USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= 0.145 (180deg=0.0797) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -40:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.129) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 170:sc= -0.161 (180deg=-0.271) USER MOD Single : B 41 CYS SG : rot -80:sc= 0.0455 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ :NH3+ 166:sc= -0.0326 (180deg=-0.25) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 4 -12.034 6.560 -1.367 1.00 32.41 N ATOM 63 CA LEU A 4 -12.478 7.775 -0.693 1.00 72.40 C ATOM 64 C LEU A 4 -11.765 7.946 0.645 1.00 35.45 C ATOM 65 O LEU A 4 -11.500 9.066 1.080 1.00 55.44 O ATOM 66 CB LEU A 4 -13.992 7.737 -0.476 1.00 72.23 C ATOM 67 CG LEU A 4 -14.506 6.661 0.480 1.00 21.35 C ATOM 68 CD1 LEU A 4 -14.891 7.275 1.817 1.00 1.35 C ATOM 69 CD2 LEU A 4 -15.691 5.926 -0.130 1.00 42.11 C ATOM 0 HA LEU A 4 -12.230 8.625 -1.328 1.00 72.40 H new ATOM 0 HB2 LEU A 4 -14.310 8.710 -0.101 1.00 72.23 H new ATOM 0 HB3 LEU A 4 -14.474 7.596 -1.443 1.00 72.23 H new ATOM 0 HG LEU A 4 -13.705 5.941 0.649 1.00 21.35 H new ATOM 0 HD11 LEU A 4 -15.255 6.494 2.485 1.00 1.35 H new ATOM 0 HD12 LEU A 4 -14.019 7.755 2.261 1.00 1.35 H new ATOM 0 HD13 LEU A 4 -15.675 8.016 1.665 1.00 1.35 H new ATOM 0 HD21 LEU A 4 -16.043 5.164 0.565 1.00 42.11 H new ATOM 0 HD22 LEU A 4 -16.495 6.634 -0.330 1.00 42.11 H new ATOM 0 HD23 LEU A 4 -15.385 5.453 -1.063 1.00 42.11 H new ATOM 81 N ARG A 5 -11.458 6.827 1.293 1.00 0.12 N ATOM 82 CA ARG A 5 -10.776 6.853 2.581 1.00 65.23 C ATOM 83 C ARG A 5 -9.348 7.368 2.429 1.00 40.31 C ATOM 84 O ARG A 5 -8.829 8.056 3.307 1.00 24.24 O ATOM 85 CB ARG A 5 -10.762 5.456 3.204 1.00 62.03 C ATOM 86 CG ARG A 5 -11.498 5.373 4.531 1.00 42.34 C ATOM 87 CD ARG A 5 -12.944 4.943 4.341 1.00 42.25 C ATOM 88 NE ARG A 5 -13.334 3.902 5.289 1.00 71.42 N ATOM 89 CZ ARG A 5 -14.374 3.096 5.108 1.00 34.20 C ATOM 90 NH1 ARG A 5 -15.124 3.211 4.020 1.00 20.52 N ATOM 91 NH2 ARG A 5 -14.665 2.172 6.015 1.00 11.34 N ATOM 0 H ARG A 5 -11.671 5.891 0.947 1.00 0.12 H new ATOM 0 HA ARG A 5 -11.321 7.531 3.238 1.00 65.23 H new ATOM 0 HB2 ARG A 5 -11.211 4.751 2.504 1.00 62.03 H new ATOM 0 HB3 ARG A 5 -9.728 5.144 3.352 1.00 62.03 H new ATOM 0 HG2 ARG A 5 -10.990 4.665 5.186 1.00 42.34 H new ATOM 0 HG3 ARG A 5 -11.468 6.344 5.026 1.00 42.34 H new ATOM 0 HD2 ARG A 5 -13.598 5.807 4.462 1.00 42.25 H new ATOM 0 HD3 ARG A 5 -13.083 4.577 3.324 1.00 42.25 H new ATOM 0 HE ARG A 5 -12.777 3.788 6.136 1.00 71.42 H new ATOM 0 HH11 ARG A 5 -14.902 3.919 3.320 1.00 20.52 H new ATOM 0 HH12 ARG A 5 -15.922 2.591 3.883 1.00 20.52 H new ATOM 0 HH21 ARG A 5 -14.090 2.080 6.852 1.00 11.34 H new ATOM 0 HH22 ARG A 5 -15.464 1.554 5.875 1.00 11.34 H new ATOM 105 N GLU A 6 -8.717 7.029 1.309 1.00 70.51 N ATOM 106 CA GLU A 6 -7.349 7.456 1.044 1.00 74.22 C ATOM 107 C GLU A 6 -7.261 8.976 0.954 1.00 0.44 C ATOM 108 O GLU A 6 -6.248 9.571 1.320 1.00 51.54 O ATOM 109 CB GLU A 6 -6.837 6.827 -0.255 1.00 31.11 C ATOM 110 CG GLU A 6 -5.385 6.386 -0.188 1.00 4.02 C ATOM 111 CD GLU A 6 -4.434 7.421 -0.757 1.00 1.12 C ATOM 112 OE1 GLU A 6 -3.809 7.141 -1.800 1.00 70.24 O ATOM 113 OE2 GLU A 6 -4.315 8.512 -0.158 1.00 72.44 O ATOM 0 H GLU A 6 -9.132 6.460 0.571 1.00 70.51 H new ATOM 0 HA GLU A 6 -6.725 7.122 1.873 1.00 74.22 H new ATOM 0 HB2 GLU A 6 -7.458 5.966 -0.501 1.00 31.11 H new ATOM 0 HB3 GLU A 6 -6.952 7.545 -1.067 1.00 31.11 H new ATOM 0 HG2 GLU A 6 -5.118 6.184 0.849 1.00 4.02 H new ATOM 0 HG3 GLU A 6 -5.268 5.451 -0.735 1.00 4.02 H new ATOM 120 N GLU A 7 -8.330 9.597 0.466 1.00 53.33 N ATOM 121 CA GLU A 7 -8.372 11.049 0.327 1.00 30.21 C ATOM 122 C GLU A 7 -8.320 11.727 1.693 1.00 33.45 C ATOM 123 O GLU A 7 -7.760 12.813 1.838 1.00 64.15 O ATOM 124 CB GLU A 7 -9.639 11.475 -0.419 1.00 63.01 C ATOM 125 CG GLU A 7 -9.429 11.674 -1.910 1.00 1.32 C ATOM 126 CD GLU A 7 -10.689 12.129 -2.620 1.00 75.13 C ATOM 127 OE1 GLU A 7 -10.656 12.252 -3.863 1.00 31.11 O ATOM 128 OE2 GLU A 7 -11.706 12.361 -1.936 1.00 11.10 O ATOM 0 H GLU A 7 -9.178 9.119 0.161 1.00 53.33 H new ATOM 0 HA GLU A 7 -7.499 11.360 -0.247 1.00 30.21 H new ATOM 0 HB2 GLU A 7 -10.411 10.721 -0.267 1.00 63.01 H new ATOM 0 HB3 GLU A 7 -10.011 12.404 0.014 1.00 63.01 H new ATOM 0 HG2 GLU A 7 -8.641 12.411 -2.067 1.00 1.32 H new ATOM 0 HG3 GLU A 7 -9.084 10.740 -2.353 1.00 1.32 H new ATOM 135 N ALA A 8 -8.911 11.079 2.692 1.00 50.34 N ATOM 136 CA ALA A 8 -8.931 11.618 4.046 1.00 62.30 C ATOM 137 C ALA A 8 -7.528 11.993 4.508 1.00 1.31 C ATOM 138 O ALA A 8 -7.289 13.118 4.947 1.00 53.44 O ATOM 139 CB ALA A 8 -9.553 10.613 5.005 1.00 0.31 C ATOM 0 H ALA A 8 -9.382 10.180 2.589 1.00 50.34 H new ATOM 0 HA ALA A 8 -9.538 12.523 4.041 1.00 62.30 H new ATOM 0 HB1 ALA A 8 -9.561 11.029 6.013 1.00 0.31 H new ATOM 0 HB2 ALA A 8 -10.575 10.397 4.693 1.00 0.31 H new ATOM 0 HB3 ALA A 8 -8.969 9.693 4.997 1.00 0.31 H new ATOM 145 N ALA A 9 -6.603 11.045 4.408 1.00 45.14 N ATOM 146 CA ALA A 9 -5.223 11.277 4.815 1.00 62.13 C ATOM 147 C ALA A 9 -4.631 12.480 4.088 1.00 65.31 C ATOM 148 O ALA A 9 -3.775 13.184 4.625 1.00 12.23 O ATOM 149 CB ALA A 9 -4.380 10.036 4.558 1.00 41.31 C ATOM 0 H ALA A 9 -6.784 10.108 4.048 1.00 45.14 H new ATOM 0 HA ALA A 9 -5.217 11.492 5.884 1.00 62.13 H new ATOM 0 HB1 ALA A 9 -3.352 10.224 4.867 1.00 41.31 H new ATOM 0 HB2 ALA A 9 -4.782 9.198 5.128 1.00 41.31 H new ATOM 0 HB3 ALA A 9 -4.401 9.795 3.495 1.00 41.31 H new ATOM 155 N LYS A 10 -5.091 12.710 2.863 1.00 31.31 N ATOM 156 CA LYS A 10 -4.608 13.828 2.062 1.00 34.32 C ATOM 157 C LYS A 10 -5.206 15.145 2.548 1.00 62.52 C ATOM 158 O LYS A 10 -4.512 16.159 2.634 1.00 3.20 O ATOM 159 CB LYS A 10 -4.957 13.613 0.587 1.00 31.21 C ATOM 160 CG LYS A 10 -3.857 14.045 -0.367 1.00 62.31 C ATOM 161 CD LYS A 10 -3.379 12.887 -1.228 1.00 1.44 C ATOM 162 CE LYS A 10 -2.212 12.157 -0.581 1.00 3.50 C ATOM 163 NZ LYS A 10 -2.632 10.857 0.012 1.00 72.13 N ATOM 0 H LYS A 10 -5.798 12.137 2.403 1.00 31.31 H new ATOM 0 HA LYS A 10 -3.525 13.878 2.171 1.00 34.32 H new ATOM 0 HB2 LYS A 10 -5.174 12.557 0.424 1.00 31.21 H new ATOM 0 HB3 LYS A 10 -5.867 14.166 0.353 1.00 31.21 H new ATOM 0 HG2 LYS A 10 -4.223 14.848 -1.006 1.00 62.31 H new ATOM 0 HG3 LYS A 10 -3.018 14.447 0.201 1.00 62.31 H new ATOM 0 HD2 LYS A 10 -4.201 12.190 -1.391 1.00 1.44 H new ATOM 0 HD3 LYS A 10 -3.079 13.260 -2.207 1.00 1.44 H new ATOM 0 HE2 LYS A 10 -1.435 11.983 -1.325 1.00 3.50 H new ATOM 0 HE3 LYS A 10 -1.775 12.786 0.195 1.00 3.50 H new ATOM 0 HZ1 LYS A 10 -1.799 10.246 0.135 1.00 72.13 H new ATOM 0 HZ2 LYS A 10 -3.077 11.025 0.937 1.00 72.13 H new ATOM 0 HZ3 LYS A 10 -3.313 10.391 -0.621 1.00 72.13 H new ATOM 177 N LEU A 11 -6.495 15.122 2.868 1.00 62.34 N ATOM 178 CA LEU A 11 -7.186 16.314 3.349 1.00 63.24 C ATOM 179 C LEU A 11 -6.668 16.725 4.724 1.00 54.45 C ATOM 180 O LEU A 11 -6.651 17.908 5.064 1.00 54.10 O ATOM 181 CB LEU A 11 -8.693 16.063 3.413 1.00 55.14 C ATOM 182 CG LEU A 11 -9.444 16.144 2.083 1.00 2.52 C ATOM 183 CD1 LEU A 11 -10.468 15.025 1.980 1.00 75.11 C ATOM 184 CD2 LEU A 11 -10.115 17.501 1.932 1.00 33.21 C ATOM 0 H LEU A 11 -7.083 14.291 2.803 1.00 62.34 H new ATOM 0 HA LEU A 11 -6.989 17.126 2.649 1.00 63.24 H new ATOM 0 HB2 LEU A 11 -8.859 15.074 3.841 1.00 55.14 H new ATOM 0 HB3 LEU A 11 -9.133 16.786 4.100 1.00 55.14 H new ATOM 0 HG LEU A 11 -8.725 16.025 1.273 1.00 2.52 H new ATOM 0 HD11 LEU A 11 -10.993 15.098 1.027 1.00 75.11 H new ATOM 0 HD12 LEU A 11 -9.962 14.062 2.042 1.00 75.11 H new ATOM 0 HD13 LEU A 11 -11.185 15.111 2.797 1.00 75.11 H new ATOM 0 HD21 LEU A 11 -10.645 17.541 0.980 1.00 33.21 H new ATOM 0 HD22 LEU A 11 -10.823 17.650 2.748 1.00 33.21 H new ATOM 0 HD23 LEU A 11 -9.359 18.286 1.960 1.00 33.21 H new ATOM 196 N PHE A 12 -6.246 15.741 5.510 1.00 63.53 N ATOM 197 CA PHE A 12 -5.727 16.000 6.848 1.00 12.52 C ATOM 198 C PHE A 12 -4.528 16.943 6.793 1.00 32.11 C ATOM 199 O PHE A 12 -4.331 17.765 7.687 1.00 45.14 O ATOM 200 CB PHE A 12 -5.327 14.688 7.527 1.00 13.41 C ATOM 201 CG PHE A 12 -6.377 14.152 8.458 1.00 43.15 C ATOM 202 CD1 PHE A 12 -7.678 13.963 8.021 1.00 24.45 C ATOM 203 CD2 PHE A 12 -6.061 13.836 9.770 1.00 11.35 C ATOM 204 CE1 PHE A 12 -8.646 13.469 8.875 1.00 23.43 C ATOM 205 CE2 PHE A 12 -7.025 13.342 10.628 1.00 32.33 C ATOM 206 CZ PHE A 12 -8.319 13.158 10.181 1.00 2.34 C ATOM 0 H PHE A 12 -6.253 14.756 5.244 1.00 63.53 H new ATOM 0 HA PHE A 12 -6.516 16.476 7.430 1.00 12.52 H new ATOM 0 HB2 PHE A 12 -5.116 13.941 6.761 1.00 13.41 H new ATOM 0 HB3 PHE A 12 -4.403 14.843 8.084 1.00 13.41 H new ATOM 0 HD1 PHE A 12 -7.939 14.204 7.001 1.00 24.45 H new ATOM 0 HD2 PHE A 12 -5.051 13.977 10.125 1.00 11.35 H new ATOM 0 HE1 PHE A 12 -9.657 13.326 8.522 1.00 23.43 H new ATOM 0 HE2 PHE A 12 -6.767 13.100 11.648 1.00 32.33 H new ATOM 0 HZ PHE A 12 -9.073 12.772 10.851 1.00 2.34 H new ATOM 216 N GLU A 13 -3.731 16.816 5.737 1.00 53.31 N ATOM 217 CA GLU A 13 -2.551 17.655 5.565 1.00 22.24 C ATOM 218 C GLU A 13 -2.948 19.095 5.249 1.00 32.41 C ATOM 219 O GLU A 13 -2.281 20.039 5.669 1.00 24.33 O ATOM 220 CB GLU A 13 -1.663 17.102 4.449 1.00 52.43 C ATOM 221 CG GLU A 13 -0.183 17.383 4.653 1.00 21.14 C ATOM 222 CD GLU A 13 0.302 18.572 3.849 1.00 55.45 C ATOM 223 OE1 GLU A 13 1.435 18.512 3.327 1.00 43.43 O ATOM 224 OE2 GLU A 13 -0.450 19.563 3.741 1.00 32.24 O ATOM 0 H GLU A 13 -3.881 16.140 4.988 1.00 53.31 H new ATOM 0 HA GLU A 13 -1.992 17.648 6.501 1.00 22.24 H new ATOM 0 HB2 GLU A 13 -1.813 16.025 4.377 1.00 52.43 H new ATOM 0 HB3 GLU A 13 -1.978 17.532 3.498 1.00 52.43 H new ATOM 0 HG2 GLU A 13 0.006 17.564 5.711 1.00 21.14 H new ATOM 0 HG3 GLU A 13 0.392 16.501 4.372 1.00 21.14 H new ATOM 231 N GLU A 14 -4.039 19.251 4.506 1.00 54.21 N ATOM 232 CA GLU A 14 -4.523 20.575 4.132 1.00 20.41 C ATOM 233 C GLU A 14 -4.703 21.457 5.364 1.00 64.14 C ATOM 234 O GLU A 14 -4.253 22.603 5.391 1.00 63.20 O ATOM 235 CB GLU A 14 -5.849 20.463 3.376 1.00 73.55 C ATOM 236 CG GLU A 14 -5.778 20.971 1.945 1.00 31.43 C ATOM 237 CD GLU A 14 -5.576 22.472 1.869 1.00 30.01 C ATOM 238 OE1 GLU A 14 -5.424 23.104 2.936 1.00 64.22 O ATOM 239 OE2 GLU A 14 -5.572 23.014 0.745 1.00 54.52 O ATOM 0 H GLU A 14 -4.604 18.479 4.152 1.00 54.21 H new ATOM 0 HA GLU A 14 -3.779 21.035 3.482 1.00 20.41 H new ATOM 0 HB2 GLU A 14 -6.166 19.420 3.367 1.00 73.55 H new ATOM 0 HB3 GLU A 14 -6.613 21.024 3.914 1.00 73.55 H new ATOM 0 HG2 GLU A 14 -4.960 20.471 1.426 1.00 31.43 H new ATOM 0 HG3 GLU A 14 -6.697 20.705 1.423 1.00 31.43 H new ATOM 246 N TRP A 15 -5.362 20.914 6.382 1.00 43.45 N ATOM 247 CA TRP A 15 -5.601 21.651 7.618 1.00 73.22 C ATOM 248 C TRP A 15 -4.291 22.156 8.212 1.00 1.01 C ATOM 249 O TRP A 15 -4.172 23.326 8.577 1.00 35.22 O ATOM 250 CB TRP A 15 -6.329 20.766 8.630 1.00 45.42 C ATOM 251 CG TRP A 15 -7.553 20.107 8.072 1.00 12.43 C ATOM 252 CD1 TRP A 15 -8.353 20.579 7.071 1.00 33.15 C ATOM 253 CD2 TRP A 15 -8.119 18.859 8.486 1.00 60.23 C ATOM 254 NE1 TRP A 15 -9.382 19.698 6.836 1.00 4.43 N ATOM 255 CE2 TRP A 15 -9.260 18.635 7.691 1.00 61.05 C ATOM 256 CE3 TRP A 15 -7.771 17.907 9.448 1.00 14.05 C ATOM 257 CZ2 TRP A 15 -10.053 17.500 7.831 1.00 33.31 C ATOM 258 CZ3 TRP A 15 -8.560 16.781 9.587 1.00 13.23 C ATOM 259 CH2 TRP A 15 -9.690 16.585 8.781 1.00 45.12 C ATOM 0 H TRP A 15 -5.740 19.967 6.376 1.00 43.45 H new ATOM 0 HA TRP A 15 -6.227 22.512 7.384 1.00 73.22 H new ATOM 0 HB2 TRP A 15 -5.644 19.998 8.989 1.00 45.42 H new ATOM 0 HB3 TRP A 15 -6.612 21.370 9.492 1.00 45.42 H new ATOM 0 HD1 TRP A 15 -8.200 21.508 6.542 1.00 33.15 H new ATOM 0 HE1 TRP A 15 -10.117 19.817 6.138 1.00 4.43 H new ATOM 0 HE3 TRP A 15 -6.901 18.049 10.072 1.00 14.05 H new ATOM 0 HZ2 TRP A 15 -10.924 17.347 7.211 1.00 33.31 H new ATOM 0 HZ3 TRP A 15 -8.302 16.040 10.329 1.00 13.23 H new ATOM 0 HH2 TRP A 15 -10.286 15.694 8.913 1.00 45.12 H new ATOM 270 N LYS A 16 -3.308 21.266 8.309 1.00 13.23 N ATOM 271 CA LYS A 16 -2.006 21.621 8.859 1.00 61.21 C ATOM 272 C LYS A 16 -1.280 22.605 7.947 1.00 63.13 C ATOM 273 O LYS A 16 -0.467 23.409 8.405 1.00 54.04 O ATOM 274 CB LYS A 16 -1.153 20.365 9.055 1.00 54.53 C ATOM 275 CG LYS A 16 0.279 20.662 9.467 1.00 40.03 C ATOM 276 CD LYS A 16 1.213 20.675 8.268 1.00 2.24 C ATOM 277 CE LYS A 16 2.122 19.456 8.257 1.00 71.24 C ATOM 278 NZ LYS A 16 3.472 19.765 8.803 1.00 63.44 N ATOM 0 H LYS A 16 -3.389 20.293 8.013 1.00 13.23 H new ATOM 0 HA LYS A 16 -2.165 22.099 9.826 1.00 61.21 H new ATOM 0 HB2 LYS A 16 -1.617 19.735 9.814 1.00 54.53 H new ATOM 0 HB3 LYS A 16 -1.144 19.793 8.127 1.00 54.53 H new ATOM 0 HG2 LYS A 16 0.321 21.627 9.972 1.00 40.03 H new ATOM 0 HG3 LYS A 16 0.615 19.912 10.183 1.00 40.03 H new ATOM 0 HD2 LYS A 16 0.627 20.702 7.349 1.00 2.24 H new ATOM 0 HD3 LYS A 16 1.818 21.581 8.287 1.00 2.24 H new ATOM 0 HE2 LYS A 16 1.667 18.658 8.844 1.00 71.24 H new ATOM 0 HE3 LYS A 16 2.219 19.085 7.237 1.00 71.24 H new ATOM 0 HZ1 LYS A 16 4.061 18.908 8.778 1.00 63.44 H new ATOM 0 HZ2 LYS A 16 3.917 20.508 8.228 1.00 63.44 H new ATOM 0 HZ3 LYS A 16 3.382 20.095 9.785 1.00 63.44 H new ATOM 292 N LYS A 17 -1.579 22.537 6.654 1.00 61.12 N ATOM 293 CA LYS A 17 -0.957 23.423 5.676 1.00 21.25 C ATOM 294 C LYS A 17 -1.291 24.882 5.975 1.00 72.44 C ATOM 295 O LYS A 17 -0.412 25.744 5.966 1.00 1.12 O ATOM 296 CB LYS A 17 -1.420 23.062 4.263 1.00 63.20 C ATOM 297 CG LYS A 17 -0.423 23.439 3.182 1.00 74.02 C ATOM 298 CD LYS A 17 -0.779 24.766 2.533 1.00 53.01 C ATOM 299 CE LYS A 17 0.123 25.065 1.345 1.00 31.25 C ATOM 300 NZ LYS A 17 -0.549 25.942 0.346 1.00 2.23 N ATOM 0 H LYS A 17 -2.249 21.877 6.259 1.00 61.12 H new ATOM 0 HA LYS A 17 0.123 23.295 5.741 1.00 21.25 H new ATOM 0 HB2 LYS A 17 -1.608 21.989 4.214 1.00 63.20 H new ATOM 0 HB3 LYS A 17 -2.368 23.561 4.062 1.00 63.20 H new ATOM 0 HG2 LYS A 17 0.576 23.500 3.613 1.00 74.02 H new ATOM 0 HG3 LYS A 17 -0.395 22.657 2.423 1.00 74.02 H new ATOM 0 HD2 LYS A 17 -1.819 24.745 2.206 1.00 53.01 H new ATOM 0 HD3 LYS A 17 -0.692 25.566 3.268 1.00 53.01 H new ATOM 0 HE2 LYS A 17 1.037 25.546 1.694 1.00 31.25 H new ATOM 0 HE3 LYS A 17 0.417 24.130 0.868 1.00 31.25 H new ATOM 0 HZ1 LYS A 17 0.098 26.123 -0.448 1.00 2.23 H new ATOM 0 HZ2 LYS A 17 -1.407 25.472 -0.007 1.00 2.23 H new ATOM 0 HZ3 LYS A 17 -0.807 26.844 0.794 1.00 2.23 H new ATOM 314 N LEU A 18 -2.564 25.150 6.240 1.00 25.43 N ATOM 315 CA LEU A 18 -3.014 26.505 6.544 1.00 64.52 C ATOM 316 C LEU A 18 -2.597 26.914 7.953 1.00 53.34 C ATOM 317 O LEU A 18 -2.349 28.089 8.220 1.00 50.53 O ATOM 318 CB LEU A 18 -4.534 26.603 6.401 1.00 23.31 C ATOM 319 CG LEU A 18 -5.083 26.482 4.979 1.00 24.21 C ATOM 320 CD1 LEU A 18 -6.598 26.616 4.979 1.00 1.43 C ATOM 321 CD2 LEU A 18 -4.453 27.529 4.073 1.00 71.44 C ATOM 0 H LEU A 18 -3.304 24.448 6.251 1.00 25.43 H new ATOM 0 HA LEU A 18 -2.544 27.185 5.834 1.00 64.52 H new ATOM 0 HB2 LEU A 18 -4.988 25.822 7.012 1.00 23.31 H new ATOM 0 HB3 LEU A 18 -4.857 27.559 6.814 1.00 23.31 H new ATOM 0 HG LEU A 18 -4.826 25.495 4.593 1.00 24.21 H new ATOM 0 HD11 LEU A 18 -6.971 26.527 3.959 1.00 1.43 H new ATOM 0 HD12 LEU A 18 -7.033 25.828 5.594 1.00 1.43 H new ATOM 0 HD13 LEU A 18 -6.877 27.589 5.384 1.00 1.43 H new ATOM 0 HD21 LEU A 18 -4.856 27.428 3.065 1.00 71.44 H new ATOM 0 HD22 LEU A 18 -4.679 28.524 4.456 1.00 71.44 H new ATOM 0 HD23 LEU A 18 -3.373 27.386 4.048 1.00 71.44 H new ATOM 333 N ALA A 19 -2.520 25.936 8.850 1.00 71.11 N ATOM 334 CA ALA A 19 -2.129 26.194 10.229 1.00 20.40 C ATOM 335 C ALA A 19 -0.704 26.731 10.305 1.00 53.40 C ATOM 336 O ALA A 19 -0.418 27.651 11.070 1.00 52.13 O ATOM 337 CB ALA A 19 -2.262 24.927 11.061 1.00 22.41 C ATOM 0 H ALA A 19 -2.724 24.958 8.645 1.00 71.11 H new ATOM 0 HA ALA A 19 -2.798 26.954 10.634 1.00 20.40 H new ATOM 0 HB1 ALA A 19 -1.966 25.134 12.089 1.00 22.41 H new ATOM 0 HB2 ALA A 19 -3.297 24.587 11.043 1.00 22.41 H new ATOM 0 HB3 ALA A 19 -1.618 24.151 10.648 1.00 22.41 H new ATOM 343 N GLU A 20 0.186 26.149 9.506 1.00 31.04 N ATOM 344 CA GLU A 20 1.582 26.570 9.485 1.00 50.34 C ATOM 345 C GLU A 20 1.711 28.002 8.974 1.00 3.21 C ATOM 346 O GLU A 20 2.494 28.791 9.502 1.00 3.42 O ATOM 347 CB GLU A 20 2.408 25.628 8.606 1.00 40.42 C ATOM 348 CG GLU A 20 3.880 25.997 8.535 1.00 25.40 C ATOM 349 CD GLU A 20 4.791 24.821 8.833 1.00 71.10 C ATOM 350 OE1 GLU A 20 5.408 24.808 9.918 1.00 1.34 O ATOM 351 OE2 GLU A 20 4.887 23.913 7.980 1.00 4.00 O ATOM 0 H GLU A 20 -0.035 25.386 8.866 1.00 31.04 H new ATOM 0 HA GLU A 20 1.962 26.531 10.506 1.00 50.34 H new ATOM 0 HB2 GLU A 20 2.315 24.612 8.989 1.00 40.42 H new ATOM 0 HB3 GLU A 20 1.993 25.628 7.598 1.00 40.42 H new ATOM 0 HG2 GLU A 20 4.106 26.385 7.542 1.00 25.40 H new ATOM 0 HG3 GLU A 20 4.084 26.799 9.244 1.00 25.40 H new ATOM 358 N GLU A 21 0.937 28.330 7.945 1.00 34.32 N ATOM 359 CA GLU A 21 0.966 29.666 7.363 1.00 13.31 C ATOM 360 C GLU A 21 0.402 30.697 8.338 1.00 72.44 C ATOM 361 O GLU A 21 0.817 31.855 8.341 1.00 23.00 O ATOM 362 CB GLU A 21 0.170 29.695 6.056 1.00 2.34 C ATOM 363 CG GLU A 21 0.618 30.783 5.095 1.00 54.14 C ATOM 364 CD GLU A 21 1.125 30.226 3.779 1.00 60.45 C ATOM 365 OE1 GLU A 21 2.143 29.503 3.795 1.00 74.21 O ATOM 366 OE2 GLU A 21 0.505 30.512 2.734 1.00 34.33 O ATOM 0 H GLU A 21 0.282 27.689 7.497 1.00 34.32 H new ATOM 0 HA GLU A 21 2.005 29.920 7.153 1.00 13.31 H new ATOM 0 HB2 GLU A 21 0.261 28.727 5.563 1.00 2.34 H new ATOM 0 HB3 GLU A 21 -0.886 29.838 6.286 1.00 2.34 H new ATOM 0 HG2 GLU A 21 -0.216 31.458 4.902 1.00 54.14 H new ATOM 0 HG3 GLU A 21 1.405 31.374 5.563 1.00 54.14 H new ATOM 373 N ALA A 22 -0.546 30.265 9.162 1.00 32.32 N ATOM 374 CA ALA A 22 -1.167 31.148 10.142 1.00 63.02 C ATOM 375 C ALA A 22 -0.182 31.523 11.245 1.00 64.42 C ATOM 376 O ALA A 22 -0.241 32.620 11.796 1.00 4.23 O ATOM 377 CB ALA A 22 -2.403 30.491 10.737 1.00 73.10 C ATOM 0 H ALA A 22 -0.901 29.309 9.171 1.00 32.32 H new ATOM 0 HA ALA A 22 -1.466 32.063 9.631 1.00 63.02 H new ATOM 0 HB1 ALA A 22 -2.856 31.162 11.467 1.00 73.10 H new ATOM 0 HB2 ALA A 22 -3.120 30.280 9.944 1.00 73.10 H new ATOM 0 HB3 ALA A 22 -2.120 29.560 11.227 1.00 73.10 H new ATOM 383 N ALA A 23 0.722 30.601 11.561 1.00 3.12 N ATOM 384 CA ALA A 23 1.721 30.835 12.598 1.00 51.11 C ATOM 385 C ALA A 23 2.738 31.880 12.153 1.00 3.44 C ATOM 386 O ALA A 23 3.260 32.640 12.969 1.00 1.23 O ATOM 387 CB ALA A 23 2.421 29.534 12.959 1.00 65.01 C ATOM 0 H ALA A 23 0.783 29.686 11.114 1.00 3.12 H new ATOM 0 HA ALA A 23 1.210 31.217 13.482 1.00 51.11 H new ATOM 0 HB1 ALA A 23 3.164 29.723 13.734 1.00 65.01 H new ATOM 0 HB2 ALA A 23 1.688 28.816 13.327 1.00 65.01 H new ATOM 0 HB3 ALA A 23 2.914 29.129 12.075 1.00 65.01 H new ATOM 393 N LYS A 24 3.017 31.913 10.855 1.00 42.05 N ATOM 394 CA LYS A 24 3.973 32.865 10.300 1.00 25.15 C ATOM 395 C LYS A 24 3.452 34.293 10.425 1.00 74.12 C ATOM 396 O LYS A 24 4.217 35.224 10.676 1.00 40.24 O ATOM 397 CB LYS A 24 4.255 32.539 8.832 1.00 22.31 C ATOM 398 CG LYS A 24 5.026 31.246 8.633 1.00 61.20 C ATOM 399 CD LYS A 24 4.773 30.651 7.258 1.00 5.35 C ATOM 400 CE LYS A 24 5.710 31.240 6.215 1.00 41.30 C ATOM 401 NZ LYS A 24 5.814 30.373 5.010 1.00 53.52 N ATOM 0 H LYS A 24 2.594 31.291 10.166 1.00 42.05 H new ATOM 0 HA LYS A 24 4.900 32.784 10.867 1.00 25.15 H new ATOM 0 HB2 LYS A 24 3.309 32.474 8.295 1.00 22.31 H new ATOM 0 HB3 LYS A 24 4.818 33.360 8.388 1.00 22.31 H new ATOM 0 HG2 LYS A 24 6.092 31.434 8.758 1.00 61.20 H new ATOM 0 HG3 LYS A 24 4.737 30.527 9.400 1.00 61.20 H new ATOM 0 HD2 LYS A 24 4.905 29.570 7.298 1.00 5.35 H new ATOM 0 HD3 LYS A 24 3.739 30.835 6.965 1.00 5.35 H new ATOM 0 HE2 LYS A 24 5.353 32.227 5.922 1.00 41.30 H new ATOM 0 HE3 LYS A 24 6.700 31.376 6.651 1.00 41.30 H new ATOM 0 HZ1 LYS A 24 6.462 30.809 4.323 1.00 53.52 H new ATOM 0 HZ2 LYS A 24 6.179 29.439 5.285 1.00 53.52 H new ATOM 0 HZ3 LYS A 24 4.874 30.264 4.579 1.00 53.52 H new ATOM 415 N LEU A 25 2.145 34.459 10.247 1.00 60.13 N ATOM 416 CA LEU A 25 1.521 35.774 10.340 1.00 63.43 C ATOM 417 C LEU A 25 1.572 36.300 11.771 1.00 34.53 C ATOM 418 O LEU A 25 1.712 37.503 11.997 1.00 24.51 O ATOM 419 CB LEU A 25 0.071 35.707 9.860 1.00 72.12 C ATOM 420 CG LEU A 25 -0.217 36.344 8.500 1.00 51.25 C ATOM 421 CD1 LEU A 25 -0.591 35.279 7.480 1.00 23.24 C ATOM 422 CD2 LEU A 25 -1.321 37.383 8.619 1.00 43.51 C ATOM 0 H LEU A 25 1.498 33.699 10.038 1.00 60.13 H new ATOM 0 HA LEU A 25 2.077 36.460 9.700 1.00 63.43 H new ATOM 0 HB2 LEU A 25 -0.229 34.660 9.819 1.00 72.12 H new ATOM 0 HB3 LEU A 25 -0.560 36.190 10.606 1.00 72.12 H new ATOM 0 HG LEU A 25 0.688 36.845 8.157 1.00 51.25 H new ATOM 0 HD11 LEU A 25 -0.792 35.751 6.518 1.00 23.24 H new ATOM 0 HD12 LEU A 25 0.233 34.573 7.372 1.00 23.24 H new ATOM 0 HD13 LEU A 25 -1.482 34.749 7.818 1.00 23.24 H new ATOM 0 HD21 LEU A 25 -1.512 37.825 7.641 1.00 43.51 H new ATOM 0 HD22 LEU A 25 -2.231 36.907 8.986 1.00 43.51 H new ATOM 0 HD23 LEU A 25 -1.013 38.163 9.316 1.00 43.51 H new ATOM 434 N LEU A 26 1.458 35.392 12.734 1.00 63.41 N ATOM 435 CA LEU A 26 1.492 35.764 14.144 1.00 61.43 C ATOM 436 C LEU A 26 2.874 36.274 14.539 1.00 53.45 C ATOM 437 O LEU A 26 2.998 37.253 15.273 1.00 5.24 O ATOM 438 CB LEU A 26 1.110 34.567 15.017 1.00 14.14 C ATOM 439 CG LEU A 26 -0.266 34.634 15.682 1.00 53.34 C ATOM 440 CD1 LEU A 26 -0.570 33.335 16.411 1.00 63.12 C ATOM 441 CD2 LEU A 26 -0.339 35.815 16.639 1.00 75.14 C ATOM 0 H LEU A 26 1.341 34.393 12.564 1.00 63.41 H new ATOM 0 HA LEU A 26 0.770 36.566 14.300 1.00 61.43 H new ATOM 0 HB2 LEU A 26 1.152 33.667 14.403 1.00 14.14 H new ATOM 0 HB3 LEU A 26 1.863 34.456 15.797 1.00 14.14 H new ATOM 0 HG LEU A 26 -1.017 34.775 14.905 1.00 53.34 H new ATOM 0 HD11 LEU A 26 -1.553 33.401 16.878 1.00 63.12 H new ATOM 0 HD12 LEU A 26 -0.561 32.508 15.701 1.00 63.12 H new ATOM 0 HD13 LEU A 26 0.185 33.163 17.178 1.00 63.12 H new ATOM 0 HD21 LEU A 26 -1.325 35.847 17.103 1.00 75.14 H new ATOM 0 HD22 LEU A 26 0.422 35.705 17.411 1.00 75.14 H new ATOM 0 HD23 LEU A 26 -0.167 36.740 16.089 1.00 75.14 H new ATOM 453 N GLU A 27 3.911 35.604 14.044 1.00 2.44 N ATOM 454 CA GLU A 27 5.284 35.992 14.345 1.00 61.23 C ATOM 455 C GLU A 27 5.876 36.821 13.209 1.00 52.04 C ATOM 456 O GLU A 27 7.093 36.964 13.099 1.00 22.42 O ATOM 457 CB GLU A 27 6.146 34.751 14.588 1.00 21.12 C ATOM 458 CG GLU A 27 6.455 33.967 13.324 1.00 30.34 C ATOM 459 CD GLU A 27 7.342 32.766 13.585 1.00 61.43 C ATOM 460 OE1 GLU A 27 7.901 32.219 12.611 1.00 23.53 O ATOM 461 OE2 GLU A 27 7.478 32.372 14.762 1.00 1.10 O ATOM 0 H GLU A 27 3.826 34.791 13.434 1.00 2.44 H new ATOM 0 HA GLU A 27 5.273 36.601 15.249 1.00 61.23 H new ATOM 0 HB2 GLU A 27 7.083 35.056 15.055 1.00 21.12 H new ATOM 0 HB3 GLU A 27 5.635 34.097 15.295 1.00 21.12 H new ATOM 0 HG2 GLU A 27 5.522 33.633 12.871 1.00 30.34 H new ATOM 0 HG3 GLU A 27 6.942 34.624 12.603 1.00 30.34 H new ATOM 468 N GLY A 28 5.005 37.365 12.364 1.00 2.14 N ATOM 469 CA GLY A 28 5.460 38.172 11.247 1.00 2.45 C ATOM 470 C GLY A 28 5.965 37.332 10.092 1.00 33.55 C ATOM 471 O GLY A 28 5.432 37.402 8.985 1.00 20.53 O ATOM 0 H GLY A 28 3.993 37.261 12.433 1.00 2.14 H new ATOM 0 HA2 GLY A 28 4.641 38.804 10.902 1.00 2.45 H new ATOM 0 HA3 GLY A 28 6.255 38.837 11.584 1.00 2.45 H new ATOM 524 N GLU A 36 5.440 32.313 21.844 1.00 20.35 N ATOM 525 CA GLU A 36 4.326 31.428 22.164 1.00 42.24 C ATOM 526 C GLU A 36 3.314 31.394 21.024 1.00 70.43 C ATOM 527 O GLU A 36 2.654 30.379 20.794 1.00 13.41 O ATOM 528 CB GLU A 36 3.640 31.880 23.455 1.00 45.53 C ATOM 529 CG GLU A 36 2.343 31.146 23.745 1.00 21.10 C ATOM 530 CD GLU A 36 1.774 31.482 25.110 1.00 62.33 C ATOM 531 OE1 GLU A 36 1.283 30.557 25.791 1.00 33.00 O ATOM 532 OE2 GLU A 36 1.819 32.668 25.497 1.00 75.32 O ATOM 0 HA GLU A 36 4.724 30.423 22.305 1.00 42.24 H new ATOM 0 HB2 GLU A 36 4.325 31.734 24.290 1.00 45.53 H new ATOM 0 HB3 GLU A 36 3.436 32.949 23.393 1.00 45.53 H new ATOM 0 HG2 GLU A 36 1.609 31.396 22.978 1.00 21.10 H new ATOM 0 HG3 GLU A 36 2.516 30.072 23.682 1.00 21.10 H new ATOM 539 N LEU A 37 3.196 32.509 20.312 1.00 33.43 N ATOM 540 CA LEU A 37 2.263 32.609 19.194 1.00 64.32 C ATOM 541 C LEU A 37 2.514 31.503 18.175 1.00 64.14 C ATOM 542 O LEU A 37 1.593 31.048 17.498 1.00 54.34 O ATOM 543 CB LEU A 37 2.388 33.977 18.521 1.00 33.25 C ATOM 544 CG LEU A 37 2.267 35.191 19.443 1.00 41.35 C ATOM 545 CD1 LEU A 37 3.023 36.377 18.862 1.00 44.13 C ATOM 546 CD2 LEU A 37 0.806 35.547 19.669 1.00 62.11 C ATOM 0 H LEU A 37 3.735 33.357 20.489 1.00 33.43 H new ATOM 0 HA LEU A 37 1.252 32.494 19.585 1.00 64.32 H new ATOM 0 HB2 LEU A 37 3.352 34.024 18.015 1.00 33.25 H new ATOM 0 HB3 LEU A 37 1.620 34.053 17.751 1.00 33.25 H new ATOM 0 HG LEU A 37 2.710 34.938 20.406 1.00 41.35 H new ATOM 0 HD11 LEU A 37 2.927 37.233 19.530 1.00 44.13 H new ATOM 0 HD12 LEU A 37 4.076 36.119 18.752 1.00 44.13 H new ATOM 0 HD13 LEU A 37 2.608 36.630 17.886 1.00 44.13 H new ATOM 0 HD21 LEU A 37 0.740 36.413 20.327 1.00 62.11 H new ATOM 0 HD22 LEU A 37 0.337 35.781 18.714 1.00 62.11 H new ATOM 0 HD23 LEU A 37 0.293 34.702 20.128 1.00 62.11 H new ATOM 558 N MET A 38 3.768 31.073 18.073 1.00 24.31 N ATOM 559 CA MET A 38 4.141 30.017 17.139 1.00 35.54 C ATOM 560 C MET A 38 3.715 28.650 17.665 1.00 50.24 C ATOM 561 O MET A 38 3.371 27.756 16.892 1.00 2.11 O ATOM 562 CB MET A 38 5.651 30.035 16.892 1.00 73.51 C ATOM 563 CG MET A 38 6.149 28.837 16.099 1.00 52.54 C ATOM 564 SD MET A 38 7.473 29.268 14.951 1.00 61.02 S ATOM 565 CE MET A 38 8.870 29.366 16.067 1.00 2.33 C ATOM 0 H MET A 38 4.543 31.440 18.626 1.00 24.31 H new ATOM 0 HA MET A 38 3.624 30.200 16.197 1.00 35.54 H new ATOM 0 HB2 MET A 38 5.913 30.949 16.358 1.00 73.51 H new ATOM 0 HB3 MET A 38 6.168 30.066 17.851 1.00 73.51 H new ATOM 0 HG2 MET A 38 6.506 28.072 16.789 1.00 52.54 H new ATOM 0 HG3 MET A 38 5.318 28.403 15.543 1.00 52.54 H new ATOM 0 HE1 MET A 38 9.767 29.625 15.505 1.00 2.33 H new ATOM 0 HE2 MET A 38 8.681 30.130 16.821 1.00 2.33 H new ATOM 0 HE3 MET A 38 9.014 28.402 16.556 1.00 2.33 H new ATOM 575 N LYS A 39 3.742 28.495 18.984 1.00 71.33 N ATOM 576 CA LYS A 39 3.358 27.238 19.615 1.00 62.41 C ATOM 577 C LYS A 39 1.843 27.064 19.606 1.00 31.13 C ATOM 578 O LYS A 39 1.336 25.948 19.488 1.00 32.42 O ATOM 579 CB LYS A 39 3.880 27.184 21.052 1.00 23.33 C ATOM 580 CG LYS A 39 5.336 27.597 21.187 1.00 3.22 C ATOM 581 CD LYS A 39 5.890 27.248 22.558 1.00 1.52 C ATOM 582 CE LYS A 39 7.232 26.541 22.454 1.00 75.14 C ATOM 583 NZ LYS A 39 7.077 25.115 22.048 1.00 0.42 N ATOM 0 H LYS A 39 4.026 29.225 19.637 1.00 71.33 H new ATOM 0 HA LYS A 39 3.802 26.424 19.043 1.00 62.41 H new ATOM 0 HB2 LYS A 39 3.267 27.834 21.677 1.00 23.33 H new ATOM 0 HB3 LYS A 39 3.762 26.170 21.435 1.00 23.33 H new ATOM 0 HG2 LYS A 39 5.928 27.102 20.417 1.00 3.22 H new ATOM 0 HG3 LYS A 39 5.428 28.670 21.019 1.00 3.22 H new ATOM 0 HD2 LYS A 39 6.002 28.157 23.149 1.00 1.52 H new ATOM 0 HD3 LYS A 39 5.181 26.610 23.086 1.00 1.52 H new ATOM 0 HE2 LYS A 39 7.860 27.059 21.729 1.00 75.14 H new ATOM 0 HE3 LYS A 39 7.745 26.592 23.414 1.00 75.14 H new ATOM 0 HZ1 LYS A 39 8.014 24.667 21.988 1.00 0.42 H new ATOM 0 HZ2 LYS A 39 6.498 24.614 22.752 1.00 0.42 H new ATOM 0 HZ3 LYS A 39 6.610 25.067 21.120 1.00 0.42 H new ATOM 597 N LEU A 40 1.125 28.175 19.731 1.00 73.31 N ATOM 598 CA LEU A 40 -0.334 28.146 19.736 1.00 14.42 C ATOM 599 C LEU A 40 -0.870 27.482 18.471 1.00 1.42 C ATOM 600 O LEU A 40 -1.721 26.594 18.537 1.00 42.14 O ATOM 601 CB LEU A 40 -0.892 29.566 19.855 1.00 63.55 C ATOM 602 CG LEU A 40 -2.125 29.730 20.744 1.00 60.51 C ATOM 603 CD1 LEU A 40 -2.503 31.197 20.867 1.00 42.33 C ATOM 604 CD2 LEU A 40 -3.291 28.922 20.192 1.00 62.14 C ATOM 0 H LEU A 40 1.529 29.106 19.830 1.00 73.31 H new ATOM 0 HA LEU A 40 -0.658 27.561 20.597 1.00 14.42 H new ATOM 0 HB2 LEU A 40 -0.104 30.214 20.238 1.00 63.55 H new ATOM 0 HB3 LEU A 40 -1.140 29.923 18.855 1.00 63.55 H new ATOM 0 HG LEU A 40 -1.885 29.353 21.738 1.00 60.51 H new ATOM 0 HD11 LEU A 40 -3.383 31.294 21.503 1.00 42.33 H new ATOM 0 HD12 LEU A 40 -1.674 31.751 21.307 1.00 42.33 H new ATOM 0 HD13 LEU A 40 -2.724 31.600 19.879 1.00 42.33 H new ATOM 0 HD21 LEU A 40 -4.160 29.050 20.837 1.00 62.14 H new ATOM 0 HD22 LEU A 40 -3.531 29.269 19.187 1.00 62.14 H new ATOM 0 HD23 LEU A 40 -3.018 27.867 20.156 1.00 62.14 H new ATOM 616 N CYS A 41 -0.365 27.917 17.322 1.00 14.33 N ATOM 617 CA CYS A 41 -0.792 27.364 16.041 1.00 4.14 C ATOM 618 C CYS A 41 -0.276 25.939 15.865 1.00 4.01 C ATOM 619 O CYS A 41 -1.021 25.044 15.469 1.00 75.05 O ATOM 620 CB CYS A 41 -0.298 28.244 14.892 1.00 72.15 C ATOM 621 SG CYS A 41 -1.233 29.777 14.682 1.00 40.40 S ATOM 0 H CYS A 41 0.340 28.651 17.251 1.00 14.33 H new ATOM 0 HA CYS A 41 -1.882 27.341 16.028 1.00 4.14 H new ATOM 0 HB2 CYS A 41 0.750 28.491 15.062 1.00 72.15 H new ATOM 0 HB3 CYS A 41 -0.345 27.673 13.965 1.00 72.15 H new ATOM 0 HG CYS A 41 -2.498 29.542 14.866 1.00 40.40 H new ATOM 627 N GLU A 42 1.004 25.739 16.162 1.00 64.11 N ATOM 628 CA GLU A 42 1.620 24.422 16.034 1.00 1.14 C ATOM 629 C GLU A 42 0.863 23.385 16.858 1.00 45.20 C ATOM 630 O GLU A 42 0.813 22.209 16.499 1.00 10.21 O ATOM 631 CB GLU A 42 3.083 24.475 16.479 1.00 73.23 C ATOM 632 CG GLU A 42 3.745 23.109 16.553 1.00 24.43 C ATOM 633 CD GLU A 42 5.245 23.198 16.759 1.00 34.31 C ATOM 634 OE1 GLU A 42 5.679 23.301 17.926 1.00 31.11 O ATOM 635 OE2 GLU A 42 5.985 23.164 15.754 1.00 35.24 O ATOM 0 H GLU A 42 1.634 26.470 16.492 1.00 64.11 H new ATOM 0 HA GLU A 42 1.577 24.128 14.985 1.00 1.14 H new ATOM 0 HB2 GLU A 42 3.642 25.104 15.786 1.00 73.23 H new ATOM 0 HB3 GLU A 42 3.140 24.951 17.458 1.00 73.23 H new ATOM 0 HG2 GLU A 42 3.303 22.539 17.370 1.00 24.43 H new ATOM 0 HG3 GLU A 42 3.540 22.560 15.634 1.00 24.43 H new ATOM 642 N GLU A 43 0.277 23.830 17.965 1.00 13.03 N ATOM 643 CA GLU A 43 -0.476 22.940 18.841 1.00 2.34 C ATOM 644 C GLU A 43 -1.636 22.292 18.090 1.00 22.14 C ATOM 645 O GLU A 43 -1.878 21.092 18.217 1.00 41.51 O ATOM 646 CB GLU A 43 -1.004 23.708 20.054 1.00 13.42 C ATOM 647 CG GLU A 43 -0.439 23.220 21.377 1.00 31.35 C ATOM 648 CD GLU A 43 -1.122 23.856 22.572 1.00 2.45 C ATOM 649 OE1 GLU A 43 -0.671 24.937 23.007 1.00 74.24 O ATOM 650 OE2 GLU A 43 -2.106 23.274 23.075 1.00 73.44 O ATOM 0 H GLU A 43 0.309 24.801 18.276 1.00 13.03 H new ATOM 0 HA GLU A 43 0.197 22.154 19.184 1.00 2.34 H new ATOM 0 HB2 GLU A 43 -0.767 24.765 19.935 1.00 13.42 H new ATOM 0 HB3 GLU A 43 -2.091 23.626 20.080 1.00 13.42 H new ATOM 0 HG2 GLU A 43 -0.546 22.137 21.436 1.00 31.35 H new ATOM 0 HG3 GLU A 43 0.628 23.438 21.415 1.00 31.35 H new ATOM 657 N ALA A 44 -2.352 23.096 17.311 1.00 61.23 N ATOM 658 CA ALA A 44 -3.485 22.602 16.540 1.00 73.22 C ATOM 659 C ALA A 44 -3.047 21.537 15.540 1.00 63.55 C ATOM 660 O ALA A 44 -3.697 20.502 15.398 1.00 61.34 O ATOM 661 CB ALA A 44 -4.176 23.751 15.820 1.00 52.35 C ATOM 0 H ALA A 44 -2.167 24.093 17.197 1.00 61.23 H new ATOM 0 HA ALA A 44 -4.191 22.144 17.233 1.00 73.22 H new ATOM 0 HB1 ALA A 44 -5.021 23.367 15.248 1.00 52.35 H new ATOM 0 HB2 ALA A 44 -4.533 24.476 16.551 1.00 52.35 H new ATOM 0 HB3 ALA A 44 -3.470 24.234 15.144 1.00 52.35 H new ATOM 667 N ALA A 45 -1.941 21.799 14.850 1.00 23.44 N ATOM 668 CA ALA A 45 -1.416 20.861 13.866 1.00 31.22 C ATOM 669 C ALA A 45 -0.850 19.616 14.539 1.00 20.54 C ATOM 670 O ALA A 45 -0.790 18.544 13.937 1.00 72.54 O ATOM 671 CB ALA A 45 -0.349 21.533 13.015 1.00 2.50 C ATOM 0 H ALA A 45 -1.392 22.652 14.955 1.00 23.44 H new ATOM 0 HA ALA A 45 -2.239 20.551 13.222 1.00 31.22 H new ATOM 0 HB1 ALA A 45 0.035 20.821 12.284 1.00 2.50 H new ATOM 0 HB2 ALA A 45 -0.783 22.388 12.496 1.00 2.50 H new ATOM 0 HB3 ALA A 45 0.466 21.872 13.654 1.00 2.50 H new ATOM 677 N LYS A 46 -0.438 19.763 15.794 1.00 54.44 N ATOM 678 CA LYS A 46 0.122 18.650 16.551 1.00 22.05 C ATOM 679 C LYS A 46 -0.931 17.575 16.798 1.00 72.51 C ATOM 680 O LYS A 46 -0.647 16.380 16.709 1.00 5.51 O ATOM 681 CB LYS A 46 0.681 19.146 17.887 1.00 41.32 C ATOM 682 CG LYS A 46 2.047 18.573 18.224 1.00 44.41 C ATOM 683 CD LYS A 46 3.141 19.202 17.375 1.00 33.55 C ATOM 684 CE LYS A 46 4.523 18.902 17.935 1.00 14.24 C ATOM 685 NZ LYS A 46 5.393 18.228 16.932 1.00 54.44 N ATOM 0 H LYS A 46 -0.482 20.643 16.308 1.00 54.44 H new ATOM 0 HA LYS A 46 0.930 18.214 15.964 1.00 22.05 H new ATOM 0 HB2 LYS A 46 0.748 20.234 17.862 1.00 41.32 H new ATOM 0 HB3 LYS A 46 -0.018 18.888 18.682 1.00 41.32 H new ATOM 0 HG2 LYS A 46 2.263 18.740 19.279 1.00 44.41 H new ATOM 0 HG3 LYS A 46 2.039 17.494 18.068 1.00 44.41 H new ATOM 0 HD2 LYS A 46 3.072 18.827 16.354 1.00 33.55 H new ATOM 0 HD3 LYS A 46 2.992 20.281 17.329 1.00 33.55 H new ATOM 0 HE2 LYS A 46 4.993 19.831 18.258 1.00 14.24 H new ATOM 0 HE3 LYS A 46 4.428 18.269 18.817 1.00 14.24 H new ATOM 0 HZ1 LYS A 46 6.326 18.040 17.352 1.00 54.44 H new ATOM 0 HZ2 LYS A 46 4.957 17.330 16.642 1.00 54.44 H new ATOM 0 HZ3 LYS A 46 5.505 18.843 16.101 1.00 54.44 H new ATOM 699 N LYS A 47 -2.150 18.006 17.106 1.00 41.14 N ATOM 700 CA LYS A 47 -3.248 17.081 17.361 1.00 65.20 C ATOM 701 C LYS A 47 -3.580 16.271 16.112 1.00 51.31 C ATOM 702 O LYS A 47 -4.084 15.153 16.202 1.00 14.13 O ATOM 703 CB LYS A 47 -4.487 17.845 17.831 1.00 1.32 C ATOM 704 CG LYS A 47 -4.829 17.612 19.293 1.00 73.40 C ATOM 705 CD LYS A 47 -5.091 16.142 19.576 1.00 54.15 C ATOM 706 CE LYS A 47 -6.429 15.937 20.268 1.00 72.33 C ATOM 707 NZ LYS A 47 -6.302 15.997 21.750 1.00 14.50 N ATOM 0 H LYS A 47 -2.402 18.991 17.185 1.00 41.14 H new ATOM 0 HA LYS A 47 -2.934 16.392 18.145 1.00 65.20 H new ATOM 0 HB2 LYS A 47 -4.329 18.911 17.669 1.00 1.32 H new ATOM 0 HB3 LYS A 47 -5.338 17.552 17.217 1.00 1.32 H new ATOM 0 HG2 LYS A 47 -4.010 17.964 19.920 1.00 73.40 H new ATOM 0 HG3 LYS A 47 -5.709 18.197 19.560 1.00 73.40 H new ATOM 0 HD2 LYS A 47 -5.074 15.582 18.641 1.00 54.15 H new ATOM 0 HD3 LYS A 47 -4.292 15.743 20.201 1.00 54.15 H new ATOM 0 HE2 LYS A 47 -7.132 16.700 19.933 1.00 72.33 H new ATOM 0 HE3 LYS A 47 -6.844 14.972 19.978 1.00 72.33 H new ATOM 0 HZ1 LYS A 47 -7.236 15.853 22.185 1.00 14.50 H new ATOM 0 HZ2 LYS A 47 -5.651 15.253 22.073 1.00 14.50 H new ATOM 0 HZ3 LYS A 47 -5.930 16.927 22.029 1.00 14.50 H new ATOM 721 N ALA A 48 -3.291 16.843 14.947 1.00 3.43 N ATOM 722 CA ALA A 48 -3.555 16.173 13.681 1.00 34.22 C ATOM 723 C ALA A 48 -2.554 15.051 13.434 1.00 23.51 C ATOM 724 O ALA A 48 -2.910 13.991 12.918 1.00 4.32 O ATOM 725 CB ALA A 48 -3.521 17.175 12.536 1.00 0.13 C ATOM 0 H ALA A 48 -2.874 17.769 14.855 1.00 3.43 H new ATOM 0 HA ALA A 48 -4.550 15.731 13.733 1.00 34.22 H new ATOM 0 HB1 ALA A 48 -3.720 16.660 11.596 1.00 0.13 H new ATOM 0 HB2 ALA A 48 -4.281 17.940 12.699 1.00 0.13 H new ATOM 0 HB3 ALA A 48 -2.538 17.644 12.492 1.00 0.13 H new ATOM 731 N GLU A 49 -1.300 15.289 13.806 1.00 75.31 N ATOM 732 CA GLU A 49 -0.248 14.297 13.623 1.00 1.32 C ATOM 733 C GLU A 49 -0.449 13.110 14.562 1.00 55.31 C ATOM 734 O GLU A 49 -0.125 11.975 14.219 1.00 60.41 O ATOM 735 CB GLU A 49 1.126 14.927 13.866 1.00 0.14 C ATOM 736 CG GLU A 49 1.459 16.052 12.900 1.00 22.34 C ATOM 737 CD GLU A 49 2.873 15.957 12.361 1.00 14.23 C ATOM 738 OE1 GLU A 49 3.766 16.626 12.921 1.00 0.53 O ATOM 739 OE2 GLU A 49 3.086 15.215 11.380 1.00 14.22 O ATOM 0 H GLU A 49 -0.988 16.160 14.236 1.00 75.31 H new ATOM 0 HA GLU A 49 -0.298 13.937 12.595 1.00 1.32 H new ATOM 0 HB2 GLU A 49 1.165 15.311 14.885 1.00 0.14 H new ATOM 0 HB3 GLU A 49 1.890 14.154 13.787 1.00 0.14 H new ATOM 0 HG2 GLU A 49 0.755 16.032 12.068 1.00 22.34 H new ATOM 0 HG3 GLU A 49 1.330 17.010 13.404 1.00 22.34 H new ATOM 746 N GLU A 50 -0.985 13.386 15.746 1.00 21.31 N ATOM 747 CA GLU A 50 -1.228 12.341 16.735 1.00 43.43 C ATOM 748 C GLU A 50 -2.421 11.478 16.333 1.00 52.12 C ATOM 749 O GLU A 50 -2.460 10.281 16.619 1.00 60.25 O ATOM 750 CB GLU A 50 -1.473 12.959 18.112 1.00 4.53 C ATOM 751 CG GLU A 50 -0.239 13.611 18.716 1.00 74.51 C ATOM 752 CD GLU A 50 0.239 12.905 19.969 1.00 44.32 C ATOM 753 OE1 GLU A 50 -0.531 12.854 20.951 1.00 74.10 O ATOM 754 OE2 GLU A 50 1.383 12.405 19.970 1.00 3.45 O ATOM 0 H GLU A 50 -1.259 14.322 16.044 1.00 21.31 H new ATOM 0 HA GLU A 50 -0.342 11.707 16.781 1.00 43.43 H new ATOM 0 HB2 GLU A 50 -2.264 13.704 18.031 1.00 4.53 H new ATOM 0 HB3 GLU A 50 -1.833 12.185 18.790 1.00 4.53 H new ATOM 0 HG2 GLU A 50 0.563 13.616 17.978 1.00 74.51 H new ATOM 0 HG3 GLU A 50 -0.461 14.652 18.952 1.00 74.51 H new ATOM 761 N LEU A 51 -3.392 12.095 15.669 1.00 20.42 N ATOM 762 CA LEU A 51 -4.587 11.385 15.227 1.00 15.23 C ATOM 763 C LEU A 51 -4.274 10.474 14.045 1.00 21.22 C ATOM 764 O LEU A 51 -4.915 9.440 13.858 1.00 64.33 O ATOM 765 CB LEU A 51 -5.683 12.381 14.842 1.00 61.32 C ATOM 766 CG LEU A 51 -6.531 12.924 15.992 1.00 62.32 C ATOM 767 CD1 LEU A 51 -7.518 13.963 15.484 1.00 4.14 C ATOM 768 CD2 LEU A 51 -7.264 11.790 16.696 1.00 2.24 C ATOM 0 H LEU A 51 -3.375 13.085 15.425 1.00 20.42 H new ATOM 0 HA LEU A 51 -4.939 10.768 16.054 1.00 15.23 H new ATOM 0 HB2 LEU A 51 -5.217 13.224 14.331 1.00 61.32 H new ATOM 0 HB3 LEU A 51 -6.347 11.900 14.123 1.00 61.32 H new ATOM 0 HG LEU A 51 -5.868 13.404 16.711 1.00 62.32 H new ATOM 0 HD11 LEU A 51 -8.113 14.338 16.317 1.00 4.14 H new ATOM 0 HD12 LEU A 51 -6.973 14.789 15.026 1.00 4.14 H new ATOM 0 HD13 LEU A 51 -8.176 13.508 14.744 1.00 4.14 H new ATOM 0 HD21 LEU A 51 -7.863 12.195 17.512 1.00 2.24 H new ATOM 0 HD22 LEU A 51 -7.916 11.281 15.985 1.00 2.24 H new ATOM 0 HD23 LEU A 51 -6.539 11.081 17.095 1.00 2.24 H new ATOM 780 N PHE A 52 -3.282 10.864 13.251 1.00 73.43 N ATOM 781 CA PHE A 52 -2.883 10.082 12.087 1.00 41.03 C ATOM 782 C PHE A 52 -2.508 8.658 12.490 1.00 33.12 C ATOM 783 O PHE A 52 -2.726 7.709 11.737 1.00 23.33 O ATOM 784 CB PHE A 52 -1.703 10.750 11.378 1.00 72.33 C ATOM 785 CG PHE A 52 -1.954 11.021 9.922 1.00 64.24 C ATOM 786 CD1 PHE A 52 -2.029 9.978 9.013 1.00 75.14 C ATOM 787 CD2 PHE A 52 -2.113 12.318 9.462 1.00 50.15 C ATOM 788 CE1 PHE A 52 -2.261 10.223 7.672 1.00 52.24 C ATOM 789 CE2 PHE A 52 -2.344 12.569 8.123 1.00 14.33 C ATOM 790 CZ PHE A 52 -2.418 11.521 7.227 1.00 43.42 C ATOM 0 H PHE A 52 -2.740 11.716 13.393 1.00 73.43 H new ATOM 0 HA PHE A 52 -3.731 10.036 11.404 1.00 41.03 H new ATOM 0 HB2 PHE A 52 -1.473 11.690 11.880 1.00 72.33 H new ATOM 0 HB3 PHE A 52 -0.824 10.113 11.475 1.00 72.33 H new ATOM 0 HD1 PHE A 52 -1.905 8.961 9.356 1.00 75.14 H new ATOM 0 HD2 PHE A 52 -2.056 13.142 10.158 1.00 50.15 H new ATOM 0 HE1 PHE A 52 -2.319 9.401 6.974 1.00 52.24 H new ATOM 0 HE2 PHE A 52 -2.467 13.585 7.777 1.00 14.33 H new ATOM 0 HZ PHE A 52 -2.598 11.716 6.180 1.00 43.42 H new ATOM 800 N LYS A 53 -1.943 8.518 13.684 1.00 24.03 N ATOM 801 CA LYS A 53 -1.538 7.212 14.191 1.00 3.52 C ATOM 802 C LYS A 53 -2.737 6.277 14.305 1.00 30.20 C ATOM 803 O LYS A 53 -2.683 5.125 13.873 1.00 35.40 O ATOM 804 CB LYS A 53 -0.860 7.359 15.555 1.00 21.44 C ATOM 805 CG LYS A 53 -0.336 6.049 16.118 1.00 1.33 C ATOM 806 CD LYS A 53 1.158 6.117 16.387 1.00 4.32 C ATOM 807 CE LYS A 53 1.447 6.475 17.836 1.00 42.42 C ATOM 808 NZ LYS A 53 2.395 7.619 17.946 1.00 42.24 N ATOM 0 H LYS A 53 -1.755 9.293 14.319 1.00 24.03 H new ATOM 0 HA LYS A 53 -0.829 6.780 13.485 1.00 3.52 H new ATOM 0 HB2 LYS A 53 -0.033 8.063 15.466 1.00 21.44 H new ATOM 0 HB3 LYS A 53 -1.571 7.789 16.260 1.00 21.44 H new ATOM 0 HG2 LYS A 53 -0.863 5.812 17.042 1.00 1.33 H new ATOM 0 HG3 LYS A 53 -0.544 5.241 15.417 1.00 1.33 H new ATOM 0 HD2 LYS A 53 1.616 5.156 16.150 1.00 4.32 H new ATOM 0 HD3 LYS A 53 1.614 6.858 15.730 1.00 4.32 H new ATOM 0 HE2 LYS A 53 0.514 6.726 18.341 1.00 42.42 H new ATOM 0 HE3 LYS A 53 1.863 5.608 18.348 1.00 42.42 H new ATOM 0 HZ1 LYS A 53 2.567 7.832 18.949 1.00 42.24 H new ATOM 0 HZ2 LYS A 53 3.294 7.370 17.486 1.00 42.24 H new ATOM 0 HZ3 LYS A 53 1.987 8.454 17.479 1.00 42.24 H new ATOM 822 N LEU A 54 -3.820 6.780 14.888 1.00 23.44 N ATOM 823 CA LEU A 54 -5.034 5.989 15.058 1.00 23.41 C ATOM 824 C LEU A 54 -5.814 5.901 13.750 1.00 61.33 C ATOM 825 O LEU A 54 -6.450 4.887 13.463 1.00 14.14 O ATOM 826 CB LEU A 54 -5.915 6.599 16.150 1.00 13.55 C ATOM 827 CG LEU A 54 -5.601 6.171 17.584 1.00 11.12 C ATOM 828 CD1 LEU A 54 -4.831 7.262 18.311 1.00 31.21 C ATOM 829 CD2 LEU A 54 -6.882 5.831 18.332 1.00 14.31 C ATOM 0 H LEU A 54 -3.882 7.731 15.251 1.00 23.44 H new ATOM 0 HA LEU A 54 -4.743 4.981 15.355 1.00 23.41 H new ATOM 0 HB2 LEU A 54 -5.834 7.684 16.090 1.00 13.55 H new ATOM 0 HB3 LEU A 54 -6.953 6.345 15.935 1.00 13.55 H new ATOM 0 HG LEU A 54 -4.977 5.278 17.547 1.00 11.12 H new ATOM 0 HD11 LEU A 54 -4.617 6.939 19.330 1.00 31.21 H new ATOM 0 HD12 LEU A 54 -3.895 7.457 17.788 1.00 31.21 H new ATOM 0 HD13 LEU A 54 -5.429 8.173 18.337 1.00 31.21 H new ATOM 0 HD21 LEU A 54 -6.639 5.529 19.351 1.00 14.31 H new ATOM 0 HD22 LEU A 54 -7.531 6.706 18.358 1.00 14.31 H new ATOM 0 HD23 LEU A 54 -7.394 5.014 17.823 1.00 14.31 H new ATOM 841 N ALA A 55 -5.757 6.968 12.960 1.00 3.34 N ATOM 842 CA ALA A 55 -6.454 7.010 11.681 1.00 23.40 C ATOM 843 C ALA A 55 -5.947 5.918 10.745 1.00 32.51 C ATOM 844 O ALA A 55 -6.690 5.418 9.901 1.00 32.34 O ATOM 845 CB ALA A 55 -6.292 8.378 11.036 1.00 54.12 C ATOM 0 H ALA A 55 -5.235 7.815 13.184 1.00 3.34 H new ATOM 0 HA ALA A 55 -7.513 6.832 11.866 1.00 23.40 H new ATOM 0 HB1 ALA A 55 -6.818 8.395 10.081 1.00 54.12 H new ATOM 0 HB2 ALA A 55 -6.708 9.142 11.693 1.00 54.12 H new ATOM 0 HB3 ALA A 55 -5.234 8.579 10.871 1.00 54.12 H new ATOM 851 N GLU A 56 -4.678 5.554 10.899 1.00 31.22 N ATOM 852 CA GLU A 56 -4.072 4.522 10.066 1.00 34.40 C ATOM 853 C GLU A 56 -4.695 3.158 10.350 1.00 62.30 C ATOM 854 O GLU A 56 -5.055 2.424 9.430 1.00 3.13 O ATOM 855 CB GLU A 56 -2.562 4.465 10.301 1.00 50.14 C ATOM 856 CG GLU A 56 -1.742 4.604 9.030 1.00 52.53 C ATOM 857 CD GLU A 56 -0.515 5.474 9.219 1.00 62.10 C ATOM 858 OE1 GLU A 56 0.284 5.181 10.134 1.00 74.11 O ATOM 859 OE2 GLU A 56 -0.352 6.446 8.454 1.00 53.51 O ATOM 0 H GLU A 56 -4.049 5.959 11.593 1.00 31.22 H new ATOM 0 HA GLU A 56 -4.259 4.778 9.023 1.00 34.40 H new ATOM 0 HB2 GLU A 56 -2.281 5.258 10.993 1.00 50.14 H new ATOM 0 HB3 GLU A 56 -2.313 3.519 10.782 1.00 50.14 H new ATOM 0 HG2 GLU A 56 -1.433 3.615 8.692 1.00 52.53 H new ATOM 0 HG3 GLU A 56 -2.366 5.029 8.244 1.00 52.53 H new ATOM 866 N GLU A 57 -4.816 2.826 11.631 1.00 24.42 N ATOM 867 CA GLU A 57 -5.392 1.549 12.038 1.00 32.22 C ATOM 868 C GLU A 57 -6.886 1.505 11.732 1.00 34.42 C ATOM 869 O GLU A 57 -7.457 0.434 11.523 1.00 51.20 O ATOM 870 CB GLU A 57 -5.160 1.311 13.531 1.00 1.30 C ATOM 871 CG GLU A 57 -4.101 0.261 13.824 1.00 54.54 C ATOM 872 CD GLU A 57 -2.881 0.840 14.513 1.00 62.30 C ATOM 873 OE1 GLU A 57 -1.860 1.058 13.827 1.00 62.13 O ATOM 874 OE2 GLU A 57 -2.946 1.074 15.738 1.00 20.03 O ATOM 0 H GLU A 57 -4.523 3.423 12.405 1.00 24.42 H new ATOM 0 HA GLU A 57 -4.898 0.760 11.471 1.00 32.22 H new ATOM 0 HB2 GLU A 57 -4.867 2.251 13.999 1.00 1.30 H new ATOM 0 HB3 GLU A 57 -6.099 1.005 13.992 1.00 1.30 H new ATOM 0 HG2 GLU A 57 -4.532 -0.519 14.451 1.00 54.54 H new ATOM 0 HG3 GLU A 57 -3.796 -0.213 12.891 1.00 54.54 H new ATOM 881 N ARG A 58 -7.515 2.677 11.707 1.00 71.25 N ATOM 882 CA ARG A 58 -8.943 2.772 11.427 1.00 45.13 C ATOM 883 C ARG A 58 -9.207 2.721 9.926 1.00 72.50 C ATOM 884 O ARG A 58 -9.668 1.705 9.400 1.00 52.32 O ATOM 885 CB ARG A 58 -9.512 4.065 12.012 1.00 4.02 C ATOM 886 CG ARG A 58 -10.138 3.889 13.386 1.00 64.10 C ATOM 887 CD ARG A 58 -11.439 3.106 13.310 1.00 72.11 C ATOM 888 NE ARG A 58 -12.434 3.778 12.480 1.00 11.35 N ATOM 889 CZ ARG A 58 -13.481 3.162 11.941 1.00 42.12 C ATOM 890 NH1 ARG A 58 -13.666 1.864 12.145 1.00 55.54 N ATOM 891 NH2 ARG A 58 -14.343 3.843 11.198 1.00 62.02 N ATOM 0 H ARG A 58 -7.058 3.573 11.877 1.00 71.25 H new ATOM 0 HA ARG A 58 -9.438 1.920 11.894 1.00 45.13 H new ATOM 0 HB2 ARG A 58 -8.715 4.806 12.078 1.00 4.02 H new ATOM 0 HB3 ARG A 58 -10.262 4.464 11.329 1.00 4.02 H new ATOM 0 HG2 ARG A 58 -9.438 3.371 14.042 1.00 64.10 H new ATOM 0 HG3 ARG A 58 -10.326 4.867 13.829 1.00 64.10 H new ATOM 0 HD2 ARG A 58 -11.241 2.113 12.907 1.00 72.11 H new ATOM 0 HD3 ARG A 58 -11.838 2.968 14.315 1.00 72.11 H new ATOM 0 HE ARG A 58 -12.319 4.776 12.304 1.00 11.35 H new ATOM 0 HH11 ARG A 58 -13.004 1.338 12.716 1.00 55.54 H new ATOM 0 HH12 ARG A 58 -14.470 1.392 11.731 1.00 55.54 H new ATOM 0 HH21 ARG A 58 -14.203 4.841 11.040 1.00 62.02 H new ATOM 0 HH22 ARG A 58 -15.146 3.369 10.785 1.00 62.02 H new ATOM 905 N LEU A 59 -8.915 3.820 9.241 1.00 62.15 N ATOM 906 CA LEU A 59 -9.122 3.901 7.799 1.00 54.11 C ATOM 907 C LEU A 59 -8.441 2.737 7.085 1.00 52.50 C ATOM 908 O LEU A 59 -8.981 2.180 6.129 1.00 63.31 O ATOM 909 CB LEU A 59 -8.586 5.229 7.261 1.00 72.55 C ATOM 910 CG LEU A 59 -9.538 6.422 7.347 1.00 24.14 C ATOM 911 CD1 LEU A 59 -9.784 6.803 8.799 1.00 0.41 C ATOM 912 CD2 LEU A 59 -8.983 7.606 6.570 1.00 71.32 C ATOM 0 H LEU A 59 -8.534 4.668 9.660 1.00 62.15 H new ATOM 0 HA LEU A 59 -10.193 3.844 7.606 1.00 54.11 H new ATOM 0 HB2 LEU A 59 -7.675 5.477 7.805 1.00 72.55 H new ATOM 0 HB3 LEU A 59 -8.305 5.088 6.217 1.00 72.55 H new ATOM 0 HG LEU A 59 -10.490 6.136 6.900 1.00 24.14 H new ATOM 0 HD11 LEU A 59 -10.464 7.654 8.842 1.00 0.41 H new ATOM 0 HD12 LEU A 59 -10.226 5.958 9.327 1.00 0.41 H new ATOM 0 HD13 LEU A 59 -8.838 7.070 9.270 1.00 0.41 H new ATOM 0 HD21 LEU A 59 -9.674 8.445 6.643 1.00 71.32 H new ATOM 0 HD22 LEU A 59 -8.018 7.894 6.986 1.00 71.32 H new ATOM 0 HD23 LEU A 59 -8.859 7.328 5.523 1.00 71.32 H new ATOM 1049 N LEU B 4 -3.366 42.714 12.858 1.00 51.02 N ATOM 1050 CA LEU B 4 -2.693 41.421 12.798 1.00 21.12 C ATOM 1051 C LEU B 4 -3.365 40.414 13.726 1.00 3.40 C ATOM 1052 O LEU B 4 -3.511 39.241 13.383 1.00 65.12 O ATOM 1053 CB LEU B 4 -1.218 41.574 13.176 1.00 74.11 C ATOM 1054 CG LEU B 4 -0.930 42.369 14.449 1.00 4.21 C ATOM 1055 CD1 LEU B 4 -0.327 41.469 15.516 1.00 64.21 C ATOM 1056 CD2 LEU B 4 -0.003 43.538 14.149 1.00 4.13 C ATOM 0 HA LEU B 4 -2.764 41.049 11.776 1.00 21.12 H new ATOM 0 HB2 LEU B 4 -0.787 40.579 13.288 1.00 74.11 H new ATOM 0 HB3 LEU B 4 -0.699 42.054 12.347 1.00 74.11 H new ATOM 0 HG LEU B 4 -1.872 42.765 14.828 1.00 4.21 H new ATOM 0 HD11 LEU B 4 -0.129 42.053 16.415 1.00 64.21 H new ATOM 0 HD12 LEU B 4 -1.025 40.666 15.752 1.00 64.21 H new ATOM 0 HD13 LEU B 4 0.606 41.042 15.147 1.00 64.21 H new ATOM 0 HD21 LEU B 4 0.191 44.093 15.067 1.00 4.13 H new ATOM 0 HD22 LEU B 4 0.938 43.162 13.746 1.00 4.13 H new ATOM 0 HD23 LEU B 4 -0.473 44.197 13.419 1.00 4.13 H new ATOM 1068 N ARG B 5 -3.775 40.882 14.901 1.00 71.30 N ATOM 1069 CA ARG B 5 -4.433 40.021 15.877 1.00 2.45 C ATOM 1070 C ARG B 5 -5.744 39.473 15.322 1.00 42.03 C ATOM 1071 O ARG B 5 -5.995 38.270 15.376 1.00 31.40 O ATOM 1072 CB ARG B 5 -4.699 40.794 17.171 1.00 72.34 C ATOM 1073 CG ARG B 5 -3.680 40.519 18.265 1.00 72.24 C ATOM 1074 CD ARG B 5 -2.650 41.634 18.360 1.00 63.54 C ATOM 1075 NE ARG B 5 -2.976 42.592 19.412 1.00 65.21 N ATOM 1076 CZ ARG B 5 -2.885 42.317 20.709 1.00 14.34 C ATOM 1077 NH1 ARG B 5 -2.480 41.121 21.112 1.00 74.33 N ATOM 1078 NH2 ARG B 5 -3.200 43.243 21.608 1.00 72.22 N ATOM 0 H ARG B 5 -3.663 41.851 15.200 1.00 71.30 H new ATOM 0 HA ARG B 5 -3.770 39.183 16.091 1.00 2.45 H new ATOM 0 HB2 ARG B 5 -4.705 41.862 16.952 1.00 72.34 H new ATOM 0 HB3 ARG B 5 -5.693 40.539 17.539 1.00 72.34 H new ATOM 0 HG2 ARG B 5 -4.191 40.412 19.222 1.00 72.24 H new ATOM 0 HG3 ARG B 5 -3.177 39.573 18.065 1.00 72.24 H new ATOM 0 HD2 ARG B 5 -1.667 41.204 18.553 1.00 63.54 H new ATOM 0 HD3 ARG B 5 -2.588 42.153 17.403 1.00 63.54 H new ATOM 0 HE ARG B 5 -3.291 43.522 19.137 1.00 65.21 H new ATOM 0 HH11 ARG B 5 -2.237 40.407 20.426 1.00 74.33 H new ATOM 0 HH12 ARG B 5 -2.412 40.915 22.109 1.00 74.33 H new ATOM 0 HH21 ARG B 5 -3.512 44.165 21.303 1.00 72.22 H new ATOM 0 HH22 ARG B 5 -3.130 43.032 22.603 1.00 72.22 H new ATOM 1092 N GLU B 6 -6.575 40.363 14.790 1.00 55.53 N ATOM 1093 CA GLU B 6 -7.860 39.968 14.227 1.00 73.34 C ATOM 1094 C GLU B 6 -7.666 39.077 13.002 1.00 14.35 C ATOM 1095 O GLU B 6 -8.431 38.142 12.776 1.00 61.31 O ATOM 1096 CB GLU B 6 -8.679 41.203 13.848 1.00 50.43 C ATOM 1097 CG GLU B 6 -10.071 40.878 13.335 1.00 73.30 C ATOM 1098 CD GLU B 6 -10.773 39.829 14.176 1.00 45.30 C ATOM 1099 OE1 GLU B 6 -10.988 38.708 13.669 1.00 31.03 O ATOM 1100 OE2 GLU B 6 -11.105 40.129 15.342 1.00 33.21 O ATOM 0 H GLU B 6 -6.381 41.363 14.737 1.00 55.53 H new ATOM 0 HA GLU B 6 -8.401 39.402 14.986 1.00 73.34 H new ATOM 0 HB2 GLU B 6 -8.765 41.853 14.719 1.00 50.43 H new ATOM 0 HB3 GLU B 6 -8.141 41.764 13.084 1.00 50.43 H new ATOM 0 HG2 GLU B 6 -10.671 41.788 13.321 1.00 73.30 H new ATOM 0 HG3 GLU B 6 -10.002 40.526 12.306 1.00 73.30 H new ATOM 1107 N GLU B 7 -6.638 39.379 12.215 1.00 61.02 N ATOM 1108 CA GLU B 7 -6.344 38.608 11.013 1.00 3.12 C ATOM 1109 C GLU B 7 -6.064 37.148 11.359 1.00 12.11 C ATOM 1110 O GLU B 7 -6.504 36.238 10.657 1.00 23.33 O ATOM 1111 CB GLU B 7 -5.146 39.207 10.275 1.00 13.34 C ATOM 1112 CG GLU B 7 -5.149 38.927 8.782 1.00 2.31 C ATOM 1113 CD GLU B 7 -6.226 39.699 8.045 1.00 62.00 C ATOM 1114 OE1 GLU B 7 -6.795 40.639 8.641 1.00 62.14 O ATOM 1115 OE2 GLU B 7 -6.502 39.364 6.875 1.00 53.30 O ATOM 0 H GLU B 7 -5.995 40.152 12.388 1.00 61.02 H new ATOM 0 HA GLU B 7 -7.218 38.649 10.363 1.00 3.12 H new ATOM 0 HB2 GLU B 7 -5.134 40.285 10.434 1.00 13.34 H new ATOM 0 HB3 GLU B 7 -4.228 38.811 10.709 1.00 13.34 H new ATOM 0 HG2 GLU B 7 -4.175 39.184 8.366 1.00 2.31 H new ATOM 0 HG3 GLU B 7 -5.295 37.860 8.617 1.00 2.31 H new ATOM 1122 N ALA B 8 -5.328 36.933 12.445 1.00 50.31 N ATOM 1123 CA ALA B 8 -4.990 35.586 12.884 1.00 60.53 C ATOM 1124 C ALA B 8 -6.243 34.795 13.242 1.00 72.42 C ATOM 1125 O ALA B 8 -6.465 33.699 12.726 1.00 74.01 O ATOM 1126 CB ALA B 8 -4.041 35.641 14.073 1.00 31.21 C ATOM 0 H ALA B 8 -4.955 37.675 13.037 1.00 50.31 H new ATOM 0 HA ALA B 8 -4.493 35.076 12.059 1.00 60.53 H new ATOM 0 HB1 ALA B 8 -3.797 34.627 14.391 1.00 31.21 H new ATOM 0 HB2 ALA B 8 -3.127 36.161 13.786 1.00 31.21 H new ATOM 0 HB3 ALA B 8 -4.519 36.174 14.895 1.00 31.21 H new ATOM 1132 N ALA B 9 -7.059 35.355 14.128 1.00 32.12 N ATOM 1133 CA ALA B 9 -8.291 34.702 14.553 1.00 22.02 C ATOM 1134 C ALA B 9 -9.158 34.332 13.354 1.00 42.31 C ATOM 1135 O ALA B 9 -9.897 33.348 13.389 1.00 64.34 O ATOM 1136 CB ALA B 9 -9.063 35.600 15.508 1.00 64.10 C ATOM 0 H ALA B 9 -6.889 36.260 14.566 1.00 32.12 H new ATOM 0 HA ALA B 9 -8.024 33.782 15.073 1.00 22.02 H new ATOM 0 HB1 ALA B 9 -9.981 35.099 15.817 1.00 64.10 H new ATOM 0 HB2 ALA B 9 -8.451 35.810 16.385 1.00 64.10 H new ATOM 0 HB3 ALA B 9 -9.311 36.536 15.007 1.00 64.10 H new ATOM 1142 N LYS B 10 -9.064 35.127 12.294 1.00 23.12 N ATOM 1143 CA LYS B 10 -9.839 34.885 11.083 1.00 63.30 C ATOM 1144 C LYS B 10 -9.274 33.701 10.305 1.00 15.22 C ATOM 1145 O LYS B 10 -10.023 32.886 9.764 1.00 32.15 O ATOM 1146 CB LYS B 10 -9.848 36.133 10.199 1.00 24.12 C ATOM 1147 CG LYS B 10 -10.466 35.905 8.831 1.00 54.55 C ATOM 1148 CD LYS B 10 -9.434 36.043 7.724 1.00 75.43 C ATOM 1149 CE LYS B 10 -9.823 35.232 6.497 1.00 70.42 C ATOM 1150 NZ LYS B 10 -10.380 36.091 5.417 1.00 34.41 N ATOM 0 H LYS B 10 -8.458 35.946 12.249 1.00 23.12 H new ATOM 0 HA LYS B 10 -10.862 34.650 11.377 1.00 63.30 H new ATOM 0 HB2 LYS B 10 -10.397 36.925 10.709 1.00 24.12 H new ATOM 0 HB3 LYS B 10 -8.824 36.485 10.072 1.00 24.12 H new ATOM 0 HG2 LYS B 10 -10.911 34.911 8.793 1.00 54.55 H new ATOM 0 HG3 LYS B 10 -11.272 36.622 8.670 1.00 54.55 H new ATOM 0 HD2 LYS B 10 -9.331 37.093 7.450 1.00 75.43 H new ATOM 0 HD3 LYS B 10 -8.462 35.711 8.088 1.00 75.43 H new ATOM 0 HE2 LYS B 10 -8.949 34.699 6.122 1.00 70.42 H new ATOM 0 HE3 LYS B 10 -10.559 34.479 6.778 1.00 70.42 H new ATOM 0 HZ1 LYS B 10 -10.632 35.500 4.599 1.00 34.41 H new ATOM 0 HZ2 LYS B 10 -11.229 36.581 5.766 1.00 34.41 H new ATOM 0 HZ3 LYS B 10 -9.669 36.793 5.130 1.00 34.41 H new ATOM 1164 N LEU B 11 -7.950 33.612 10.251 1.00 61.43 N ATOM 1165 CA LEU B 11 -7.284 32.526 9.539 1.00 23.22 C ATOM 1166 C LEU B 11 -7.653 31.174 10.140 1.00 72.42 C ATOM 1167 O LEU B 11 -7.716 30.166 9.435 1.00 20.52 O ATOM 1168 CB LEU B 11 -5.767 32.719 9.579 1.00 33.22 C ATOM 1169 CG LEU B 11 -5.091 33.001 8.237 1.00 72.23 C ATOM 1170 CD1 LEU B 11 -5.166 34.483 7.902 1.00 23.34 C ATOM 1171 CD2 LEU B 11 -3.643 32.530 8.260 1.00 14.44 C ATOM 0 H LEU B 11 -7.316 34.278 10.692 1.00 61.43 H new ATOM 0 HA LEU B 11 -7.619 32.545 8.502 1.00 23.22 H new ATOM 0 HB2 LEU B 11 -5.543 33.543 10.256 1.00 33.22 H new ATOM 0 HB3 LEU B 11 -5.318 31.823 10.008 1.00 33.22 H new ATOM 0 HG LEU B 11 -5.620 32.447 7.462 1.00 72.23 H new ATOM 0 HD11 LEU B 11 -4.680 34.664 6.944 1.00 23.34 H new ATOM 0 HD12 LEU B 11 -6.210 34.790 7.843 1.00 23.34 H new ATOM 0 HD13 LEU B 11 -4.662 35.058 8.679 1.00 23.34 H new ATOM 0 HD21 LEU B 11 -3.177 32.739 7.297 1.00 14.44 H new ATOM 0 HD22 LEU B 11 -3.102 33.056 9.046 1.00 14.44 H new ATOM 0 HD23 LEU B 11 -3.612 31.458 8.453 1.00 14.44 H new ATOM 1183 N PHE B 12 -7.897 31.159 11.447 1.00 15.32 N ATOM 1184 CA PHE B 12 -8.261 29.930 12.142 1.00 1.43 C ATOM 1185 C PHE B 12 -9.478 29.279 11.494 1.00 62.23 C ATOM 1186 O PHE B 12 -9.562 28.054 11.400 1.00 14.33 O ATOM 1187 CB PHE B 12 -8.550 30.222 13.617 1.00 71.34 C ATOM 1188 CG PHE B 12 -7.327 30.170 14.489 1.00 71.13 C ATOM 1189 CD1 PHE B 12 -6.155 30.797 14.098 1.00 64.25 C ATOM 1190 CD2 PHE B 12 -7.351 29.493 15.697 1.00 2.42 C ATOM 1191 CE1 PHE B 12 -5.029 30.751 14.898 1.00 51.42 C ATOM 1192 CE2 PHE B 12 -6.227 29.446 16.501 1.00 23.50 C ATOM 1193 CZ PHE B 12 -5.064 30.074 16.101 1.00 32.44 C ATOM 0 H PHE B 12 -7.849 31.984 12.045 1.00 15.32 H new ATOM 0 HA PHE B 12 -7.421 29.239 12.072 1.00 1.43 H new ATOM 0 HB2 PHE B 12 -9.005 31.209 13.701 1.00 71.34 H new ATOM 0 HB3 PHE B 12 -9.280 29.502 13.986 1.00 71.34 H new ATOM 0 HD1 PHE B 12 -6.121 31.327 13.158 1.00 64.25 H new ATOM 0 HD2 PHE B 12 -8.256 28.997 16.014 1.00 2.42 H new ATOM 0 HE1 PHE B 12 -4.122 31.245 14.582 1.00 51.42 H new ATOM 0 HE2 PHE B 12 -6.259 28.918 17.442 1.00 23.50 H new ATOM 0 HZ PHE B 12 -4.185 30.036 16.727 1.00 32.44 H new ATOM 1203 N GLU B 13 -10.419 30.105 11.048 1.00 43.03 N ATOM 1204 CA GLU B 13 -11.632 29.609 10.410 1.00 62.51 C ATOM 1205 C GLU B 13 -11.299 28.835 9.137 1.00 65.43 C ATOM 1206 O GLU B 13 -12.005 27.897 8.767 1.00 45.11 O ATOM 1207 CB GLU B 13 -12.575 30.768 10.083 1.00 53.30 C ATOM 1208 CG GLU B 13 -13.933 30.323 9.570 1.00 62.31 C ATOM 1209 CD GLU B 13 -14.080 30.506 8.072 1.00 71.51 C ATOM 1210 OE1 GLU B 13 -14.822 31.420 7.656 1.00 1.04 O ATOM 1211 OE2 GLU B 13 -13.454 29.734 7.316 1.00 54.14 O ATOM 0 H GLU B 13 -10.364 31.121 11.117 1.00 43.03 H new ATOM 0 HA GLU B 13 -12.128 28.934 11.107 1.00 62.51 H new ATOM 0 HB2 GLU B 13 -12.715 31.374 10.978 1.00 53.30 H new ATOM 0 HB3 GLU B 13 -12.105 31.407 9.335 1.00 53.30 H new ATOM 0 HG2 GLU B 13 -14.086 29.273 9.821 1.00 62.31 H new ATOM 0 HG3 GLU B 13 -14.713 30.889 10.080 1.00 62.31 H new ATOM 1218 N GLU B 14 -10.220 29.237 8.473 1.00 61.30 N ATOM 1219 CA GLU B 14 -9.795 28.582 7.241 1.00 23.11 C ATOM 1220 C GLU B 14 -9.682 27.073 7.438 1.00 44.33 C ATOM 1221 O GLU B 14 -10.049 26.292 6.560 1.00 12.22 O ATOM 1222 CB GLU B 14 -8.453 29.149 6.773 1.00 63.51 C ATOM 1223 CG GLU B 14 -8.460 30.657 6.588 1.00 33.24 C ATOM 1224 CD GLU B 14 -9.395 31.104 5.481 1.00 31.13 C ATOM 1225 OE1 GLU B 14 -8.898 31.603 4.450 1.00 45.31 O ATOM 1226 OE2 GLU B 14 -10.625 30.956 5.645 1.00 62.24 O ATOM 0 H GLU B 14 -9.625 30.012 8.767 1.00 61.30 H new ATOM 0 HA GLU B 14 -10.549 28.775 6.478 1.00 23.11 H new ATOM 0 HB2 GLU B 14 -7.684 28.884 7.498 1.00 63.51 H new ATOM 0 HB3 GLU B 14 -8.178 28.677 5.830 1.00 63.51 H new ATOM 0 HG2 GLU B 14 -8.756 31.133 7.523 1.00 33.24 H new ATOM 0 HG3 GLU B 14 -7.449 30.997 6.364 1.00 33.24 H new ATOM 1233 N TRP B 15 -9.170 26.670 8.595 1.00 52.21 N ATOM 1234 CA TRP B 15 -9.007 25.255 8.908 1.00 51.01 C ATOM 1235 C TRP B 15 -10.345 24.527 8.847 1.00 21.23 C ATOM 1236 O TRP B 15 -10.456 23.460 8.244 1.00 23.13 O ATOM 1237 CB TRP B 15 -8.382 25.086 10.293 1.00 2.44 C ATOM 1238 CG TRP B 15 -7.120 25.873 10.476 1.00 14.10 C ATOM 1239 CD1 TRP B 15 -6.238 26.246 9.502 1.00 60.50 C ATOM 1240 CD2 TRP B 15 -6.597 26.382 11.708 1.00 13.23 C ATOM 1241 NE1 TRP B 15 -5.199 26.955 10.054 1.00 12.40 N ATOM 1242 CE2 TRP B 15 -5.397 27.055 11.406 1.00 73.33 C ATOM 1243 CE3 TRP B 15 -7.029 26.338 13.037 1.00 54.44 C ATOM 1244 CZ2 TRP B 15 -4.625 27.675 12.384 1.00 62.44 C ATOM 1245 CZ3 TRP B 15 -6.261 26.953 14.007 1.00 12.51 C ATOM 1246 CH2 TRP B 15 -5.070 27.615 13.677 1.00 23.01 C ATOM 0 H TRP B 15 -8.860 27.303 9.332 1.00 52.21 H new ATOM 0 HA TRP B 15 -8.343 24.818 8.163 1.00 51.01 H new ATOM 0 HB2 TRP B 15 -9.105 25.391 11.049 1.00 2.44 H new ATOM 0 HB3 TRP B 15 -8.171 24.030 10.462 1.00 2.44 H new ATOM 0 HD1 TRP B 15 -6.342 26.017 8.452 1.00 60.50 H new ATOM 0 HE1 TRP B 15 -4.408 27.344 9.541 1.00 12.40 H new ATOM 0 HE3 TRP B 15 -7.946 25.833 13.301 1.00 54.44 H new ATOM 0 HZ2 TRP B 15 -3.707 28.185 12.132 1.00 62.44 H new ATOM 0 HZ3 TRP B 15 -6.584 26.923 15.037 1.00 12.51 H new ATOM 0 HH2 TRP B 15 -4.492 28.087 14.458 1.00 23.01 H new ATOM 1257 N LYS B 16 -11.359 25.110 9.477 1.00 34.12 N ATOM 1258 CA LYS B 16 -12.692 24.518 9.494 1.00 31.41 C ATOM 1259 C LYS B 16 -13.279 24.458 8.087 1.00 71.24 C ATOM 1260 O LYS B 16 -14.090 23.585 7.778 1.00 62.12 O ATOM 1261 CB LYS B 16 -13.618 25.320 10.410 1.00 43.21 C ATOM 1262 CG LYS B 16 -13.376 25.071 11.889 1.00 71.22 C ATOM 1263 CD LYS B 16 -13.787 26.268 12.731 1.00 43.44 C ATOM 1264 CE LYS B 16 -15.293 26.477 12.705 1.00 71.31 C ATOM 1265 NZ LYS B 16 -15.715 27.584 13.608 1.00 71.53 N ATOM 0 H LYS B 16 -11.283 25.992 9.983 1.00 34.12 H new ATOM 0 HA LYS B 16 -12.605 23.501 9.876 1.00 31.41 H new ATOM 0 HB2 LYS B 16 -13.489 26.382 10.203 1.00 43.21 H new ATOM 0 HB3 LYS B 16 -14.653 25.073 10.173 1.00 43.21 H new ATOM 0 HG2 LYS B 16 -13.936 24.192 12.207 1.00 71.22 H new ATOM 0 HG3 LYS B 16 -12.321 24.854 12.054 1.00 71.22 H new ATOM 0 HD2 LYS B 16 -13.457 26.121 13.759 1.00 43.44 H new ATOM 0 HD3 LYS B 16 -13.288 27.163 12.360 1.00 43.44 H new ATOM 0 HE2 LYS B 16 -15.611 26.698 11.686 1.00 71.31 H new ATOM 0 HE3 LYS B 16 -15.793 25.555 13.002 1.00 71.31 H new ATOM 0 HZ1 LYS B 16 -16.745 27.545 13.748 1.00 71.53 H new ATOM 0 HZ2 LYS B 16 -15.237 27.484 14.526 1.00 71.53 H new ATOM 0 HZ3 LYS B 16 -15.458 28.497 13.181 1.00 71.53 H new ATOM 1279 N LYS B 17 -12.863 25.390 7.237 1.00 11.33 N ATOM 1280 CA LYS B 17 -13.345 25.443 5.862 1.00 41.12 C ATOM 1281 C LYS B 17 -13.052 24.135 5.133 1.00 11.53 C ATOM 1282 O LYS B 17 -13.936 23.552 4.503 1.00 51.22 O ATOM 1283 CB LYS B 17 -12.695 26.611 5.117 1.00 12.02 C ATOM 1284 CG LYS B 17 -13.659 27.373 4.223 1.00 51.12 C ATOM 1285 CD LYS B 17 -12.982 28.559 3.557 1.00 72.21 C ATOM 1286 CE LYS B 17 -13.209 28.558 2.053 1.00 33.22 C ATOM 1287 NZ LYS B 17 -12.136 29.294 1.329 1.00 70.32 N ATOM 0 H LYS B 17 -12.192 26.120 7.476 1.00 11.33 H new ATOM 0 HA LYS B 17 -14.425 25.592 5.887 1.00 41.12 H new ATOM 0 HB2 LYS B 17 -12.264 27.300 5.843 1.00 12.02 H new ATOM 0 HB3 LYS B 17 -11.872 26.232 4.511 1.00 12.02 H new ATOM 0 HG2 LYS B 17 -14.056 26.703 3.460 1.00 51.12 H new ATOM 0 HG3 LYS B 17 -14.507 27.721 4.813 1.00 51.12 H new ATOM 0 HD2 LYS B 17 -13.367 29.485 3.983 1.00 72.21 H new ATOM 0 HD3 LYS B 17 -11.912 28.532 3.765 1.00 72.21 H new ATOM 0 HE2 LYS B 17 -13.251 27.530 1.693 1.00 33.22 H new ATOM 0 HE3 LYS B 17 -14.174 29.013 1.831 1.00 33.22 H new ATOM 0 HZ1 LYS B 17 -12.327 29.270 0.307 1.00 70.32 H new ATOM 0 HZ2 LYS B 17 -12.112 30.282 1.654 1.00 70.32 H new ATOM 0 HZ3 LYS B 17 -11.218 28.845 1.520 1.00 70.32 H new ATOM 1301 N LEU B 18 -11.808 23.679 5.223 1.00 41.35 N ATOM 1302 CA LEU B 18 -11.399 22.439 4.573 1.00 11.30 C ATOM 1303 C LEU B 18 -11.930 21.227 5.330 1.00 75.43 C ATOM 1304 O LEU B 18 -12.230 20.192 4.734 1.00 12.03 O ATOM 1305 CB LEU B 18 -9.874 22.369 4.479 1.00 64.32 C ATOM 1306 CG LEU B 18 -9.279 22.511 3.078 1.00 74.23 C ATOM 1307 CD1 LEU B 18 -9.723 21.358 2.189 1.00 4.22 C ATOM 1308 CD2 LEU B 18 -9.679 23.844 2.462 1.00 33.24 C ATOM 0 H LEU B 18 -11.065 24.149 5.740 1.00 41.35 H new ATOM 0 HA LEU B 18 -11.820 22.428 3.567 1.00 11.30 H new ATOM 0 HB2 LEU B 18 -9.455 23.152 5.111 1.00 64.32 H new ATOM 0 HB3 LEU B 18 -9.548 21.416 4.895 1.00 64.32 H new ATOM 0 HG LEU B 18 -8.193 22.482 3.161 1.00 74.23 H new ATOM 0 HD11 LEU B 18 -9.290 21.476 1.196 1.00 4.22 H new ATOM 0 HD12 LEU B 18 -9.388 20.415 2.621 1.00 4.22 H new ATOM 0 HD13 LEU B 18 -10.810 21.356 2.112 1.00 4.22 H new ATOM 0 HD21 LEU B 18 -9.247 23.928 1.465 1.00 33.24 H new ATOM 0 HD22 LEU B 18 -10.765 23.901 2.393 1.00 33.24 H new ATOM 0 HD23 LEU B 18 -9.312 24.658 3.087 1.00 33.24 H new ATOM 1320 N ALA B 19 -12.045 21.362 6.647 1.00 24.23 N ATOM 1321 CA ALA B 19 -12.544 20.278 7.485 1.00 12.34 C ATOM 1322 C ALA B 19 -13.963 19.886 7.088 1.00 54.02 C ATOM 1323 O ALA B 19 -14.289 18.701 7.005 1.00 53.54 O ATOM 1324 CB ALA B 19 -12.499 20.682 8.952 1.00 43.45 C ATOM 0 H ALA B 19 -11.800 22.211 7.157 1.00 24.23 H new ATOM 0 HA ALA B 19 -11.900 19.411 7.337 1.00 12.34 H new ATOM 0 HB1 ALA B 19 -12.874 19.864 9.566 1.00 43.45 H new ATOM 0 HB2 ALA B 19 -11.471 20.907 9.236 1.00 43.45 H new ATOM 0 HB3 ALA B 19 -13.119 21.565 9.105 1.00 43.45 H new ATOM 1330 N GLU B 20 -14.802 20.887 6.843 1.00 34.50 N ATOM 1331 CA GLU B 20 -16.187 20.644 6.455 1.00 32.22 C ATOM 1332 C GLU B 20 -16.258 19.957 5.093 1.00 31.12 C ATOM 1333 O GLU B 20 -17.098 19.085 4.870 1.00 42.34 O ATOM 1334 CB GLU B 20 -16.968 21.959 6.417 1.00 71.53 C ATOM 1335 CG GLU B 20 -18.373 21.850 6.986 1.00 55.10 C ATOM 1336 CD GLU B 20 -19.233 23.052 6.650 1.00 60.20 C ATOM 1337 OE1 GLU B 20 -18.969 23.700 5.615 1.00 74.24 O ATOM 1338 OE2 GLU B 20 -20.169 23.346 7.421 1.00 21.04 O ATOM 0 H GLU B 20 -14.548 21.873 6.906 1.00 34.50 H new ATOM 0 HA GLU B 20 -16.636 19.985 7.199 1.00 32.22 H new ATOM 0 HB2 GLU B 20 -16.417 22.715 6.976 1.00 71.53 H new ATOM 0 HB3 GLU B 20 -17.029 22.306 5.385 1.00 71.53 H new ATOM 0 HG2 GLU B 20 -18.848 20.948 6.600 1.00 55.10 H new ATOM 0 HG3 GLU B 20 -18.315 21.741 8.069 1.00 55.10 H new ATOM 1345 N GLU B 21 -15.373 20.360 4.188 1.00 72.12 N ATOM 1346 CA GLU B 21 -15.336 19.784 2.848 1.00 15.32 C ATOM 1347 C GLU B 21 -14.878 18.330 2.892 1.00 63.41 C ATOM 1348 O GLU B 21 -15.330 17.501 2.103 1.00 2.41 O ATOM 1349 CB GLU B 21 -14.406 20.597 1.945 1.00 10.31 C ATOM 1350 CG GLU B 21 -15.086 21.778 1.273 1.00 34.50 C ATOM 1351 CD GLU B 21 -14.909 21.773 -0.233 1.00 42.31 C ATOM 1352 OE1 GLU B 21 -15.828 22.239 -0.939 1.00 34.33 O ATOM 1353 OE2 GLU B 21 -13.853 21.305 -0.705 1.00 51.05 O ATOM 0 H GLU B 21 -14.673 21.082 4.357 1.00 72.12 H new ATOM 0 HA GLU B 21 -16.346 19.815 2.439 1.00 15.32 H new ATOM 0 HB2 GLU B 21 -13.566 20.961 2.537 1.00 10.31 H new ATOM 0 HB3 GLU B 21 -13.994 19.941 1.178 1.00 10.31 H new ATOM 0 HG2 GLU B 21 -16.150 21.763 1.510 1.00 34.50 H new ATOM 0 HG3 GLU B 21 -14.682 22.705 1.680 1.00 34.50 H new ATOM 1360 N ALA B 22 -13.977 18.028 3.822 1.00 13.03 N ATOM 1361 CA ALA B 22 -13.458 16.674 3.970 1.00 24.14 C ATOM 1362 C ALA B 22 -14.539 15.724 4.473 1.00 34.34 C ATOM 1363 O ALA B 22 -14.533 14.536 4.152 1.00 20.22 O ATOM 1364 CB ALA B 22 -12.265 16.667 4.917 1.00 14.04 C ATOM 0 H ALA B 22 -13.592 18.702 4.483 1.00 13.03 H new ATOM 0 HA ALA B 22 -13.133 16.327 2.989 1.00 24.14 H new ATOM 0 HB1 ALA B 22 -11.887 15.650 5.019 1.00 14.04 H new ATOM 0 HB2 ALA B 22 -11.479 17.308 4.517 1.00 14.04 H new ATOM 0 HB3 ALA B 22 -12.574 17.039 5.894 1.00 14.04 H new ATOM 1370 N ALA B 23 -15.467 16.255 5.263 1.00 24.12 N ATOM 1371 CA ALA B 23 -16.556 15.453 5.809 1.00 54.44 C ATOM 1372 C ALA B 23 -17.577 15.109 4.730 1.00 52.02 C ATOM 1373 O ALA B 23 -18.211 14.054 4.774 1.00 63.24 O ATOM 1374 CB ALA B 23 -17.227 16.188 6.959 1.00 34.11 C ATOM 0 H ALA B 23 -15.487 17.237 5.539 1.00 24.12 H new ATOM 0 HA ALA B 23 -16.135 14.520 6.185 1.00 54.44 H new ATOM 0 HB1 ALA B 23 -18.038 15.578 7.357 1.00 34.11 H new ATOM 0 HB2 ALA B 23 -16.496 16.378 7.745 1.00 34.11 H new ATOM 0 HB3 ALA B 23 -17.628 17.136 6.600 1.00 34.11 H new ATOM 1380 N LYS B 24 -17.734 16.005 3.762 1.00 14.43 N ATOM 1381 CA LYS B 24 -18.679 15.797 2.671 1.00 65.21 C ATOM 1382 C LYS B 24 -18.194 14.694 1.735 1.00 62.13 C ATOM 1383 O LYS B 24 -18.997 13.965 1.150 1.00 3.32 O ATOM 1384 CB LYS B 24 -18.877 17.095 1.885 1.00 4.31 C ATOM 1385 CG LYS B 24 -20.269 17.243 1.297 1.00 1.24 C ATOM 1386 CD LYS B 24 -20.407 18.535 0.508 1.00 71.44 C ATOM 1387 CE LYS B 24 -21.585 19.363 0.995 1.00 52.53 C ATOM 1388 NZ LYS B 24 -21.163 20.407 1.969 1.00 31.01 N ATOM 0 H LYS B 24 -17.218 16.884 3.711 1.00 14.43 H new ATOM 0 HA LYS B 24 -19.632 15.492 3.103 1.00 65.21 H new ATOM 0 HB2 LYS B 24 -18.677 17.942 2.542 1.00 4.31 H new ATOM 0 HB3 LYS B 24 -18.145 17.137 1.079 1.00 4.31 H new ATOM 0 HG2 LYS B 24 -20.483 16.394 0.647 1.00 1.24 H new ATOM 0 HG3 LYS B 24 -21.007 17.225 2.099 1.00 1.24 H new ATOM 0 HD2 LYS B 24 -19.490 19.117 0.598 1.00 71.44 H new ATOM 0 HD3 LYS B 24 -20.536 18.305 -0.550 1.00 71.44 H new ATOM 0 HE2 LYS B 24 -22.073 19.837 0.143 1.00 52.53 H new ATOM 0 HE3 LYS B 24 -22.322 18.708 1.461 1.00 52.53 H new ATOM 0 HZ1 LYS B 24 -21.994 20.950 2.278 1.00 31.01 H new ATOM 0 HZ2 LYS B 24 -20.720 19.954 2.794 1.00 31.01 H new ATOM 0 HZ3 LYS B 24 -20.479 21.047 1.517 1.00 31.01 H new ATOM 1402 N LEU B 25 -16.878 14.576 1.599 1.00 64.33 N ATOM 1403 CA LEU B 25 -16.286 13.559 0.736 1.00 30.22 C ATOM 1404 C LEU B 25 -16.416 12.173 1.359 1.00 61.55 C ATOM 1405 O LEU B 25 -16.541 11.172 0.651 1.00 1.32 O ATOM 1406 CB LEU B 25 -14.813 13.878 0.476 1.00 62.01 C ATOM 1407 CG LEU B 25 -14.482 14.439 -0.907 1.00 53.24 C ATOM 1408 CD1 LEU B 25 -13.125 15.126 -0.894 1.00 42.21 C ATOM 1409 CD2 LEU B 25 -14.511 13.333 -1.953 1.00 62.43 C ATOM 0 H LEU B 25 -16.200 15.172 2.075 1.00 64.33 H new ATOM 0 HA LEU B 25 -16.825 13.563 -0.211 1.00 30.22 H new ATOM 0 HB2 LEU B 25 -14.479 14.595 1.226 1.00 62.01 H new ATOM 0 HB3 LEU B 25 -14.233 12.967 0.625 1.00 62.01 H new ATOM 0 HG LEU B 25 -15.239 15.179 -1.168 1.00 53.24 H new ATOM 0 HD11 LEU B 25 -12.907 15.519 -1.887 1.00 42.21 H new ATOM 0 HD12 LEU B 25 -13.139 15.945 -0.175 1.00 42.21 H new ATOM 0 HD13 LEU B 25 -12.356 14.407 -0.611 1.00 42.21 H new ATOM 0 HD21 LEU B 25 -14.273 13.751 -2.931 1.00 62.43 H new ATOM 0 HD22 LEU B 25 -13.776 12.570 -1.696 1.00 62.43 H new ATOM 0 HD23 LEU B 25 -15.504 12.885 -1.982 1.00 62.43 H new ATOM 1421 N LEU B 26 -16.388 12.120 2.685 1.00 42.10 N ATOM 1422 CA LEU B 26 -16.505 10.857 3.404 1.00 22.31 C ATOM 1423 C LEU B 26 -17.957 10.391 3.454 1.00 62.15 C ATOM 1424 O LEU B 26 -18.232 9.196 3.559 1.00 73.14 O ATOM 1425 CB LEU B 26 -15.955 11.002 4.824 1.00 12.13 C ATOM 1426 CG LEU B 26 -14.433 10.984 4.960 1.00 60.53 C ATOM 1427 CD1 LEU B 26 -14.016 11.416 6.357 1.00 71.23 C ATOM 1428 CD2 LEU B 26 -13.886 9.599 4.643 1.00 21.31 C ATOM 0 H LEU B 26 -16.285 12.938 3.285 1.00 42.10 H new ATOM 0 HA LEU B 26 -15.920 10.108 2.870 1.00 22.31 H new ATOM 0 HB2 LEU B 26 -16.326 11.938 5.242 1.00 12.13 H new ATOM 0 HB3 LEU B 26 -16.364 10.197 5.434 1.00 12.13 H new ATOM 0 HG LEU B 26 -14.015 11.691 4.244 1.00 60.53 H new ATOM 0 HD11 LEU B 26 -12.929 11.397 6.434 1.00 71.23 H new ATOM 0 HD12 LEU B 26 -14.376 12.427 6.548 1.00 71.23 H new ATOM 0 HD13 LEU B 26 -14.444 10.734 7.092 1.00 71.23 H new ATOM 0 HD21 LEU B 26 -12.801 9.604 4.745 1.00 21.31 H new ATOM 0 HD22 LEU B 26 -14.312 8.872 5.335 1.00 21.31 H new ATOM 0 HD23 LEU B 26 -14.153 9.327 3.622 1.00 21.31 H new ATOM 1440 N GLU B 27 -18.881 11.342 3.375 1.00 14.51 N ATOM 1441 CA GLU B 27 -20.305 11.029 3.410 1.00 32.32 C ATOM 1442 C GLU B 27 -20.785 10.527 2.051 1.00 44.24 C ATOM 1443 O GLU B 27 -21.703 9.712 1.966 1.00 62.24 O ATOM 1444 CB GLU B 27 -21.112 12.261 3.824 1.00 24.34 C ATOM 1445 CG GLU B 27 -21.157 12.482 5.327 1.00 41.43 C ATOM 1446 CD GLU B 27 -22.392 11.881 5.969 1.00 51.43 C ATOM 1447 OE1 GLU B 27 -23.226 12.653 6.486 1.00 1.04 O ATOM 1448 OE2 GLU B 27 -22.524 10.639 5.956 1.00 54.44 O ATOM 0 H GLU B 27 -18.670 12.336 3.286 1.00 14.51 H new ATOM 0 HA GLU B 27 -20.459 10.239 4.146 1.00 32.32 H new ATOM 0 HB2 GLU B 27 -20.683 13.143 3.348 1.00 24.34 H new ATOM 0 HB3 GLU B 27 -22.131 12.161 3.449 1.00 24.34 H new ATOM 0 HG2 GLU B 27 -20.267 12.046 5.781 1.00 41.43 H new ATOM 0 HG3 GLU B 27 -21.129 13.552 5.534 1.00 41.43 H new ATOM 1455 N GLY B 28 -20.156 11.021 0.988 1.00 45.11 N ATOM 1456 CA GLY B 28 -20.532 10.612 -0.353 1.00 30.52 C ATOM 1457 C GLY B 28 -21.921 11.084 -0.734 1.00 64.42 C ATOM 1458 O GLY B 28 -22.579 10.480 -1.581 1.00 43.41 O ATOM 0 H GLY B 28 -19.393 11.697 1.032 1.00 45.11 H new ATOM 0 HA2 GLY B 28 -19.809 11.007 -1.066 1.00 30.52 H new ATOM 0 HA3 GLY B 28 -20.489 9.525 -0.424 1.00 30.52 H new ATOM 1504 N GLY B 35 -22.163 8.449 9.324 1.00 44.21 N ATOM 1505 CA GLY B 35 -21.095 7.533 9.678 1.00 5.12 C ATOM 1506 C GLY B 35 -20.094 8.151 10.636 1.00 74.43 C ATOM 1507 O GLY B 35 -20.185 9.335 10.957 1.00 64.12 O ATOM 0 HA2 GLY B 35 -21.523 6.639 10.131 1.00 5.12 H new ATOM 0 HA3 GLY B 35 -20.578 7.215 8.773 1.00 5.12 H new ATOM 1511 N GLU B 36 -19.139 7.347 11.091 1.00 24.21 N ATOM 1512 CA GLU B 36 -18.119 7.822 12.019 1.00 32.34 C ATOM 1513 C GLU B 36 -17.064 8.650 11.290 1.00 5.04 C ATOM 1514 O GLU B 36 -16.501 9.591 11.851 1.00 43.13 O ATOM 1515 CB GLU B 36 -17.455 6.642 12.731 1.00 74.32 C ATOM 1516 CG GLU B 36 -16.248 7.035 13.565 1.00 54.44 C ATOM 1517 CD GLU B 36 -15.655 5.863 14.322 1.00 30.50 C ATOM 1518 OE1 GLU B 36 -14.816 6.098 15.217 1.00 73.41 O ATOM 1519 OE2 GLU B 36 -16.029 4.711 14.020 1.00 71.52 O ATOM 0 H GLU B 36 -19.050 6.364 10.833 1.00 24.21 H new ATOM 0 HA GLU B 36 -18.606 8.456 12.760 1.00 32.34 H new ATOM 0 HB2 GLU B 36 -18.189 6.158 13.375 1.00 74.32 H new ATOM 0 HB3 GLU B 36 -17.148 5.906 11.988 1.00 74.32 H new ATOM 0 HG2 GLU B 36 -15.486 7.465 12.915 1.00 54.44 H new ATOM 0 HG3 GLU B 36 -16.538 7.811 14.273 1.00 54.44 H new ATOM 1526 N LEU B 37 -16.802 8.292 10.038 1.00 50.21 N ATOM 1527 CA LEU B 37 -15.814 9.001 9.232 1.00 74.44 C ATOM 1528 C LEU B 37 -16.121 10.494 9.183 1.00 43.43 C ATOM 1529 O LEU B 37 -15.213 11.321 9.100 1.00 50.04 O ATOM 1530 CB LEU B 37 -15.780 8.429 7.813 1.00 30.50 C ATOM 1531 CG LEU B 37 -14.822 7.259 7.583 1.00 12.12 C ATOM 1532 CD1 LEU B 37 -13.378 7.731 7.652 1.00 41.13 C ATOM 1533 CD2 LEU B 37 -15.074 6.156 8.601 1.00 62.03 C ATOM 0 H LEU B 37 -17.259 7.516 9.559 1.00 50.21 H new ATOM 0 HA LEU B 37 -14.837 8.865 9.696 1.00 74.44 H new ATOM 0 HB2 LEU B 37 -16.787 8.105 7.549 1.00 30.50 H new ATOM 0 HB3 LEU B 37 -15.513 9.232 7.126 1.00 30.50 H new ATOM 0 HG LEU B 37 -15.004 6.855 6.587 1.00 12.12 H new ATOM 0 HD11 LEU B 37 -12.710 6.885 7.486 1.00 41.13 H new ATOM 0 HD12 LEU B 37 -13.205 8.486 6.885 1.00 41.13 H new ATOM 0 HD13 LEU B 37 -13.182 8.161 8.634 1.00 41.13 H new ATOM 0 HD21 LEU B 37 -14.384 5.332 8.423 1.00 62.03 H new ATOM 0 HD22 LEU B 37 -14.920 6.547 9.607 1.00 62.03 H new ATOM 0 HD23 LEU B 37 -16.099 5.798 8.504 1.00 62.03 H new ATOM 1545 N MET B 38 -17.404 10.831 9.238 1.00 74.31 N ATOM 1546 CA MET B 38 -17.830 12.226 9.204 1.00 33.11 C ATOM 1547 C MET B 38 -17.593 12.899 10.551 1.00 43.43 C ATOM 1548 O MET B 38 -17.340 14.103 10.620 1.00 64.34 O ATOM 1549 CB MET B 38 -19.310 12.320 8.827 1.00 53.32 C ATOM 1550 CG MET B 38 -19.739 13.714 8.397 1.00 21.22 C ATOM 1551 SD MET B 38 -21.325 14.201 9.104 1.00 62.45 S ATOM 1552 CE MET B 38 -21.364 15.941 8.682 1.00 70.15 C ATOM 0 H MET B 38 -18.168 10.158 9.306 1.00 74.31 H new ATOM 0 HA MET B 38 -17.237 12.743 8.450 1.00 33.11 H new ATOM 0 HB2 MET B 38 -19.516 11.619 8.018 1.00 53.32 H new ATOM 0 HB3 MET B 38 -19.914 12.009 9.679 1.00 53.32 H new ATOM 0 HG2 MET B 38 -18.976 14.433 8.696 1.00 21.22 H new ATOM 0 HG3 MET B 38 -19.804 13.751 7.310 1.00 21.22 H new ATOM 0 HE1 MET B 38 -22.288 16.385 9.053 1.00 70.15 H new ATOM 0 HE2 MET B 38 -20.511 16.445 9.137 1.00 70.15 H new ATOM 0 HE3 MET B 38 -21.317 16.054 7.599 1.00 70.15 H new ATOM 1562 N LYS B 39 -17.677 12.118 11.622 1.00 70.24 N ATOM 1563 CA LYS B 39 -17.471 12.638 12.969 1.00 60.44 C ATOM 1564 C LYS B 39 -15.987 12.863 13.243 1.00 1.53 C ATOM 1565 O LYS B 39 -15.612 13.797 13.955 1.00 21.30 O ATOM 1566 CB LYS B 39 -18.050 11.672 14.005 1.00 21.13 C ATOM 1567 CG LYS B 39 -17.702 12.036 15.437 1.00 1.33 C ATOM 1568 CD LYS B 39 -16.818 10.983 16.082 1.00 44.04 C ATOM 1569 CE LYS B 39 -16.294 11.445 17.433 1.00 22.01 C ATOM 1570 NZ LYS B 39 -14.905 10.970 17.683 1.00 53.14 N ATOM 0 H LYS B 39 -17.887 11.121 11.584 1.00 70.24 H new ATOM 0 HA LYS B 39 -17.987 13.595 13.045 1.00 60.44 H new ATOM 0 HB2 LYS B 39 -19.135 11.646 13.899 1.00 21.13 H new ATOM 0 HB3 LYS B 39 -17.685 10.666 13.796 1.00 21.13 H new ATOM 0 HG2 LYS B 39 -17.193 13.000 15.455 1.00 1.33 H new ATOM 0 HG3 LYS B 39 -18.618 12.148 16.017 1.00 1.33 H new ATOM 0 HD2 LYS B 39 -17.383 10.059 16.206 1.00 44.04 H new ATOM 0 HD3 LYS B 39 -15.979 10.758 15.423 1.00 44.04 H new ATOM 0 HE2 LYS B 39 -16.319 12.534 17.479 1.00 22.01 H new ATOM 0 HE3 LYS B 39 -16.951 11.078 18.222 1.00 22.01 H new ATOM 0 HZ1 LYS B 39 -14.524 11.441 18.528 1.00 53.14 H new ATOM 0 HZ2 LYS B 39 -14.912 9.941 17.833 1.00 53.14 H new ATOM 0 HZ3 LYS B 39 -14.308 11.196 16.862 1.00 53.14 H new ATOM 1584 N LEU B 40 -15.148 12.007 12.673 1.00 61.03 N ATOM 1585 CA LEU B 40 -13.704 12.114 12.855 1.00 42.03 C ATOM 1586 C LEU B 40 -13.188 13.452 12.334 1.00 64.33 C ATOM 1587 O LEU B 40 -12.354 14.098 12.972 1.00 34.53 O ATOM 1588 CB LEU B 40 -12.992 10.965 12.138 1.00 31.44 C ATOM 1589 CG LEU B 40 -12.480 9.834 13.030 1.00 75.24 C ATOM 1590 CD1 LEU B 40 -12.041 8.647 12.185 1.00 72.02 C ATOM 1591 CD2 LEU B 40 -11.333 10.321 13.903 1.00 23.43 C ATOM 0 H LEU B 40 -15.442 11.230 12.080 1.00 61.03 H new ATOM 0 HA LEU B 40 -13.492 12.054 13.922 1.00 42.03 H new ATOM 0 HB2 LEU B 40 -13.677 10.541 11.404 1.00 31.44 H new ATOM 0 HB3 LEU B 40 -12.147 11.376 11.585 1.00 31.44 H new ATOM 0 HG LEU B 40 -13.294 9.512 13.680 1.00 75.24 H new ATOM 0 HD11 LEU B 40 -11.679 7.851 12.836 1.00 72.02 H new ATOM 0 HD12 LEU B 40 -12.887 8.283 11.602 1.00 72.02 H new ATOM 0 HD13 LEU B 40 -11.242 8.956 11.511 1.00 72.02 H new ATOM 0 HD21 LEU B 40 -10.981 9.503 14.531 1.00 23.43 H new ATOM 0 HD22 LEU B 40 -10.517 10.670 13.270 1.00 23.43 H new ATOM 0 HD23 LEU B 40 -11.678 11.140 14.534 1.00 23.43 H new ATOM 1603 N CYS B 41 -13.688 13.861 11.174 1.00 33.20 N ATOM 1604 CA CYS B 41 -13.278 15.122 10.568 1.00 15.32 C ATOM 1605 C CYS B 41 -13.810 16.308 11.366 1.00 33.32 C ATOM 1606 O CYS B 41 -13.064 17.228 11.701 1.00 22.43 O ATOM 1607 CB CYS B 41 -13.773 15.202 9.123 1.00 53.42 C ATOM 1608 SG CYS B 41 -12.634 14.492 7.911 1.00 65.12 S ATOM 0 H CYS B 41 -14.378 13.338 10.634 1.00 33.20 H new ATOM 0 HA CYS B 41 -12.189 15.162 10.575 1.00 15.32 H new ATOM 0 HB2 CYS B 41 -14.731 14.688 9.050 1.00 53.42 H new ATOM 0 HB3 CYS B 41 -13.952 16.247 8.869 1.00 53.42 H new ATOM 0 HG CYS B 41 -11.690 15.347 7.650 1.00 65.12 H new ATOM 1614 N GLU B 42 -15.105 16.280 11.666 1.00 44.23 N ATOM 1615 CA GLU B 42 -15.736 17.354 12.423 1.00 35.25 C ATOM 1616 C GLU B 42 -15.089 17.506 13.797 1.00 71.50 C ATOM 1617 O GLU B 42 -15.037 18.602 14.352 1.00 51.45 O ATOM 1618 CB GLU B 42 -17.235 17.085 12.580 1.00 23.02 C ATOM 1619 CG GLU B 42 -17.985 18.207 13.279 1.00 62.34 C ATOM 1620 CD GLU B 42 -19.047 17.694 14.231 1.00 24.03 C ATOM 1621 OE1 GLU B 42 -18.687 17.284 15.355 1.00 33.12 O ATOM 1622 OE2 GLU B 42 -20.237 17.701 13.853 1.00 21.14 O ATOM 0 H GLU B 42 -15.737 15.526 11.396 1.00 44.23 H new ATOM 0 HA GLU B 42 -15.596 18.283 11.870 1.00 35.25 H new ATOM 0 HB2 GLU B 42 -17.672 16.926 11.594 1.00 23.02 H new ATOM 0 HB3 GLU B 42 -17.373 16.162 13.142 1.00 23.02 H new ATOM 0 HG2 GLU B 42 -17.276 18.825 13.830 1.00 62.34 H new ATOM 0 HG3 GLU B 42 -18.452 18.848 12.531 1.00 62.34 H new ATOM 1629 N GLU B 43 -14.599 16.395 14.339 1.00 21.30 N ATOM 1630 CA GLU B 43 -13.957 16.403 15.648 1.00 72.12 C ATOM 1631 C GLU B 43 -12.864 17.466 15.711 1.00 74.12 C ATOM 1632 O GLU B 43 -12.809 18.261 16.649 1.00 64.43 O ATOM 1633 CB GLU B 43 -13.363 15.027 15.959 1.00 31.12 C ATOM 1634 CG GLU B 43 -13.941 14.385 17.208 1.00 63.34 C ATOM 1635 CD GLU B 43 -12.943 14.325 18.349 1.00 54.13 C ATOM 1636 OE1 GLU B 43 -12.662 15.385 18.946 1.00 12.31 O ATOM 1637 OE2 GLU B 43 -12.442 13.221 18.643 1.00 62.43 O ATOM 0 H GLU B 43 -14.635 15.479 13.892 1.00 21.30 H new ATOM 0 HA GLU B 43 -14.715 16.640 16.394 1.00 72.12 H new ATOM 0 HB2 GLU B 43 -13.533 14.366 15.109 1.00 31.12 H new ATOM 0 HB3 GLU B 43 -12.284 15.124 16.076 1.00 31.12 H new ATOM 0 HG2 GLU B 43 -14.819 14.946 17.527 1.00 63.34 H new ATOM 0 HG3 GLU B 43 -14.277 13.376 16.971 1.00 63.34 H new ATOM 1644 N ALA B 44 -11.996 17.474 14.705 1.00 40.43 N ATOM 1645 CA ALA B 44 -10.905 18.439 14.644 1.00 41.23 C ATOM 1646 C ALA B 44 -11.438 19.866 14.569 1.00 61.54 C ATOM 1647 O ALA B 44 -10.838 20.792 15.112 1.00 42.13 O ATOM 1648 CB ALA B 44 -10.006 18.146 13.452 1.00 35.33 C ATOM 0 H ALA B 44 -12.027 16.823 13.921 1.00 40.43 H new ATOM 0 HA ALA B 44 -10.319 18.345 15.558 1.00 41.23 H new ATOM 0 HB1 ALA B 44 -9.196 18.875 13.419 1.00 35.33 H new ATOM 0 HB2 ALA B 44 -9.589 17.144 13.549 1.00 35.33 H new ATOM 0 HB3 ALA B 44 -10.588 18.210 12.533 1.00 35.33 H new ATOM 1654 N ALA B 45 -12.569 20.035 13.891 1.00 35.14 N ATOM 1655 CA ALA B 45 -13.183 21.349 13.746 1.00 11.04 C ATOM 1656 C ALA B 45 -13.742 21.843 15.076 1.00 30.22 C ATOM 1657 O ALA B 45 -13.780 23.046 15.337 1.00 20.24 O ATOM 1658 CB ALA B 45 -14.282 21.305 12.694 1.00 3.32 C ATOM 0 H ALA B 45 -13.078 19.279 13.434 1.00 35.14 H new ATOM 0 HA ALA B 45 -12.413 22.049 13.422 1.00 11.04 H new ATOM 0 HB1 ALA B 45 -14.732 22.293 12.596 1.00 3.32 H new ATOM 0 HB2 ALA B 45 -13.857 21.003 11.737 1.00 3.32 H new ATOM 0 HB3 ALA B 45 -15.045 20.587 12.995 1.00 3.32 H new ATOM 1664 N LYS B 46 -14.176 20.908 15.915 1.00 1.31 N ATOM 1665 CA LYS B 46 -14.733 21.248 17.219 1.00 42.44 C ATOM 1666 C LYS B 46 -13.664 21.848 18.127 1.00 62.23 C ATOM 1667 O LYS B 46 -13.948 22.727 18.940 1.00 2.20 O ATOM 1668 CB LYS B 46 -15.338 20.006 17.877 1.00 45.55 C ATOM 1669 CG LYS B 46 -16.841 20.094 18.076 1.00 74.31 C ATOM 1670 CD LYS B 46 -17.196 20.383 19.524 1.00 12.31 C ATOM 1671 CE LYS B 46 -18.688 20.226 19.774 1.00 3.45 C ATOM 1672 NZ LYS B 46 -19.040 18.839 20.184 1.00 63.13 N ATOM 0 H LYS B 46 -14.153 19.908 15.715 1.00 1.31 H new ATOM 0 HA LYS B 46 -15.517 21.991 17.070 1.00 42.44 H new ATOM 0 HB2 LYS B 46 -15.112 19.134 17.264 1.00 45.55 H new ATOM 0 HB3 LYS B 46 -14.861 19.848 18.844 1.00 45.55 H new ATOM 0 HG2 LYS B 46 -17.248 20.878 17.437 1.00 74.31 H new ATOM 0 HG3 LYS B 46 -17.305 19.158 17.767 1.00 74.31 H new ATOM 0 HD2 LYS B 46 -16.644 19.707 20.177 1.00 12.31 H new ATOM 0 HD3 LYS B 46 -16.888 21.397 19.780 1.00 12.31 H new ATOM 0 HE2 LYS B 46 -19.001 20.924 20.550 1.00 3.45 H new ATOM 0 HE3 LYS B 46 -19.237 20.487 18.869 1.00 3.45 H new ATOM 0 HZ1 LYS B 46 -20.065 18.774 20.345 1.00 63.13 H new ATOM 0 HZ2 LYS B 46 -18.764 18.174 19.433 1.00 63.13 H new ATOM 0 HZ3 LYS B 46 -18.536 18.598 21.061 1.00 63.13 H new ATOM 1686 N LYS B 47 -12.433 21.369 17.982 1.00 34.44 N ATOM 1687 CA LYS B 47 -11.321 21.859 18.787 1.00 72.15 C ATOM 1688 C LYS B 47 -11.086 23.346 18.542 1.00 53.22 C ATOM 1689 O LYS B 47 -10.784 24.097 19.468 1.00 3.25 O ATOM 1690 CB LYS B 47 -10.047 21.072 18.467 1.00 12.13 C ATOM 1691 CG LYS B 47 -9.719 20.003 19.495 1.00 4.11 C ATOM 1692 CD LYS B 47 -10.355 18.670 19.138 1.00 51.54 C ATOM 1693 CE LYS B 47 -11.192 18.126 20.285 1.00 62.25 C ATOM 1694 NZ LYS B 47 -10.342 17.594 21.387 1.00 32.34 N ATOM 0 H LYS B 47 -12.180 20.641 17.314 1.00 34.44 H new ATOM 0 HA LYS B 47 -11.575 21.717 19.837 1.00 72.15 H new ATOM 0 HB2 LYS B 47 -10.156 20.603 17.489 1.00 12.13 H new ATOM 0 HB3 LYS B 47 -9.209 21.766 18.396 1.00 12.13 H new ATOM 0 HG2 LYS B 47 -8.638 19.884 19.565 1.00 4.11 H new ATOM 0 HG3 LYS B 47 -10.068 20.322 20.477 1.00 4.11 H new ATOM 0 HD2 LYS B 47 -10.982 18.790 18.254 1.00 51.54 H new ATOM 0 HD3 LYS B 47 -9.576 17.951 18.882 1.00 51.54 H new ATOM 0 HE2 LYS B 47 -11.836 18.916 20.672 1.00 62.25 H new ATOM 0 HE3 LYS B 47 -11.845 17.335 19.915 1.00 62.25 H new ATOM 0 HZ1 LYS B 47 -10.949 17.232 22.150 1.00 32.34 H new ATOM 0 HZ2 LYS B 47 -9.746 16.823 21.024 1.00 32.34 H new ATOM 0 HZ3 LYS B 47 -9.737 18.355 21.757 1.00 32.34 H new ATOM 1708 N ALA B 48 -11.229 23.764 17.288 1.00 2.21 N ATOM 1709 CA ALA B 48 -11.036 25.163 16.924 1.00 71.14 C ATOM 1710 C ALA B 48 -11.997 26.067 17.687 1.00 3.44 C ATOM 1711 O ALA B 48 -11.623 27.153 18.129 1.00 65.23 O ATOM 1712 CB ALA B 48 -11.215 25.345 15.424 1.00 52.51 C ATOM 0 H ALA B 48 -11.477 23.155 16.508 1.00 2.21 H new ATOM 0 HA ALA B 48 -10.020 25.448 17.196 1.00 71.14 H new ATOM 0 HB1 ALA B 48 -11.068 26.394 15.165 1.00 52.51 H new ATOM 0 HB2 ALA B 48 -10.484 24.734 14.894 1.00 52.51 H new ATOM 0 HB3 ALA B 48 -12.221 25.038 15.138 1.00 52.51 H new ATOM 1718 N GLU B 49 -13.237 25.612 17.837 1.00 23.14 N ATOM 1719 CA GLU B 49 -14.252 26.382 18.547 1.00 1.32 C ATOM 1720 C GLU B 49 -13.890 26.532 20.022 1.00 41.23 C ATOM 1721 O GLU B 49 -14.191 27.550 20.644 1.00 25.41 O ATOM 1722 CB GLU B 49 -15.620 25.711 18.412 1.00 4.44 C ATOM 1723 CG GLU B 49 -16.255 25.893 17.043 1.00 64.51 C ATOM 1724 CD GLU B 49 -17.669 26.434 17.123 1.00 41.31 C ATOM 1725 OE1 GLU B 49 -18.559 25.698 17.598 1.00 74.21 O ATOM 1726 OE2 GLU B 49 -17.885 27.593 16.712 1.00 75.43 O ATOM 0 H GLU B 49 -13.563 24.715 17.477 1.00 23.14 H new ATOM 0 HA GLU B 49 -14.296 27.375 18.099 1.00 1.32 H new ATOM 0 HB2 GLU B 49 -15.514 24.645 18.615 1.00 4.44 H new ATOM 0 HB3 GLU B 49 -16.290 26.115 19.171 1.00 4.44 H new ATOM 0 HG2 GLU B 49 -15.643 26.573 16.450 1.00 64.51 H new ATOM 0 HG3 GLU B 49 -16.265 24.936 16.521 1.00 64.51 H new ATOM 1733 N GLU B 50 -13.242 25.511 20.572 1.00 60.45 N ATOM 1734 CA GLU B 50 -12.840 25.527 21.973 1.00 45.53 C ATOM 1735 C GLU B 50 -11.552 26.326 22.160 1.00 23.13 C ATOM 1736 O GLU B 50 -11.346 26.957 23.198 1.00 44.25 O ATOM 1737 CB GLU B 50 -12.647 24.100 22.490 1.00 41.43 C ATOM 1738 CG GLU B 50 -13.941 23.313 22.601 1.00 71.20 C ATOM 1739 CD GLU B 50 -14.884 23.886 23.641 1.00 22.05 C ATOM 1740 OE1 GLU B 50 -15.925 24.451 23.249 1.00 33.04 O ATOM 1741 OE2 GLU B 50 -14.581 23.769 24.847 1.00 51.34 O ATOM 0 H GLU B 50 -12.984 24.662 20.069 1.00 60.45 H new ATOM 0 HA GLU B 50 -13.633 26.008 22.546 1.00 45.53 H new ATOM 0 HB2 GLU B 50 -11.966 23.570 21.824 1.00 41.43 H new ATOM 0 HB3 GLU B 50 -12.170 24.139 23.469 1.00 41.43 H new ATOM 0 HG2 GLU B 50 -14.439 23.301 21.632 1.00 71.20 H new ATOM 0 HG3 GLU B 50 -13.712 22.278 22.854 1.00 71.20 H new ATOM 1748 N LEU B 51 -10.691 26.293 21.150 1.00 44.13 N ATOM 1749 CA LEU B 51 -9.423 27.014 21.202 1.00 74.45 C ATOM 1750 C LEU B 51 -9.645 28.517 21.080 1.00 31.32 C ATOM 1751 O LEU B 51 -8.914 29.314 21.668 1.00 64.53 O ATOM 1752 CB LEU B 51 -8.494 26.532 20.086 1.00 74.51 C ATOM 1753 CG LEU B 51 -7.253 25.760 20.532 1.00 71.12 C ATOM 1754 CD1 LEU B 51 -7.154 24.434 19.792 1.00 63.11 C ATOM 1755 CD2 LEU B 51 -5.998 26.592 20.309 1.00 33.22 C ATOM 0 H LEU B 51 -10.847 25.775 20.285 1.00 44.13 H new ATOM 0 HA LEU B 51 -8.958 26.812 22.167 1.00 74.45 H new ATOM 0 HB2 LEU B 51 -9.069 25.898 19.411 1.00 74.51 H new ATOM 0 HB3 LEU B 51 -8.170 27.399 19.510 1.00 74.51 H new ATOM 0 HG LEU B 51 -7.342 25.552 21.598 1.00 71.12 H new ATOM 0 HD11 LEU B 51 -6.264 23.898 20.123 1.00 63.11 H new ATOM 0 HD12 LEU B 51 -8.039 23.833 20.002 1.00 63.11 H new ATOM 0 HD13 LEU B 51 -7.088 24.620 18.720 1.00 63.11 H new ATOM 0 HD21 LEU B 51 -5.124 26.026 20.632 1.00 33.22 H new ATOM 0 HD22 LEU B 51 -5.904 26.832 19.250 1.00 33.22 H new ATOM 0 HD23 LEU B 51 -6.066 27.515 20.885 1.00 33.22 H new ATOM 1767 N PHE B 52 -10.662 28.900 20.315 1.00 12.00 N ATOM 1768 CA PHE B 52 -10.983 30.309 20.117 1.00 25.43 C ATOM 1769 C PHE B 52 -11.193 31.011 21.456 1.00 55.43 C ATOM 1770 O PHE B 52 -10.877 32.192 21.606 1.00 22.14 O ATOM 1771 CB PHE B 52 -12.236 30.452 19.251 1.00 20.32 C ATOM 1772 CG PHE B 52 -12.064 31.401 18.099 1.00 63.23 C ATOM 1773 CD1 PHE B 52 -11.923 30.924 16.806 1.00 23.55 C ATOM 1774 CD2 PHE B 52 -12.041 32.770 18.310 1.00 65.15 C ATOM 1775 CE1 PHE B 52 -11.765 31.794 15.744 1.00 25.24 C ATOM 1776 CE2 PHE B 52 -11.882 33.645 17.252 1.00 24.22 C ATOM 1777 CZ PHE B 52 -11.744 33.156 15.968 1.00 62.03 C ATOM 0 H PHE B 52 -11.278 28.254 19.822 1.00 12.00 H new ATOM 0 HA PHE B 52 -10.143 30.780 19.607 1.00 25.43 H new ATOM 0 HB2 PHE B 52 -12.515 29.472 18.865 1.00 20.32 H new ATOM 0 HB3 PHE B 52 -13.061 30.796 19.874 1.00 20.32 H new ATOM 0 HD1 PHE B 52 -11.937 29.859 16.626 1.00 23.55 H new ATOM 0 HD2 PHE B 52 -12.148 33.158 19.312 1.00 65.15 H new ATOM 0 HE1 PHE B 52 -11.658 31.409 14.741 1.00 25.24 H new ATOM 0 HE2 PHE B 52 -11.866 34.710 17.429 1.00 24.22 H new ATOM 0 HZ PHE B 52 -11.620 33.838 15.140 1.00 62.03 H new ATOM 1787 N LYS B 53 -11.729 30.278 22.424 1.00 44.20 N ATOM 1788 CA LYS B 53 -11.981 30.828 23.751 1.00 42.11 C ATOM 1789 C LYS B 53 -10.676 31.234 24.429 1.00 35.12 C ATOM 1790 O LYS B 53 -10.611 32.258 25.110 1.00 14.33 O ATOM 1791 CB LYS B 53 -12.722 29.807 24.617 1.00 12.34 C ATOM 1792 CG LYS B 53 -13.596 30.437 25.687 1.00 33.13 C ATOM 1793 CD LYS B 53 -14.513 29.412 26.334 1.00 35.02 C ATOM 1794 CE LYS B 53 -15.436 30.057 27.356 1.00 13.05 C ATOM 1795 NZ LYS B 53 -16.369 31.032 26.726 1.00 33.40 N ATOM 0 H LYS B 53 -11.998 29.300 22.315 1.00 44.20 H new ATOM 0 HA LYS B 53 -12.602 31.716 23.636 1.00 42.11 H new ATOM 0 HB2 LYS B 53 -13.342 29.181 23.975 1.00 12.34 H new ATOM 0 HB3 LYS B 53 -11.994 29.151 25.094 1.00 12.34 H new ATOM 0 HG2 LYS B 53 -12.966 30.895 26.449 1.00 33.13 H new ATOM 0 HG3 LYS B 53 -14.194 31.235 25.246 1.00 33.13 H new ATOM 0 HD2 LYS B 53 -15.108 28.918 25.566 1.00 35.02 H new ATOM 0 HD3 LYS B 53 -13.914 28.641 26.819 1.00 35.02 H new ATOM 0 HE2 LYS B 53 -16.010 29.283 27.866 1.00 13.05 H new ATOM 0 HE3 LYS B 53 -14.840 30.564 28.115 1.00 13.05 H new ATOM 0 HZ1 LYS B 53 -17.127 31.270 27.397 1.00 33.40 H new ATOM 0 HZ2 LYS B 53 -15.849 31.896 26.471 1.00 33.40 H new ATOM 0 HZ3 LYS B 53 -16.784 30.612 25.870 1.00 33.40 H new ATOM 1809 N LEU B 54 -9.640 30.425 24.238 1.00 0.31 N ATOM 1810 CA LEU B 54 -8.335 30.702 24.830 1.00 25.54 C ATOM 1811 C LEU B 54 -7.601 31.785 24.049 1.00 11.32 C ATOM 1812 O LEU B 54 -7.100 32.750 24.627 1.00 34.34 O ATOM 1813 CB LEU B 54 -7.492 29.426 24.871 1.00 74.11 C ATOM 1814 CG LEU B 54 -7.710 28.515 26.080 1.00 55.23 C ATOM 1815 CD1 LEU B 54 -8.922 27.622 25.863 1.00 4.11 C ATOM 1816 CD2 LEU B 54 -6.468 27.677 26.347 1.00 50.02 C ATOM 0 H LEU B 54 -9.677 29.573 23.679 1.00 0.31 H new ATOM 0 HA LEU B 54 -8.493 31.059 25.848 1.00 25.54 H new ATOM 0 HB2 LEU B 54 -7.695 28.851 23.967 1.00 74.11 H new ATOM 0 HB3 LEU B 54 -6.440 29.709 24.839 1.00 74.11 H new ATOM 0 HG LEU B 54 -7.897 29.140 26.953 1.00 55.23 H new ATOM 0 HD11 LEU B 54 -9.062 26.981 26.733 1.00 4.11 H new ATOM 0 HD12 LEU B 54 -9.809 28.240 25.721 1.00 4.11 H new ATOM 0 HD13 LEU B 54 -8.765 27.004 24.979 1.00 4.11 H new ATOM 0 HD21 LEU B 54 -6.641 27.035 27.211 1.00 50.02 H new ATOM 0 HD22 LEU B 54 -6.250 27.061 25.475 1.00 50.02 H new ATOM 0 HD23 LEU B 54 -5.622 28.334 26.547 1.00 50.02 H new ATOM 1828 N ALA B 55 -7.542 31.622 22.731 1.00 63.44 N ATOM 1829 CA ALA B 55 -6.872 32.588 21.870 1.00 1.05 C ATOM 1830 C ALA B 55 -7.445 33.988 22.068 1.00 42.53 C ATOM 1831 O ALA B 55 -6.737 34.984 21.922 1.00 64.42 O ATOM 1832 CB ALA B 55 -6.991 32.168 20.412 1.00 24.12 C ATOM 0 H ALA B 55 -7.951 30.829 22.236 1.00 63.44 H new ATOM 0 HA ALA B 55 -5.817 32.613 22.144 1.00 1.05 H new ATOM 0 HB1 ALA B 55 -6.486 32.899 19.780 1.00 24.12 H new ATOM 0 HB2 ALA B 55 -6.529 31.190 20.276 1.00 24.12 H new ATOM 0 HB3 ALA B 55 -8.043 32.114 20.134 1.00 24.12 H new ATOM 1838 N GLU B 56 -8.731 34.055 22.398 1.00 70.21 N ATOM 1839 CA GLU B 56 -9.397 35.334 22.613 1.00 23.44 C ATOM 1840 C GLU B 56 -9.009 35.930 23.963 1.00 5.13 C ATOM 1841 O GLU B 56 -8.881 37.146 24.103 1.00 53.05 O ATOM 1842 CB GLU B 56 -10.916 35.162 22.538 1.00 72.31 C ATOM 1843 CG GLU B 56 -11.682 36.472 22.612 1.00 71.05 C ATOM 1844 CD GLU B 56 -12.789 36.560 21.580 1.00 23.01 C ATOM 1845 OE1 GLU B 56 -12.558 37.170 20.514 1.00 71.01 O ATOM 1846 OE2 GLU B 56 -13.885 36.021 21.837 1.00 42.32 O ATOM 0 H GLU B 56 -9.331 33.240 22.522 1.00 70.21 H new ATOM 0 HA GLU B 56 -9.076 36.018 21.827 1.00 23.44 H new ATOM 0 HB2 GLU B 56 -11.170 34.655 21.607 1.00 72.31 H new ATOM 0 HB3 GLU B 56 -11.240 34.515 23.353 1.00 72.31 H new ATOM 0 HG2 GLU B 56 -12.110 36.582 23.608 1.00 71.05 H new ATOM 0 HG3 GLU B 56 -10.990 37.302 22.468 1.00 71.05 H new ATOM 1853 N GLU B 57 -8.824 35.063 24.955 1.00 10.12 N ATOM 1854 CA GLU B 57 -8.452 35.504 26.293 1.00 4.41 C ATOM 1855 C GLU B 57 -6.992 35.948 26.334 1.00 24.00 C ATOM 1856 O GLU B 57 -6.604 36.769 27.166 1.00 34.11 O ATOM 1857 CB GLU B 57 -8.683 34.382 27.307 1.00 30.32 C ATOM 1858 CG GLU B 57 -9.885 34.614 28.209 1.00 74.03 C ATOM 1859 CD GLU B 57 -9.992 33.582 29.315 1.00 51.34 C ATOM 1860 OE1 GLU B 57 -10.179 32.389 28.996 1.00 74.33 O ATOM 1861 OE2 GLU B 57 -9.889 33.967 30.497 1.00 43.41 O ATOM 0 H GLU B 57 -8.926 34.053 24.856 1.00 10.12 H new ATOM 0 HA GLU B 57 -9.080 36.355 26.554 1.00 4.41 H new ATOM 0 HB2 GLU B 57 -8.817 33.442 26.772 1.00 30.32 H new ATOM 0 HB3 GLU B 57 -7.792 34.273 27.925 1.00 30.32 H new ATOM 0 HG2 GLU B 57 -9.817 35.608 28.650 1.00 74.03 H new ATOM 0 HG3 GLU B 57 -10.795 34.593 27.609 1.00 74.03 H new ATOM 1868 N ARG B 58 -6.187 35.398 25.431 1.00 41.53 N ATOM 1869 CA ARG B 58 -4.771 35.735 25.364 1.00 43.14 C ATOM 1870 C ARG B 58 -4.533 36.898 24.405 1.00 5.20 C ATOM 1871 O ARG B 58 -3.650 37.728 24.627 1.00 41.21 O ATOM 1872 CB ARG B 58 -3.956 34.519 24.919 1.00 45.13 C ATOM 1873 CG ARG B 58 -4.347 33.231 25.626 1.00 12.41 C ATOM 1874 CD ARG B 58 -3.133 32.528 26.214 1.00 74.41 C ATOM 1875 NE ARG B 58 -2.387 33.392 27.123 1.00 64.03 N ATOM 1876 CZ ARG B 58 -2.800 33.702 28.347 1.00 13.23 C ATOM 1877 NH1 ARG B 58 -3.948 33.221 28.805 1.00 3.31 N ATOM 1878 NH2 ARG B 58 -2.064 34.495 29.116 1.00 21.13 N ATOM 0 H ARG B 58 -6.492 34.717 24.736 1.00 41.53 H new ATOM 0 HA ARG B 58 -4.448 36.036 26.360 1.00 43.14 H new ATOM 0 HB2 ARG B 58 -4.077 34.385 23.844 1.00 45.13 H new ATOM 0 HB3 ARG B 58 -2.899 34.715 25.098 1.00 45.13 H new ATOM 0 HG2 ARG B 58 -5.061 33.452 26.420 1.00 12.41 H new ATOM 0 HG3 ARG B 58 -4.849 32.566 24.923 1.00 12.41 H new ATOM 0 HD2 ARG B 58 -3.455 31.633 26.747 1.00 74.41 H new ATOM 0 HD3 ARG B 58 -2.478 32.200 25.407 1.00 74.41 H new ATOM 0 HE ARG B 58 -1.500 33.779 26.801 1.00 64.03 H new ATOM 0 HH11 ARG B 58 -4.516 32.611 28.217 1.00 3.31 H new ATOM 0 HH12 ARG B 58 -4.263 33.461 29.745 1.00 3.31 H new ATOM 0 HH21 ARG B 58 -1.181 34.867 28.767 1.00 21.13 H new ATOM 0 HH22 ARG B 58 -2.382 34.733 30.056 1.00 21.13 H new ATOM 1892 N LEU B 59 -5.324 36.951 23.340 1.00 52.32 N ATOM 1893 CA LEU B 59 -5.201 38.013 22.347 1.00 62.44 C ATOM 1894 C LEU B 59 -6.186 39.141 22.631 1.00 14.44 C ATOM 1895 O LEU B 59 -6.577 39.881 21.727 1.00 1.20 O ATOM 1896 CB LEU B 59 -5.437 37.454 20.943 1.00 21.31 C ATOM 1897 CG LEU B 59 -4.468 36.365 20.481 1.00 44.20 C ATOM 1898 CD1 LEU B 59 -4.759 35.967 19.043 1.00 71.25 C ATOM 1899 CD2 LEU B 59 -3.028 36.837 20.625 1.00 0.11 C ATOM 0 H LEU B 59 -6.058 36.271 23.141 1.00 52.32 H new ATOM 0 HA LEU B 59 -4.190 38.417 22.405 1.00 62.44 H new ATOM 0 HB2 LEU B 59 -6.450 37.053 20.899 1.00 21.31 H new ATOM 0 HB3 LEU B 59 -5.390 38.279 20.233 1.00 21.31 H new ATOM 0 HG LEU B 59 -4.607 35.489 21.114 1.00 44.20 H new ATOM 0 HD11 LEU B 59 -4.060 35.191 18.732 1.00 71.25 H new ATOM 0 HD12 LEU B 59 -5.778 35.588 18.970 1.00 71.25 H new ATOM 0 HD13 LEU B 59 -4.648 36.837 18.395 1.00 71.25 H new ATOM 0 HD21 LEU B 59 -2.352 36.050 20.292 1.00 0.11 H new ATOM 0 HD22 LEU B 59 -2.875 37.728 20.017 1.00 0.11 H new ATOM 0 HD23 LEU B 59 -2.825 37.071 21.670 1.00 0.11 H new