -15.392 -6.143 1.00 73.42 H new ATOM 0 HG LEU B 59 5.477 -15.763 -5.183 1.00 74.51 H new ATOM 0 HD11 LEU B 59 4.961 -18.085 -5.829 1.00 74.42 H new ATOM 0 HD12 LEU B 59 6.034 -17.295 -7.009 1.00 74.42 H new ATOM 0 HD13 LEU B 59 6.700 -18.462 -5.843 1.00 74.42 H new ATOM 0 HD21 LEU B 59 5.049 -17.457 -3.445 1.00 41.22 H new ATOM 0 HD22 LEU B 59 6.792 -17.810 -3.367 1.00 41.22 H new ATOM 0 HD23 LEU B 59 6.186 -16.207 -2.884 1.00 41.22 H new ATOM 1939 N LYS B 60 10.962 -17.119 -6.260 1.00 65.43 N ATOM 1940 CA LYS B 60 12.198 -16.616 -6.850 1.00 62.04 C ATOM 1941 C LYS B 60 12.038 -16.402 -8.352 1.00 33.23 C ATOM 1942 O LYS B 60 11.327 -17.152 -9.023 1.00 53.22 O ATOM 1943 CB LYS B 60 13.348 -17.589 -6.583 1.00 40.42 C ATOM 1944 CG LYS B 60 14.253 -17.162 -5.440 1.00 11.14 C ATOM 1945 CD LYS B 60 14.590 -18.330 -4.529 1.00 34.33 C ATOM 1946 CE LYS B 60 16.003 -18.837 -4.771 1.00 44.14 C ATOM 1947 NZ LYS B 60 16.236 -19.166 -6.205 1.00 4.45 N ATOM 0 H LYS B 60 10.910 -18.136 -6.194 1.00 65.43 H new ATOM 0 HA LYS B 60 12.427 -15.656 -6.387 1.00 62.04 H new ATOM 0 HB2 LYS B 60 12.936 -18.573 -6.361 1.00 40.42 H new ATOM 0 HB3 LYS B 60 13.945 -17.691 -7.489 1.00 40.42 H new ATOM 0 HG2 LYS B 60 15.172 -16.736 -5.842 1.00 11.14 H new ATOM 0 HG3 LYS B 60 13.765 -16.378 -4.862 1.00 11.14 H new ATOM 0 HD2 LYS B 60 14.486 -18.023 -3.488 1.00 34.33 H new ATOM 0 HD3 LYS B 60 13.879 -19.139 -4.695 1.00 34.33 H new ATOM 0 HE2 LYS B 60 16.720 -18.081 -4.451 1.00 44.14 H new ATOM 0 HE3 LYS B 60 16.180 -19.723 -4.162 1.00 44.14 H new ATOM 0 HZ1 LYS B 60 17.091 -19.751 -6.292 1.00 4.45 H new ATOM 0 HZ2 LYS B 60 15.419 -19.690 -6.578 1.00 4.45 H new ATOM 0 HZ3 LYS B 60 16.361 -18.287 -6.747 1.00 4.45 H new ATOM 1961 N LYS B 61 12.702 -15.378 -8.874 1.00 12.31 N ATOM 1962 CA LYS B 61 12.635 -15.067 -10.297 1.00 10.54 C ATOM 1963 C LYS B 61 13.721 -14.068 -10.687 1.00 13.40 C ATOM 1964 O LYS B 61 14.316 -14.170 -11.760 1.00 60.20 O ATOM 1965 CB LYS B 61 11.258 -14.504 -10.653 1.00 40.11 C ATOM 1966 CG LYS B 61 11.173 -13.953 -12.067 1.00 20.14 C ATOM 1967 CD LYS B 61 11.436 -12.457 -12.098 1.00 44.30 C ATOM 1968 CE LYS B 61 12.480 -12.097 -13.143 1.00 63.32 C ATOM 1969 NZ LYS B 61 12.191 -10.787 -13.789 1.00 14.41 N ATOM 0 H LYS B 61 13.294 -14.748 -8.333 1.00 12.31 H new ATOM 0 HA LYS B 61 12.798 -15.990 -10.853 1.00 10.54 H new ATOM 0 HB2 LYS B 61 10.511 -15.289 -10.532 1.00 40.11 H new ATOM 0 HB3 LYS B 61 11.005 -13.712 -9.948 1.00 40.11 H new ATOM 0 HG2 LYS B 61 11.897 -14.464 -12.702 1.00 20.14 H new ATOM 0 HG3 LYS B 61 10.185 -14.159 -12.480 1.00 20.14 H new ATOM 0 HD2 LYS B 61 10.508 -11.928 -12.312 1.00 44.30 H new ATOM 0 HD3 LYS B 61 11.773 -12.125 -11.116 1.00 44.30 H new ATOM 0 HE2 LYS B 61 13.464 -12.062 -12.676 1.00 63.32 H new ATOM 0 HE3 LYS B 61 12.516 -12.877 -13.904 1.00 63.32 H new ATOM 0 HZ1 LYS B 61 12.926 -10.578 -14.495 1.00 14.41 H new ATOM 0 HZ2 LYS B 61 11.263 -10.828 -14.257 1.00 14.41 H new ATOM 0 HZ3 LYS B 61 12.182 -10.038 -13.067 1.00 14.41 H new ATOM 1983 N LEU B 62 13.974 -13.104 -9.809 1.00 42.31 N ATOM 1984 CA LEU B 62 14.989 -12.087 -10.061 1.00 50.30 C ATOM 1985 C LEU B 62 16.316 -12.729 -10.452 1.00 43.54 C ATOM 1986 O LEU B 62 16.487 -13.930 -10.252 1.00 41.34 O ATOM 1987 CB LEU B 62 15.179 -11.211 -8.822 1.00 42.51 C ATOM 1988 CG LEU B 62 15.325 -11.950 -7.492 1.00 2.02 C ATOM 1989 CD1 LEU B 62 16.686 -12.623 -7.401 1.00 42.34 C ATOM 1990 CD2 LEU B 62 15.121 -10.995 -6.325 1.00 40.31 C ATOM 0 H LEU B 62 13.490 -13.005 -8.916 1.00 42.31 H new ATOM 0 HA LEU B 62 14.649 -11.465 -10.889 1.00 50.30 H new ATOM 0 HB2 LEU B 62 16.065 -10.594 -8.971 1.00 42.51 H new ATOM 0 HB3 LEU B 62 14.328 -10.534 -8.747 1.00 42.51 H new ATOM 0 HG LEU B 62 14.557 -12.722 -7.442 1.00 2.02 H new ATOM 0 HD11 LEU B 62 16.771 -13.144 -6.447 1.00 42.34 H new ATOM 0 HD12 LEU B 62 16.793 -13.339 -8.216 1.00 42.34 H new ATOM 0 HD13 LEU B 62 17.470 -11.869 -7.474 1.00 42.34 H new ATOM 0 HD21 LEU B 62 15.229 -11.539 -5.387 1.00 40.31 H new ATOM 0 HD22 LEU B 62 15.865 -10.200 -6.371 1.00 40.31 H new ATOM 0 HD23 LEU B 62 14.123 -10.561 -6.380 1.00 40.31 H new TER 2002 LEU B 62 HETATM 2003 F1 HLT A 101 -1.963 -0.758 0.227 1.00 12.21 F HETATM 2004 C2 HLT A 101 -0.724 -0.197 0.293 1.00 64.05 C HETATM 2005 F2 HLT A 101 -0.703 0.680 1.336 1.00 13.40 F HETATM 2006 F3 HLT A 101 0.188 -1.178 0.528 1.00 53.40 F HETATM 2007 C1 HLT A 101 -0.404 0.571 -1.067 1.00 50.43 C HETATM 2008 BR HLT A 101 1.274 1.399 -0.963 1.00 62.12 BR HETATM 2009 CL HLT A 101 -0.514 -0.579 -2.411 1.00 54.35 CL