USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 1033 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 38 MET CE :methyl -140:sc= -2.87! (180deg=-2.01!) USER MOD Set 1.2: B 41 CYS SG : rot -29:sc= 0.677 USER MOD Set 2.1: A 38 MET CE :methyl -145:sc= -2.07 (180deg=-1.9!) USER MOD Set 2.2: A 41 CYS SG : rot -34:sc= 0.835 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+ 179:sc= 0.00213 (180deg=-3.13e-06) 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 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0253) USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= 0.944 (180deg=0.237) USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00535) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -168:sc= 0 (180deg=-0.2) 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+ 180:sc= 0 (180deg=0) 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 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0299) USER MOD Single : B 47 LYS NZ :NH3+ -147:sc= 1.11 (180deg=0.0458) USER MOD Single : B 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0101) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -12.346 22.378 1.377 1.00 44.24 N ATOM 19 CA LYS A 2 -11.071 22.210 0.692 1.00 61.30 C ATOM 20 C LYS A 2 -11.264 21.523 -0.656 1.00 22.03 C ATOM 21 O LYS A 2 -12.296 20.900 -0.905 1.00 51.02 O ATOM 22 CB LYS A 2 -10.107 21.396 1.557 1.00 5.42 C ATOM 23 CG LYS A 2 -8.890 22.181 2.016 1.00 3.31 C ATOM 24 CD LYS A 2 -9.213 23.062 3.211 1.00 23.11 C ATOM 25 CE LYS A 2 -9.570 24.476 2.781 1.00 45.22 C ATOM 26 NZ LYS A 2 -9.842 25.360 3.948 1.00 51.32 N ATOM 0 HA LYS A 2 -10.647 23.199 0.519 1.00 61.30 H new ATOM 0 HB2 LYS A 2 -10.641 21.026 2.432 1.00 5.42 H new ATOM 0 HB3 LYS A 2 -9.775 20.524 0.994 1.00 5.42 H new ATOM 0 HG2 LYS A 2 -8.088 21.491 2.278 1.00 3.31 H new ATOM 0 HG3 LYS A 2 -8.524 22.799 1.196 1.00 3.31 H new ATOM 0 HD2 LYS A 2 -10.044 22.630 3.769 1.00 23.11 H new ATOM 0 HD3 LYS A 2 -8.357 23.091 3.885 1.00 23.11 H new ATOM 0 HE2 LYS A 2 -8.753 24.893 2.192 1.00 45.22 H new ATOM 0 HE3 LYS A 2 -10.447 24.448 2.135 1.00 45.22 H new ATOM 0 HZ1 LYS A 2 -10.081 26.315 3.612 1.00 51.32 H new ATOM 0 HZ2 LYS A 2 -10.638 24.976 4.496 1.00 51.32 H new ATOM 0 HZ3 LYS A 2 -8.997 25.408 4.552 1.00 51.32 H new ATOM 40 N LYS A 3 -10.263 21.637 -1.523 1.00 4.21 N ATOM 41 CA LYS A 3 -10.320 21.025 -2.844 1.00 73.35 C ATOM 42 C LYS A 3 -8.961 20.460 -3.242 1.00 70.23 C ATOM 43 O LYS A 3 -8.869 19.358 -3.787 1.00 43.54 O ATOM 44 CB LYS A 3 -10.783 22.049 -3.884 1.00 0.34 C ATOM 45 CG LYS A 3 -10.665 21.557 -5.316 1.00 43.24 C ATOM 46 CD LYS A 3 -11.809 22.067 -6.177 1.00 40.24 C ATOM 47 CE LYS A 3 -11.466 23.397 -6.829 1.00 44.54 C ATOM 48 NZ LYS A 3 -12.597 23.925 -7.642 1.00 1.34 N ATOM 0 H LYS A 3 -9.401 22.149 -1.333 1.00 4.21 H new ATOM 0 HA LYS A 3 -11.037 20.205 -2.806 1.00 73.35 H new ATOM 0 HB2 LYS A 3 -11.821 22.314 -3.684 1.00 0.34 H new ATOM 0 HB3 LYS A 3 -10.195 22.960 -3.772 1.00 0.34 H new ATOM 0 HG2 LYS A 3 -9.716 21.887 -5.738 1.00 43.24 H new ATOM 0 HG3 LYS A 3 -10.657 20.467 -5.328 1.00 43.24 H new ATOM 0 HD2 LYS A 3 -12.041 21.332 -6.948 1.00 40.24 H new ATOM 0 HD3 LYS A 3 -12.704 22.181 -5.565 1.00 40.24 H new ATOM 0 HE2 LYS A 3 -11.203 24.122 -6.059 1.00 44.54 H new ATOM 0 HE3 LYS A 3 -10.589 23.274 -7.464 1.00 44.54 H new ATOM 0 HZ1 LYS A 3 -12.323 24.833 -8.070 1.00 1.34 H new ATOM 0 HZ2 LYS A 3 -12.832 23.245 -8.393 1.00 1.34 H new ATOM 0 HZ3 LYS A 3 -13.427 24.066 -7.032 1.00 1.34 H new ATOM 62 N LEU A 4 -7.906 21.219 -2.966 1.00 43.21 N ATOM 63 CA LEU A 4 -6.550 20.793 -3.293 1.00 22.54 C ATOM 64 C LEU A 4 -6.103 19.652 -2.386 1.00 42.40 C ATOM 65 O LEU A 4 -5.360 18.765 -2.806 1.00 44.42 O ATOM 66 CB LEU A 4 -5.580 21.969 -3.167 1.00 74.14 C ATOM 67 CG LEU A 4 -5.294 22.744 -4.454 1.00 13.14 C ATOM 68 CD1 LEU A 4 -4.517 21.880 -5.435 1.00 21.14 C ATOM 69 CD2 LEU A 4 -6.591 23.233 -5.083 1.00 15.11 C ATOM 0 H LEU A 4 -7.964 22.133 -2.516 1.00 43.21 H new ATOM 0 HA LEU A 4 -6.547 20.436 -4.323 1.00 22.54 H new ATOM 0 HB2 LEU A 4 -5.978 22.665 -2.428 1.00 74.14 H new ATOM 0 HB3 LEU A 4 -4.635 21.594 -2.775 1.00 74.14 H new ATOM 0 HG LEU A 4 -4.685 23.613 -4.204 1.00 13.14 H new ATOM 0 HD11 LEU A 4 -4.322 22.448 -6.345 1.00 21.14 H new ATOM 0 HD12 LEU A 4 -3.571 21.580 -4.985 1.00 21.14 H new ATOM 0 HD13 LEU A 4 -5.100 20.992 -5.679 1.00 21.14 H new ATOM 0 HD21 LEU A 4 -6.367 23.782 -5.998 1.00 15.11 H new ATOM 0 HD22 LEU A 4 -7.226 22.379 -5.319 1.00 15.11 H new ATOM 0 HD23 LEU A 4 -7.110 23.889 -4.384 1.00 15.11 H new ATOM 81 N ARG A 5 -6.564 19.679 -1.138 1.00 30.40 N ATOM 82 CA ARG A 5 -6.213 18.647 -0.172 1.00 2.33 C ATOM 83 C ARG A 5 -6.917 17.333 -0.499 1.00 64.10 C ATOM 84 O ARG A 5 -6.328 16.259 -0.390 1.00 23.34 O ATOM 85 CB ARG A 5 -6.582 19.097 1.243 1.00 13.14 C ATOM 86 CG ARG A 5 -5.811 20.319 1.714 1.00 41.50 C ATOM 87 CD ARG A 5 -5.779 20.407 3.232 1.00 65.54 C ATOM 88 NE ARG A 5 -4.493 20.894 3.725 1.00 12.21 N ATOM 89 CZ ARG A 5 -3.381 20.168 3.716 1.00 23.13 C ATOM 90 NH1 ARG A 5 -3.396 18.930 3.242 1.00 61.32 N ATOM 91 NH2 ARG A 5 -2.250 20.681 4.183 1.00 23.41 N ATOM 0 H ARG A 5 -7.181 20.405 -0.774 1.00 30.40 H new ATOM 0 HA ARG A 5 -5.136 18.485 -0.226 1.00 2.33 H new ATOM 0 HB2 ARG A 5 -7.649 19.315 1.279 1.00 13.14 H new ATOM 0 HB3 ARG A 5 -6.401 18.275 1.935 1.00 13.14 H new ATOM 0 HG2 ARG A 5 -4.792 20.278 1.329 1.00 41.50 H new ATOM 0 HG3 ARG A 5 -6.270 21.220 1.306 1.00 41.50 H new ATOM 0 HD2 ARG A 5 -6.573 21.071 3.573 1.00 65.54 H new ATOM 0 HD3 ARG A 5 -5.981 19.424 3.656 1.00 65.54 H new ATOM 0 HE ARG A 5 -4.447 21.843 4.096 1.00 12.21 H new ATOM 0 HH11 ARG A 5 -4.264 18.532 2.883 1.00 61.32 H new ATOM 0 HH12 ARG A 5 -2.540 18.376 3.237 1.00 61.32 H new ATOM 0 HH21 ARG A 5 -2.235 21.633 4.549 1.00 23.41 H new ATOM 0 HH22 ARG A 5 -1.396 20.123 4.176 1.00 23.41 H new ATOM 105 N GLU A 6 -8.181 17.429 -0.899 1.00 72.13 N ATOM 106 CA GLU A 6 -8.965 16.247 -1.241 1.00 63.33 C ATOM 107 C GLU A 6 -8.234 15.389 -2.270 1.00 42.42 C ATOM 108 O GLU A 6 -8.426 14.175 -2.328 1.00 53.50 O ATOM 109 CB GLU A 6 -10.336 16.658 -1.784 1.00 34.13 C ATOM 110 CG GLU A 6 -11.475 15.791 -1.275 1.00 53.02 C ATOM 111 CD GLU A 6 -12.837 16.322 -1.679 1.00 45.41 C ATOM 112 OE1 GLU A 6 -13.213 17.413 -1.202 1.00 60.30 O ATOM 113 OE2 GLU A 6 -13.527 15.647 -2.471 1.00 24.35 O ATOM 0 H GLU A 6 -8.684 18.311 -0.994 1.00 72.13 H new ATOM 0 HA GLU A 6 -9.103 15.658 -0.334 1.00 63.33 H new ATOM 0 HB2 GLU A 6 -10.530 17.695 -1.511 1.00 34.13 H new ATOM 0 HB3 GLU A 6 -10.315 16.613 -2.873 1.00 34.13 H new ATOM 0 HG2 GLU A 6 -11.355 14.778 -1.659 1.00 53.02 H new ATOM 0 HG3 GLU A 6 -11.421 15.728 -0.188 1.00 53.02 H new ATOM 121 N GLU A 7 -7.397 16.030 -3.080 1.00 1.43 N ATOM 122 CA GLU A 7 -6.640 15.325 -4.107 1.00 21.14 C ATOM 123 C GLU A 7 -5.828 14.185 -3.498 1.00 35.12 C ATOM 124 O GLU A 7 -5.552 13.184 -4.159 1.00 43.10 O ATOM 125 CB GLU A 7 -5.709 16.292 -4.841 1.00 50.51 C ATOM 126 CG GLU A 7 -6.442 17.394 -5.587 1.00 71.00 C ATOM 127 CD GLU A 7 -5.521 18.215 -6.468 1.00 23.32 C ATOM 128 OE1 GLU A 7 -5.926 18.546 -7.603 1.00 21.33 O ATOM 129 OE2 GLU A 7 -4.396 18.525 -6.025 1.00 63.23 O ATOM 0 H GLU A 7 -7.226 17.035 -3.045 1.00 1.43 H new ATOM 0 HA GLU A 7 -7.349 14.904 -4.819 1.00 21.14 H new ATOM 0 HB2 GLU A 7 -5.027 16.744 -4.121 1.00 50.51 H new ATOM 0 HB3 GLU A 7 -5.099 15.730 -5.548 1.00 50.51 H new ATOM 0 HG2 GLU A 7 -7.227 16.952 -6.201 1.00 71.00 H new ATOM 0 HG3 GLU A 7 -6.931 18.051 -4.868 1.00 71.00 H new ATOM 137 N ALA A 8 -5.450 14.344 -2.235 1.00 43.43 N ATOM 138 CA ALA A 8 -4.672 13.329 -1.536 1.00 42.21 C ATOM 139 C ALA A 8 -5.549 12.150 -1.128 1.00 33.11 C ATOM 140 O ALA A 8 -5.066 11.027 -0.982 1.00 74.24 O ATOM 141 CB ALA A 8 -3.994 13.932 -0.315 1.00 12.34 C ATOM 0 H ALA A 8 -5.670 15.167 -1.674 1.00 43.43 H new ATOM 0 HA ALA A 8 -3.906 12.960 -2.218 1.00 42.21 H new ATOM 0 HB1 ALA A 8 -3.416 13.163 0.198 1.00 12.34 H new ATOM 0 HB2 ALA A 8 -3.329 14.737 -0.628 1.00 12.34 H new ATOM 0 HB3 ALA A 8 -4.750 14.329 0.362 1.00 12.34 H new ATOM 147 N ALA A 9 -6.838 12.412 -0.945 1.00 55.05 N ATOM 148 CA ALA A 9 -7.783 11.372 -0.556 1.00 11.21 C ATOM 149 C ALA A 9 -8.128 10.474 -1.738 1.00 32.32 C ATOM 150 O ALA A 9 -8.480 9.307 -1.563 1.00 41.20 O ATOM 151 CB ALA A 9 -9.045 11.995 0.023 1.00 32.34 C ATOM 0 H ALA A 9 -7.253 13.337 -1.060 1.00 55.05 H new ATOM 0 HA ALA A 9 -7.312 10.755 0.209 1.00 11.21 H new ATOM 0 HB1 ALA A 9 -9.742 11.207 0.309 1.00 32.34 H new ATOM 0 HB2 ALA A 9 -8.788 12.588 0.900 1.00 32.34 H new ATOM 0 HB3 ALA A 9 -9.510 12.637 -0.725 1.00 32.34 H new ATOM 157 N LYS A 10 -8.027 11.025 -2.943 1.00 53.12 N ATOM 158 CA LYS A 10 -8.329 10.273 -4.156 1.00 22.12 C ATOM 159 C LYS A 10 -7.286 9.185 -4.395 1.00 23.42 C ATOM 160 O LYS A 10 -7.623 8.010 -4.541 1.00 54.21 O ATOM 161 CB LYS A 10 -8.385 11.214 -5.362 1.00 34.12 C ATOM 162 CG LYS A 10 -9.214 12.464 -5.120 1.00 23.10 C ATOM 163 CD LYS A 10 -9.812 12.995 -6.412 1.00 45.41 C ATOM 164 CE LYS A 10 -11.021 12.180 -6.844 1.00 3.32 C ATOM 165 NZ LYS A 10 -11.765 12.836 -7.953 1.00 42.53 N ATOM 0 H LYS A 10 -7.738 11.990 -3.106 1.00 53.12 H new ATOM 0 HA LYS A 10 -9.301 9.798 -4.027 1.00 22.12 H new ATOM 0 HB2 LYS A 10 -7.370 11.508 -5.631 1.00 34.12 H new ATOM 0 HB3 LYS A 10 -8.797 10.674 -6.215 1.00 34.12 H new ATOM 0 HG2 LYS A 10 -10.013 12.241 -4.413 1.00 23.10 H new ATOM 0 HG3 LYS A 10 -8.590 13.233 -4.664 1.00 23.10 H new ATOM 0 HD2 LYS A 10 -10.103 14.037 -6.278 1.00 45.41 H new ATOM 0 HD3 LYS A 10 -9.058 12.974 -7.199 1.00 45.41 H new ATOM 0 HE2 LYS A 10 -10.696 11.189 -7.161 1.00 3.32 H new ATOM 0 HE3 LYS A 10 -11.687 12.040 -5.993 1.00 3.32 H new ATOM 0 HZ1 LYS A 10 -12.582 12.249 -8.218 1.00 42.53 H new ATOM 0 HZ2 LYS A 10 -12.097 13.771 -7.643 1.00 42.53 H new ATOM 0 HZ3 LYS A 10 -11.137 12.947 -8.775 1.00 42.53 H new ATOM 179 N LEU A 11 -6.019 9.584 -4.433 1.00 74.25 N ATOM 180 CA LEU A 11 -4.927 8.642 -4.653 1.00 64.33 C ATOM 181 C LEU A 11 -4.937 7.542 -3.598 1.00 32.00 C ATOM 182 O LEU A 11 -4.782 6.362 -3.915 1.00 32.00 O ATOM 183 CB LEU A 11 -3.584 9.374 -4.630 1.00 63.54 C ATOM 184 CG LEU A 11 -3.368 10.344 -3.467 1.00 23.32 C ATOM 185 CD1 LEU A 11 -2.616 9.662 -2.335 1.00 32.20 C ATOM 186 CD2 LEU A 11 -2.618 11.583 -3.937 1.00 34.25 C ATOM 0 H LEU A 11 -5.723 10.553 -4.314 1.00 74.25 H new ATOM 0 HA LEU A 11 -5.067 8.183 -5.632 1.00 64.33 H new ATOM 0 HB2 LEU A 11 -2.788 8.630 -4.609 1.00 63.54 H new ATOM 0 HB3 LEU A 11 -3.479 9.928 -5.563 1.00 63.54 H new ATOM 0 HG LEU A 11 -4.344 10.654 -3.093 1.00 23.32 H new ATOM 0 HD11 LEU A 11 -2.472 10.368 -1.517 1.00 32.20 H new ATOM 0 HD12 LEU A 11 -3.191 8.807 -1.980 1.00 32.20 H new ATOM 0 HD13 LEU A 11 -1.645 9.322 -2.696 1.00 32.20 H new ATOM 0 HD21 LEU A 11 -2.473 12.262 -3.096 1.00 34.25 H new ATOM 0 HD22 LEU A 11 -1.648 11.291 -4.338 1.00 34.25 H new ATOM 0 HD23 LEU A 11 -3.195 12.085 -4.713 1.00 34.25 H new ATOM 198 N PHE A 12 -5.122 7.934 -2.342 1.00 11.31 N ATOM 199 CA PHE A 12 -5.154 6.980 -1.240 1.00 13.22 C ATOM 200 C PHE A 12 -6.360 6.053 -1.357 1.00 14.43 C ATOM 201 O PHE A 12 -6.384 4.972 -0.771 1.00 2.42 O ATOM 202 CB PHE A 12 -5.192 7.717 0.100 1.00 23.34 C ATOM 203 CG PHE A 12 -3.846 8.208 0.553 1.00 21.52 C ATOM 204 CD1 PHE A 12 -2.735 7.383 0.487 1.00 73.12 C ATOM 205 CD2 PHE A 12 -3.692 9.496 1.041 1.00 1.43 C ATOM 206 CE1 PHE A 12 -1.496 7.832 0.903 1.00 3.41 C ATOM 207 CE2 PHE A 12 -2.455 9.950 1.459 1.00 63.11 C ATOM 208 CZ PHE A 12 -1.356 9.118 1.389 1.00 34.41 C ATOM 0 H PHE A 12 -5.252 8.906 -2.062 1.00 11.31 H new ATOM 0 HA PHE A 12 -4.248 6.376 -1.290 1.00 13.22 H new ATOM 0 HB2 PHE A 12 -5.871 8.566 0.020 1.00 23.34 H new ATOM 0 HB3 PHE A 12 -5.602 7.052 0.860 1.00 23.34 H new ATOM 0 HD1 PHE A 12 -2.838 6.378 0.106 1.00 73.12 H new ATOM 0 HD2 PHE A 12 -4.548 10.152 1.095 1.00 1.43 H new ATOM 0 HE1 PHE A 12 -0.638 7.178 0.848 1.00 3.41 H new ATOM 0 HE2 PHE A 12 -2.349 10.955 1.840 1.00 63.11 H new ATOM 0 HZ PHE A 12 -0.388 9.471 1.713 1.00 34.41 H new ATOM 218 N GLU A 13 -7.360 6.486 -2.119 1.00 43.12 N ATOM 219 CA GLU A 13 -8.570 5.696 -2.312 1.00 24.10 C ATOM 220 C GLU A 13 -8.262 4.402 -3.059 1.00 32.32 C ATOM 221 O GLU A 13 -8.819 3.348 -2.753 1.00 44.21 O ATOM 222 CB GLU A 13 -9.616 6.505 -3.081 1.00 72.04 C ATOM 223 CG GLU A 13 -11.043 6.234 -2.635 1.00 52.24 C ATOM 224 CD GLU A 13 -11.612 7.354 -1.785 1.00 20.50 C ATOM 225 OE1 GLU A 13 -11.561 8.520 -2.230 1.00 74.10 O ATOM 226 OE2 GLU A 13 -12.108 7.065 -0.676 1.00 4.03 O ATOM 0 H GLU A 13 -7.356 7.379 -2.612 1.00 43.12 H new ATOM 0 HA GLU A 13 -8.968 5.442 -1.329 1.00 24.10 H new ATOM 0 HB2 GLU A 13 -9.402 7.567 -2.961 1.00 72.04 H new ATOM 0 HB3 GLU A 13 -9.528 6.280 -4.144 1.00 72.04 H new ATOM 0 HG2 GLU A 13 -11.673 6.093 -3.513 1.00 52.24 H new ATOM 0 HG3 GLU A 13 -11.072 5.303 -2.069 1.00 52.24 H new ATOM 234 N GLU A 14 -7.371 4.490 -4.042 1.00 65.24 N ATOM 235 CA GLU A 14 -6.990 3.328 -4.835 1.00 5.33 C ATOM 236 C GLU A 14 -6.057 2.413 -4.044 1.00 72.23 C ATOM 237 O GLU A 14 -6.030 1.202 -4.260 1.00 54.53 O ATOM 238 CB GLU A 14 -6.310 3.768 -6.133 1.00 11.25 C ATOM 239 CG GLU A 14 -7.007 4.930 -6.821 1.00 12.23 C ATOM 240 CD GLU A 14 -6.857 4.889 -8.330 1.00 10.13 C ATOM 241 OE1 GLU A 14 -7.339 3.916 -8.947 1.00 62.42 O ATOM 242 OE2 GLU A 14 -6.256 5.828 -8.892 1.00 54.04 O ATOM 0 H GLU A 14 -6.900 5.355 -4.308 1.00 65.24 H new ATOM 0 HA GLU A 14 -7.896 2.773 -5.079 1.00 5.33 H new ATOM 0 HB2 GLU A 14 -5.280 4.050 -5.916 1.00 11.25 H new ATOM 0 HB3 GLU A 14 -6.271 2.921 -6.818 1.00 11.25 H new ATOM 0 HG2 GLU A 14 -8.066 4.917 -6.564 1.00 12.23 H new ATOM 0 HG3 GLU A 14 -6.599 5.868 -6.444 1.00 12.23 H new ATOM 250 N TRP A 15 -5.295 3.003 -3.131 1.00 54.40 N ATOM 251 CA TRP A 15 -4.361 2.242 -2.309 1.00 33.11 C ATOM 252 C TRP A 15 -5.101 1.239 -1.430 1.00 21.22 C ATOM 253 O TRP A 15 -4.725 0.069 -1.353 1.00 22.20 O ATOM 254 CB TRP A 15 -3.530 3.186 -1.438 1.00 32.02 C ATOM 255 CG TRP A 15 -2.158 3.444 -1.984 1.00 32.03 C ATOM 256 CD1 TRP A 15 -1.771 3.378 -3.292 1.00 2.50 C ATOM 257 CD2 TRP A 15 -0.992 3.807 -1.236 1.00 71.11 C ATOM 258 NE1 TRP A 15 -0.434 3.679 -3.402 1.00 54.21 N ATOM 259 CE2 TRP A 15 0.066 3.946 -2.155 1.00 60.12 C ATOM 260 CE3 TRP A 15 -0.740 4.029 0.120 1.00 12.12 C ATOM 261 CZ2 TRP A 15 1.354 4.297 -1.759 1.00 55.33 C ATOM 262 CZ3 TRP A 15 0.539 4.377 0.512 1.00 53.21 C ATOM 263 CH2 TRP A 15 1.572 4.508 -0.425 1.00 61.31 C ATOM 0 H TRP A 15 -5.305 4.005 -2.941 1.00 54.40 H new ATOM 0 HA TRP A 15 -3.695 1.692 -2.974 1.00 33.11 H new ATOM 0 HB2 TRP A 15 -4.057 4.135 -1.337 1.00 32.02 H new ATOM 0 HB3 TRP A 15 -3.442 2.762 -0.438 1.00 32.02 H new ATOM 0 HD1 TRP A 15 -2.420 3.126 -4.118 1.00 2.50 H new ATOM 0 HE1 TRP A 15 0.099 3.700 -4.271 1.00 54.21 H new ATOM 0 HE3 TRP A 15 -1.531 3.930 0.849 1.00 12.12 H new ATOM 0 HZ2 TRP A 15 2.152 4.399 -2.479 1.00 55.33 H new ATOM 0 HZ3 TRP A 15 0.745 4.551 1.558 1.00 53.21 H new ATOM 0 HH2 TRP A 15 2.561 4.781 -0.087 1.00 61.31 H new ATOM 274 N LYS A 16 -6.155 1.703 -0.769 1.00 44.21 N ATOM 275 CA LYS A 16 -6.950 0.847 0.103 1.00 11.43 C ATOM 276 C LYS A 16 -7.878 -0.048 -0.711 1.00 33.32 C ATOM 277 O LYS A 16 -8.278 -1.121 -0.259 1.00 2.03 O ATOM 278 CB LYS A 16 -7.769 1.697 1.078 1.00 54.12 C ATOM 279 CG LYS A 16 -8.139 0.968 2.358 1.00 12.32 C ATOM 280 CD LYS A 16 -9.634 1.023 2.619 1.00 53.51 C ATOM 281 CE LYS A 16 -10.405 0.172 1.622 1.00 15.41 C ATOM 282 NZ LYS A 16 -11.870 0.193 1.891 1.00 53.12 N ATOM 0 H LYS A 16 -6.479 2.669 -0.821 1.00 44.21 H new ATOM 0 HA LYS A 16 -6.267 0.213 0.668 1.00 11.43 H new ATOM 0 HB2 LYS A 16 -7.202 2.593 1.331 1.00 54.12 H new ATOM 0 HB3 LYS A 16 -8.681 2.027 0.581 1.00 54.12 H new ATOM 0 HG2 LYS A 16 -7.819 -0.072 2.291 1.00 12.32 H new ATOM 0 HG3 LYS A 16 -7.606 1.413 3.198 1.00 12.32 H new ATOM 0 HD2 LYS A 16 -9.841 0.676 3.631 1.00 53.51 H new ATOM 0 HD3 LYS A 16 -9.977 2.056 2.559 1.00 53.51 H new ATOM 0 HE2 LYS A 16 -10.216 0.535 0.612 1.00 15.41 H new ATOM 0 HE3 LYS A 16 -10.043 -0.855 1.664 1.00 15.41 H new ATOM 0 HZ1 LYS A 16 -12.362 -0.385 1.180 1.00 53.12 H new ATOM 0 HZ2 LYS A 16 -12.054 -0.193 2.839 1.00 53.12 H new ATOM 0 HZ3 LYS A 16 -12.218 1.172 1.842 1.00 53.12 H new ATOM 296 N LYS A 17 -8.216 0.399 -1.915 1.00 74.24 N ATOM 297 CA LYS A 17 -9.095 -0.362 -2.796 1.00 75.11 C ATOM 298 C LYS A 17 -8.369 -1.572 -3.376 1.00 72.21 C ATOM 299 O LYS A 17 -8.840 -2.705 -3.264 1.00 25.23 O ATOM 300 CB LYS A 17 -9.613 0.527 -3.928 1.00 24.12 C ATOM 301 CG LYS A 17 -10.887 1.275 -3.580 1.00 44.33 C ATOM 302 CD LYS A 17 -12.097 0.667 -4.271 1.00 25.14 C ATOM 303 CE LYS A 17 -12.260 1.203 -5.684 1.00 72.34 C ATOM 304 NZ LYS A 17 -12.623 0.126 -6.647 1.00 54.12 N ATOM 0 H LYS A 17 -7.895 1.285 -2.304 1.00 74.24 H new ATOM 0 HA LYS A 17 -9.940 -0.716 -2.206 1.00 75.11 H new ATOM 0 HB2 LYS A 17 -8.840 1.248 -4.195 1.00 24.12 H new ATOM 0 HB3 LYS A 17 -9.793 -0.089 -4.809 1.00 24.12 H new ATOM 0 HG2 LYS A 17 -11.037 1.258 -2.500 1.00 44.33 H new ATOM 0 HG3 LYS A 17 -10.787 2.321 -3.872 1.00 44.33 H new ATOM 0 HD2 LYS A 17 -11.993 -0.418 -4.302 1.00 25.14 H new ATOM 0 HD3 LYS A 17 -12.995 0.884 -3.693 1.00 25.14 H new ATOM 0 HE2 LYS A 17 -13.031 1.974 -5.693 1.00 72.34 H new ATOM 0 HE3 LYS A 17 -11.331 1.677 -6.002 1.00 72.34 H new ATOM 0 HZ1 LYS A 17 -12.725 0.532 -7.599 1.00 54.12 H new ATOM 0 HZ2 LYS A 17 -11.876 -0.597 -6.657 1.00 54.12 H new ATOM 0 HZ3 LYS A 17 -13.522 -0.309 -6.358 1.00 54.12 H new ATOM 318 N LEU A 18 -7.220 -1.324 -3.996 1.00 14.24 N ATOM 319 CA LEU A 18 -6.427 -2.394 -4.593 1.00 55.21 C ATOM 320 C LEU A 18 -6.119 -3.481 -3.568 1.00 14.42 C ATOM 321 O LEU A 18 -6.025 -4.660 -3.908 1.00 33.21 O ATOM 322 CB LEU A 18 -5.125 -1.832 -5.165 1.00 12.11 C ATOM 323 CG LEU A 18 -5.263 -0.942 -6.400 1.00 61.13 C ATOM 324 CD1 LEU A 18 -3.903 -0.421 -6.838 1.00 41.31 C ATOM 325 CD2 LEU A 18 -5.935 -1.703 -7.534 1.00 4.41 C ATOM 0 H LEU A 18 -6.817 -0.393 -4.098 1.00 14.24 H new ATOM 0 HA LEU A 18 -7.010 -2.837 -5.401 1.00 55.21 H new ATOM 0 HB2 LEU A 18 -4.626 -1.259 -4.383 1.00 12.11 H new ATOM 0 HB3 LEU A 18 -4.471 -2.667 -5.415 1.00 12.11 H new ATOM 0 HG LEU A 18 -5.889 -0.089 -6.140 1.00 61.13 H new ATOM 0 HD11 LEU A 18 -4.022 0.211 -7.718 1.00 41.31 H new ATOM 0 HD12 LEU A 18 -3.459 0.162 -6.031 1.00 41.31 H new ATOM 0 HD13 LEU A 18 -3.252 -1.261 -7.079 1.00 41.31 H new ATOM 0 HD21 LEU A 18 -6.025 -1.054 -8.405 1.00 4.41 H new ATOM 0 HD22 LEU A 18 -5.335 -2.576 -7.792 1.00 4.41 H new ATOM 0 HD23 LEU A 18 -6.927 -2.025 -7.218 1.00 4.41 H new ATOM 337 N ALA A 19 -5.965 -3.076 -2.312 1.00 52.01 N ATOM 338 CA ALA A 19 -5.672 -4.015 -1.236 1.00 54.02 C ATOM 339 C ALA A 19 -6.865 -4.923 -0.961 1.00 52.31 C ATOM 340 O ALA A 19 -6.705 -6.043 -0.476 1.00 1.34 O ATOM 341 CB ALA A 19 -5.274 -3.265 0.026 1.00 52.55 C ATOM 0 H ALA A 19 -6.038 -2.103 -2.014 1.00 52.01 H new ATOM 0 HA ALA A 19 -4.837 -4.641 -1.551 1.00 54.02 H new ATOM 0 HB1 ALA A 19 -5.058 -3.979 0.821 1.00 52.55 H new ATOM 0 HB2 ALA A 19 -4.387 -2.664 -0.173 1.00 52.55 H new ATOM 0 HB3 ALA A 19 -6.092 -2.614 0.335 1.00 52.55 H new ATOM 347 N GLU A 20 -8.061 -4.433 -1.272 1.00 40.12 N ATOM 348 CA GLU A 20 -9.281 -5.202 -1.055 1.00 63.43 C ATOM 349 C GLU A 20 -9.404 -6.327 -2.079 1.00 2.24 C ATOM 350 O GLU A 20 -9.654 -7.478 -1.723 1.00 0.15 O ATOM 351 CB GLU A 20 -10.506 -4.289 -1.137 1.00 13.43 C ATOM 352 CG GLU A 20 -10.423 -3.076 -0.225 1.00 62.23 C ATOM 353 CD GLU A 20 -11.646 -2.924 0.658 1.00 5.13 C ATOM 354 OE1 GLU A 20 -11.549 -3.240 1.863 1.00 34.04 O ATOM 355 OE2 GLU A 20 -12.698 -2.490 0.146 1.00 15.24 O ATOM 0 H GLU A 20 -8.211 -3.508 -1.675 1.00 40.12 H new ATOM 0 HA GLU A 20 -9.230 -5.643 -0.060 1.00 63.43 H new ATOM 0 HB2 GLU A 20 -10.629 -3.952 -2.166 1.00 13.43 H new ATOM 0 HB3 GLU A 20 -11.396 -4.865 -0.882 1.00 13.43 H new ATOM 0 HG2 GLU A 20 -9.535 -3.158 0.402 1.00 62.23 H new ATOM 0 HG3 GLU A 20 -10.304 -2.178 -0.831 1.00 62.23 H new ATOM 363 N GLU A 21 -9.227 -5.985 -3.351 1.00 25.32 N ATOM 364 CA GLU A 21 -9.319 -6.967 -4.426 1.00 2.23 C ATOM 365 C GLU A 21 -8.098 -7.882 -4.433 1.00 63.50 C ATOM 366 O GLU A 21 -8.225 -9.104 -4.469 1.00 34.11 O ATOM 367 CB GLU A 21 -9.452 -6.263 -5.778 1.00 0.15 C ATOM 368 CG GLU A 21 -10.576 -5.243 -5.826 1.00 74.22 C ATOM 369 CD GLU A 21 -11.713 -5.669 -6.734 1.00 33.14 C ATOM 370 OE1 GLU A 21 -12.315 -4.790 -7.383 1.00 40.42 O ATOM 371 OE2 GLU A 21 -12.000 -6.883 -6.795 1.00 35.13 O ATOM 0 H GLU A 21 -9.019 -5.036 -3.663 1.00 25.32 H new ATOM 0 HA GLU A 21 -10.206 -7.577 -4.253 1.00 2.23 H new ATOM 0 HB2 GLU A 21 -8.511 -5.765 -6.013 1.00 0.15 H new ATOM 0 HB3 GLU A 21 -9.619 -7.011 -6.553 1.00 0.15 H new ATOM 0 HG2 GLU A 21 -10.961 -5.084 -4.819 1.00 74.22 H new ATOM 0 HG3 GLU A 21 -10.180 -4.288 -6.170 1.00 74.22 H new ATOM 379 N ALA A 22 -6.914 -7.279 -4.399 1.00 0.10 N ATOM 380 CA ALA A 22 -5.670 -8.038 -4.400 1.00 31.43 C ATOM 381 C ALA A 22 -5.626 -9.023 -3.237 1.00 64.24 C ATOM 382 O ALA A 22 -4.899 -10.014 -3.278 1.00 73.40 O ATOM 383 CB ALA A 22 -4.476 -7.096 -4.342 1.00 2.21 C ATOM 0 H ALA A 22 -6.791 -6.267 -4.370 1.00 0.10 H new ATOM 0 HA ALA A 22 -5.623 -8.609 -5.327 1.00 31.43 H new ATOM 0 HB1 ALA A 22 -3.554 -7.677 -4.343 1.00 2.21 H new ATOM 0 HB2 ALA A 22 -4.491 -6.436 -5.210 1.00 2.21 H new ATOM 0 HB3 ALA A 22 -4.527 -6.499 -3.431 1.00 2.21 H new ATOM 389 N ALA A 23 -6.409 -8.742 -2.201 1.00 5.43 N ATOM 390 CA ALA A 23 -6.460 -9.604 -1.027 1.00 12.22 C ATOM 391 C ALA A 23 -7.273 -10.863 -1.306 1.00 15.44 C ATOM 392 O ALA A 23 -6.792 -11.981 -1.115 1.00 12.30 O ATOM 393 CB ALA A 23 -7.043 -8.848 0.158 1.00 54.35 C ATOM 0 H ALA A 23 -7.017 -7.924 -2.151 1.00 5.43 H new ATOM 0 HA ALA A 23 -5.441 -9.907 -0.785 1.00 12.22 H new ATOM 0 HB1 ALA A 23 -7.075 -9.504 1.028 1.00 54.35 H new ATOM 0 HB2 ALA A 23 -6.419 -7.982 0.379 1.00 54.35 H new ATOM 0 HB3 ALA A 23 -8.053 -8.516 -0.083 1.00 54.35 H new ATOM 399 N LYS A 24 -8.509 -10.677 -1.757 1.00 41.11 N ATOM 400 CA LYS A 24 -9.390 -11.798 -2.064 1.00 42.23 C ATOM 401 C LYS A 24 -8.861 -12.597 -3.250 1.00 14.34 C ATOM 402 O LYS A 24 -9.077 -13.807 -3.341 1.00 24.53 O ATOM 403 CB LYS A 24 -10.803 -11.294 -2.364 1.00 13.30 C ATOM 404 CG LYS A 24 -10.974 -10.770 -3.780 1.00 51.33 C ATOM 405 CD LYS A 24 -11.463 -11.858 -4.721 1.00 35.20 C ATOM 406 CE LYS A 24 -12.944 -11.705 -5.030 1.00 42.54 C ATOM 407 NZ LYS A 24 -13.177 -10.837 -6.217 1.00 64.33 N ATOM 0 H LYS A 24 -8.924 -9.759 -1.918 1.00 41.11 H new ATOM 0 HA LYS A 24 -9.421 -12.453 -1.193 1.00 42.23 H new ATOM 0 HB2 LYS A 24 -11.512 -12.105 -2.198 1.00 13.30 H new ATOM 0 HB3 LYS A 24 -11.054 -10.501 -1.659 1.00 13.30 H new ATOM 0 HG2 LYS A 24 -11.683 -9.942 -3.780 1.00 51.33 H new ATOM 0 HG3 LYS A 24 -10.024 -10.376 -4.140 1.00 51.33 H new ATOM 0 HD2 LYS A 24 -10.891 -11.822 -5.648 1.00 35.20 H new ATOM 0 HD3 LYS A 24 -11.283 -12.835 -4.273 1.00 35.20 H new ATOM 0 HE2 LYS A 24 -13.381 -12.688 -5.207 1.00 42.54 H new ATOM 0 HE3 LYS A 24 -13.453 -11.281 -4.165 1.00 42.54 H new ATOM 0 HZ1 LYS A 24 -14.199 -10.758 -6.394 1.00 64.33 H new ATOM 0 HZ2 LYS A 24 -12.783 -9.891 -6.038 1.00 64.33 H new ATOM 0 HZ3 LYS A 24 -12.713 -11.254 -7.049 1.00 64.33 H new ATOM 421 N LEU A 25 -8.167 -11.916 -4.154 1.00 43.02 N ATOM 422 CA LEU A 25 -7.604 -12.563 -5.335 1.00 53.32 C ATOM 423 C LEU A 25 -6.336 -13.334 -4.981 1.00 41.02 C ATOM 424 O LEU A 25 -6.126 -14.453 -5.449 1.00 74.03 O ATOM 425 CB LEU A 25 -7.300 -11.524 -6.414 1.00 22.41 C ATOM 426 CG LEU A 25 -8.289 -11.454 -7.578 1.00 53.32 C ATOM 427 CD1 LEU A 25 -7.847 -10.412 -8.593 1.00 74.32 C ATOM 428 CD2 LEU A 25 -8.434 -12.817 -8.238 1.00 31.11 C ATOM 0 H LEU A 25 -7.980 -10.915 -4.093 1.00 43.02 H new ATOM 0 HA LEU A 25 -8.341 -13.269 -5.718 1.00 53.32 H new ATOM 0 HB2 LEU A 25 -7.255 -10.542 -5.942 1.00 22.41 H new ATOM 0 HB3 LEU A 25 -6.309 -11.729 -6.818 1.00 22.41 H new ATOM 0 HG LEU A 25 -9.262 -11.158 -7.185 1.00 53.32 H new ATOM 0 HD11 LEU A 25 -8.563 -10.377 -9.414 1.00 74.32 H new ATOM 0 HD12 LEU A 25 -7.797 -9.435 -8.113 1.00 74.32 H new ATOM 0 HD13 LEU A 25 -6.863 -10.676 -8.981 1.00 74.32 H new ATOM 0 HD21 LEU A 25 -9.142 -12.748 -9.064 1.00 31.11 H new ATOM 0 HD22 LEU A 25 -7.465 -13.143 -8.616 1.00 31.11 H new ATOM 0 HD23 LEU A 25 -8.799 -13.538 -7.507 1.00 31.11 H new ATOM 440 N LEU A 26 -5.495 -12.728 -4.151 1.00 21.01 N ATOM 441 CA LEU A 26 -4.247 -13.357 -3.732 1.00 71.51 C ATOM 442 C LEU A 26 -4.496 -14.774 -3.224 1.00 23.05 C ATOM 443 O LEU A 26 -3.826 -15.719 -3.639 1.00 4.21 O ATOM 444 CB LEU A 26 -3.572 -12.523 -2.641 1.00 74.15 C ATOM 445 CG LEU A 26 -2.469 -11.575 -3.108 1.00 64.43 C ATOM 446 CD1 LEU A 26 -2.182 -10.524 -2.046 1.00 71.33 C ATOM 447 CD2 LEU A 26 -1.205 -12.353 -3.446 1.00 63.13 C ATOM 0 H LEU A 26 -5.654 -11.802 -3.755 1.00 21.01 H new ATOM 0 HA LEU A 26 -3.588 -13.411 -4.598 1.00 71.51 H new ATOM 0 HB2 LEU A 26 -4.338 -11.936 -2.134 1.00 74.15 H new ATOM 0 HB3 LEU A 26 -3.150 -13.203 -1.901 1.00 74.15 H new ATOM 0 HG LEU A 26 -2.811 -11.067 -4.009 1.00 64.43 H new ATOM 0 HD11 LEU A 26 -1.394 -9.858 -2.397 1.00 71.33 H new ATOM 0 HD12 LEU A 26 -3.086 -9.946 -1.852 1.00 71.33 H new ATOM 0 HD13 LEU A 26 -1.861 -11.014 -1.127 1.00 71.33 H new ATOM 0 HD21 LEU A 26 -0.430 -11.662 -3.777 1.00 63.13 H new ATOM 0 HD22 LEU A 26 -0.860 -12.889 -2.562 1.00 63.13 H new ATOM 0 HD23 LEU A 26 -1.419 -13.066 -4.242 1.00 63.13 H new ATOM 459 N GLU A 27 -5.465 -14.913 -2.325 1.00 11.41 N ATOM 460 CA GLU A 27 -5.803 -16.215 -1.762 1.00 62.35 C ATOM 461 C GLU A 27 -6.885 -16.903 -2.591 1.00 25.30 C ATOM 462 O GLU A 27 -7.466 -17.900 -2.167 1.00 41.11 O ATOM 463 CB GLU A 27 -6.275 -16.062 -0.315 1.00 3.25 C ATOM 464 CG GLU A 27 -5.405 -15.133 0.515 1.00 62.53 C ATOM 465 CD GLU A 27 -5.735 -15.187 1.993 1.00 11.42 C ATOM 466 OE1 GLU A 27 -5.029 -15.906 2.732 1.00 41.32 O ATOM 467 OE2 GLU A 27 -6.700 -14.514 2.412 1.00 3.14 O ATOM 0 H GLU A 27 -6.029 -14.141 -1.971 1.00 11.41 H new ATOM 0 HA GLU A 27 -4.906 -16.834 -1.781 1.00 62.35 H new ATOM 0 HB2 GLU A 27 -7.298 -15.686 -0.313 1.00 3.25 H new ATOM 0 HB3 GLU A 27 -6.296 -17.044 0.157 1.00 3.25 H new ATOM 0 HG2 GLU A 27 -4.358 -15.398 0.371 1.00 62.53 H new ATOM 0 HG3 GLU A 27 -5.527 -14.111 0.157 1.00 62.53 H new ATOM 475 N GLY A 28 -7.149 -16.359 -3.776 1.00 3.41 N ATOM 476 CA GLY A 28 -8.159 -16.932 -4.645 1.00 55.12 C ATOM 477 C GLY A 28 -7.855 -18.369 -5.021 1.00 4.41 C ATOM 478 O GLY A 28 -8.721 -19.082 -5.526 1.00 30.54 O ATOM 0 H GLY A 28 -6.681 -15.533 -4.148 1.00 3.41 H new ATOM 0 HA2 GLY A 28 -9.128 -16.887 -4.149 1.00 55.12 H new ATOM 0 HA3 GLY A 28 -8.237 -16.331 -5.551 1.00 55.12 H new ATOM 482 N GLY A 29 -6.620 -18.795 -4.773 1.00 54.24 N ATOM 483 CA GLY A 29 -6.226 -20.153 -5.097 1.00 23.22 C ATOM 484 C GLY A 29 -4.862 -20.219 -5.758 1.00 51.34 C ATOM 485 O GLY A 29 -4.690 -20.889 -6.776 1.00 42.22 O ATOM 0 H GLY A 29 -5.886 -18.224 -4.354 1.00 54.24 H new ATOM 0 HA2 GLY A 29 -6.214 -20.752 -4.186 1.00 23.22 H new ATOM 0 HA3 GLY A 29 -6.969 -20.595 -5.760 1.00 23.22 H new ATOM 489 N GLY A 30 -3.891 -19.520 -5.179 1.00 1.34 N ATOM 490 CA GLY A 30 -2.550 -19.515 -5.733 1.00 1.04 C ATOM 491 C GLY A 30 -1.797 -18.239 -5.414 1.00 22.41 C ATOM 492 O GLY A 30 -1.798 -17.295 -6.203 1.00 53.15 O ATOM 0 H GLY A 30 -4.009 -18.957 -4.336 1.00 1.34 H new ATOM 0 HA2 GLY A 30 -1.995 -20.368 -5.342 1.00 1.04 H new ATOM 0 HA3 GLY A 30 -2.606 -19.640 -6.814 1.00 1.04 H new ATOM 496 N GLY A 31 -1.151 -18.209 -4.252 1.00 71.42 N ATOM 497 CA GLY A 31 -0.400 -17.033 -3.851 1.00 0.53 C ATOM 498 C GLY A 31 -0.458 -16.791 -2.356 1.00 31.14 C ATOM 499 O GLY A 31 -0.582 -15.651 -1.909 1.00 14.35 O ATOM 0 H GLY A 31 -1.134 -18.978 -3.582 1.00 71.42 H new ATOM 0 HA2 GLY A 31 0.640 -17.148 -4.157 1.00 0.53 H new ATOM 0 HA3 GLY A 31 -0.792 -16.160 -4.373 1.00 0.53 H new ATOM 503 N GLY A 32 -0.369 -17.867 -1.579 1.00 2.00 N ATOM 504 CA GLY A 32 -0.415 -17.745 -0.134 1.00 11.40 C ATOM 505 C GLY A 32 0.128 -18.973 0.569 1.00 4.32 C ATOM 506 O GLY A 32 0.450 -19.972 -0.072 1.00 54.10 O ATOM 0 H GLY A 32 -0.266 -18.821 -1.925 1.00 2.00 H new ATOM 0 HA2 GLY A 32 0.160 -16.871 0.172 1.00 11.40 H new ATOM 0 HA3 GLY A 32 -1.445 -17.576 0.181 1.00 11.40 H new ATOM 510 N GLY A 33 0.233 -18.897 1.892 1.00 4.35 N ATOM 511 CA GLY A 33 0.743 -20.017 2.661 1.00 22.11 C ATOM 512 C GLY A 33 0.372 -19.932 4.128 1.00 55.44 C ATOM 513 O GLY A 33 1.228 -20.059 5.002 1.00 33.45 O ATOM 0 H GLY A 33 -0.026 -18.080 2.445 1.00 4.35 H new ATOM 0 HA2 GLY A 33 0.354 -20.946 2.245 1.00 22.11 H new ATOM 0 HA3 GLY A 33 1.828 -20.055 2.566 1.00 22.11 H new ATOM 517 N GLY A 34 -0.912 -19.713 4.400 1.00 20.41 N ATOM 518 CA GLY A 34 -1.373 -19.612 5.772 1.00 44.04 C ATOM 519 C GLY A 34 -2.265 -18.407 5.997 1.00 13.43 C ATOM 520 O GLY A 34 -3.159 -18.131 5.198 1.00 2.23 O ATOM 0 H GLY A 34 -1.640 -19.604 3.694 1.00 20.41 H new ATOM 0 HA2 GLY A 34 -1.918 -20.518 6.036 1.00 44.04 H new ATOM 0 HA3 GLY A 34 -0.512 -19.552 6.438 1.00 44.04 H new ATOM 524 N GLY A 35 -2.023 -17.689 7.090 1.00 60.14 N ATOM 525 CA GLY A 35 -2.822 -16.518 7.399 1.00 41.14 C ATOM 526 C GLY A 35 -1.972 -15.304 7.718 1.00 34.12 C ATOM 527 O GLY A 35 -2.008 -14.307 6.999 1.00 44.24 O ATOM 0 H GLY A 35 -1.288 -17.898 7.766 1.00 60.14 H new ATOM 0 HA2 GLY A 35 -3.471 -16.291 6.553 1.00 41.14 H new ATOM 0 HA3 GLY A 35 -3.470 -16.737 8.248 1.00 41.14 H new ATOM 531 N GLU A 36 -1.205 -15.389 8.801 1.00 35.10 N ATOM 532 CA GLU A 36 -0.344 -14.288 9.214 1.00 1.11 C ATOM 533 C GLU A 36 0.537 -13.822 8.059 1.00 62.40 C ATOM 534 O GLU A 36 0.831 -12.633 7.927 1.00 43.33 O ATOM 535 CB GLU A 36 0.530 -14.711 10.397 1.00 51.13 C ATOM 536 CG GLU A 36 1.607 -13.699 10.751 1.00 4.02 C ATOM 537 CD GLU A 36 2.120 -13.864 12.168 1.00 41.42 C ATOM 538 OE1 GLU A 36 2.295 -12.837 12.858 1.00 32.02 O ATOM 539 OE2 GLU A 36 2.345 -15.017 12.588 1.00 31.53 O ATOM 0 H GLU A 36 -1.163 -16.208 9.407 1.00 35.10 H new ATOM 0 HA GLU A 36 -0.981 -13.458 9.520 1.00 1.11 H new ATOM 0 HB2 GLU A 36 -0.105 -14.872 11.268 1.00 51.13 H new ATOM 0 HB3 GLU A 36 1.002 -15.666 10.166 1.00 51.13 H new ATOM 0 HG2 GLU A 36 2.439 -13.800 10.054 1.00 4.02 H new ATOM 0 HG3 GLU A 36 1.208 -12.692 10.628 1.00 4.02 H new ATOM 547 N LEU A 37 0.956 -14.767 7.224 1.00 63.22 N ATOM 548 CA LEU A 37 1.804 -14.455 6.078 1.00 44.43 C ATOM 549 C LEU A 37 1.138 -13.423 5.173 1.00 44.21 C ATOM 550 O LEU A 37 1.763 -12.442 4.770 1.00 42.14 O ATOM 551 CB LEU A 37 2.110 -15.726 5.285 1.00 64.32 C ATOM 552 CG LEU A 37 2.911 -15.535 3.996 1.00 12.24 C ATOM 553 CD1 LEU A 37 4.404 -15.566 4.287 1.00 11.12 C ATOM 554 CD2 LEU A 37 2.543 -16.602 2.976 1.00 15.23 C ATOM 0 H LEU A 37 0.722 -15.755 7.319 1.00 63.22 H new ATOM 0 HA LEU A 37 2.738 -14.034 6.451 1.00 44.43 H new ATOM 0 HB2 LEU A 37 2.658 -16.411 5.932 1.00 64.32 H new ATOM 0 HB3 LEU A 37 1.166 -16.210 5.035 1.00 64.32 H new ATOM 0 HG LEU A 37 2.662 -14.560 3.577 1.00 12.24 H new ATOM 0 HD11 LEU A 37 4.959 -15.429 3.359 1.00 11.12 H new ATOM 0 HD12 LEU A 37 4.656 -14.765 4.982 1.00 11.12 H new ATOM 0 HD13 LEU A 37 4.669 -16.527 4.729 1.00 11.12 H new ATOM 0 HD21 LEU A 37 3.123 -16.450 2.065 1.00 15.23 H new ATOM 0 HD22 LEU A 37 2.762 -17.588 3.386 1.00 15.23 H new ATOM 0 HD23 LEU A 37 1.480 -16.533 2.745 1.00 15.23 H new ATOM 566 N MET A 38 -0.133 -13.651 4.859 1.00 10.54 N ATOM 567 CA MET A 38 -0.884 -12.740 4.005 1.00 64.33 C ATOM 568 C MET A 38 -1.174 -11.429 4.729 1.00 4.55 C ATOM 569 O MET A 38 -1.331 -10.381 4.102 1.00 34.14 O ATOM 570 CB MET A 38 -2.195 -13.389 3.557 1.00 1.20 C ATOM 571 CG MET A 38 -2.889 -12.643 2.430 1.00 52.15 C ATOM 572 SD MET A 38 -2.530 -13.344 0.808 1.00 2.42 S ATOM 573 CE MET A 38 -0.810 -12.883 0.613 1.00 54.33 C ATOM 0 H MET A 38 -0.664 -14.459 5.184 1.00 10.54 H new ATOM 0 HA MET A 38 -0.276 -12.523 3.127 1.00 64.33 H new ATOM 0 HB2 MET A 38 -1.993 -14.411 3.235 1.00 1.20 H new ATOM 0 HB3 MET A 38 -2.870 -13.451 4.410 1.00 1.20 H new ATOM 0 HG2 MET A 38 -3.966 -12.659 2.598 1.00 52.15 H new ATOM 0 HG3 MET A 38 -2.579 -11.598 2.446 1.00 52.15 H new ATOM 0 HE1 MET A 38 -0.610 -12.659 -0.435 1.00 54.33 H new ATOM 0 HE2 MET A 38 -0.598 -12.002 1.219 1.00 54.33 H new ATOM 0 HE3 MET A 38 -0.174 -13.707 0.936 1.00 54.33 H new ATOM 583 N LYS A 39 -1.245 -11.494 6.055 1.00 32.43 N ATOM 584 CA LYS A 39 -1.514 -10.313 6.867 1.00 60.24 C ATOM 585 C LYS A 39 -0.529 -9.194 6.544 1.00 20.45 C ATOM 586 O LYS A 39 -0.844 -8.012 6.693 1.00 13.25 O ATOM 587 CB LYS A 39 -1.436 -10.662 8.354 1.00 15.50 C ATOM 588 CG LYS A 39 -2.588 -10.103 9.171 1.00 11.21 C ATOM 589 CD LYS A 39 -2.592 -10.662 10.584 1.00 54.43 C ATOM 590 CE LYS A 39 -4.008 -10.806 11.122 1.00 0.30 C ATOM 591 NZ LYS A 39 -4.610 -12.116 10.754 1.00 53.44 N ATOM 0 H LYS A 39 -1.120 -12.353 6.590 1.00 32.43 H new ATOM 0 HA LYS A 39 -2.520 -9.965 6.634 1.00 60.24 H new ATOM 0 HB2 LYS A 39 -1.416 -11.746 8.464 1.00 15.50 H new ATOM 0 HB3 LYS A 39 -0.497 -10.284 8.759 1.00 15.50 H new ATOM 0 HG2 LYS A 39 -2.515 -9.016 9.209 1.00 11.21 H new ATOM 0 HG3 LYS A 39 -3.532 -10.342 8.681 1.00 11.21 H new ATOM 0 HD2 LYS A 39 -2.097 -11.633 10.594 1.00 54.43 H new ATOM 0 HD3 LYS A 39 -2.018 -10.005 11.238 1.00 54.43 H new ATOM 0 HE2 LYS A 39 -3.996 -10.704 12.207 1.00 0.30 H new ATOM 0 HE3 LYS A 39 -4.628 -9.999 10.732 1.00 0.30 H new ATOM 0 HZ1 LYS A 39 -5.574 -12.175 11.139 1.00 53.44 H new ATOM 0 HZ2 LYS A 39 -4.645 -12.203 9.718 1.00 53.44 H new ATOM 0 HZ3 LYS A 39 -4.032 -12.886 11.147 1.00 53.44 H new ATOM 605 N LEU A 40 0.664 -9.573 6.099 1.00 11.22 N ATOM 606 CA LEU A 40 1.696 -8.601 5.753 1.00 35.11 C ATOM 607 C LEU A 40 1.176 -7.595 4.732 1.00 71.23 C ATOM 608 O LEU A 40 1.127 -6.394 4.999 1.00 42.32 O ATOM 609 CB LEU A 40 2.931 -9.315 5.200 1.00 4.10 C ATOM 610 CG LEU A 40 4.180 -9.273 6.080 1.00 61.33 C ATOM 611 CD1 LEU A 40 5.295 -10.104 5.464 1.00 63.34 C ATOM 612 CD2 LEU A 40 4.637 -7.836 6.291 1.00 53.00 C ATOM 0 H LEU A 40 0.941 -10.546 5.969 1.00 11.22 H new ATOM 0 HA LEU A 40 1.971 -8.061 6.659 1.00 35.11 H new ATOM 0 HB2 LEU A 40 2.673 -10.359 5.020 1.00 4.10 H new ATOM 0 HB3 LEU A 40 3.177 -8.876 4.233 1.00 4.10 H new ATOM 0 HG LEU A 40 3.931 -9.700 7.052 1.00 61.33 H new ATOM 0 HD11 LEU A 40 6.176 -10.062 6.104 1.00 63.34 H new ATOM 0 HD12 LEU A 40 4.966 -11.139 5.366 1.00 63.34 H new ATOM 0 HD13 LEU A 40 5.543 -9.707 4.479 1.00 63.34 H new ATOM 0 HD21 LEU A 40 5.527 -7.826 6.920 1.00 53.00 H new ATOM 0 HD22 LEU A 40 4.868 -7.383 5.327 1.00 53.00 H new ATOM 0 HD23 LEU A 40 3.843 -7.269 6.777 1.00 53.00 H new ATOM 624 N CYS A 41 0.786 -8.093 3.563 1.00 32.25 N ATOM 625 CA CYS A 41 0.268 -7.237 2.502 1.00 30.54 C ATOM 626 C CYS A 41 -1.082 -6.644 2.893 1.00 35.51 C ATOM 627 O CYS A 41 -1.457 -5.571 2.423 1.00 73.44 O ATOM 628 CB CYS A 41 0.134 -8.029 1.200 1.00 52.11 C ATOM 629 SG CYS A 41 -1.181 -9.270 1.223 1.00 70.13 S ATOM 0 H CYS A 41 0.819 -9.085 3.327 1.00 32.25 H new ATOM 0 HA CYS A 41 0.973 -6.420 2.350 1.00 30.54 H new ATOM 0 HB2 CYS A 41 -0.052 -7.333 0.382 1.00 52.11 H new ATOM 0 HB3 CYS A 41 1.082 -8.524 0.989 1.00 52.11 H new ATOM 0 HG CYS A 41 -1.284 -9.771 2.418 1.00 70.13 H new ATOM 635 N GLU A 42 -1.806 -7.352 3.753 1.00 53.14 N ATOM 636 CA GLU A 42 -3.116 -6.896 4.204 1.00 70.14 C ATOM 637 C GLU A 42 -3.015 -5.528 4.874 1.00 54.22 C ATOM 638 O GLU A 42 -3.984 -4.771 4.909 1.00 70.10 O ATOM 639 CB GLU A 42 -3.727 -7.908 5.176 1.00 52.04 C ATOM 640 CG GLU A 42 -5.219 -7.719 5.393 1.00 21.22 C ATOM 641 CD GLU A 42 -5.797 -8.724 6.371 1.00 75.33 C ATOM 642 OE1 GLU A 42 -5.851 -8.412 7.579 1.00 42.01 O ATOM 643 OE2 GLU A 42 -6.196 -9.821 5.928 1.00 30.24 O ATOM 0 H GLU A 42 -1.509 -8.243 4.151 1.00 53.14 H new ATOM 0 HA GLU A 42 -3.762 -6.807 3.330 1.00 70.14 H new ATOM 0 HB2 GLU A 42 -3.548 -8.915 4.799 1.00 52.04 H new ATOM 0 HB3 GLU A 42 -3.216 -7.831 6.136 1.00 52.04 H new ATOM 0 HG2 GLU A 42 -5.404 -6.710 5.762 1.00 21.22 H new ATOM 0 HG3 GLU A 42 -5.736 -7.808 4.437 1.00 21.22 H new ATOM 651 N GLU A 43 -1.835 -5.222 5.404 1.00 43.12 N ATOM 652 CA GLU A 43 -1.609 -3.946 6.074 1.00 32.23 C ATOM 653 C GLU A 43 -1.973 -2.779 5.160 1.00 53.00 C ATOM 654 O GLU A 43 -2.345 -1.704 5.628 1.00 24.24 O ATOM 655 CB GLU A 43 -0.147 -3.828 6.511 1.00 63.30 C ATOM 656 CG GLU A 43 0.296 -4.929 7.459 1.00 13.31 C ATOM 657 CD GLU A 43 0.591 -4.414 8.854 1.00 4.03 C ATOM 658 OE1 GLU A 43 1.566 -3.649 9.009 1.00 5.03 O ATOM 659 OE2 GLU A 43 -0.152 -4.776 9.791 1.00 40.12 O ATOM 0 H GLU A 43 -1.022 -5.838 5.383 1.00 43.12 H new ATOM 0 HA GLU A 43 -2.250 -3.908 6.955 1.00 32.23 H new ATOM 0 HB2 GLU A 43 0.490 -3.844 5.627 1.00 63.30 H new ATOM 0 HB3 GLU A 43 0.002 -2.862 6.994 1.00 63.30 H new ATOM 0 HG2 GLU A 43 -0.482 -5.691 7.514 1.00 13.31 H new ATOM 0 HG3 GLU A 43 1.187 -5.412 7.058 1.00 13.31 H new ATOM 667 N ALA A 44 -1.865 -3.001 3.854 1.00 5.44 N ATOM 668 CA ALA A 44 -2.184 -1.969 2.876 1.00 73.40 C ATOM 669 C ALA A 44 -3.566 -1.379 3.131 1.00 51.41 C ATOM 670 O ALA A 44 -3.742 -0.161 3.122 1.00 12.52 O ATOM 671 CB ALA A 44 -2.103 -2.537 1.466 1.00 60.21 C ATOM 0 H ALA A 44 -1.559 -3.886 3.449 1.00 5.44 H new ATOM 0 HA ALA A 44 -1.452 -1.168 2.977 1.00 73.40 H new ATOM 0 HB1 ALA A 44 -2.344 -1.756 0.745 1.00 60.21 H new ATOM 0 HB2 ALA A 44 -1.094 -2.905 1.279 1.00 60.21 H new ATOM 0 HB3 ALA A 44 -2.813 -3.357 1.363 1.00 60.21 H new ATOM 677 N ALA A 45 -4.544 -2.250 3.360 1.00 74.53 N ATOM 678 CA ALA A 45 -5.911 -1.814 3.619 1.00 64.10 C ATOM 679 C ALA A 45 -6.035 -1.200 5.010 1.00 72.02 C ATOM 680 O ALA A 45 -6.949 -0.418 5.275 1.00 31.32 O ATOM 681 CB ALA A 45 -6.875 -2.981 3.466 1.00 45.13 C ATOM 0 H ALA A 45 -4.415 -3.262 3.371 1.00 74.53 H new ATOM 0 HA ALA A 45 -6.168 -1.048 2.888 1.00 64.10 H new ATOM 0 HB1 ALA A 45 -7.892 -2.641 3.662 1.00 45.13 H new ATOM 0 HB2 ALA A 45 -6.813 -3.373 2.451 1.00 45.13 H new ATOM 0 HB3 ALA A 45 -6.612 -3.766 4.175 1.00 45.13 H new ATOM 687 N LYS A 46 -5.113 -1.562 5.896 1.00 63.24 N ATOM 688 CA LYS A 46 -5.119 -1.046 7.260 1.00 55.13 C ATOM 689 C LYS A 46 -4.582 0.380 7.305 1.00 41.01 C ATOM 690 O LYS A 46 -5.230 1.283 7.835 1.00 11.34 O ATOM 691 CB LYS A 46 -4.283 -1.947 8.170 1.00 4.44 C ATOM 692 CG LYS A 46 -5.098 -2.668 9.229 1.00 11.00 C ATOM 693 CD LYS A 46 -4.975 -4.177 9.097 1.00 74.43 C ATOM 694 CE LYS A 46 -5.805 -4.899 10.147 1.00 2.43 C ATOM 695 NZ LYS A 46 -5.225 -4.750 11.511 1.00 21.51 N ATOM 0 H LYS A 46 -4.352 -2.211 5.694 1.00 63.24 H new ATOM 0 HA LYS A 46 -6.150 -1.037 7.615 1.00 55.13 H new ATOM 0 HB2 LYS A 46 -3.764 -2.685 7.558 1.00 4.44 H new ATOM 0 HB3 LYS A 46 -3.518 -1.344 8.660 1.00 4.44 H new ATOM 0 HG2 LYS A 46 -4.763 -2.360 10.219 1.00 11.00 H new ATOM 0 HG3 LYS A 46 -6.145 -2.379 9.143 1.00 11.00 H new ATOM 0 HD2 LYS A 46 -5.299 -4.484 8.102 1.00 74.43 H new ATOM 0 HD3 LYS A 46 -3.929 -4.468 9.196 1.00 74.43 H new ATOM 0 HE2 LYS A 46 -6.822 -4.506 10.140 1.00 2.43 H new ATOM 0 HE3 LYS A 46 -5.870 -5.957 9.894 1.00 2.43 H new ATOM 0 HZ1 LYS A 46 -5.770 -5.325 12.185 1.00 21.51 H new ATOM 0 HZ2 LYS A 46 -4.235 -5.070 11.504 1.00 21.51 H new ATOM 0 HZ3 LYS A 46 -5.264 -3.751 11.798 1.00 21.51 H new ATOM 709 N LYS A 47 -3.393 0.578 6.745 1.00 52.44 N ATOM 710 CA LYS A 47 -2.769 1.896 6.719 1.00 71.12 C ATOM 711 C LYS A 47 -3.543 2.846 5.811 1.00 45.51 C ATOM 712 O LYS A 47 -3.897 3.955 6.216 1.00 31.44 O ATOM 713 CB LYS A 47 -1.319 1.786 6.240 1.00 44.40 C ATOM 714 CG LYS A 47 -0.336 1.460 7.351 1.00 45.45 C ATOM 715 CD LYS A 47 0.107 0.008 7.295 1.00 3.45 C ATOM 716 CE LYS A 47 -0.125 -0.698 8.624 1.00 65.51 C ATOM 717 NZ LYS A 47 0.459 0.062 9.764 1.00 12.24 N ATOM 0 H LYS A 47 -2.842 -0.158 6.303 1.00 52.44 H new ATOM 0 HA LYS A 47 -2.782 2.297 7.732 1.00 71.12 H new ATOM 0 HB2 LYS A 47 -1.256 1.015 5.472 1.00 44.40 H new ATOM 0 HB3 LYS A 47 -1.027 2.726 5.772 1.00 44.40 H new ATOM 0 HG2 LYS A 47 0.535 2.110 7.270 1.00 45.45 H new ATOM 0 HG3 LYS A 47 -0.797 1.664 8.317 1.00 45.45 H new ATOM 0 HD2 LYS A 47 -0.439 -0.510 6.507 1.00 3.45 H new ATOM 0 HD3 LYS A 47 1.165 -0.041 7.035 1.00 3.45 H new ATOM 0 HE2 LYS A 47 -1.195 -0.828 8.784 1.00 65.51 H new ATOM 0 HE3 LYS A 47 0.315 -1.694 8.588 1.00 65.51 H new ATOM 0 HZ1 LYS A 47 0.636 -0.585 10.559 1.00 12.24 H new ATOM 0 HZ2 LYS A 47 1.355 0.499 9.467 1.00 12.24 H new ATOM 0 HZ3 LYS A 47 -0.205 0.804 10.063 1.00 12.24 H new ATOM 731 N ALA A 48 -3.806 2.406 4.585 1.00 0.21 N ATOM 732 CA ALA A 48 -4.542 3.217 3.624 1.00 21.45 C ATOM 733 C ALA A 48 -5.850 3.726 4.221 1.00 22.43 C ATOM 734 O ALA A 48 -6.199 4.895 4.066 1.00 62.14 O ATOM 735 CB ALA A 48 -4.813 2.418 2.357 1.00 10.44 C ATOM 0 H ALA A 48 -3.520 1.492 4.234 1.00 0.21 H new ATOM 0 HA ALA A 48 -3.929 4.082 3.371 1.00 21.45 H new ATOM 0 HB1 ALA A 48 -5.364 3.036 1.648 1.00 10.44 H new ATOM 0 HB2 ALA A 48 -3.867 2.110 1.912 1.00 10.44 H new ATOM 0 HB3 ALA A 48 -5.403 1.535 2.603 1.00 10.44 H new ATOM 741 N GLU A 49 -6.568 2.839 4.903 1.00 35.52 N ATOM 742 CA GLU A 49 -7.838 3.199 5.521 1.00 4.40 C ATOM 743 C GLU A 49 -7.612 3.984 6.811 1.00 31.20 C ATOM 744 O GLU A 49 -8.421 4.833 7.182 1.00 51.52 O ATOM 745 CB GLU A 49 -8.663 1.944 5.814 1.00 63.13 C ATOM 746 CG GLU A 49 -10.151 2.214 5.957 1.00 31.11 C ATOM 747 CD GLU A 49 -10.979 0.943 5.929 1.00 64.21 C ATOM 748 OE1 GLU A 49 -12.213 1.037 6.097 1.00 54.14 O ATOM 749 OE2 GLU A 49 -10.393 -0.143 5.741 1.00 53.23 O ATOM 0 H GLU A 49 -6.292 1.867 5.041 1.00 35.52 H new ATOM 0 HA GLU A 49 -8.386 3.830 4.822 1.00 4.40 H new ATOM 0 HB2 GLU A 49 -8.509 1.222 5.012 1.00 63.13 H new ATOM 0 HB3 GLU A 49 -8.296 1.484 6.731 1.00 63.13 H new ATOM 0 HG2 GLU A 49 -10.333 2.741 6.894 1.00 31.11 H new ATOM 0 HG3 GLU A 49 -10.476 2.873 5.152 1.00 31.11 H new ATOM 757 N GLU A 50 -6.507 3.692 7.489 1.00 24.53 N ATOM 758 CA GLU A 50 -6.174 4.369 8.737 1.00 32.50 C ATOM 759 C GLU A 50 -5.886 5.848 8.493 1.00 15.43 C ATOM 760 O GLU A 50 -6.450 6.719 9.156 1.00 51.11 O ATOM 761 CB GLU A 50 -4.965 3.704 9.398 1.00 54.11 C ATOM 762 CG GLU A 50 -5.337 2.628 10.404 1.00 71.11 C ATOM 763 CD GLU A 50 -5.384 3.151 11.827 1.00 3.11 C ATOM 764 OE1 GLU A 50 -6.327 3.904 12.150 1.00 42.20 O ATOM 765 OE2 GLU A 50 -4.479 2.809 12.616 1.00 34.34 O ATOM 0 H GLU A 50 -5.827 2.991 7.195 1.00 24.53 H new ATOM 0 HA GLU A 50 -7.032 4.289 9.404 1.00 32.50 H new ATOM 0 HB2 GLU A 50 -4.335 3.264 8.625 1.00 54.11 H new ATOM 0 HB3 GLU A 50 -4.370 4.467 9.899 1.00 54.11 H new ATOM 0 HG2 GLU A 50 -6.309 2.211 10.142 1.00 71.11 H new ATOM 0 HG3 GLU A 50 -4.615 1.814 10.344 1.00 71.11 H new ATOM 773 N LEU A 51 -5.004 6.123 7.539 1.00 12.34 N ATOM 774 CA LEU A 51 -4.639 7.495 7.208 1.00 63.40 C ATOM 775 C LEU A 51 -5.796 8.218 6.526 1.00 14.43 C ATOM 776 O LEU A 51 -6.058 9.390 6.800 1.00 55.33 O ATOM 777 CB LEU A 51 -3.407 7.512 6.300 1.00 70.21 C ATOM 778 CG LEU A 51 -3.584 6.881 4.918 1.00 5.34 C ATOM 779 CD1 LEU A 51 -3.943 7.942 3.890 1.00 61.05 C ATOM 780 CD2 LEU A 51 -2.320 6.141 4.505 1.00 53.22 C ATOM 0 H LEU A 51 -4.528 5.414 6.981 1.00 12.34 H new ATOM 0 HA LEU A 51 -4.406 8.016 8.137 1.00 63.40 H new ATOM 0 HB2 LEU A 51 -3.092 8.547 6.167 1.00 70.21 H new ATOM 0 HB3 LEU A 51 -2.595 6.995 6.812 1.00 70.21 H new ATOM 0 HG LEU A 51 -4.402 6.162 4.969 1.00 5.34 H new ATOM 0 HD11 LEU A 51 -4.065 7.475 2.913 1.00 61.05 H new ATOM 0 HD12 LEU A 51 -4.875 8.428 4.179 1.00 61.05 H new ATOM 0 HD13 LEU A 51 -3.147 8.685 3.840 1.00 61.05 H new ATOM 0 HD21 LEU A 51 -2.463 5.698 3.519 1.00 53.22 H new ATOM 0 HD22 LEU A 51 -1.484 6.840 4.471 1.00 53.22 H new ATOM 0 HD23 LEU A 51 -2.106 5.354 5.229 1.00 53.22 H new ATOM 792 N PHE A 52 -6.488 7.510 5.640 1.00 51.24 N ATOM 793 CA PHE A 52 -7.620 8.083 4.921 1.00 73.31 C ATOM 794 C PHE A 52 -8.798 8.320 5.860 1.00 74.32 C ATOM 795 O PHE A 52 -9.660 9.158 5.595 1.00 40.23 O ATOM 796 CB PHE A 52 -8.044 7.160 3.776 1.00 23.30 C ATOM 797 CG PHE A 52 -9.330 7.572 3.118 1.00 31.21 C ATOM 798 CD1 PHE A 52 -9.450 8.815 2.519 1.00 43.32 C ATOM 799 CD2 PHE A 52 -10.418 6.716 3.099 1.00 53.41 C ATOM 800 CE1 PHE A 52 -10.632 9.197 1.913 1.00 62.44 C ATOM 801 CE2 PHE A 52 -11.603 7.091 2.494 1.00 24.01 C ATOM 802 CZ PHE A 52 -11.710 8.334 1.902 1.00 40.14 C ATOM 0 H PHE A 52 -6.285 6.539 5.403 1.00 51.24 H new ATOM 0 HA PHE A 52 -7.308 9.043 4.509 1.00 73.31 H new ATOM 0 HB2 PHE A 52 -7.253 7.137 3.027 1.00 23.30 H new ATOM 0 HB3 PHE A 52 -8.150 6.145 4.159 1.00 23.30 H new ATOM 0 HD1 PHE A 52 -8.610 9.494 2.526 1.00 43.32 H new ATOM 0 HD2 PHE A 52 -10.340 5.744 3.562 1.00 53.41 H new ATOM 0 HE1 PHE A 52 -10.712 10.169 1.449 1.00 62.44 H new ATOM 0 HE2 PHE A 52 -12.444 6.413 2.484 1.00 24.01 H new ATOM 0 HZ PHE A 52 -12.635 8.631 1.431 1.00 40.14 H new ATOM 812 N LYS A 53 -8.830 7.574 6.959 1.00 51.44 N ATOM 813 CA LYS A 53 -9.901 7.702 7.940 1.00 52.23 C ATOM 814 C LYS A 53 -9.879 9.080 8.595 1.00 33.12 C ATOM 815 O LYS A 53 -10.854 9.829 8.521 1.00 4.44 O ATOM 816 CB LYS A 53 -9.774 6.615 9.009 1.00 2.15 C ATOM 817 CG LYS A 53 -10.646 6.856 10.230 1.00 74.13 C ATOM 818 CD LYS A 53 -9.850 7.457 11.375 1.00 43.13 C ATOM 819 CE LYS A 53 -10.533 8.693 11.940 1.00 11.42 C ATOM 820 NZ LYS A 53 -11.856 8.368 12.544 1.00 52.11 N ATOM 0 H LYS A 53 -8.126 6.874 7.193 1.00 51.44 H new ATOM 0 HA LYS A 53 -10.851 7.582 7.420 1.00 52.23 H new ATOM 0 HB2 LYS A 53 -10.037 5.653 8.570 1.00 2.15 H new ATOM 0 HB3 LYS A 53 -8.733 6.547 9.324 1.00 2.15 H new ATOM 0 HG2 LYS A 53 -11.466 7.524 9.966 1.00 74.13 H new ATOM 0 HG3 LYS A 53 -11.092 5.915 10.551 1.00 74.13 H new ATOM 0 HD2 LYS A 53 -9.728 6.715 12.164 1.00 43.13 H new ATOM 0 HD3 LYS A 53 -8.851 7.719 11.027 1.00 43.13 H new ATOM 0 HE2 LYS A 53 -9.892 9.150 12.694 1.00 11.42 H new ATOM 0 HE3 LYS A 53 -10.667 9.429 11.147 1.00 11.42 H new ATOM 0 HZ1 LYS A 53 -12.251 9.219 12.992 1.00 52.11 H new ATOM 0 HZ2 LYS A 53 -12.504 8.035 11.802 1.00 52.11 H new ATOM 0 HZ3 LYS A 53 -11.737 7.623 13.260 1.00 52.11 H new ATOM 834 N LEU A 54 -8.760 9.407 9.232 1.00 51.54 N ATOM 835 CA LEU A 54 -8.610 10.696 9.899 1.00 63.23 C ATOM 836 C LEU A 54 -8.387 11.813 8.883 1.00 13.23 C ATOM 837 O LEU A 54 -8.663 12.980 9.158 1.00 34.14 O ATOM 838 CB LEU A 54 -7.442 10.649 10.886 1.00 31.40 C ATOM 839 CG LEU A 54 -7.800 10.843 12.360 1.00 74.24 C ATOM 840 CD1 LEU A 54 -7.234 9.709 13.200 1.00 53.31 C ATOM 841 CD2 LEU A 54 -7.292 12.186 12.861 1.00 23.41 C ATOM 0 H LEU A 54 -7.944 8.799 9.301 1.00 51.54 H new ATOM 0 HA LEU A 54 -9.531 10.904 10.444 1.00 63.23 H new ATOM 0 HB2 LEU A 54 -6.940 9.687 10.778 1.00 31.40 H new ATOM 0 HB3 LEU A 54 -6.723 11.418 10.603 1.00 31.40 H new ATOM 0 HG LEU A 54 -8.886 10.831 12.455 1.00 74.24 H new ATOM 0 HD11 LEU A 54 -7.499 9.864 14.246 1.00 53.31 H new ATOM 0 HD12 LEU A 54 -7.648 8.761 12.857 1.00 53.31 H new ATOM 0 HD13 LEU A 54 -6.149 9.688 13.100 1.00 53.31 H new ATOM 0 HD21 LEU A 54 -7.556 12.306 13.912 1.00 23.41 H new ATOM 0 HD22 LEU A 54 -6.208 12.229 12.752 1.00 23.41 H new ATOM 0 HD23 LEU A 54 -7.747 12.987 12.279 1.00 23.41 H new ATOM 853 N ALA A 55 -7.889 11.444 7.707 1.00 42.31 N ATOM 854 CA ALA A 55 -7.633 12.413 6.649 1.00 60.44 C ATOM 855 C ALA A 55 -8.895 13.198 6.306 1.00 3.14 C ATOM 856 O ALA A 55 -8.835 14.393 6.020 1.00 24.32 O ATOM 857 CB ALA A 55 -7.093 11.712 5.412 1.00 62.53 C ATOM 0 H ALA A 55 -7.655 10.482 7.464 1.00 42.31 H new ATOM 0 HA ALA A 55 -6.885 13.119 7.010 1.00 60.44 H new ATOM 0 HB1 ALA A 55 -6.906 12.447 4.629 1.00 62.53 H new ATOM 0 HB2 ALA A 55 -6.162 11.202 5.660 1.00 62.53 H new ATOM 0 HB3 ALA A 55 -7.823 10.984 5.059 1.00 62.53 H new ATOM 863 N GLU A 56 -10.037 12.518 6.339 1.00 31.35 N ATOM 864 CA GLU A 56 -11.312 13.152 6.030 1.00 55.44 C ATOM 865 C GLU A 56 -11.515 14.406 6.876 1.00 5.13 C ATOM 866 O GLU A 56 -12.131 15.373 6.432 1.00 23.51 O ATOM 867 CB GLU A 56 -12.465 12.173 6.264 1.00 2.24 C ATOM 868 CG GLU A 56 -12.202 10.781 5.716 1.00 61.02 C ATOM 869 CD GLU A 56 -13.464 9.947 5.613 1.00 74.23 C ATOM 870 OE1 GLU A 56 -14.251 10.178 4.670 1.00 34.53 O ATOM 871 OE2 GLU A 56 -13.665 9.065 6.472 1.00 12.22 O ATOM 0 H GLU A 56 -10.104 11.528 6.577 1.00 31.35 H new ATOM 0 HA GLU A 56 -11.299 13.441 4.979 1.00 55.44 H new ATOM 0 HB2 GLU A 56 -12.659 12.102 7.334 1.00 2.24 H new ATOM 0 HB3 GLU A 56 -13.368 12.571 5.802 1.00 2.24 H new ATOM 0 HG2 GLU A 56 -11.744 10.863 4.730 1.00 61.02 H new ATOM 0 HG3 GLU A 56 -11.485 10.271 6.359 1.00 61.02 H new ATOM 879 N GLU A 57 -10.992 14.378 8.098 1.00 44.43 N ATOM 880 CA GLU A 57 -11.117 15.512 9.007 1.00 55.42 C ATOM 881 C GLU A 57 -10.469 16.760 8.413 1.00 11.11 C ATOM 882 O GLU A 57 -11.084 17.825 8.358 1.00 3.31 O ATOM 883 CB GLU A 57 -10.476 15.185 10.357 1.00 61.03 C ATOM 884 CG GLU A 57 -10.721 16.243 11.420 1.00 11.31 C ATOM 885 CD GLU A 57 -9.443 16.919 11.875 1.00 1.21 C ATOM 886 OE1 GLU A 57 -8.528 16.206 12.337 1.00 2.54 O ATOM 887 OE2 GLU A 57 -9.358 18.161 11.772 1.00 74.44 O ATOM 0 H GLU A 57 -10.479 13.584 8.481 1.00 44.43 H new ATOM 0 HA GLU A 57 -12.178 15.710 9.155 1.00 55.42 H new ATOM 0 HB2 GLU A 57 -10.863 14.230 10.711 1.00 61.03 H new ATOM 0 HB3 GLU A 57 -9.402 15.062 10.219 1.00 61.03 H new ATOM 0 HG2 GLU A 57 -11.406 16.995 11.028 1.00 11.31 H new ATOM 0 HG3 GLU A 57 -11.210 15.783 12.279 1.00 11.31 H new ATOM 895 N ARG A 58 -9.225 16.619 7.970 1.00 62.40 N ATOM 896 CA ARG A 58 -8.492 17.734 7.381 1.00 10.40 C ATOM 897 C ARG A 58 -8.937 17.978 5.942 1.00 12.43 C ATOM 898 O ARG A 58 -8.767 19.073 5.406 1.00 31.21 O ATOM 899 CB ARG A 58 -6.987 17.462 7.423 1.00 51.12 C ATOM 900 CG ARG A 58 -6.507 16.896 8.750 1.00 73.45 C ATOM 901 CD ARG A 58 -6.077 15.443 8.612 1.00 44.11 C ATOM 902 NE ARG A 58 -5.040 15.273 7.598 1.00 62.11 N ATOM 903 CZ ARG A 58 -3.787 15.687 7.752 1.00 23.21 C ATOM 904 NH1 ARG A 58 -3.417 16.292 8.872 1.00 13.30 N ATOM 905 NH2 ARG A 58 -2.900 15.496 6.783 1.00 11.41 N ATOM 0 H ARG A 58 -8.703 15.744 8.007 1.00 62.40 H new ATOM 0 HA ARG A 58 -8.709 18.628 7.966 1.00 10.40 H new ATOM 0 HB2 ARG A 58 -6.730 16.764 6.626 1.00 51.12 H new ATOM 0 HB3 ARG A 58 -6.453 18.390 7.219 1.00 51.12 H new ATOM 0 HG2 ARG A 58 -5.672 17.490 9.120 1.00 73.45 H new ATOM 0 HG3 ARG A 58 -7.304 16.972 9.489 1.00 73.45 H new ATOM 0 HD2 ARG A 58 -5.708 15.081 9.572 1.00 44.11 H new ATOM 0 HD3 ARG A 58 -6.942 14.832 8.352 1.00 44.11 H new ATOM 0 HE ARG A 58 -5.291 14.811 6.724 1.00 62.11 H new ATOM 0 HH11 ARG A 58 -4.095 16.441 9.619 1.00 13.30 H new ATOM 0 HH12 ARG A 58 -2.454 16.608 8.987 1.00 13.30 H new ATOM 0 HH21 ARG A 58 -3.180 15.031 5.919 1.00 11.41 H new ATOM 0 HH22 ARG A 58 -1.938 15.814 6.902 1.00 11.41 H new ATOM 919 N LEU A 59 -9.506 16.950 5.323 1.00 35.14 N ATOM 920 CA LEU A 59 -9.974 17.051 3.945 1.00 53.30 C ATOM 921 C LEU A 59 -11.363 17.678 3.887 1.00 2.01 C ATOM 922 O LEU A 59 -11.513 18.853 3.548 1.00 71.41 O ATOM 923 CB LEU A 59 -9.999 15.669 3.290 1.00 0.24 C ATOM 924 CG LEU A 59 -8.641 14.989 3.104 1.00 40.34 C ATOM 925 CD1 LEU A 59 -8.819 13.496 2.875 1.00 63.22 C ATOM 926 CD2 LEU A 59 -7.883 15.623 1.947 1.00 20.43 C ATOM 0 H LEU A 59 -9.655 16.037 5.753 1.00 35.14 H new ATOM 0 HA LEU A 59 -9.282 17.692 3.399 1.00 53.30 H new ATOM 0 HB2 LEU A 59 -10.631 15.015 3.891 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -10.474 15.761 2.313 1.00 0.24 H new ATOM 0 HG LEU A 59 -8.057 15.128 4.014 1.00 40.34 H new ATOM 0 HD11 LEU A 59 -7.843 13.029 2.745 1.00 63.22 H new ATOM 0 HD12 LEU A 59 -9.321 13.053 3.735 1.00 63.22 H new ATOM 0 HD13 LEU A 59 -9.421 13.334 1.981 1.00 63.22 H new ATOM 0 HD21 LEU A 59 -6.919 15.128 1.828 1.00 20.43 H new ATOM 0 HD22 LEU A 59 -8.462 15.515 1.030 1.00 20.43 H new ATOM 0 HD23 LEU A 59 -7.724 16.682 2.153 1.00 20.43 H new ATOM 938 N LYS A 60 -12.378 16.889 4.223 1.00 2.34 N ATOM 939 CA LYS A 60 -13.756 17.367 4.214 1.00 22.01 C ATOM 940 C LYS A 60 -14.236 17.669 5.629 1.00 44.31 C ATOM 941 O LYS A 60 -13.471 17.578 6.589 1.00 23.01 O ATOM 942 CB LYS A 60 -14.673 16.328 3.564 1.00 24.51 C ATOM 943 CG LYS A 60 -14.472 14.921 4.097 1.00 51.41 C ATOM 944 CD LYS A 60 -13.934 13.989 3.025 1.00 31.13 C ATOM 945 CE LYS A 60 -14.948 13.776 1.911 1.00 25.12 C ATOM 946 NZ LYS A 60 -14.369 13.007 0.774 1.00 51.32 N ATOM 0 H LYS A 60 -12.272 15.915 4.505 1.00 2.34 H new ATOM 0 HA LYS A 60 -13.791 18.289 3.633 1.00 22.01 H new ATOM 0 HB2 LYS A 60 -15.711 16.622 3.722 1.00 24.51 H new ATOM 0 HB3 LYS A 60 -14.502 16.328 2.488 1.00 24.51 H new ATOM 0 HG2 LYS A 60 -13.780 14.946 4.939 1.00 51.41 H new ATOM 0 HG3 LYS A 60 -15.419 14.535 4.474 1.00 51.41 H new ATOM 0 HD2 LYS A 60 -13.016 14.403 2.608 1.00 31.13 H new ATOM 0 HD3 LYS A 60 -13.676 13.029 3.472 1.00 31.13 H new ATOM 0 HE2 LYS A 60 -15.814 13.245 2.305 1.00 25.12 H new ATOM 0 HE3 LYS A 60 -15.303 14.742 1.553 1.00 25.12 H new ATOM 0 HZ1 LYS A 60 -15.091 12.883 0.036 1.00 51.32 H new ATOM 0 HZ2 LYS A 60 -13.558 13.526 0.381 1.00 51.32 H new ATOM 0 HZ3 LYS A 60 -14.054 12.075 1.110 1.00 51.32 H new ATOM 960 N LYS A 61 -15.510 18.028 5.753 1.00 61.42 N ATOM 961 CA LYS A 61 -16.094 18.342 7.051 1.00 15.22 C ATOM 962 C LYS A 61 -16.930 17.174 7.567 1.00 64.24 C ATOM 963 O LYS A 61 -17.096 17.003 8.776 1.00 62.22 O ATOM 964 CB LYS A 61 -16.960 19.600 6.953 1.00 33.22 C ATOM 965 CG LYS A 61 -17.111 20.338 8.272 1.00 65.24 C ATOM 966 CD LYS A 61 -18.330 21.246 8.266 1.00 30.10 C ATOM 967 CE LYS A 61 -19.250 20.951 9.441 1.00 21.33 C ATOM 968 NZ LYS A 61 -20.623 21.481 9.215 1.00 10.44 N ATOM 0 H LYS A 61 -16.158 18.109 4.969 1.00 61.42 H new ATOM 0 HA LYS A 61 -15.281 18.523 7.754 1.00 15.22 H new ATOM 0 HB2 LYS A 61 -16.524 20.275 6.216 1.00 33.22 H new ATOM 0 HB3 LYS A 61 -17.948 19.323 6.586 1.00 33.22 H new ATOM 0 HG2 LYS A 61 -17.197 19.618 9.085 1.00 65.24 H new ATOM 0 HG3 LYS A 61 -16.216 20.930 8.463 1.00 65.24 H new ATOM 0 HD2 LYS A 61 -18.010 22.287 8.306 1.00 30.10 H new ATOM 0 HD3 LYS A 61 -18.877 21.116 7.332 1.00 30.10 H new ATOM 0 HE2 LYS A 61 -19.298 19.874 9.603 1.00 21.33 H new ATOM 0 HE3 LYS A 61 -18.835 21.392 10.347 1.00 21.33 H new ATOM 0 HZ1 LYS A 61 -21.220 21.260 10.037 1.00 10.44 H new ATOM 0 HZ2 LYS A 61 -20.580 22.512 9.085 1.00 10.44 H new ATOM 0 HZ3 LYS A 61 -21.029 21.041 8.364 1.00 10.44 H new ATOM 982 N LEU A 62 -17.454 16.375 6.645 1.00 21.42 N ATOM 983 CA LEU A 62 -18.271 15.222 7.008 1.00 74.13 C ATOM 984 C LEU A 62 -19.512 15.656 7.780 1.00 42.33 C ATOM 985 O LEU A 62 -19.886 16.827 7.712 1.00 1.25 O ATOM 986 CB LEU A 62 -17.455 14.235 7.844 1.00 31.30 C ATOM 987 CG LEU A 62 -16.110 13.808 7.255 1.00 2.42 C ATOM 988 CD1 LEU A 62 -15.049 13.743 8.342 1.00 33.35 C ATOM 989 CD2 LEU A 62 -16.238 12.466 6.551 1.00 54.42 C ATOM 0 H LEU A 62 -17.328 16.504 5.641 1.00 21.42 H new ATOM 0 HA LEU A 62 -18.591 14.731 6.089 1.00 74.13 H new ATOM 0 HB2 LEU A 62 -17.275 14.680 8.823 1.00 31.30 H new ATOM 0 HB3 LEU A 62 -18.058 13.342 8.006 1.00 31.30 H new ATOM 0 HG LEU A 62 -15.803 14.553 6.520 1.00 2.42 H new ATOM 0 HD11 LEU A 62 -14.098 13.438 7.905 1.00 33.35 H new ATOM 0 HD12 LEU A 62 -14.938 14.725 8.801 1.00 33.35 H new ATOM 0 HD13 LEU A 62 -15.349 13.020 9.100 1.00 33.35 H new ATOM 0 HD21 LEU A 62 -15.271 12.178 6.138 1.00 54.42 H new ATOM 0 HD22 LEU A 62 -16.567 11.711 7.265 1.00 54.42 H new ATOM 0 HD23 LEU A 62 -16.967 12.546 5.745 1.00 54.42 H new ATOM 1002 N MET B 1 13.795 -21.139 -9.420 1.00 32.04 N ATOM 1003 CA MET B 1 13.510 -19.763 -9.807 1.00 63.02 C ATOM 1004 C MET B 1 12.009 -19.489 -9.779 1.00 35.53 C ATOM 1005 O MET B 1 11.574 -18.392 -9.432 1.00 53.11 O ATOM 1006 CB MET B 1 14.066 -19.477 -11.203 1.00 13.12 C ATOM 1007 CG MET B 1 15.485 -18.934 -11.193 1.00 24.34 C ATOM 1008 SD MET B 1 16.555 -19.760 -12.387 1.00 55.34 S ATOM 1009 CE MET B 1 17.328 -18.352 -13.179 1.00 24.24 C ATOM 0 H1 MET B 1 14.815 -21.247 -9.249 1.00 32.04 H new ATOM 0 H2 MET B 1 13.272 -21.371 -8.552 1.00 32.04 H new ATOM 0 H3 MET B 1 13.502 -21.782 -10.183 1.00 32.04 H new ATOM 0 HA MET B 1 13.995 -19.103 -9.088 1.00 63.02 H new ATOM 0 HB2 MET B 1 14.041 -20.395 -11.790 1.00 13.12 H new ATOM 0 HB3 MET B 1 13.415 -18.761 -11.704 1.00 13.12 H new ATOM 0 HG2 MET B 1 15.462 -17.866 -11.410 1.00 24.34 H new ATOM 0 HG3 MET B 1 15.906 -19.048 -10.194 1.00 24.34 H new ATOM 0 HE1 MET B 1 18.021 -18.700 -13.945 1.00 24.24 H new ATOM 0 HE2 MET B 1 16.562 -17.727 -13.639 1.00 24.24 H new ATOM 0 HE3 MET B 1 17.872 -17.770 -12.435 1.00 24.24 H new ATOM 1019 N LYS B 2 11.222 -20.496 -10.148 1.00 24.24 N ATOM 1020 CA LYS B 2 9.770 -20.365 -10.164 1.00 30.34 C ATOM 1021 C LYS B 2 9.331 -19.305 -11.168 1.00 72.42 C ATOM 1022 O LYS B 2 10.129 -18.468 -11.593 1.00 15.22 O ATOM 1023 CB LYS B 2 9.255 -20.007 -8.769 1.00 53.42 C ATOM 1024 CG LYS B 2 8.389 -21.088 -8.145 1.00 1.11 C ATOM 1025 CD LYS B 2 9.232 -22.198 -7.540 1.00 40.02 C ATOM 1026 CE LYS B 2 9.417 -23.352 -8.514 1.00 12.30 C ATOM 1027 NZ LYS B 2 10.206 -24.463 -7.914 1.00 70.14 N ATOM 0 H LYS B 2 11.566 -21.411 -10.440 1.00 24.24 H new ATOM 0 HA LYS B 2 9.346 -21.323 -10.466 1.00 30.34 H new ATOM 0 HB2 LYS B 2 10.105 -19.812 -8.116 1.00 53.42 H new ATOM 0 HB3 LYS B 2 8.681 -19.082 -8.829 1.00 53.42 H new ATOM 0 HG2 LYS B 2 7.757 -20.649 -7.374 1.00 1.11 H new ATOM 0 HG3 LYS B 2 7.725 -21.506 -8.902 1.00 1.11 H new ATOM 0 HD2 LYS B 2 10.206 -21.802 -7.255 1.00 40.02 H new ATOM 0 HD3 LYS B 2 8.757 -22.562 -6.629 1.00 40.02 H new ATOM 0 HE2 LYS B 2 8.441 -23.726 -8.824 1.00 12.30 H new ATOM 0 HE3 LYS B 2 9.920 -22.993 -9.412 1.00 12.30 H new ATOM 0 HZ1 LYS B 2 10.310 -25.230 -8.609 1.00 70.14 H new ATOM 0 HZ2 LYS B 2 11.147 -24.113 -7.641 1.00 70.14 H new ATOM 0 HZ3 LYS B 2 9.713 -24.823 -7.072 1.00 70.14 H new ATOM 1041 N LYS B 3 8.056 -19.343 -11.543 1.00 24.51 N ATOM 1042 CA LYS B 3 7.510 -18.384 -12.495 1.00 52.11 C ATOM 1043 C LYS B 3 6.092 -17.977 -12.103 1.00 4.33 C ATOM 1044 O LYS B 3 5.731 -16.801 -12.172 1.00 22.43 O ATOM 1045 CB LYS B 3 7.509 -18.978 -13.905 1.00 61.32 C ATOM 1046 CG LYS B 3 6.760 -18.132 -14.921 1.00 22.33 C ATOM 1047 CD LYS B 3 7.430 -18.174 -16.284 1.00 52.21 C ATOM 1048 CE LYS B 3 6.883 -19.307 -17.138 1.00 34.45 C ATOM 1049 NZ LYS B 3 7.563 -19.383 -18.461 1.00 70.42 N ATOM 0 H LYS B 3 7.382 -20.028 -11.201 1.00 24.51 H new ATOM 0 HA LYS B 3 8.142 -17.496 -12.482 1.00 52.11 H new ATOM 0 HB2 LYS B 3 8.539 -19.103 -14.238 1.00 61.32 H new ATOM 0 HB3 LYS B 3 7.062 -19.971 -13.871 1.00 61.32 H new ATOM 0 HG2 LYS B 3 5.734 -18.490 -15.008 1.00 22.33 H new ATOM 0 HG3 LYS B 3 6.710 -17.101 -14.571 1.00 22.33 H new ATOM 0 HD2 LYS B 3 7.276 -17.224 -16.796 1.00 52.21 H new ATOM 0 HD3 LYS B 3 8.506 -18.298 -16.158 1.00 52.21 H new ATOM 0 HE2 LYS B 3 7.008 -20.253 -16.610 1.00 34.45 H new ATOM 0 HE3 LYS B 3 5.813 -19.165 -17.287 1.00 34.45 H new ATOM 0 HZ1 LYS B 3 7.162 -20.168 -19.013 1.00 70.42 H new ATOM 0 HZ2 LYS B 3 7.422 -18.490 -18.976 1.00 70.42 H new ATOM 0 HZ3 LYS B 3 8.581 -19.544 -18.320 1.00 70.42 H new ATOM 1063 N LEU B 4 5.294 -18.955 -11.690 1.00 44.13 N ATOM 1064 CA LEU B 4 3.916 -18.697 -11.285 1.00 0.23 C ATOM 1065 C LEU B 4 3.869 -17.955 -9.954 1.00 24.45 C ATOM 1066 O LEU B 4 2.978 -17.139 -9.717 1.00 11.00 O ATOM 1067 CB LEU B 4 3.142 -20.013 -11.175 1.00 20.10 C ATOM 1068 CG LEU B 4 2.352 -20.432 -12.415 1.00 72.14 C ATOM 1069 CD1 LEU B 4 1.194 -19.476 -12.658 1.00 32.45 C ATOM 1070 CD2 LEU B 4 3.263 -20.490 -13.634 1.00 52.44 C ATOM 0 H LEU B 4 5.577 -19.933 -11.627 1.00 44.13 H new ATOM 0 HA LEU B 4 3.451 -18.070 -12.046 1.00 0.23 H new ATOM 0 HB2 LEU B 4 3.848 -20.807 -10.933 1.00 20.10 H new ATOM 0 HB3 LEU B 4 2.450 -19.935 -10.337 1.00 20.10 H new ATOM 0 HG LEU B 4 1.944 -21.428 -12.243 1.00 72.14 H new ATOM 0 HD11 LEU B 4 0.643 -19.790 -13.545 1.00 32.45 H new ATOM 0 HD12 LEU B 4 0.528 -19.484 -11.795 1.00 32.45 H new ATOM 0 HD13 LEU B 4 1.580 -18.468 -12.809 1.00 32.45 H new ATOM 0 HD21 LEU B 4 2.684 -20.790 -14.507 1.00 52.44 H new ATOM 0 HD22 LEU B 4 3.700 -19.507 -13.809 1.00 52.44 H new ATOM 0 HD23 LEU B 4 4.058 -21.215 -13.460 1.00 52.44 H new ATOM 1082 N ARG B 5 4.836 -18.240 -9.088 1.00 32.43 N ATOM 1083 CA ARG B 5 4.906 -17.598 -7.781 1.00 22.53 C ATOM 1084 C ARG B 5 5.329 -16.138 -7.914 1.00 70.34 C ATOM 1085 O ARG B 5 4.798 -15.264 -7.230 1.00 1.23 O ATOM 1086 CB ARG B 5 5.888 -18.344 -6.875 1.00 13.40 C ATOM 1087 CG ARG B 5 5.464 -19.769 -6.559 1.00 70.23 C ATOM 1088 CD ARG B 5 6.117 -20.275 -5.283 1.00 34.54 C ATOM 1089 NE ARG B 5 5.209 -21.103 -4.495 1.00 51.45 N ATOM 1090 CZ ARG B 5 4.180 -20.617 -3.808 1.00 22.33 C ATOM 1091 NH1 ARG B 5 3.932 -19.315 -3.814 1.00 1.12 N ATOM 1092 NH2 ARG B 5 3.399 -21.434 -3.115 1.00 11.53 N ATOM 0 H ARG B 5 5.582 -18.912 -9.268 1.00 32.43 H new ATOM 0 HA ARG B 5 3.912 -17.631 -7.334 1.00 22.53 H new ATOM 0 HB2 ARG B 5 6.867 -18.363 -7.353 1.00 13.40 H new ATOM 0 HB3 ARG B 5 5.999 -17.792 -5.942 1.00 13.40 H new ATOM 0 HG2 ARG B 5 4.380 -19.813 -6.456 1.00 70.23 H new ATOM 0 HG3 ARG B 5 5.732 -20.422 -7.390 1.00 70.23 H new ATOM 0 HD2 ARG B 5 7.007 -20.852 -5.535 1.00 34.54 H new ATOM 0 HD3 ARG B 5 6.447 -19.427 -4.683 1.00 34.54 H new ATOM 0 HE ARG B 5 5.373 -22.109 -4.470 1.00 51.45 H new ATOM 0 HH11 ARG B 5 4.531 -18.684 -4.346 1.00 1.12 H new ATOM 0 HH12 ARG B 5 3.142 -18.944 -3.286 1.00 1.12 H new ATOM 0 HH21 ARG B 5 3.587 -22.436 -3.109 1.00 11.53 H new ATOM 0 HH22 ARG B 5 2.610 -21.060 -2.588 1.00 11.53 H new ATOM 1106 N GLU B 6 6.287 -15.883 -8.800 1.00 62.11 N ATOM 1107 CA GLU B 6 6.781 -14.529 -9.021 1.00 12.54 C ATOM 1108 C GLU B 6 5.632 -13.574 -9.330 1.00 53.40 C ATOM 1109 O GLU B 6 5.722 -12.374 -9.073 1.00 4.32 O ATOM 1110 CB GLU B 6 7.794 -14.513 -10.167 1.00 71.12 C ATOM 1111 CG GLU B 6 8.996 -13.622 -9.905 1.00 60.33 C ATOM 1112 CD GLU B 6 10.068 -13.761 -10.968 1.00 71.32 C ATOM 1113 OE1 GLU B 6 10.668 -14.852 -11.065 1.00 63.41 O ATOM 1114 OE2 GLU B 6 10.307 -12.779 -11.702 1.00 34.24 O ATOM 0 H GLU B 6 6.736 -16.595 -9.376 1.00 62.11 H new ATOM 0 HA GLU B 6 7.272 -14.195 -8.107 1.00 12.54 H new ATOM 0 HB2 GLU B 6 8.140 -15.531 -10.349 1.00 71.12 H new ATOM 0 HB3 GLU B 6 7.295 -14.178 -11.077 1.00 71.12 H new ATOM 0 HG2 GLU B 6 8.670 -12.583 -9.857 1.00 60.33 H new ATOM 0 HG3 GLU B 6 9.421 -13.868 -8.932 1.00 60.33 H new ATOM 1122 N GLU B 7 4.550 -14.117 -9.882 1.00 25.42 N ATOM 1123 CA GLU B 7 3.385 -13.313 -10.227 1.00 54.13 C ATOM 1124 C GLU B 7 2.882 -12.535 -9.015 1.00 2.22 C ATOM 1125 O GLU B 7 2.292 -11.464 -9.152 1.00 11.55 O ATOM 1126 CB GLU B 7 2.267 -14.204 -10.774 1.00 24.45 C ATOM 1127 CG GLU B 7 2.637 -14.921 -12.062 1.00 55.22 C ATOM 1128 CD GLU B 7 1.455 -15.633 -12.692 1.00 70.52 C ATOM 1129 OE1 GLU B 7 1.322 -15.576 -13.932 1.00 75.33 O ATOM 1130 OE2 GLU B 7 0.664 -16.247 -11.946 1.00 71.30 O ATOM 0 H GLU B 7 4.457 -15.109 -10.099 1.00 25.42 H new ATOM 0 HA GLU B 7 3.682 -12.601 -10.996 1.00 54.13 H new ATOM 0 HB2 GLU B 7 2.001 -14.944 -10.019 1.00 24.45 H new ATOM 0 HB3 GLU B 7 1.380 -13.594 -10.949 1.00 24.45 H new ATOM 0 HG2 GLU B 7 3.043 -14.200 -12.772 1.00 55.22 H new ATOM 0 HG3 GLU B 7 3.426 -15.645 -11.857 1.00 55.22 H new ATOM 1138 N ALA B 8 3.120 -13.083 -7.827 1.00 34.33 N ATOM 1139 CA ALA B 8 2.694 -12.441 -6.590 1.00 54.31 C ATOM 1140 C ALA B 8 3.600 -11.266 -6.240 1.00 21.44 C ATOM 1141 O ALA B 8 3.181 -10.325 -5.567 1.00 21.32 O ATOM 1142 CB ALA B 8 2.672 -13.450 -5.452 1.00 55.33 C ATOM 0 H ALA B 8 3.606 -13.970 -7.696 1.00 34.33 H new ATOM 0 HA ALA B 8 1.685 -12.056 -6.739 1.00 54.31 H new ATOM 0 HB1 ALA B 8 2.352 -12.956 -4.534 1.00 55.33 H new ATOM 0 HB2 ALA B 8 1.977 -14.255 -5.693 1.00 55.33 H new ATOM 0 HB3 ALA B 8 3.671 -13.863 -5.312 1.00 55.33 H new ATOM 1148 N ALA B 9 4.845 -11.327 -6.702 1.00 21.34 N ATOM 1149 CA ALA B 9 5.810 -10.267 -6.439 1.00 1.34 C ATOM 1150 C ALA B 9 5.558 -9.060 -7.335 1.00 23.12 C ATOM 1151 O ALA B 9 5.905 -7.932 -6.986 1.00 62.11 O ATOM 1152 CB ALA B 9 7.228 -10.785 -6.633 1.00 45.35 C ATOM 0 H ALA B 9 5.209 -12.099 -7.260 1.00 21.34 H new ATOM 0 HA ALA B 9 5.690 -9.948 -5.404 1.00 1.34 H new ATOM 0 HB1 ALA B 9 7.939 -9.983 -6.433 1.00 45.35 H new ATOM 0 HB2 ALA B 9 7.411 -11.611 -5.946 1.00 45.35 H new ATOM 0 HB3 ALA B 9 7.351 -11.132 -7.659 1.00 45.35 H new ATOM 1158 N LYS B 10 4.952 -9.304 -8.492 1.00 21.23 N ATOM 1159 CA LYS B 10 4.652 -8.237 -9.439 1.00 21.40 C ATOM 1160 C LYS B 10 3.583 -7.302 -8.884 1.00 24.02 C ATOM 1161 O LYS B 10 3.782 -6.088 -8.817 1.00 42.51 O ATOM 1162 CB LYS B 10 4.186 -8.827 -10.773 1.00 11.44 C ATOM 1163 CG LYS B 10 5.068 -9.955 -11.279 1.00 34.40 C ATOM 1164 CD LYS B 10 5.031 -10.054 -12.795 1.00 41.00 C ATOM 1165 CE LYS B 10 5.891 -8.981 -13.445 1.00 15.15 C ATOM 1166 NZ LYS B 10 6.070 -9.222 -14.903 1.00 62.15 N ATOM 0 H LYS B 10 4.659 -10.232 -8.797 1.00 21.23 H new ATOM 0 HA LYS B 10 5.564 -7.662 -9.601 1.00 21.40 H new ATOM 0 HB2 LYS B 10 3.166 -9.196 -10.661 1.00 11.44 H new ATOM 0 HB3 LYS B 10 4.158 -8.035 -11.521 1.00 11.44 H new ATOM 0 HG2 LYS B 10 6.094 -9.792 -10.949 1.00 34.40 H new ATOM 0 HG3 LYS B 10 4.739 -10.899 -10.844 1.00 34.40 H new ATOM 0 HD2 LYS B 10 5.380 -11.039 -13.105 1.00 41.00 H new ATOM 0 HD3 LYS B 10 4.002 -9.957 -13.142 1.00 41.00 H new ATOM 0 HE2 LYS B 10 5.431 -8.005 -13.292 1.00 15.15 H new ATOM 0 HE3 LYS B 10 6.866 -8.953 -12.959 1.00 15.15 H new ATOM 0 HZ1 LYS B 10 6.662 -8.469 -15.309 1.00 62.15 H new ATOM 0 HZ2 LYS B 10 6.532 -10.142 -15.049 1.00 62.15 H new ATOM 0 HZ3 LYS B 10 5.141 -9.223 -15.371 1.00 62.15 H new ATOM 1180 N LEU B 11 2.452 -7.873 -8.487 1.00 45.44 N ATOM 1181 CA LEU B 11 1.351 -7.089 -7.936 1.00 31.44 C ATOM 1182 C LEU B 11 1.817 -6.262 -6.742 1.00 13.21 C ATOM 1183 O LEU B 11 1.483 -5.083 -6.622 1.00 11.40 O ATOM 1184 CB LEU B 11 0.204 -8.009 -7.518 1.00 1.42 C ATOM 1185 CG LEU B 11 0.595 -9.243 -6.704 1.00 33.44 C ATOM 1186 CD1 LEU B 11 0.459 -8.968 -5.215 1.00 1.01 C ATOM 1187 CD2 LEU B 11 -0.256 -10.439 -7.107 1.00 32.54 C ATOM 0 H LEU B 11 2.272 -8.876 -8.536 1.00 45.44 H new ATOM 0 HA LEU B 11 0.998 -6.408 -8.710 1.00 31.44 H new ATOM 0 HB2 LEU B 11 -0.509 -7.426 -6.936 1.00 1.42 H new ATOM 0 HB3 LEU B 11 -0.315 -8.341 -8.417 1.00 1.42 H new ATOM 0 HG LEU B 11 1.639 -9.476 -6.914 1.00 33.44 H new ATOM 0 HD11 LEU B 11 0.742 -9.858 -4.653 1.00 1.01 H new ATOM 0 HD12 LEU B 11 1.112 -8.141 -4.937 1.00 1.01 H new ATOM 0 HD13 LEU B 11 -0.574 -8.708 -4.986 1.00 1.01 H new ATOM 0 HD21 LEU B 11 0.036 -11.308 -6.518 1.00 32.54 H new ATOM 0 HD22 LEU B 11 -1.307 -10.215 -6.927 1.00 32.54 H new ATOM 0 HD23 LEU B 11 -0.107 -10.652 -8.166 1.00 32.54 H new ATOM 1199 N PHE B 12 2.592 -6.887 -5.861 1.00 73.32 N ATOM 1200 CA PHE B 12 3.105 -6.209 -4.677 1.00 51.33 C ATOM 1201 C PHE B 12 4.102 -5.120 -5.062 1.00 12.33 C ATOM 1202 O PHE B 12 4.364 -4.202 -4.286 1.00 34.45 O ATOM 1203 CB PHE B 12 3.768 -7.215 -3.734 1.00 21.52 C ATOM 1204 CG PHE B 12 2.792 -8.113 -3.032 1.00 14.23 C ATOM 1205 CD1 PHE B 12 1.592 -7.614 -2.551 1.00 44.15 C ATOM 1206 CD2 PHE B 12 3.072 -9.459 -2.852 1.00 62.44 C ATOM 1207 CE1 PHE B 12 0.692 -8.439 -1.904 1.00 63.14 C ATOM 1208 CE2 PHE B 12 2.176 -10.288 -2.206 1.00 73.31 C ATOM 1209 CZ PHE B 12 0.983 -9.777 -1.732 1.00 54.11 C ATOM 0 H PHE B 12 2.878 -7.862 -5.945 1.00 73.32 H new ATOM 0 HA PHE B 12 2.265 -5.741 -4.164 1.00 51.33 H new ATOM 0 HB2 PHE B 12 4.468 -7.827 -4.303 1.00 21.52 H new ATOM 0 HB3 PHE B 12 4.351 -6.673 -2.989 1.00 21.52 H new ATOM 0 HD1 PHE B 12 1.358 -6.568 -2.683 1.00 44.15 H new ATOM 0 HD2 PHE B 12 4.002 -9.864 -3.222 1.00 62.44 H new ATOM 0 HE1 PHE B 12 -0.239 -8.037 -1.533 1.00 63.14 H new ATOM 0 HE2 PHE B 12 2.408 -11.334 -2.072 1.00 73.31 H new ATOM 0 HZ PHE B 12 0.280 -10.423 -1.228 1.00 54.11 H new ATOM 1219 N GLU B 13 4.655 -5.232 -6.266 1.00 74.04 N ATOM 1220 CA GLU B 13 5.625 -4.259 -6.754 1.00 41.41 C ATOM 1221 C GLU B 13 4.999 -2.871 -6.855 1.00 60.12 C ATOM 1222 O GLU B 13 5.694 -1.859 -6.776 1.00 45.13 O ATOM 1223 CB GLU B 13 6.168 -4.687 -8.119 1.00 71.04 C ATOM 1224 CG GLU B 13 7.635 -4.352 -8.323 1.00 23.13 C ATOM 1225 CD GLU B 13 8.533 -5.568 -8.202 1.00 14.42 C ATOM 1226 OE1 GLU B 13 8.264 -6.575 -8.892 1.00 44.35 O ATOM 1227 OE2 GLU B 13 9.503 -5.515 -7.417 1.00 14.23 O ATOM 0 H GLU B 13 4.448 -5.986 -6.921 1.00 74.04 H new ATOM 0 HA GLU B 13 6.449 -4.216 -6.041 1.00 41.41 H new ATOM 0 HB2 GLU B 13 6.030 -5.762 -8.234 1.00 71.04 H new ATOM 0 HB3 GLU B 13 5.582 -4.205 -8.901 1.00 71.04 H new ATOM 0 HG2 GLU B 13 7.768 -3.903 -9.307 1.00 23.13 H new ATOM 0 HG3 GLU B 13 7.939 -3.606 -7.589 1.00 23.13 H new ATOM 1235 N GLU B 14 3.681 -2.833 -7.030 1.00 31.51 N ATOM 1236 CA GLU B 14 2.963 -1.570 -7.144 1.00 52.43 C ATOM 1237 C GLU B 14 2.887 -0.863 -5.793 1.00 32.42 C ATOM 1238 O GLU B 14 2.926 0.365 -5.721 1.00 11.32 O ATOM 1239 CB GLU B 14 1.551 -1.808 -7.687 1.00 23.34 C ATOM 1240 CG GLU B 14 1.508 -2.758 -8.873 1.00 3.50 C ATOM 1241 CD GLU B 14 0.372 -2.446 -9.827 1.00 75.44 C ATOM 1242 OE1 GLU B 14 0.370 -1.337 -10.404 1.00 10.15 O ATOM 1243 OE2 GLU B 14 -0.514 -3.309 -9.999 1.00 63.21 O ATOM 0 H GLU B 14 3.090 -3.662 -7.096 1.00 31.51 H new ATOM 0 HA GLU B 14 3.510 -0.932 -7.838 1.00 52.43 H new ATOM 0 HB2 GLU B 14 0.926 -2.208 -6.889 1.00 23.34 H new ATOM 0 HB3 GLU B 14 1.118 -0.852 -7.982 1.00 23.34 H new ATOM 0 HG2 GLU B 14 2.455 -2.705 -9.411 1.00 3.50 H new ATOM 0 HG3 GLU B 14 1.404 -3.781 -8.511 1.00 3.50 H new ATOM 1251 N TRP B 15 2.778 -1.648 -4.728 1.00 1.31 N ATOM 1252 CA TRP B 15 2.697 -1.098 -3.379 1.00 54.43 C ATOM 1253 C TRP B 15 4.006 -0.424 -2.987 1.00 44.14 C ATOM 1254 O TRP B 15 4.007 0.665 -2.410 1.00 30.34 O ATOM 1255 CB TRP B 15 2.357 -2.202 -2.376 1.00 35.11 C ATOM 1256 CG TRP B 15 1.812 -1.680 -1.081 1.00 63.20 C ATOM 1257 CD1 TRP B 15 1.251 -0.454 -0.862 1.00 53.12 C ATOM 1258 CD2 TRP B 15 1.779 -2.368 0.174 1.00 24.03 C ATOM 1259 NE1 TRP B 15 0.871 -0.340 0.453 1.00 42.14 N ATOM 1260 CE2 TRP B 15 1.184 -1.500 1.110 1.00 55.02 C ATOM 1261 CE3 TRP B 15 2.195 -3.634 0.598 1.00 41.35 C ATOM 1262 CZ2 TRP B 15 0.995 -1.858 2.443 1.00 61.53 C ATOM 1263 CZ3 TRP B 15 2.006 -3.988 1.921 1.00 65.13 C ATOM 1264 CH2 TRP B 15 1.410 -3.103 2.830 1.00 74.31 C ATOM 0 H TRP B 15 2.744 -2.666 -4.771 1.00 1.31 H new ATOM 0 HA TRP B 15 1.906 -0.348 -3.366 1.00 54.43 H new ATOM 0 HB2 TRP B 15 1.628 -2.877 -2.823 1.00 35.11 H new ATOM 0 HB3 TRP B 15 3.253 -2.789 -2.175 1.00 35.11 H new ATOM 0 HD1 TRP B 15 1.125 0.313 -1.612 1.00 53.12 H new ATOM 0 HE1 TRP B 15 0.427 0.477 0.873 1.00 42.14 H new ATOM 0 HE3 TRP B 15 2.655 -4.322 -0.095 1.00 41.35 H new ATOM 0 HZ2 TRP B 15 0.537 -1.177 3.146 1.00 61.53 H new ATOM 0 HZ3 TRP B 15 2.323 -4.963 2.260 1.00 65.13 H new ATOM 0 HH2 TRP B 15 1.276 -3.410 3.857 1.00 74.31 H new ATOM 1275 N LYS B 16 5.121 -1.075 -3.302 1.00 54.04 N ATOM 1276 CA LYS B 16 6.437 -0.536 -2.984 1.00 21.44 C ATOM 1277 C LYS B 16 6.829 0.562 -3.968 1.00 32.35 C ATOM 1278 O LYS B 16 7.558 1.490 -3.620 1.00 41.35 O ATOM 1279 CB LYS B 16 7.485 -1.652 -3.004 1.00 43.02 C ATOM 1280 CG LYS B 16 8.705 -1.357 -2.148 1.00 62.21 C ATOM 1281 CD LYS B 16 9.993 -1.510 -2.940 1.00 54.21 C ATOM 1282 CE LYS B 16 10.149 -0.402 -3.970 1.00 4.50 C ATOM 1283 NZ LYS B 16 11.428 -0.522 -4.724 1.00 43.42 N ATOM 0 H LYS B 16 5.139 -1.977 -3.778 1.00 54.04 H new ATOM 0 HA LYS B 16 6.393 -0.104 -1.984 1.00 21.44 H new ATOM 0 HB2 LYS B 16 7.024 -2.578 -2.658 1.00 43.02 H new ATOM 0 HB3 LYS B 16 7.805 -1.820 -4.032 1.00 43.02 H new ATOM 0 HG2 LYS B 16 8.637 -0.343 -1.754 1.00 62.21 H new ATOM 0 HG3 LYS B 16 8.721 -2.031 -1.292 1.00 62.21 H new ATOM 0 HD2 LYS B 16 10.844 -1.497 -2.259 1.00 54.21 H new ATOM 0 HD3 LYS B 16 10.000 -2.478 -3.441 1.00 54.21 H new ATOM 0 HE2 LYS B 16 9.312 -0.434 -4.667 1.00 4.50 H new ATOM 0 HE3 LYS B 16 10.111 0.566 -3.471 1.00 4.50 H new ATOM 0 HZ1 LYS B 16 11.497 0.251 -5.416 1.00 43.42 H new ATOM 0 HZ2 LYS B 16 12.228 -0.466 -4.062 1.00 43.42 H new ATOM 0 HZ3 LYS B 16 11.453 -1.435 -5.221 1.00 43.42 H new ATOM 1297 N LYS B 17 6.341 0.449 -5.198 1.00 54.33 N ATOM 1298 CA LYS B 17 6.636 1.433 -6.233 1.00 22.44 C ATOM 1299 C LYS B 17 5.837 2.713 -6.010 1.00 63.11 C ATOM 1300 O LYS B 17 6.407 3.796 -5.870 1.00 4.11 O ATOM 1301 CB LYS B 17 6.325 0.858 -7.616 1.00 73.41 C ATOM 1302 CG LYS B 17 7.436 -0.011 -8.179 1.00 12.24 C ATOM 1303 CD LYS B 17 8.205 0.705 -9.275 1.00 64.33 C ATOM 1304 CE LYS B 17 7.517 0.562 -10.624 1.00 13.11 C ATOM 1305 NZ LYS B 17 7.530 1.836 -11.393 1.00 42.40 N ATOM 0 H LYS B 17 5.738 -0.315 -5.503 1.00 54.33 H new ATOM 0 HA LYS B 17 7.697 1.675 -6.178 1.00 22.44 H new ATOM 0 HB2 LYS B 17 5.409 0.269 -7.558 1.00 73.41 H new ATOM 0 HB3 LYS B 17 6.133 1.679 -8.306 1.00 73.41 H new ATOM 0 HG2 LYS B 17 8.120 -0.292 -7.378 1.00 12.24 H new ATOM 0 HG3 LYS B 17 7.012 -0.934 -8.575 1.00 12.24 H new ATOM 0 HD2 LYS B 17 8.299 1.761 -9.024 1.00 64.33 H new ATOM 0 HD3 LYS B 17 9.215 0.300 -9.336 1.00 64.33 H new ATOM 0 HE2 LYS B 17 8.013 -0.217 -11.203 1.00 13.11 H new ATOM 0 HE3 LYS B 17 6.487 0.240 -10.473 1.00 13.11 H new ATOM 0 HZ1 LYS B 17 7.051 1.696 -12.306 1.00 42.40 H new ATOM 0 HZ2 LYS B 17 7.034 2.573 -10.852 1.00 42.40 H new ATOM 0 HZ3 LYS B 17 8.513 2.131 -11.560 1.00 42.40 H new ATOM 1319 N LEU B 18 4.516 2.582 -5.978 1.00 72.40 N ATOM 1320 CA LEU B 18 3.638 3.729 -5.771 1.00 34.45 C ATOM 1321 C LEU B 18 4.015 4.480 -4.498 1.00 31.43 C ATOM 1322 O LEU B 18 3.860 5.698 -4.416 1.00 23.21 O ATOM 1323 CB LEU B 18 2.180 3.273 -5.696 1.00 14.10 C ATOM 1324 CG LEU B 18 1.585 2.711 -6.987 1.00 34.43 C ATOM 1325 CD1 LEU B 18 0.154 2.249 -6.759 1.00 51.41 C ATOM 1326 CD2 LEU B 18 1.640 3.751 -8.096 1.00 33.41 C ATOM 0 H LEU B 18 4.029 1.693 -6.093 1.00 72.40 H new ATOM 0 HA LEU B 18 3.757 4.405 -6.618 1.00 34.45 H new ATOM 0 HB2 LEU B 18 2.098 2.512 -4.920 1.00 14.10 H new ATOM 0 HB3 LEU B 18 1.572 4.119 -5.378 1.00 14.10 H new ATOM 0 HG LEU B 18 2.179 1.850 -7.293 1.00 34.43 H new ATOM 0 HD11 LEU B 18 -0.253 1.852 -7.689 1.00 51.41 H new ATOM 0 HD12 LEU B 18 0.140 1.471 -5.996 1.00 51.41 H new ATOM 0 HD13 LEU B 18 -0.452 3.092 -6.429 1.00 51.41 H new ATOM 0 HD21 LEU B 18 1.212 3.334 -9.008 1.00 33.41 H new ATOM 0 HD22 LEU B 18 1.071 4.631 -7.798 1.00 33.41 H new ATOM 0 HD23 LEU B 18 2.677 4.034 -8.278 1.00 33.41 H new ATOM 1338 N ALA B 19 4.511 3.745 -3.509 1.00 0.34 N ATOM 1339 CA ALA B 19 4.915 4.342 -2.242 1.00 53.54 C ATOM 1340 C ALA B 19 6.113 5.266 -2.427 1.00 42.54 C ATOM 1341 O ALA B 19 6.294 6.220 -1.672 1.00 5.25 O ATOM 1342 CB ALA B 19 5.234 3.256 -1.224 1.00 22.54 C ATOM 0 H ALA B 19 4.643 2.735 -3.560 1.00 0.34 H new ATOM 0 HA ALA B 19 4.083 4.940 -1.869 1.00 53.54 H new ATOM 0 HB1 ALA B 19 5.534 3.716 -0.283 1.00 22.54 H new ATOM 0 HB2 ALA B 19 4.350 2.639 -1.061 1.00 22.54 H new ATOM 0 HB3 ALA B 19 6.046 2.633 -1.599 1.00 22.54 H new ATOM 1348 N GLU B 20 6.928 4.975 -3.435 1.00 24.53 N ATOM 1349 CA GLU B 20 8.111 5.780 -3.717 1.00 61.34 C ATOM 1350 C GLU B 20 7.722 7.119 -4.340 1.00 22.35 C ATOM 1351 O GLU B 20 8.181 8.174 -3.903 1.00 54.35 O ATOM 1352 CB GLU B 20 9.058 5.026 -4.652 1.00 72.33 C ATOM 1353 CG GLU B 20 9.427 3.639 -4.156 1.00 55.53 C ATOM 1354 CD GLU B 20 10.925 3.412 -4.115 1.00 23.21 C ATOM 1355 OE1 GLU B 20 11.500 3.449 -3.007 1.00 42.01 O ATOM 1356 OE2 GLU B 20 11.523 3.198 -5.190 1.00 30.00 O ATOM 0 H GLU B 20 6.791 4.188 -4.070 1.00 24.53 H new ATOM 0 HA GLU B 20 8.621 5.972 -2.773 1.00 61.34 H new ATOM 0 HB2 GLU B 20 8.593 4.940 -5.634 1.00 72.33 H new ATOM 0 HB3 GLU B 20 9.969 5.611 -4.781 1.00 72.33 H new ATOM 0 HG2 GLU B 20 9.014 3.493 -3.158 1.00 55.53 H new ATOM 0 HG3 GLU B 20 8.968 2.892 -4.804 1.00 55.53 H new ATOM 1364 N GLU B 21 6.875 7.064 -5.363 1.00 51.13 N ATOM 1365 CA GLU B 21 6.426 8.272 -6.046 1.00 74.02 C ATOM 1366 C GLU B 21 5.444 9.054 -5.179 1.00 74.14 C ATOM 1367 O GLU B 21 5.607 10.255 -4.965 1.00 23.45 O ATOM 1368 CB GLU B 21 5.771 7.915 -7.383 1.00 15.55 C ATOM 1369 CG GLU B 21 6.636 7.032 -8.268 1.00 43.41 C ATOM 1370 CD GLU B 21 7.122 7.752 -9.511 1.00 40.42 C ATOM 1371 OE1 GLU B 21 7.230 7.098 -10.569 1.00 52.13 O ATOM 1372 OE2 GLU B 21 7.393 8.968 -9.425 1.00 34.54 O ATOM 0 H GLU B 21 6.487 6.198 -5.737 1.00 51.13 H new ATOM 0 HA GLU B 21 7.298 8.899 -6.232 1.00 74.02 H new ATOM 0 HB2 GLU B 21 4.826 7.408 -7.191 1.00 15.55 H new ATOM 0 HB3 GLU B 21 5.536 8.834 -7.920 1.00 15.55 H new ATOM 0 HG2 GLU B 21 7.495 6.681 -7.696 1.00 43.41 H new ATOM 0 HG3 GLU B 21 6.067 6.150 -8.562 1.00 43.41 H new ATOM 1380 N ALA B 22 4.421 8.365 -4.684 1.00 3.51 N ATOM 1381 CA ALA B 22 3.413 8.993 -3.839 1.00 62.52 C ATOM 1382 C ALA B 22 4.053 9.673 -2.633 1.00 23.00 C ATOM 1383 O ALA B 22 3.474 10.583 -2.041 1.00 34.11 O ATOM 1384 CB ALA B 22 2.388 7.964 -3.385 1.00 61.25 C ATOM 0 H ALA B 22 4.269 7.371 -4.854 1.00 3.51 H new ATOM 0 HA ALA B 22 2.907 9.758 -4.428 1.00 62.52 H new ATOM 0 HB1 ALA B 22 1.642 8.448 -2.755 1.00 61.25 H new ATOM 0 HB2 ALA B 22 1.900 7.528 -4.256 1.00 61.25 H new ATOM 0 HB3 ALA B 22 2.888 7.178 -2.818 1.00 61.25 H new ATOM 1390 N ALA B 23 5.252 9.225 -2.275 1.00 10.35 N ATOM 1391 CA ALA B 23 5.971 9.791 -1.140 1.00 35.10 C ATOM 1392 C ALA B 23 6.580 11.142 -1.495 1.00 21.33 C ATOM 1393 O ALA B 23 6.343 12.140 -0.814 1.00 64.13 O ATOM 1394 CB ALA B 23 7.052 8.830 -0.669 1.00 14.54 C ATOM 0 H ALA B 23 5.746 8.472 -2.754 1.00 10.35 H new ATOM 0 HA ALA B 23 5.258 9.945 -0.330 1.00 35.10 H new ATOM 0 HB1 ALA B 23 7.581 9.265 0.179 1.00 14.54 H new ATOM 0 HB2 ALA B 23 6.595 7.888 -0.367 1.00 14.54 H new ATOM 0 HB3 ALA B 23 7.756 8.648 -1.481 1.00 14.54 H new ATOM 1400 N LYS B 24 7.369 11.168 -2.565 1.00 53.25 N ATOM 1401 CA LYS B 24 8.012 12.398 -3.012 1.00 13.12 C ATOM 1402 C LYS B 24 6.978 13.403 -3.510 1.00 23.33 C ATOM 1403 O LYS B 24 7.180 14.615 -3.415 1.00 50.43 O ATOM 1404 CB LYS B 24 9.021 12.095 -4.122 1.00 41.20 C ATOM 1405 CG LYS B 24 8.386 11.930 -5.492 1.00 21.13 C ATOM 1406 CD LYS B 24 8.362 13.243 -6.256 1.00 72.31 C ATOM 1407 CE LYS B 24 9.444 13.286 -7.325 1.00 50.52 C ATOM 1408 NZ LYS B 24 8.963 12.739 -8.624 1.00 50.21 N ATOM 0 H LYS B 24 7.578 10.351 -3.138 1.00 53.25 H new ATOM 0 HA LYS B 24 8.536 12.835 -2.162 1.00 13.12 H new ATOM 0 HB2 LYS B 24 9.754 12.901 -4.165 1.00 41.20 H new ATOM 0 HB3 LYS B 24 9.563 11.184 -3.870 1.00 41.20 H new ATOM 0 HG2 LYS B 24 8.940 11.185 -6.064 1.00 21.13 H new ATOM 0 HG3 LYS B 24 7.369 11.554 -5.380 1.00 21.13 H new ATOM 0 HD2 LYS B 24 7.385 13.377 -6.720 1.00 72.31 H new ATOM 0 HD3 LYS B 24 8.502 14.072 -5.562 1.00 72.31 H new ATOM 0 HE2 LYS B 24 9.776 14.315 -7.465 1.00 50.52 H new ATOM 0 HE3 LYS B 24 10.309 12.715 -6.989 1.00 50.52 H new ATOM 0 HZ1 LYS B 24 9.729 12.786 -9.326 1.00 50.21 H new ATOM 0 HZ2 LYS B 24 8.670 11.749 -8.497 1.00 50.21 H new ATOM 0 HZ3 LYS B 24 8.153 13.299 -8.958 1.00 50.21 H new ATOM 1422 N LEU B 25 5.872 12.894 -4.040 1.00 43.31 N ATOM 1423 CA LEU B 25 4.806 13.748 -4.551 1.00 15.20 C ATOM 1424 C LEU B 25 3.966 14.314 -3.411 1.00 14.33 C ATOM 1425 O LEU B 25 3.606 15.491 -3.415 1.00 41.52 O ATOM 1426 CB LEU B 25 3.914 12.962 -5.515 1.00 5.05 C ATOM 1427 CG LEU B 25 4.112 13.256 -7.002 1.00 75.42 C ATOM 1428 CD1 LEU B 25 3.137 12.444 -7.840 1.00 31.51 C ATOM 1429 CD2 LEU B 25 3.946 14.742 -7.279 1.00 64.25 C ATOM 0 H LEU B 25 5.690 11.894 -4.127 1.00 43.31 H new ATOM 0 HA LEU B 25 5.266 14.579 -5.086 1.00 15.20 H new ATOM 0 HB2 LEU B 25 4.083 11.898 -5.350 1.00 5.05 H new ATOM 0 HB3 LEU B 25 2.873 13.162 -5.261 1.00 5.05 H new ATOM 0 HG LEU B 25 5.126 12.967 -7.278 1.00 75.42 H new ATOM 0 HD11 LEU B 25 3.292 12.666 -8.896 1.00 31.51 H new ATOM 0 HD12 LEU B 25 3.304 11.381 -7.664 1.00 31.51 H new ATOM 0 HD13 LEU B 25 2.115 12.702 -7.561 1.00 31.51 H new ATOM 0 HD21 LEU B 25 4.090 14.932 -8.343 1.00 64.25 H new ATOM 0 HD22 LEU B 25 2.944 15.057 -6.987 1.00 64.25 H new ATOM 0 HD23 LEU B 25 4.684 15.304 -6.706 1.00 64.25 H new ATOM 1441 N LEU B 26 3.659 13.467 -2.434 1.00 60.02 N ATOM 1442 CA LEU B 26 2.863 13.883 -1.283 1.00 73.11 C ATOM 1443 C LEU B 26 3.426 15.158 -0.664 1.00 32.51 C ATOM 1444 O LEU B 26 2.695 16.119 -0.430 1.00 64.43 O ATOM 1445 CB LEU B 26 2.822 12.768 -0.237 1.00 22.21 C ATOM 1446 CG LEU B 26 1.588 11.865 -0.264 1.00 44.12 C ATOM 1447 CD1 LEU B 26 1.839 10.594 0.530 1.00 2.54 C ATOM 1448 CD2 LEU B 26 0.375 12.606 0.280 1.00 53.34 C ATOM 0 H LEU B 26 3.949 12.489 -2.415 1.00 60.02 H new ATOM 0 HA LEU B 26 1.849 14.086 -1.627 1.00 73.11 H new ATOM 0 HB2 LEU B 26 3.706 12.144 -0.366 1.00 22.21 H new ATOM 0 HB3 LEU B 26 2.893 13.222 0.751 1.00 22.21 H new ATOM 0 HG LEU B 26 1.386 11.587 -1.299 1.00 44.12 H new ATOM 0 HD11 LEU B 26 0.950 9.964 0.499 1.00 2.54 H new ATOM 0 HD12 LEU B 26 2.681 10.054 0.096 1.00 2.54 H new ATOM 0 HD13 LEU B 26 2.066 10.850 1.565 1.00 2.54 H new ATOM 0 HD21 LEU B 26 -0.495 11.949 0.254 1.00 53.34 H new ATOM 0 HD22 LEU B 26 0.567 12.913 1.308 1.00 53.34 H new ATOM 0 HD23 LEU B 26 0.183 13.487 -0.332 1.00 53.34 H new ATOM 1460 N GLU B 27 4.730 15.157 -0.403 1.00 53.42 N ATOM 1461 CA GLU B 27 5.390 16.315 0.188 1.00 72.32 C ATOM 1462 C GLU B 27 5.913 17.255 -0.895 1.00 30.31 C ATOM 1463 O GLU B 27 6.689 18.168 -0.618 1.00 62.12 O ATOM 1464 CB GLU B 27 6.542 15.868 1.090 1.00 11.52 C ATOM 1465 CG GLU B 27 6.184 14.707 2.003 1.00 33.20 C ATOM 1466 CD GLU B 27 7.244 14.443 3.054 1.00 43.33 C ATOM 1467 OE1 GLU B 27 7.075 14.916 4.198 1.00 54.45 O ATOM 1468 OE2 GLU B 27 8.244 13.767 2.735 1.00 53.32 O ATOM 0 H GLU B 27 5.349 14.368 -0.591 1.00 53.42 H new ATOM 0 HA GLU B 27 4.656 16.852 0.788 1.00 72.32 H new ATOM 0 HB2 GLU B 27 7.390 15.582 0.468 1.00 11.52 H new ATOM 0 HB3 GLU B 27 6.864 16.712 1.699 1.00 11.52 H new ATOM 0 HG2 GLU B 27 5.234 14.916 2.495 1.00 33.20 H new ATOM 0 HG3 GLU B 27 6.041 13.808 1.403 1.00 33.20 H new ATOM 1476 N GLY B 28 5.481 17.022 -2.131 1.00 43.00 N ATOM 1477 CA GLY B 28 5.915 17.855 -3.237 1.00 25.43 C ATOM 1478 C GLY B 28 5.552 19.314 -3.043 1.00 33.34 C ATOM 1479 O GLY B 28 6.065 20.187 -3.741 1.00 70.21 O ATOM 0 H GLY B 28 4.839 16.272 -2.386 1.00 43.00 H new ATOM 0 HA2 GLY B 28 6.995 17.765 -3.353 1.00 25.43 H new ATOM 0 HA3 GLY B 28 5.464 17.491 -4.160 1.00 25.43 H new ATOM 1483 N GLY B 29 4.661 19.579 -2.093 1.00 10.44 N ATOM 1484 CA GLY B 29 4.242 20.942 -1.827 1.00 64.33 C ATOM 1485 C GLY B 29 2.741 21.066 -1.657 1.00 12.11 C ATOM 1486 O GLY B 29 2.116 21.960 -2.224 1.00 62.01 O ATOM 0 H GLY B 29 4.222 18.873 -1.502 1.00 10.44 H new ATOM 0 HA2 GLY B 29 4.737 21.301 -0.925 1.00 64.33 H new ATOM 0 HA3 GLY B 29 4.566 21.584 -2.646 1.00 64.33 H new ATOM 1490 N GLY B 30 2.160 20.162 -0.872 1.00 74.12 N ATOM 1491 CA GLY B 30 0.727 20.190 -0.644 1.00 62.43 C ATOM 1492 C GLY B 30 0.157 18.813 -0.369 1.00 24.12 C ATOM 1493 O GLY B 30 -0.269 18.114 -1.288 1.00 2.14 O ATOM 0 H GLY B 30 2.656 19.412 -0.391 1.00 74.12 H new ATOM 0 HA2 GLY B 30 0.509 20.845 0.199 1.00 62.43 H new ATOM 0 HA3 GLY B 30 0.232 20.617 -1.516 1.00 62.43 H new ATOM 1497 N GLY B 31 0.151 18.420 0.902 1.00 75.23 N ATOM 1498 CA GLY B 31 -0.372 17.118 1.273 1.00 72.43 C ATOM 1499 C GLY B 31 0.364 16.512 2.450 1.00 2.34 C ATOM 1500 O GLY B 31 0.644 15.315 2.467 1.00 13.41 O ATOM 0 H GLY B 31 0.499 18.980 1.680 1.00 75.23 H new ATOM 0 HA2 GLY B 31 -1.430 17.211 1.519 1.00 72.43 H new ATOM 0 HA3 GLY B 31 -0.302 16.445 0.419 1.00 72.43 H new ATOM 1504 N GLY B 32 0.680 17.342 3.440 1.00 42.43 N ATOM 1505 CA GLY B 32 1.386 16.864 4.614 1.00 21.54 C ATOM 1506 C GLY B 32 1.272 17.815 5.788 1.00 55.31 C ATOM 1507 O GLY B 32 0.740 18.917 5.654 1.00 21.03 O ATOM 0 H GLY B 32 0.459 18.338 3.449 1.00 42.43 H new ATOM 0 HA2 GLY B 32 0.990 15.890 4.900 1.00 21.54 H new ATOM 0 HA3 GLY B 32 2.438 16.721 4.368 1.00 21.54 H new ATOM 1511 N GLY B 33 1.769 17.388 6.945 1.00 74.34 N ATOM 1512 CA GLY B 33 1.707 18.221 8.131 1.00 10.24 C ATOM 1513 C GLY B 33 2.680 17.774 9.204 1.00 3.35 C ATOM 1514 O GLY B 33 2.305 17.612 10.364 1.00 4.42 O ATOM 0 H GLY B 33 2.213 16.480 7.082 1.00 74.34 H new ATOM 0 HA2 GLY B 33 1.922 19.254 7.857 1.00 10.24 H new ATOM 0 HA3 GLY B 33 0.694 18.202 8.532 1.00 10.24 H new ATOM 1518 N GLY B 34 3.936 17.573 8.816 1.00 64.31 N ATOM 1519 CA GLY B 34 4.946 17.143 9.765 1.00 20.25 C ATOM 1520 C GLY B 34 5.762 15.973 9.252 1.00 22.33 C ATOM 1521 O GLY B 34 6.192 15.964 8.098 1.00 1.42 O ATOM 0 H GLY B 34 4.272 17.700 7.861 1.00 64.31 H new ATOM 0 HA2 GLY B 34 5.612 17.977 9.986 1.00 20.25 H new ATOM 0 HA3 GLY B 34 4.464 16.863 10.702 1.00 20.25 H new ATOM 1525 N GLY B 35 5.979 14.981 10.112 1.00 72.34 N ATOM 1526 CA GLY B 35 6.749 13.816 9.721 1.00 33.34 C ATOM 1527 C GLY B 35 6.047 12.516 10.060 1.00 11.04 C ATOM 1528 O GLY B 35 5.681 11.750 9.169 1.00 20.41 O ATOM 0 H GLY B 35 5.635 14.965 11.072 1.00 72.34 H new ATOM 0 HA2 GLY B 35 6.939 13.853 8.648 1.00 33.34 H new ATOM 0 HA3 GLY B 35 7.719 13.842 10.218 1.00 33.34 H new ATOM 1532 N GLU B 36 5.862 12.265 11.352 1.00 42.22 N ATOM 1533 CA GLU B 36 5.202 11.047 11.806 1.00 53.55 C ATOM 1534 C GLU B 36 3.852 10.870 11.116 1.00 61.21 C ATOM 1535 O GLU B 36 3.441 9.750 10.808 1.00 64.30 O ATOM 1536 CB GLU B 36 5.009 11.080 13.324 1.00 34.23 C ATOM 1537 CG GLU B 36 4.140 9.951 13.852 1.00 71.24 C ATOM 1538 CD GLU B 36 4.354 9.691 15.330 1.00 64.23 C ATOM 1539 OE1 GLU B 36 4.437 8.507 15.718 1.00 60.22 O ATOM 1540 OE2 GLU B 36 4.441 10.671 16.099 1.00 53.02 O ATOM 0 H GLU B 36 6.160 12.889 12.102 1.00 42.22 H new ATOM 0 HA GLU B 36 5.838 10.201 11.545 1.00 53.55 H new ATOM 0 HB2 GLU B 36 5.985 11.032 13.807 1.00 34.23 H new ATOM 0 HB3 GLU B 36 4.561 12.033 13.604 1.00 34.23 H new ATOM 0 HG2 GLU B 36 3.092 10.193 13.678 1.00 71.24 H new ATOM 0 HG3 GLU B 36 4.354 9.041 13.292 1.00 71.24 H new ATOM 1548 N LEU B 37 3.167 11.982 10.876 1.00 63.54 N ATOM 1549 CA LEU B 37 1.863 11.952 10.221 1.00 52.34 C ATOM 1550 C LEU B 37 1.954 11.274 8.858 1.00 53.34 C ATOM 1551 O LEU B 37 1.147 10.404 8.532 1.00 75.33 O ATOM 1552 CB LEU B 37 1.316 13.372 10.063 1.00 34.35 C ATOM 1553 CG LEU B 37 -0.005 13.502 9.305 1.00 35.53 C ATOM 1554 CD1 LEU B 37 -1.183 13.340 10.252 1.00 50.43 C ATOM 1555 CD2 LEU B 37 -0.077 14.840 8.584 1.00 54.43 C ATOM 0 H LEU B 37 3.492 12.916 11.125 1.00 63.54 H new ATOM 0 HA LEU B 37 1.182 11.376 10.848 1.00 52.34 H new ATOM 0 HB2 LEU B 37 1.186 13.802 11.056 1.00 34.35 H new ATOM 0 HB3 LEU B 37 2.066 13.974 9.551 1.00 34.35 H new ATOM 0 HG LEU B 37 -0.053 12.708 8.560 1.00 35.53 H new ATOM 0 HD11 LEU B 37 -2.114 13.436 9.694 1.00 50.43 H new ATOM 0 HD12 LEU B 37 -1.140 12.357 10.721 1.00 50.43 H new ATOM 0 HD13 LEU B 37 -1.140 14.111 11.021 1.00 50.43 H new ATOM 0 HD21 LEU B 37 -1.024 14.915 8.050 1.00 54.43 H new ATOM 0 HD22 LEU B 37 -0.005 15.649 9.311 1.00 54.43 H new ATOM 0 HD23 LEU B 37 0.747 14.916 7.874 1.00 54.43 H new ATOM 1567 N MET B 38 2.942 11.678 8.067 1.00 51.31 N ATOM 1568 CA MET B 38 3.140 11.108 6.739 1.00 34.04 C ATOM 1569 C MET B 38 3.639 9.670 6.835 1.00 15.25 C ATOM 1570 O MET B 38 3.416 8.862 5.931 1.00 42.31 O ATOM 1571 CB MET B 38 4.134 11.952 5.941 1.00 22.33 C ATOM 1572 CG MET B 38 4.156 11.624 4.457 1.00 64.13 C ATOM 1573 SD MET B 38 3.138 12.748 3.482 1.00 43.25 S ATOM 1574 CE MET B 38 1.497 12.251 3.997 1.00 41.54 C ATOM 0 H MET B 38 3.618 12.398 8.322 1.00 51.31 H new ATOM 0 HA MET B 38 2.179 11.108 6.224 1.00 34.04 H new ATOM 0 HB2 MET B 38 3.887 13.006 6.068 1.00 22.33 H new ATOM 0 HB3 MET B 38 5.133 11.807 6.352 1.00 22.33 H new ATOM 0 HG2 MET B 38 5.183 11.664 4.095 1.00 64.13 H new ATOM 0 HG3 MET B 38 3.806 10.602 4.309 1.00 64.13 H new ATOM 0 HE1 MET B 38 0.830 12.249 3.135 1.00 41.54 H new ATOM 0 HE2 MET B 38 1.538 11.250 4.426 1.00 41.54 H new ATOM 0 HE3 MET B 38 1.122 12.951 4.744 1.00 41.54 H new ATOM 1584 N LYS B 39 4.314 9.354 7.935 1.00 53.32 N ATOM 1585 CA LYS B 39 4.844 8.012 8.149 1.00 44.51 C ATOM 1586 C LYS B 39 3.745 6.964 8.006 1.00 0.03 C ATOM 1587 O LYS B 39 4.011 5.817 7.645 1.00 72.53 O ATOM 1588 CB LYS B 39 5.482 7.910 9.536 1.00 21.02 C ATOM 1589 CG LYS B 39 6.839 7.228 9.532 1.00 4.04 C ATOM 1590 CD LYS B 39 7.529 7.349 10.880 1.00 4.33 C ATOM 1591 CE LYS B 39 9.040 7.446 10.729 1.00 54.11 C ATOM 1592 NZ LYS B 39 9.489 8.851 10.533 1.00 64.04 N ATOM 0 H LYS B 39 4.507 10.009 8.693 1.00 53.32 H new ATOM 0 HA LYS B 39 5.604 7.823 7.390 1.00 44.51 H new ATOM 0 HB2 LYS B 39 5.589 8.912 9.952 1.00 21.02 H new ATOM 0 HB3 LYS B 39 4.811 7.361 10.196 1.00 21.02 H new ATOM 0 HG2 LYS B 39 6.717 6.175 9.278 1.00 4.04 H new ATOM 0 HG3 LYS B 39 7.468 7.671 8.760 1.00 4.04 H new ATOM 0 HD2 LYS B 39 7.158 8.231 11.402 1.00 4.33 H new ATOM 0 HD3 LYS B 39 7.279 6.485 11.496 1.00 4.33 H new ATOM 0 HE2 LYS B 39 9.521 7.032 11.615 1.00 54.11 H new ATOM 0 HE3 LYS B 39 9.360 6.841 9.881 1.00 54.11 H new ATOM 0 HZ1 LYS B 39 10.524 8.874 10.434 1.00 64.04 H new ATOM 0 HZ2 LYS B 39 9.050 9.239 9.673 1.00 64.04 H new ATOM 0 HZ3 LYS B 39 9.207 9.423 11.354 1.00 64.04 H new ATOM 1606 N LEU B 40 2.511 7.365 8.288 1.00 43.41 N ATOM 1607 CA LEU B 40 1.370 6.460 8.189 1.00 20.00 C ATOM 1608 C LEU B 40 1.305 5.816 6.808 1.00 21.12 C ATOM 1609 O LEU B 40 1.391 4.594 6.678 1.00 43.24 O ATOM 1610 CB LEU B 40 0.070 7.214 8.475 1.00 54.11 C ATOM 1611 CG LEU B 40 -0.652 6.839 9.770 1.00 52.22 C ATOM 1612 CD1 LEU B 40 -1.873 7.722 9.974 1.00 41.51 C ATOM 1613 CD2 LEU B 40 -1.050 5.370 9.754 1.00 65.51 C ATOM 0 H LEU B 40 2.274 8.311 8.587 1.00 43.41 H new ATOM 0 HA LEU B 40 1.496 5.672 8.931 1.00 20.00 H new ATOM 0 HB2 LEU B 40 0.291 8.281 8.501 1.00 54.11 H new ATOM 0 HB3 LEU B 40 -0.613 7.050 7.641 1.00 54.11 H new ATOM 0 HG LEU B 40 0.031 7.000 10.604 1.00 52.22 H new ATOM 0 HD11 LEU B 40 -2.374 7.441 10.900 1.00 41.51 H new ATOM 0 HD12 LEU B 40 -1.562 8.765 10.032 1.00 41.51 H new ATOM 0 HD13 LEU B 40 -2.559 7.594 9.137 1.00 41.51 H new ATOM 0 HD21 LEU B 40 -1.562 5.122 10.683 1.00 65.51 H new ATOM 0 HD22 LEU B 40 -1.716 5.183 8.911 1.00 65.51 H new ATOM 0 HD23 LEU B 40 -0.157 4.752 9.656 1.00 65.51 H new ATOM 1625 N CYS B 41 1.157 6.645 5.781 1.00 54.24 N ATOM 1626 CA CYS B 41 1.081 6.156 4.409 1.00 41.21 C ATOM 1627 C CYS B 41 2.434 5.623 3.947 1.00 23.21 C ATOM 1628 O CYS B 41 2.505 4.737 3.097 1.00 52.33 O ATOM 1629 CB CYS B 41 0.612 7.270 3.473 1.00 25.31 C ATOM 1630 SG CYS B 41 1.781 8.640 3.313 1.00 61.43 S ATOM 0 H CYS B 41 1.087 7.659 5.872 1.00 54.24 H new ATOM 0 HA CYS B 41 0.359 5.340 4.380 1.00 41.21 H new ATOM 0 HB2 CYS B 41 0.427 6.847 2.486 1.00 25.31 H new ATOM 0 HB3 CYS B 41 -0.339 7.659 3.836 1.00 25.31 H new ATOM 0 HG CYS B 41 2.475 8.748 4.407 1.00 61.43 H new ATOM 1636 N GLU B 42 3.505 6.171 4.513 1.00 42.24 N ATOM 1637 CA GLU B 42 4.855 5.753 4.156 1.00 3.35 C ATOM 1638 C GLU B 42 5.063 4.271 4.458 1.00 52.14 C ATOM 1639 O GLU B 42 5.901 3.614 3.841 1.00 51.44 O ATOM 1640 CB GLU B 42 5.889 6.588 4.914 1.00 60.22 C ATOM 1641 CG GLU B 42 7.291 6.493 4.335 1.00 1.31 C ATOM 1642 CD GLU B 42 8.300 7.317 5.113 1.00 55.12 C ATOM 1643 OE1 GLU B 42 8.931 6.763 6.037 1.00 54.32 O ATOM 1644 OE2 GLU B 42 8.458 8.514 4.796 1.00 12.41 O ATOM 0 H GLU B 42 3.464 6.905 5.220 1.00 42.24 H new ATOM 0 HA GLU B 42 4.985 5.911 3.085 1.00 3.35 H new ATOM 0 HB2 GLU B 42 5.574 7.631 4.911 1.00 60.22 H new ATOM 0 HB3 GLU B 42 5.912 6.265 5.955 1.00 60.22 H new ATOM 0 HG2 GLU B 42 7.607 5.450 4.328 1.00 1.31 H new ATOM 0 HG3 GLU B 42 7.276 6.829 3.298 1.00 1.31 H new ATOM 1652 N GLU B 43 4.294 3.753 5.410 1.00 42.34 N ATOM 1653 CA GLU B 43 4.394 2.351 5.795 1.00 32.32 C ATOM 1654 C GLU B 43 4.218 1.441 4.582 1.00 4.24 C ATOM 1655 O GLU B 43 4.713 0.315 4.562 1.00 30.35 O ATOM 1656 CB GLU B 43 3.345 2.013 6.856 1.00 5.14 C ATOM 1657 CG GLU B 43 3.500 2.811 8.141 1.00 34.40 C ATOM 1658 CD GLU B 43 3.888 1.944 9.322 1.00 4.12 C ATOM 1659 OE1 GLU B 43 3.062 1.105 9.738 1.00 44.32 O ATOM 1660 OE2 GLU B 43 5.017 2.105 9.831 1.00 62.43 O ATOM 0 H GLU B 43 3.595 4.284 5.929 1.00 42.34 H new ATOM 0 HA GLU B 43 5.387 2.185 6.212 1.00 32.32 H new ATOM 0 HB2 GLU B 43 2.352 2.193 6.444 1.00 5.14 H new ATOM 0 HB3 GLU B 43 3.405 0.950 7.089 1.00 5.14 H new ATOM 0 HG2 GLU B 43 4.257 3.582 7.997 1.00 34.40 H new ATOM 0 HG3 GLU B 43 2.563 3.322 8.362 1.00 34.40 H new ATOM 1668 N ALA B 44 3.509 1.938 3.575 1.00 72.13 N ATOM 1669 CA ALA B 44 3.268 1.172 2.359 1.00 74.53 C ATOM 1670 C ALA B 44 4.573 0.631 1.783 1.00 52.34 C ATOM 1671 O ALA B 44 4.668 -0.544 1.434 1.00 73.42 O ATOM 1672 CB ALA B 44 2.548 2.030 1.328 1.00 21.14 C ATOM 0 H ALA B 44 3.091 2.868 3.577 1.00 72.13 H new ATOM 0 HA ALA B 44 2.634 0.322 2.614 1.00 74.53 H new ATOM 0 HB1 ALA B 44 2.375 1.445 0.425 1.00 21.14 H new ATOM 0 HB2 ALA B 44 1.593 2.362 1.734 1.00 21.14 H new ATOM 0 HB3 ALA B 44 3.161 2.898 1.086 1.00 21.14 H new ATOM 1678 N ALA B 45 5.575 1.499 1.686 1.00 11.25 N ATOM 1679 CA ALA B 45 6.874 1.107 1.154 1.00 62.21 C ATOM 1680 C ALA B 45 7.624 0.213 2.137 1.00 44.14 C ATOM 1681 O ALA B 45 8.509 -0.549 1.748 1.00 64.10 O ATOM 1682 CB ALA B 45 7.701 2.340 0.823 1.00 23.53 C ATOM 0 H ALA B 45 5.512 2.477 1.969 1.00 11.25 H new ATOM 0 HA ALA B 45 6.708 0.537 0.240 1.00 62.21 H new ATOM 0 HB1 ALA B 45 8.669 2.033 0.427 1.00 23.53 H new ATOM 0 HB2 ALA B 45 7.178 2.940 0.079 1.00 23.53 H new ATOM 0 HB3 ALA B 45 7.850 2.931 1.726 1.00 23.53 H new ATOM 1688 N LYS B 46 7.264 0.311 3.412 1.00 64.25 N ATOM 1689 CA LYS B 46 7.900 -0.488 4.451 1.00 20.35 C ATOM 1690 C LYS B 46 7.391 -1.925 4.421 1.00 34.00 C ATOM 1691 O LYS B 46 8.176 -2.873 4.365 1.00 63.03 O ATOM 1692 CB LYS B 46 7.641 0.128 5.828 1.00 33.15 C ATOM 1693 CG LYS B 46 8.895 0.652 6.506 1.00 14.13 C ATOM 1694 CD LYS B 46 8.793 2.140 6.793 1.00 2.52 C ATOM 1695 CE LYS B 46 10.054 2.667 7.460 1.00 4.12 C ATOM 1696 NZ LYS B 46 10.186 2.180 8.862 1.00 61.43 N ATOM 0 H LYS B 46 6.534 0.937 3.751 1.00 64.25 H new ATOM 0 HA LYS B 46 8.973 -0.498 4.260 1.00 20.35 H new ATOM 0 HB2 LYS B 46 6.927 0.945 5.723 1.00 33.15 H new ATOM 0 HB3 LYS B 46 7.177 -0.621 6.470 1.00 33.15 H new ATOM 0 HG2 LYS B 46 9.059 0.111 7.438 1.00 14.13 H new ATOM 0 HG3 LYS B 46 9.760 0.461 5.871 1.00 14.13 H new ATOM 0 HD2 LYS B 46 8.620 2.680 5.862 1.00 2.52 H new ATOM 0 HD3 LYS B 46 7.934 2.329 7.436 1.00 2.52 H new ATOM 0 HE2 LYS B 46 10.926 2.357 6.884 1.00 4.12 H new ATOM 0 HE3 LYS B 46 10.039 3.757 7.454 1.00 4.12 H new ATOM 0 HZ1 LYS B 46 11.021 2.615 9.303 1.00 61.43 H new ATOM 0 HZ2 LYS B 46 9.335 2.439 9.401 1.00 61.43 H new ATOM 0 HZ3 LYS B 46 10.294 1.146 8.861 1.00 61.43 H new ATOM 1710 N LYS B 47 6.073 -2.082 4.457 1.00 53.12 N ATOM 1711 CA LYS B 47 5.457 -3.403 4.431 1.00 71.10 C ATOM 1712 C LYS B 47 5.660 -4.071 3.074 1.00 10.33 C ATOM 1713 O LYS B 47 6.068 -5.230 2.997 1.00 61.02 O ATOM 1714 CB LYS B 47 3.962 -3.298 4.741 1.00 74.12 C ATOM 1715 CG LYS B 47 3.647 -3.312 6.227 1.00 54.13 C ATOM 1716 CD LYS B 47 3.304 -1.922 6.736 1.00 43.51 C ATOM 1717 CE LYS B 47 4.174 -1.532 7.921 1.00 21.33 C ATOM 1718 NZ LYS B 47 4.166 -2.576 8.983 1.00 74.40 N ATOM 0 H LYS B 47 5.409 -1.309 4.504 1.00 53.12 H new ATOM 0 HA LYS B 47 5.938 -4.016 5.194 1.00 71.10 H new ATOM 0 HB2 LYS B 47 3.573 -2.378 4.304 1.00 74.12 H new ATOM 0 HB3 LYS B 47 3.441 -4.125 4.260 1.00 74.12 H new ATOM 0 HG2 LYS B 47 2.812 -3.987 6.417 1.00 54.13 H new ATOM 0 HG3 LYS B 47 4.503 -3.702 6.778 1.00 54.13 H new ATOM 0 HD2 LYS B 47 3.435 -1.197 5.933 1.00 43.51 H new ATOM 0 HD3 LYS B 47 2.254 -1.889 7.027 1.00 43.51 H new ATOM 0 HE2 LYS B 47 5.197 -1.367 7.582 1.00 21.33 H new ATOM 0 HE3 LYS B 47 3.820 -0.589 8.337 1.00 21.33 H new ATOM 0 HZ1 LYS B 47 4.253 -2.123 9.915 1.00 74.40 H new ATOM 0 HZ2 LYS B 47 3.274 -3.109 8.939 1.00 74.40 H new ATOM 0 HZ3 LYS B 47 4.965 -3.225 8.837 1.00 74.40 H new ATOM 1732 N ALA B 48 5.373 -3.332 2.008 1.00 34.32 N ATOM 1733 CA ALA B 48 5.527 -3.853 0.654 1.00 43.21 C ATOM 1734 C ALA B 48 6.920 -4.440 0.448 1.00 52.32 C ATOM 1735 O ALA B 48 7.065 -5.538 -0.090 1.00 65.32 O ATOM 1736 CB ALA B 48 5.258 -2.757 -0.366 1.00 21.25 C ATOM 0 H ALA B 48 5.033 -2.372 2.055 1.00 34.32 H new ATOM 0 HA ALA B 48 4.799 -4.652 0.513 1.00 43.21 H new ATOM 0 HB1 ALA B 48 5.376 -3.159 -1.372 1.00 21.25 H new ATOM 0 HB2 ALA B 48 4.241 -2.385 -0.241 1.00 21.25 H new ATOM 0 HB3 ALA B 48 5.964 -1.940 -0.217 1.00 21.25 H new ATOM 1742 N GLU B 49 7.938 -3.702 0.878 1.00 52.01 N ATOM 1743 CA GLU B 49 9.318 -4.151 0.737 1.00 3.34 C ATOM 1744 C GLU B 49 9.657 -5.204 1.789 1.00 34.13 C ATOM 1745 O GLU B 49 10.481 -6.087 1.554 1.00 31.12 O ATOM 1746 CB GLU B 49 10.278 -2.966 0.860 1.00 62.53 C ATOM 1747 CG GLU B 49 11.639 -3.217 0.231 1.00 52.01 C ATOM 1748 CD GLU B 49 12.455 -1.949 0.080 1.00 4.41 C ATOM 1749 OE1 GLU B 49 13.616 -2.042 -0.371 1.00 44.45 O ATOM 1750 OE2 GLU B 49 11.934 -0.864 0.413 1.00 42.31 O ATOM 0 H GLU B 49 7.834 -2.792 1.326 1.00 52.01 H new ATOM 0 HA GLU B 49 9.429 -4.599 -0.251 1.00 3.34 H new ATOM 0 HB2 GLU B 49 9.826 -2.093 0.390 1.00 62.53 H new ATOM 0 HB3 GLU B 49 10.413 -2.727 1.915 1.00 62.53 H new ATOM 0 HG2 GLU B 49 12.192 -3.930 0.843 1.00 52.01 H new ATOM 0 HG3 GLU B 49 11.503 -3.676 -0.748 1.00 52.01 H new ATOM 1758 N GLU B 50 9.016 -5.103 2.949 1.00 42.44 N ATOM 1759 CA GLU B 50 9.250 -6.045 4.037 1.00 21.41 C ATOM 1760 C GLU B 50 8.800 -7.450 3.646 1.00 40.12 C ATOM 1761 O GLU B 50 9.554 -8.414 3.779 1.00 15.34 O ATOM 1762 CB GLU B 50 8.513 -5.594 5.300 1.00 71.52 C ATOM 1763 CG GLU B 50 9.365 -4.747 6.231 1.00 55.41 C ATOM 1764 CD GLU B 50 10.018 -5.565 7.328 1.00 15.43 C ATOM 1765 OE1 GLU B 50 10.957 -6.328 7.020 1.00 35.11 O ATOM 1766 OE2 GLU B 50 9.590 -5.443 8.495 1.00 44.21 O ATOM 0 H GLU B 50 8.330 -4.378 3.160 1.00 42.44 H new ATOM 0 HA GLU B 50 10.321 -6.068 4.239 1.00 21.41 H new ATOM 0 HB2 GLU B 50 7.629 -5.025 5.011 1.00 71.52 H new ATOM 0 HB3 GLU B 50 8.163 -6.474 5.840 1.00 71.52 H new ATOM 0 HG2 GLU B 50 10.137 -4.241 5.651 1.00 55.41 H new ATOM 0 HG3 GLU B 50 8.745 -3.972 6.681 1.00 55.41 H new ATOM 1774 N LEU B 51 7.567 -7.557 3.164 1.00 61.13 N ATOM 1775 CA LEU B 51 7.015 -8.843 2.753 1.00 72.31 C ATOM 1776 C LEU B 51 7.665 -9.327 1.461 1.00 15.52 C ATOM 1777 O LEU B 51 7.959 -10.513 1.308 1.00 14.55 O ATOM 1778 CB LEU B 51 5.501 -8.734 2.566 1.00 50.20 C ATOM 1779 CG LEU B 51 5.029 -7.816 1.437 1.00 52.11 C ATOM 1780 CD1 LEU B 51 4.807 -8.612 0.160 1.00 61.11 C ATOM 1781 CD2 LEU B 51 3.755 -7.087 1.839 1.00 4.24 C ATOM 0 H LEU B 51 6.930 -6.769 3.048 1.00 61.13 H new ATOM 0 HA LEU B 51 7.227 -9.569 3.538 1.00 72.31 H new ATOM 0 HB2 LEU B 51 5.104 -9.733 2.385 1.00 50.20 H new ATOM 0 HB3 LEU B 51 5.064 -8.382 3.500 1.00 50.20 H new ATOM 0 HG LEU B 51 5.805 -7.074 1.250 1.00 52.11 H new ATOM 0 HD11 LEU B 51 4.471 -7.943 -0.632 1.00 61.11 H new ATOM 0 HD12 LEU B 51 5.741 -9.089 -0.139 1.00 61.11 H new ATOM 0 HD13 LEU B 51 4.049 -9.376 0.335 1.00 61.11 H new ATOM 0 HD21 LEU B 51 3.434 -6.439 1.024 1.00 4.24 H new ATOM 0 HD22 LEU B 51 2.972 -7.814 2.054 1.00 4.24 H new ATOM 0 HD23 LEU B 51 3.945 -6.485 2.728 1.00 4.24 H new ATOM 1793 N PHE B 52 7.889 -8.403 0.534 1.00 43.34 N ATOM 1794 CA PHE B 52 8.506 -8.735 -0.744 1.00 70.25 C ATOM 1795 C PHE B 52 9.971 -9.116 -0.558 1.00 61.32 C ATOM 1796 O PHE B 52 10.549 -9.825 -1.382 1.00 32.51 O ATOM 1797 CB PHE B 52 8.393 -7.554 -1.711 1.00 71.33 C ATOM 1798 CG PHE B 52 9.199 -7.729 -2.967 1.00 44.34 C ATOM 1799 CD1 PHE B 52 8.963 -8.800 -3.813 1.00 21.43 C ATOM 1800 CD2 PHE B 52 10.191 -6.821 -3.300 1.00 60.11 C ATOM 1801 CE1 PHE B 52 9.703 -8.963 -4.970 1.00 1.02 C ATOM 1802 CE2 PHE B 52 10.934 -6.979 -4.455 1.00 62.21 C ATOM 1803 CZ PHE B 52 10.691 -8.052 -5.291 1.00 51.30 C ATOM 0 H PHE B 52 7.652 -7.417 0.644 1.00 43.34 H new ATOM 0 HA PHE B 52 7.977 -9.591 -1.163 1.00 70.25 H new ATOM 0 HB2 PHE B 52 7.346 -7.412 -1.978 1.00 71.33 H new ATOM 0 HB3 PHE B 52 8.719 -6.646 -1.203 1.00 71.33 H new ATOM 0 HD1 PHE B 52 8.193 -9.516 -3.566 1.00 21.43 H new ATOM 0 HD2 PHE B 52 10.386 -5.981 -2.650 1.00 60.11 H new ATOM 0 HE1 PHE B 52 9.509 -9.802 -5.622 1.00 1.02 H new ATOM 0 HE2 PHE B 52 11.704 -6.264 -4.704 1.00 62.21 H new ATOM 0 HZ PHE B 52 11.272 -8.178 -6.193 1.00 51.30 H new ATOM 1813 N LYS B 53 10.566 -8.640 0.529 1.00 25.54 N ATOM 1814 CA LYS B 53 11.964 -8.931 0.826 1.00 44.41 C ATOM 1815 C LYS B 53 12.180 -10.428 1.018 1.00 12.33 C ATOM 1816 O LYS B 53 12.995 -11.043 0.329 1.00 65.35 O ATOM 1817 CB LYS B 53 12.408 -8.175 2.081 1.00 21.33 C ATOM 1818 CG LYS B 53 13.728 -8.665 2.651 1.00 71.14 C ATOM 1819 CD LYS B 53 13.513 -9.623 3.811 1.00 4.23 C ATOM 1820 CE LYS B 53 14.316 -10.902 3.634 1.00 35.45 C ATOM 1821 NZ LYS B 53 15.783 -10.642 3.638 1.00 41.14 N ATOM 0 H LYS B 53 10.102 -8.050 1.220 1.00 25.54 H new ATOM 0 HA LYS B 53 12.565 -8.602 -0.021 1.00 44.41 H new ATOM 0 HB2 LYS B 53 12.495 -7.115 1.844 1.00 21.33 H new ATOM 0 HB3 LYS B 53 11.635 -8.269 2.844 1.00 21.33 H new ATOM 0 HG2 LYS B 53 14.301 -9.162 1.868 1.00 71.14 H new ATOM 0 HG3 LYS B 53 14.319 -7.813 2.986 1.00 71.14 H new ATOM 0 HD2 LYS B 53 13.801 -9.137 4.743 1.00 4.23 H new ATOM 0 HD3 LYS B 53 12.453 -9.866 3.892 1.00 4.23 H new ATOM 0 HE2 LYS B 53 14.069 -11.600 4.434 1.00 35.45 H new ATOM 0 HE3 LYS B 53 14.035 -11.380 2.696 1.00 35.45 H new ATOM 0 HZ1 LYS B 53 16.296 -11.546 3.600 1.00 41.14 H new ATOM 0 HZ2 LYS B 53 16.036 -10.066 2.810 1.00 41.14 H new ATOM 0 HZ3 LYS B 53 16.043 -10.133 4.507 1.00 41.14 H new ATOM 1835 N LEU B 54 11.445 -11.011 1.959 1.00 74.14 N ATOM 1836 CA LEU B 54 11.554 -12.438 2.241 1.00 54.15 C ATOM 1837 C LEU B 54 10.867 -13.262 1.156 1.00 32.20 C ATOM 1838 O LEU B 54 11.193 -14.430 0.950 1.00 33.33 O ATOM 1839 CB LEU B 54 10.939 -12.757 3.604 1.00 0.34 C ATOM 1840 CG LEU B 54 11.901 -13.296 4.664 1.00 21.01 C ATOM 1841 CD1 LEU B 54 11.795 -12.482 5.944 1.00 30.23 C ATOM 1842 CD2 LEU B 54 11.621 -14.766 4.940 1.00 23.34 C ATOM 0 H LEU B 54 10.767 -10.517 2.540 1.00 74.14 H new ATOM 0 HA LEU B 54 12.612 -12.700 2.256 1.00 54.15 H new ATOM 0 HB2 LEU B 54 10.474 -11.851 3.991 1.00 0.34 H new ATOM 0 HB3 LEU B 54 10.143 -13.487 3.459 1.00 0.34 H new ATOM 0 HG LEU B 54 12.918 -13.206 4.283 1.00 21.01 H new ATOM 0 HD11 LEU B 54 12.487 -12.880 6.687 1.00 30.23 H new ATOM 0 HD12 LEU B 54 12.046 -11.442 5.736 1.00 30.23 H new ATOM 0 HD13 LEU B 54 10.777 -12.540 6.329 1.00 30.23 H new ATOM 0 HD21 LEU B 54 12.315 -15.133 5.697 1.00 23.34 H new ATOM 0 HD22 LEU B 54 10.598 -14.880 5.300 1.00 23.34 H new ATOM 0 HD23 LEU B 54 11.749 -15.339 4.022 1.00 23.34 H new ATOM 1854 N ALA B 55 9.917 -12.643 0.463 1.00 12.11 N ATOM 1855 CA ALA B 55 9.187 -13.318 -0.604 1.00 63.35 C ATOM 1856 C ALA B 55 10.138 -13.834 -1.678 1.00 20.44 C ATOM 1857 O ALA B 55 9.924 -14.903 -2.249 1.00 52.14 O ATOM 1858 CB ALA B 55 8.158 -12.378 -1.215 1.00 32.33 C ATOM 0 H ALA B 55 9.635 -11.676 0.621 1.00 12.11 H new ATOM 0 HA ALA B 55 8.670 -14.175 -0.172 1.00 63.35 H new ATOM 0 HB1 ALA B 55 7.620 -12.894 -2.010 1.00 32.33 H new ATOM 0 HB2 ALA B 55 7.453 -12.061 -0.446 1.00 32.33 H new ATOM 0 HB3 ALA B 55 8.663 -11.504 -1.627 1.00 32.33 H new ATOM 1864 N GLU B 56 11.191 -13.067 -1.949 1.00 52.52 N ATOM 1865 CA GLU B 56 12.173 -13.447 -2.956 1.00 35.21 C ATOM 1866 C GLU B 56 12.702 -14.856 -2.697 1.00 62.01 C ATOM 1867 O GLU B 56 13.019 -15.592 -3.630 1.00 40.34 O ATOM 1868 CB GLU B 56 13.333 -12.450 -2.972 1.00 1.13 C ATOM 1869 CG GLU B 56 12.889 -10.998 -2.914 1.00 54.34 C ATOM 1870 CD GLU B 56 13.991 -10.034 -3.305 1.00 11.25 C ATOM 1871 OE1 GLU B 56 14.270 -9.912 -4.516 1.00 70.13 O ATOM 1872 OE2 GLU B 56 14.576 -9.402 -2.400 1.00 75.21 O ATOM 0 H GLU B 56 11.384 -12.180 -1.485 1.00 52.52 H new ATOM 0 HA GLU B 56 11.680 -13.436 -3.928 1.00 35.21 H new ATOM 0 HB2 GLU B 56 13.989 -12.655 -2.126 1.00 1.13 H new ATOM 0 HB3 GLU B 56 13.922 -12.605 -3.876 1.00 1.13 H new ATOM 0 HG2 GLU B 56 12.036 -10.856 -3.577 1.00 54.34 H new ATOM 0 HG3 GLU B 56 12.550 -10.766 -1.904 1.00 54.34 H new ATOM 1880 N GLU B 57 12.794 -15.220 -1.422 1.00 31.15 N ATOM 1881 CA GLU B 57 13.286 -16.538 -1.039 1.00 34.54 C ATOM 1882 C GLU B 57 12.402 -17.638 -1.619 1.00 20.11 C ATOM 1883 O GLU B 57 12.893 -18.582 -2.238 1.00 75.43 O ATOM 1884 CB GLU B 57 13.342 -16.664 0.485 1.00 71.41 C ATOM 1885 CG GLU B 57 14.013 -17.939 0.967 1.00 2.10 C ATOM 1886 CD GLU B 57 13.063 -18.849 1.722 1.00 3.21 C ATOM 1887 OE1 GLU B 57 12.481 -18.392 2.729 1.00 55.31 O ATOM 1888 OE2 GLU B 57 12.902 -20.015 1.309 1.00 2.11 O ATOM 0 H GLU B 57 12.535 -14.622 -0.638 1.00 31.15 H new ATOM 0 HA GLU B 57 14.292 -16.653 -1.443 1.00 34.54 H new ATOM 0 HB2 GLU B 57 13.877 -15.806 0.892 1.00 71.41 H new ATOM 0 HB3 GLU B 57 12.327 -16.625 0.882 1.00 71.41 H new ATOM 0 HG2 GLU B 57 14.421 -18.476 0.111 1.00 2.10 H new ATOM 0 HG3 GLU B 57 14.853 -17.682 1.612 1.00 2.10 H new ATOM 1896 N ARG B 58 11.095 -17.510 -1.412 1.00 42.20 N ATOM 1897 CA ARG B 58 10.142 -18.493 -1.911 1.00 71.45 C ATOM 1898 C ARG B 58 9.887 -18.293 -3.403 1.00 51.22 C ATOM 1899 O ARG B 58 9.466 -19.217 -4.100 1.00 74.40 O ATOM 1900 CB ARG B 58 8.824 -18.396 -1.140 1.00 64.15 C ATOM 1901 CG ARG B 58 9.007 -18.273 0.364 1.00 2.11 C ATOM 1902 CD ARG B 58 8.576 -16.904 0.867 1.00 24.04 C ATOM 1903 NE ARG B 58 7.197 -16.595 0.500 1.00 13.21 N ATOM 1904 CZ ARG B 58 6.141 -17.188 1.046 1.00 12.25 C ATOM 1905 NH1 ARG B 58 6.306 -18.116 1.980 1.00 72.11 N ATOM 1906 NH2 ARG B 58 4.916 -16.853 0.660 1.00 45.40 N ATOM 0 H ARG B 58 10.672 -16.734 -0.902 1.00 42.20 H new ATOM 0 HA ARG B 58 10.569 -19.485 -1.762 1.00 71.45 H new ATOM 0 HB2 ARG B 58 8.264 -17.534 -1.501 1.00 64.15 H new ATOM 0 HB3 ARG B 58 8.222 -19.279 -1.353 1.00 64.15 H new ATOM 0 HG2 ARG B 58 8.426 -19.046 0.867 1.00 2.11 H new ATOM 0 HG3 ARG B 58 10.053 -18.443 0.620 1.00 2.11 H new ATOM 0 HD2 ARG B 58 8.679 -16.867 1.951 1.00 24.04 H new ATOM 0 HD3 ARG B 58 9.239 -16.142 0.458 1.00 24.04 H new ATOM 0 HE ARG B 58 7.036 -15.885 -0.215 1.00 13.21 H new ATOM 0 HH11 ARG B 58 7.245 -18.376 2.281 1.00 72.11 H new ATOM 0 HH12 ARG B 58 5.493 -18.570 2.397 1.00 72.11 H new ATOM 0 HH21 ARG B 58 4.784 -16.139 -0.057 1.00 45.40 H new ATOM 0 HH22 ARG B 58 4.106 -17.309 1.080 1.00 45.40 H new ATOM 1920 N LEU B 59 10.143 -17.082 -3.885 1.00 2.02 N ATOM 1921 CA LEU B 59 9.941 -16.761 -5.293 1.00 41.30 C ATOM 1922 C LEU B 59 11.141 -17.195 -6.128 1.00 34.42 C ATOM 1923 O LEU B 59 11.094 -18.211 -6.822 1.00 63.12 O ATOM 1924 CB LEU B 59 9.703 -15.260 -5.464 1.00 43.03 C ATOM 1925 CG LEU B 59 8.426 -14.706 -4.829 1.00 23.15 C ATOM 1926 CD1 LEU B 59 8.526 -13.197 -4.660 1.00 55.23 C ATOM 1927 CD2 LEU B 59 7.211 -15.071 -5.668 1.00 13.24 C ATOM 0 H LEU B 59 10.491 -16.306 -3.321 1.00 2.02 H new ATOM 0 HA LEU B 59 9.063 -17.305 -5.642 1.00 41.30 H new ATOM 0 HB2 LEU B 59 10.555 -14.727 -5.043 1.00 43.03 H new ATOM 0 HB3 LEU B 59 9.682 -15.035 -6.530 1.00 43.03 H new ATOM 0 HG LEU B 59 8.309 -15.155 -3.843 1.00 23.15 H new ATOM 0 HD11 LEU B 59 7.609 -12.820 -4.207 1.00 55.23 H new ATOM 0 HD12 LEU B 59 9.373 -12.958 -4.017 1.00 55.23 H new ATOM 0 HD13 LEU B 59 8.668 -12.730 -5.635 1.00 55.23 H new ATOM 0 HD21 LEU B 59 6.312 -14.669 -5.201 1.00 13.24 H new ATOM 0 HD22 LEU B 59 7.320 -14.651 -6.668 1.00 13.24 H new ATOM 0 HD23 LEU B 59 7.129 -16.156 -5.737 1.00 13.24 H new ATOM 1939 N LYS B 60 12.218 -16.420 -6.056 1.00 71.35 N ATOM 1940 CA LYS B 60 13.432 -16.725 -6.802 1.00 21.43 C ATOM 1941 C LYS B 60 14.489 -17.344 -5.893 1.00 34.14 C ATOM 1942 O LYS B 60 14.237 -17.598 -4.715 1.00 13.05 O ATOM 1943 CB LYS B 60 13.987 -15.457 -7.455 1.00 43.50 C ATOM 1944 CG LYS B 60 14.085 -14.276 -6.504 1.00 42.10 C ATOM 1945 CD LYS B 60 13.151 -13.150 -6.914 1.00 13.12 C ATOM 1946 CE LYS B 60 13.565 -12.537 -8.242 1.00 32.35 C ATOM 1947 NZ LYS B 60 12.562 -11.555 -8.738 1.00 14.32 N ATOM 0 H LYS B 60 12.274 -15.575 -5.488 1.00 71.35 H new ATOM 0 HA LYS B 60 13.178 -17.446 -7.579 1.00 21.43 H new ATOM 0 HB2 LYS B 60 14.976 -15.670 -7.860 1.00 43.50 H new ATOM 0 HB3 LYS B 60 13.351 -15.183 -8.297 1.00 43.50 H new ATOM 0 HG2 LYS B 60 13.842 -14.601 -5.492 1.00 42.10 H new ATOM 0 HG3 LYS B 60 15.111 -13.909 -6.483 1.00 42.10 H new ATOM 0 HD2 LYS B 60 12.132 -13.530 -6.990 1.00 13.12 H new ATOM 0 HD3 LYS B 60 13.147 -12.380 -6.142 1.00 13.12 H new ATOM 0 HE2 LYS B 60 14.530 -12.044 -8.129 1.00 32.35 H new ATOM 0 HE3 LYS B 60 13.696 -13.327 -8.981 1.00 32.35 H new ATOM 0 HZ1 LYS B 60 12.882 -11.160 -9.645 1.00 14.32 H new ATOM 0 HZ2 LYS B 60 11.647 -12.031 -8.871 1.00 14.32 H new ATOM 0 HZ3 LYS B 60 12.456 -10.787 -8.045 1.00 14.32 H new ATOM 1961 N LYS B 61 15.673 -17.585 -6.446 1.00 53.35 N ATOM 1962 CA LYS B 61 16.768 -18.173 -5.685 1.00 64.32 C ATOM 1963 C LYS B 61 17.779 -17.106 -5.274 1.00 70.35 C ATOM 1964 O LYS B 61 18.475 -17.251 -4.269 1.00 45.13 O ATOM 1965 CB LYS B 61 17.464 -19.258 -6.508 1.00 33.32 C ATOM 1966 CG LYS B 61 18.169 -20.306 -5.663 1.00 50.01 C ATOM 1967 CD LYS B 61 19.229 -21.045 -6.461 1.00 13.14 C ATOM 1968 CE LYS B 61 20.586 -20.984 -5.777 1.00 41.30 C ATOM 1969 NZ LYS B 61 21.697 -21.290 -6.719 1.00 61.13 N ATOM 0 H LYS B 61 15.898 -17.382 -7.420 1.00 53.35 H new ATOM 0 HA LYS B 61 16.351 -18.621 -4.783 1.00 64.32 H new ATOM 0 HB2 LYS B 61 16.726 -19.751 -7.142 1.00 33.32 H new ATOM 0 HB3 LYS B 61 18.191 -18.789 -7.171 1.00 33.32 H new ATOM 0 HG2 LYS B 61 18.630 -19.828 -4.799 1.00 50.01 H new ATOM 0 HG3 LYS B 61 17.438 -21.018 -5.280 1.00 50.01 H new ATOM 0 HD2 LYS B 61 18.931 -22.086 -6.588 1.00 13.14 H new ATOM 0 HD3 LYS B 61 19.303 -20.611 -7.458 1.00 13.14 H new ATOM 0 HE2 LYS B 61 20.734 -19.991 -5.352 1.00 41.30 H new ATOM 0 HE3 LYS B 61 20.607 -21.692 -4.949 1.00 41.30 H new ATOM 0 HZ1 LYS B 61 22.605 -21.238 -6.214 1.00 61.13 H new ATOM 0 HZ2 LYS B 61 21.570 -22.247 -7.106 1.00 61.13 H new ATOM 0 HZ3 LYS B 61 21.693 -20.599 -7.496 1.00 61.13 H new ATOM 1983 N LEU B 62 17.853 -16.035 -6.057 1.00 63.44 N ATOM 1984 CA LEU B 62 18.777 -14.942 -5.773 1.00 22.40 C ATOM 1985 C LEU B 62 20.221 -15.434 -5.785 1.00 42.42 C ATOM 1986 O LEU B 62 20.491 -16.498 -6.339 1.00 73.45 O ATOM 1987 CB LEU B 62 18.451 -14.311 -4.419 1.00 72.32 C ATOM 1988 CG LEU B 62 16.997 -13.887 -4.209 1.00 1.02 C ATOM 1989 CD1 LEU B 62 16.540 -14.229 -2.799 1.00 45.41 C ATOM 1990 CD2 LEU B 62 16.831 -12.398 -4.479 1.00 34.13 C ATOM 0 H LEU B 62 17.285 -15.900 -6.893 1.00 63.44 H new ATOM 0 HA LEU B 62 18.663 -14.189 -6.553 1.00 22.40 H new ATOM 0 HB2 LEU B 62 18.718 -15.021 -3.636 1.00 72.32 H new ATOM 0 HB3 LEU B 62 19.087 -13.436 -4.286 1.00 72.32 H new ATOM 0 HG LEU B 62 16.373 -14.436 -4.915 1.00 1.02 H new ATOM 0 HD11 LEU B 62 15.503 -13.920 -2.668 1.00 45.41 H new ATOM 0 HD12 LEU B 62 16.621 -15.304 -2.641 1.00 45.41 H new ATOM 0 HD13 LEU B 62 17.168 -13.708 -2.076 1.00 45.41 H new ATOM 0 HD21 LEU B 62 15.790 -12.114 -4.325 1.00 34.13 H new ATOM 0 HD22 LEU B 62 17.466 -11.832 -3.798 1.00 34.13 H new ATOM 0 HD23 LEU B 62 17.118 -12.181 -5.508 1.00 34.13 H new