USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 450 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 CYS SG : rot 107:sc= -1.76! USER MOD Set 1.2: A 67 CYS SG : rot 82:sc= 1.35 USER MOD Single : A 3 SER OG : rot -36:sc= 0.0119 USER MOD Single : A 8 LYS NZ :NH3+ 149:sc= 0.0294 (180deg=-0.0143) USER MOD Single : A 9 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.84) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 72:sc= 0.86 USER MOD Single : A 19 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.4) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.0454 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0376 X(o=-0.038,f=-0.3) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 3 5.722 5.119 -1.286 1.00 4.10 N ATOM 26 CA SER A 3 6.228 5.742 -2.503 1.00 45.04 C ATOM 27 C SER A 3 7.109 4.772 -3.284 1.00 65.44 C ATOM 28 O SER A 3 8.003 5.185 -4.024 1.00 34.11 O ATOM 29 CB SER A 3 7.020 7.007 -2.164 1.00 32.54 C ATOM 30 OG SER A 3 8.197 6.692 -1.439 1.00 54.54 O ATOM 0 HA SER A 3 5.374 6.012 -3.124 1.00 45.04 H new ATOM 0 HB2 SER A 3 7.284 7.532 -3.082 1.00 32.54 H new ATOM 0 HB3 SER A 3 6.398 7.683 -1.578 1.00 32.54 H new ATOM 0 HG SER A 3 8.020 5.938 -0.839 1.00 54.54 H new ATOM 36 N TRP A 4 6.851 3.480 -3.114 1.00 40.20 N ATOM 37 CA TRP A 4 7.620 2.450 -3.802 1.00 61.35 C ATOM 38 C TRP A 4 7.240 2.381 -5.277 1.00 60.14 C ATOM 39 O TRP A 4 8.107 2.316 -6.149 1.00 33.14 O ATOM 40 CB TRP A 4 7.395 1.089 -3.141 1.00 41.11 C ATOM 41 CG TRP A 4 7.931 -0.058 -3.944 1.00 11.51 C ATOM 42 CD1 TRP A 4 7.313 -0.687 -4.987 1.00 25.33 C ATOM 43 CD2 TRP A 4 9.192 -0.712 -3.768 1.00 3.52 C ATOM 44 NE1 TRP A 4 8.115 -1.693 -5.469 1.00 62.44 N ATOM 45 CE2 TRP A 4 9.274 -1.728 -4.739 1.00 74.33 C ATOM 46 CE3 TRP A 4 10.262 -0.536 -2.886 1.00 12.04 C ATOM 47 CZ2 TRP A 4 10.381 -2.565 -4.850 1.00 42.41 C ATOM 48 CZ3 TRP A 4 11.360 -1.367 -2.997 1.00 22.03 C ATOM 49 CH2 TRP A 4 11.414 -2.370 -3.973 1.00 73.53 C ATOM 0 H TRP A 4 6.115 3.121 -2.506 1.00 40.20 H new ATOM 0 HA TRP A 4 8.676 2.711 -3.730 1.00 61.35 H new ATOM 0 HB2 TRP A 4 7.868 1.088 -2.159 1.00 41.11 H new ATOM 0 HB3 TRP A 4 6.327 0.943 -2.981 1.00 41.11 H new ATOM 0 HD1 TRP A 4 6.338 -0.431 -5.375 1.00 25.33 H new ATOM 0 HE1 TRP A 4 7.885 -2.314 -6.245 1.00 62.44 H new ATOM 0 HE3 TRP A 4 10.231 0.236 -2.131 1.00 12.04 H new ATOM 0 HZ2 TRP A 4 10.423 -3.340 -5.601 1.00 42.41 H new ATOM 0 HZ3 TRP A 4 12.191 -1.241 -2.319 1.00 22.03 H new ATOM 0 HH2 TRP A 4 12.288 -3.002 -4.035 1.00 73.53 H new ATOM 60 N ALA A 5 5.939 2.396 -5.550 1.00 44.03 N ATOM 61 CA ALA A 5 5.446 2.338 -6.920 1.00 74.34 C ATOM 62 C ALA A 5 6.135 3.378 -7.797 1.00 74.11 C ATOM 63 O ALA A 5 6.630 3.061 -8.878 1.00 4.23 O ATOM 64 CB ALA A 5 3.938 2.538 -6.947 1.00 35.31 C ATOM 0 H ALA A 5 5.208 2.448 -4.840 1.00 44.03 H new ATOM 0 HA ALA A 5 5.678 1.352 -7.322 1.00 74.34 H new ATOM 0 HB1 ALA A 5 3.583 2.492 -7.977 1.00 35.31 H new ATOM 0 HB2 ALA A 5 3.456 1.754 -6.362 1.00 35.31 H new ATOM 0 HB3 ALA A 5 3.692 3.511 -6.521 1.00 35.31 H new ATOM 70 N GLU A 6 6.161 4.620 -7.324 1.00 53.11 N ATOM 71 CA GLU A 6 6.788 5.707 -8.067 1.00 60.42 C ATOM 72 C GLU A 6 8.252 5.392 -8.359 1.00 25.12 C ATOM 73 O GLU A 6 8.695 5.452 -9.506 1.00 24.20 O ATOM 74 CB GLU A 6 6.683 7.017 -7.284 1.00 52.02 C ATOM 75 CG GLU A 6 5.317 7.675 -7.380 1.00 52.42 C ATOM 76 CD GLU A 6 4.515 7.546 -6.099 1.00 64.15 C ATOM 77 OE1 GLU A 6 4.769 8.326 -5.159 1.00 3.35 O ATOM 78 OE2 GLU A 6 3.634 6.663 -6.039 1.00 14.41 O ATOM 0 H GLU A 6 5.756 4.898 -6.430 1.00 53.11 H new ATOM 0 HA GLU A 6 6.261 5.816 -9.015 1.00 60.42 H new ATOM 0 HB2 GLU A 6 6.911 6.823 -6.236 1.00 52.02 H new ATOM 0 HB3 GLU A 6 7.438 7.712 -7.651 1.00 52.02 H new ATOM 0 HG2 GLU A 6 5.443 8.731 -7.621 1.00 52.42 H new ATOM 0 HG3 GLU A 6 4.758 7.225 -8.201 1.00 52.42 H new ATOM 85 N PHE A 7 8.999 5.057 -7.312 1.00 23.21 N ATOM 86 CA PHE A 7 10.414 4.734 -7.454 1.00 43.02 C ATOM 87 C PHE A 7 10.612 3.571 -8.422 1.00 41.11 C ATOM 88 O PHE A 7 11.595 3.524 -9.162 1.00 22.11 O ATOM 89 CB PHE A 7 11.020 4.387 -6.092 1.00 55.53 C ATOM 90 CG PHE A 7 11.754 5.532 -5.454 1.00 72.20 C ATOM 91 CD1 PHE A 7 11.068 6.500 -4.739 1.00 34.34 C ATOM 92 CD2 PHE A 7 13.130 5.640 -5.570 1.00 23.20 C ATOM 93 CE1 PHE A 7 11.740 7.554 -4.150 1.00 22.14 C ATOM 94 CE2 PHE A 7 13.808 6.691 -4.983 1.00 3.31 C ATOM 95 CZ PHE A 7 13.112 7.650 -4.273 1.00 4.21 C ATOM 0 H PHE A 7 8.648 5.002 -6.356 1.00 23.21 H new ATOM 0 HA PHE A 7 10.922 5.610 -7.857 1.00 43.02 H new ATOM 0 HB2 PHE A 7 10.225 4.057 -5.423 1.00 55.53 H new ATOM 0 HB3 PHE A 7 11.705 3.548 -6.211 1.00 55.53 H new ATOM 0 HD1 PHE A 7 9.995 6.430 -4.641 1.00 34.34 H new ATOM 0 HD2 PHE A 7 13.679 4.894 -6.126 1.00 23.20 H new ATOM 0 HE1 PHE A 7 11.193 8.301 -3.594 1.00 22.14 H new ATOM 0 HE2 PHE A 7 14.881 6.763 -5.079 1.00 3.31 H new ATOM 0 HZ PHE A 7 13.640 8.473 -3.815 1.00 4.21 H new ATOM 105 N LYS A 8 9.671 2.633 -8.411 1.00 0.22 N ATOM 106 CA LYS A 8 9.739 1.470 -9.287 1.00 22.42 C ATOM 107 C LYS A 8 9.600 1.880 -10.749 1.00 55.51 C ATOM 108 O LYS A 8 10.346 1.412 -11.608 1.00 74.41 O ATOM 109 CB LYS A 8 8.644 0.466 -8.921 1.00 74.53 C ATOM 110 CG LYS A 8 8.975 -0.965 -9.310 1.00 4.14 C ATOM 111 CD LYS A 8 9.939 -1.602 -8.322 1.00 13.31 C ATOM 112 CE LYS A 8 10.844 -2.617 -9.002 1.00 32.50 C ATOM 113 NZ LYS A 8 11.980 -3.021 -8.128 1.00 34.43 N ATOM 0 H LYS A 8 8.851 2.656 -7.804 1.00 0.22 H new ATOM 0 HA LYS A 8 10.714 1.001 -9.152 1.00 22.42 H new ATOM 0 HB2 LYS A 8 8.467 0.510 -7.846 1.00 74.53 H new ATOM 0 HB3 LYS A 8 7.715 0.761 -9.409 1.00 74.53 H new ATOM 0 HG2 LYS A 8 8.058 -1.552 -9.355 1.00 4.14 H new ATOM 0 HG3 LYS A 8 9.413 -0.980 -10.308 1.00 4.14 H new ATOM 0 HD2 LYS A 8 10.546 -0.827 -7.854 1.00 13.31 H new ATOM 0 HD3 LYS A 8 9.376 -2.090 -7.526 1.00 13.31 H new ATOM 0 HE2 LYS A 8 10.262 -3.498 -9.272 1.00 32.50 H new ATOM 0 HE3 LYS A 8 11.232 -2.194 -9.929 1.00 32.50 H new ATOM 0 HZ1 LYS A 8 12.247 -4.004 -8.338 1.00 34.43 H new ATOM 0 HZ2 LYS A 8 12.793 -2.396 -8.304 1.00 34.43 H new ATOM 0 HZ3 LYS A 8 11.695 -2.945 -7.131 1.00 34.43 H new ATOM 127 N GLN A 9 8.641 2.759 -11.023 1.00 52.22 N ATOM 128 CA GLN A 9 8.405 3.233 -12.382 1.00 2.11 C ATOM 129 C GLN A 9 9.617 3.993 -12.911 1.00 12.41 C ATOM 130 O GLN A 9 10.201 3.619 -13.928 1.00 2.12 O ATOM 131 CB GLN A 9 7.167 4.130 -12.424 1.00 51.12 C ATOM 132 CG GLN A 9 6.367 4.003 -13.711 1.00 4.01 C ATOM 133 CD GLN A 9 4.889 4.272 -13.508 1.00 63.14 C ATOM 134 OE1 GLN A 9 4.301 3.853 -12.511 1.00 61.11 O ATOM 135 NE2 GLN A 9 4.280 4.975 -14.456 1.00 71.31 N ATOM 0 H GLN A 9 8.015 3.157 -10.323 1.00 52.22 H new ATOM 0 HA GLN A 9 8.237 2.365 -13.019 1.00 2.11 H new ATOM 0 HB2 GLN A 9 6.522 3.885 -11.580 1.00 51.12 H new ATOM 0 HB3 GLN A 9 7.476 5.168 -12.299 1.00 51.12 H new ATOM 0 HG2 GLN A 9 6.761 4.701 -14.450 1.00 4.01 H new ATOM 0 HG3 GLN A 9 6.497 3.000 -14.118 1.00 4.01 H new ATOM 0 HE21 GLN A 9 4.807 5.303 -15.266 1.00 71.31 H new ATOM 0 HE22 GLN A 9 3.286 5.187 -14.374 1.00 71.31 H new ATOM 144 N ARG A 10 9.988 5.063 -12.215 1.00 25.33 N ATOM 145 CA ARG A 10 11.130 5.877 -12.616 1.00 33.35 C ATOM 146 C ARG A 10 12.378 5.016 -12.788 1.00 32.15 C ATOM 147 O ARG A 10 13.096 5.137 -13.781 1.00 24.34 O ATOM 148 CB ARG A 10 11.391 6.972 -11.580 1.00 21.33 C ATOM 149 CG ARG A 10 10.243 7.957 -11.432 1.00 31.44 C ATOM 150 CD ARG A 10 9.826 8.111 -9.977 1.00 51.45 C ATOM 151 NE ARG A 10 8.382 8.284 -9.837 1.00 45.25 N ATOM 152 CZ ARG A 10 7.754 9.432 -10.067 1.00 60.20 C ATOM 153 NH1 ARG A 10 8.439 10.502 -10.446 1.00 53.11 N ATOM 154 NH2 ARG A 10 6.438 9.510 -9.918 1.00 51.20 N ATOM 0 H ARG A 10 9.515 5.386 -11.371 1.00 25.33 H new ATOM 0 HA ARG A 10 10.895 6.341 -13.574 1.00 33.35 H new ATOM 0 HB2 ARG A 10 11.586 6.507 -10.614 1.00 21.33 H new ATOM 0 HB3 ARG A 10 12.293 7.517 -11.859 1.00 21.33 H new ATOM 0 HG2 ARG A 10 10.540 8.927 -11.831 1.00 31.44 H new ATOM 0 HG3 ARG A 10 9.392 7.617 -12.022 1.00 31.44 H new ATOM 0 HD2 ARG A 10 10.142 7.233 -9.414 1.00 51.45 H new ATOM 0 HD3 ARG A 10 10.338 8.969 -9.542 1.00 51.45 H new ATOM 0 HE ARG A 10 7.826 7.480 -9.547 1.00 45.25 H new ATOM 0 HH11 ARG A 10 9.451 10.445 -10.562 1.00 53.11 H new ATOM 0 HH12 ARG A 10 7.954 11.382 -10.622 1.00 53.11 H new ATOM 0 HH21 ARG A 10 5.908 8.689 -9.627 1.00 51.20 H new ATOM 0 HH22 ARG A 10 5.956 10.391 -10.095 1.00 51.20 H new ATOM 168 N LEU A 11 12.630 4.148 -11.814 1.00 71.32 N ATOM 169 CA LEU A 11 13.792 3.266 -11.857 1.00 53.41 C ATOM 170 C LEU A 11 13.740 2.357 -13.081 1.00 23.25 C ATOM 171 O LEU A 11 14.762 2.093 -13.714 1.00 2.34 O ATOM 172 CB LEU A 11 13.864 2.423 -10.583 1.00 71.11 C ATOM 173 CG LEU A 11 14.816 1.227 -10.623 1.00 75.30 C ATOM 174 CD1 LEU A 11 15.494 1.039 -9.275 1.00 33.21 C ATOM 175 CD2 LEU A 11 14.068 -0.036 -11.027 1.00 4.01 C ATOM 0 H LEU A 11 12.046 4.036 -10.985 1.00 71.32 H new ATOM 0 HA LEU A 11 14.686 3.886 -11.926 1.00 53.41 H new ATOM 0 HB2 LEU A 11 14.161 3.071 -9.759 1.00 71.11 H new ATOM 0 HB3 LEU A 11 12.863 2.057 -10.356 1.00 71.11 H new ATOM 0 HG LEU A 11 15.586 1.424 -11.369 1.00 75.30 H new ATOM 0 HD11 LEU A 11 16.168 0.183 -9.323 1.00 33.21 H new ATOM 0 HD12 LEU A 11 16.063 1.935 -9.026 1.00 33.21 H new ATOM 0 HD13 LEU A 11 14.739 0.864 -8.509 1.00 33.21 H new ATOM 0 HD21 LEU A 11 14.761 -0.877 -11.050 1.00 4.01 H new ATOM 0 HD22 LEU A 11 13.277 -0.237 -10.305 1.00 4.01 H new ATOM 0 HD23 LEU A 11 13.630 0.101 -12.016 1.00 4.01 H new ATOM 187 N ALA A 12 12.543 1.882 -13.409 1.00 22.15 N ATOM 188 CA ALA A 12 12.358 1.006 -14.559 1.00 31.35 C ATOM 189 C ALA A 12 12.747 1.710 -15.854 1.00 2.02 C ATOM 190 O ALA A 12 13.450 1.146 -16.691 1.00 65.41 O ATOM 191 CB ALA A 12 10.916 0.526 -14.629 1.00 72.33 C ATOM 0 H ALA A 12 11.687 2.089 -12.894 1.00 22.15 H new ATOM 0 HA ALA A 12 13.012 0.142 -14.436 1.00 31.35 H new ATOM 0 HB1 ALA A 12 10.792 -0.127 -15.493 1.00 72.33 H new ATOM 0 HB2 ALA A 12 10.671 -0.023 -13.720 1.00 72.33 H new ATOM 0 HB3 ALA A 12 10.251 1.384 -14.725 1.00 72.33 H new ATOM 197 N ALA A 13 12.285 2.946 -16.012 1.00 34.10 N ATOM 198 CA ALA A 13 12.586 3.727 -17.205 1.00 12.41 C ATOM 199 C ALA A 13 14.083 3.988 -17.327 1.00 23.20 C ATOM 200 O ALA A 13 14.656 3.873 -18.411 1.00 3.11 O ATOM 201 CB ALA A 13 11.820 5.042 -17.182 1.00 73.21 C ATOM 0 H ALA A 13 11.701 3.428 -15.329 1.00 34.10 H new ATOM 0 HA ALA A 13 12.272 3.151 -18.075 1.00 12.41 H new ATOM 0 HB1 ALA A 13 12.054 5.615 -18.079 1.00 73.21 H new ATOM 0 HB2 ALA A 13 10.750 4.839 -17.150 1.00 73.21 H new ATOM 0 HB3 ALA A 13 12.107 5.615 -16.300 1.00 73.21 H new ATOM 207 N ILE A 14 14.711 4.339 -16.210 1.00 0.12 N ATOM 208 CA ILE A 14 16.142 4.615 -16.193 1.00 1.22 C ATOM 209 C ILE A 14 16.945 3.379 -16.583 1.00 42.13 C ATOM 210 O ILE A 14 17.908 3.466 -17.346 1.00 20.42 O ATOM 211 CB ILE A 14 16.606 5.098 -14.806 1.00 31.33 C ATOM 212 CG1 ILE A 14 15.916 6.414 -14.442 1.00 52.15 C ATOM 213 CG2 ILE A 14 18.118 5.262 -14.780 1.00 62.43 C ATOM 214 CD1 ILE A 14 16.390 7.592 -15.265 1.00 31.22 C ATOM 0 H ILE A 14 14.251 4.439 -15.305 1.00 0.12 H new ATOM 0 HA ILE A 14 16.319 5.406 -16.922 1.00 1.22 H new ATOM 0 HB ILE A 14 16.329 4.347 -14.066 1.00 31.33 H new ATOM 0 HG12 ILE A 14 14.840 6.299 -14.573 1.00 52.15 H new ATOM 0 HG13 ILE A 14 16.088 6.626 -13.387 1.00 52.15 H new ATOM 0 HG21 ILE A 14 18.430 5.604 -13.793 1.00 62.43 H new ATOM 0 HG22 ILE A 14 18.592 4.305 -14.999 1.00 62.43 H new ATOM 0 HG23 ILE A 14 18.417 5.995 -15.529 1.00 62.43 H new ATOM 0 HD11 ILE A 14 15.859 8.491 -14.953 1.00 31.22 H new ATOM 0 HD12 ILE A 14 17.460 7.733 -15.116 1.00 31.22 H new ATOM 0 HD13 ILE A 14 16.193 7.402 -16.320 1.00 31.22 H new ATOM 226 N LYS A 15 16.542 2.228 -16.057 1.00 72.31 N ATOM 227 CA LYS A 15 17.221 0.971 -16.352 1.00 53.51 C ATOM 228 C LYS A 15 17.067 0.602 -17.824 1.00 55.30 C ATOM 229 O LYS A 15 18.019 0.158 -18.467 1.00 15.30 O ATOM 230 CB LYS A 15 16.665 -0.151 -15.473 1.00 20.12 C ATOM 231 CG LYS A 15 17.728 -1.112 -14.970 1.00 31.51 C ATOM 232 CD LYS A 15 17.252 -2.554 -15.036 1.00 63.14 C ATOM 233 CE LYS A 15 17.076 -3.017 -16.474 1.00 51.05 C ATOM 234 NZ LYS A 15 15.865 -3.867 -16.639 1.00 35.42 N ATOM 0 H LYS A 15 15.748 2.139 -15.423 1.00 72.31 H new ATOM 0 HA LYS A 15 18.282 1.101 -16.137 1.00 53.51 H new ATOM 0 HB2 LYS A 15 16.151 0.289 -14.618 1.00 20.12 H new ATOM 0 HB3 LYS A 15 15.920 -0.710 -16.040 1.00 20.12 H new ATOM 0 HG2 LYS A 15 18.633 -0.999 -15.566 1.00 31.51 H new ATOM 0 HG3 LYS A 15 17.990 -0.861 -13.942 1.00 31.51 H new ATOM 0 HD2 LYS A 15 17.970 -3.199 -14.530 1.00 63.14 H new ATOM 0 HD3 LYS A 15 16.306 -2.651 -14.503 1.00 63.14 H new ATOM 0 HE2 LYS A 15 17.002 -2.149 -17.129 1.00 51.05 H new ATOM 0 HE3 LYS A 15 17.958 -3.577 -16.786 1.00 51.05 H new ATOM 0 HZ1 LYS A 15 15.781 -4.162 -17.633 1.00 35.42 H new ATOM 0 HZ2 LYS A 15 15.947 -4.709 -16.034 1.00 35.42 H new ATOM 0 HZ3 LYS A 15 15.021 -3.325 -16.366 1.00 35.42 H new ATOM 248 N THR A 16 15.862 0.790 -18.354 1.00 34.24 N ATOM 249 CA THR A 16 15.583 0.477 -19.749 1.00 61.15 C ATOM 250 C THR A 16 16.491 1.270 -20.682 1.00 62.24 C ATOM 251 O THR A 16 17.200 0.696 -21.509 1.00 41.24 O ATOM 252 CB THR A 16 14.114 0.771 -20.109 1.00 24.11 C ATOM 253 OG1 THR A 16 13.243 -0.020 -19.293 1.00 53.31 O ATOM 254 CG2 THR A 16 13.847 0.477 -21.577 1.00 45.45 C ATOM 0 H THR A 16 15.064 1.158 -17.837 1.00 34.24 H new ATOM 0 HA THR A 16 15.774 -0.588 -19.878 1.00 61.15 H new ATOM 0 HB THR A 16 13.923 1.828 -19.926 1.00 24.11 H new ATOM 0 HG1 THR A 16 13.247 0.329 -18.377 1.00 53.31 H new ATOM 0 HG21 THR A 16 12.804 0.692 -21.807 1.00 45.45 H new ATOM 0 HG22 THR A 16 14.491 1.101 -22.196 1.00 45.45 H new ATOM 0 HG23 THR A 16 14.054 -0.573 -21.781 1.00 45.45 H new ATOM 262 N ARG A 17 16.465 2.591 -20.544 1.00 3.33 N ATOM 263 CA ARG A 17 17.287 3.463 -21.375 1.00 75.02 C ATOM 264 C ARG A 17 18.769 3.150 -21.193 1.00 12.15 C ATOM 265 O ARG A 17 19.547 3.205 -22.146 1.00 31.33 O ATOM 266 CB ARG A 17 17.018 4.930 -21.034 1.00 21.11 C ATOM 267 CG ARG A 17 15.985 5.586 -21.935 1.00 74.41 C ATOM 268 CD ARG A 17 14.633 4.898 -21.825 1.00 32.13 C ATOM 269 NE ARG A 17 13.557 5.713 -22.383 1.00 61.43 N ATOM 270 CZ ARG A 17 12.341 5.246 -22.643 1.00 33.03 C ATOM 271 NH1 ARG A 17 12.047 3.977 -22.395 1.00 0.13 N ATOM 272 NH2 ARG A 17 11.415 6.049 -23.151 1.00 0.42 N ATOM 0 H ARG A 17 15.884 3.082 -19.864 1.00 3.33 H new ATOM 0 HA ARG A 17 17.022 3.285 -22.417 1.00 75.02 H new ATOM 0 HB2 ARG A 17 16.681 4.998 -20.000 1.00 21.11 H new ATOM 0 HB3 ARG A 17 17.952 5.487 -21.102 1.00 21.11 H new ATOM 0 HG2 ARG A 17 15.882 6.638 -21.667 1.00 74.41 H new ATOM 0 HG3 ARG A 17 16.329 5.552 -22.969 1.00 74.41 H new ATOM 0 HD2 ARG A 17 14.670 3.941 -22.345 1.00 32.13 H new ATOM 0 HD3 ARG A 17 14.420 4.684 -20.778 1.00 32.13 H new ATOM 0 HE ARG A 17 13.750 6.694 -22.584 1.00 61.43 H new ATOM 0 HH11 ARG A 17 12.756 3.356 -22.003 1.00 0.13 H new ATOM 0 HH12 ARG A 17 11.112 3.621 -22.596 1.00 0.13 H new ATOM 0 HH21 ARG A 17 11.637 7.026 -23.342 1.00 0.42 H new ATOM 0 HH22 ARG A 17 10.482 5.689 -23.350 1.00 0.42 H new ATOM 286 N CYS A 18 19.152 2.823 -19.963 1.00 51.34 N ATOM 287 CA CYS A 18 20.541 2.503 -19.655 1.00 61.02 C ATOM 288 C CYS A 18 20.961 1.201 -20.329 1.00 63.13 C ATOM 289 O CYS A 18 22.070 1.092 -20.853 1.00 55.31 O ATOM 290 CB CYS A 18 20.738 2.395 -18.142 1.00 71.14 C ATOM 291 SG CYS A 18 21.827 1.044 -17.634 1.00 75.43 S ATOM 0 H CYS A 18 18.520 2.773 -19.164 1.00 51.34 H new ATOM 0 HA CYS A 18 21.167 3.308 -20.039 1.00 61.02 H new ATOM 0 HB2 CYS A 18 21.146 3.335 -17.772 1.00 71.14 H new ATOM 0 HB3 CYS A 18 19.765 2.261 -17.668 1.00 71.14 H new ATOM 0 HG CYS A 18 22.969 1.529 -17.247 1.00 75.43 H new ATOM 297 N GLN A 19 20.069 0.216 -20.310 1.00 41.01 N ATOM 298 CA GLN A 19 20.349 -1.080 -20.918 1.00 0.44 C ATOM 299 C GLN A 19 20.470 -0.956 -22.433 1.00 14.31 C ATOM 300 O GLN A 19 21.311 -1.605 -23.053 1.00 41.44 O ATOM 301 CB GLN A 19 19.249 -2.082 -20.562 1.00 4.41 C ATOM 302 CG GLN A 19 19.172 -2.399 -19.077 1.00 44.22 C ATOM 303 CD GLN A 19 19.487 -3.850 -18.773 1.00 64.34 C ATOM 304 OE1 GLN A 19 18.612 -4.714 -18.838 1.00 63.24 O ATOM 305 NE2 GLN A 19 20.742 -4.127 -18.439 1.00 45.53 N ATOM 0 H GLN A 19 19.147 0.290 -19.881 1.00 41.01 H new ATOM 0 HA GLN A 19 21.300 -1.440 -20.525 1.00 0.44 H new ATOM 0 HB2 GLN A 19 18.288 -1.686 -20.891 1.00 4.41 H new ATOM 0 HB3 GLN A 19 19.419 -3.006 -21.114 1.00 4.41 H new ATOM 0 HG2 GLN A 19 19.869 -1.759 -18.536 1.00 44.22 H new ATOM 0 HG3 GLN A 19 18.173 -2.164 -18.710 1.00 44.22 H new ATOM 0 HE21 GLN A 19 21.435 -3.380 -18.397 1.00 45.53 H new ATOM 0 HE22 GLN A 19 21.013 -5.087 -18.224 1.00 45.53 H new ATOM 314 N ALA A 20 19.622 -0.118 -23.022 1.00 65.35 N ATOM 315 CA ALA A 20 19.635 0.092 -24.465 1.00 24.32 C ATOM 316 C ALA A 20 20.771 1.024 -24.874 1.00 21.34 C ATOM 317 O ALA A 20 21.318 0.908 -25.971 1.00 42.12 O ATOM 318 CB ALA A 20 18.298 0.651 -24.929 1.00 25.42 C ATOM 0 H ALA A 20 18.918 0.426 -22.523 1.00 65.35 H new ATOM 0 HA ALA A 20 19.800 -0.872 -24.946 1.00 24.32 H new ATOM 0 HB1 ALA A 20 18.322 0.803 -26.008 1.00 25.42 H new ATOM 0 HB2 ALA A 20 17.503 -0.052 -24.679 1.00 25.42 H new ATOM 0 HB3 ALA A 20 18.110 1.603 -24.433 1.00 25.42 H new ATOM 324 N LEU A 21 21.121 1.948 -23.985 1.00 73.54 N ATOM 325 CA LEU A 21 22.192 2.901 -24.254 1.00 73.23 C ATOM 326 C LEU A 21 21.903 3.702 -25.520 1.00 13.03 C ATOM 327 O LEU A 21 22.491 3.454 -26.572 1.00 35.05 O ATOM 328 CB LEU A 21 23.528 2.170 -24.394 1.00 4.23 C ATOM 329 CG LEU A 21 24.040 1.462 -23.139 1.00 62.20 C ATOM 330 CD1 LEU A 21 25.248 0.598 -23.469 1.00 13.13 C ATOM 331 CD2 LEU A 21 24.386 2.475 -22.058 1.00 3.30 C ATOM 0 H LEU A 21 20.679 2.057 -23.072 1.00 73.54 H new ATOM 0 HA LEU A 21 22.249 3.593 -23.413 1.00 73.23 H new ATOM 0 HB2 LEU A 21 23.434 1.432 -25.190 1.00 4.23 H new ATOM 0 HB3 LEU A 21 24.281 2.890 -24.714 1.00 4.23 H new ATOM 0 HG LEU A 21 23.248 0.815 -22.762 1.00 62.20 H new ATOM 0 HD11 LEU A 21 25.599 0.102 -22.564 1.00 13.13 H new ATOM 0 HD12 LEU A 21 24.968 -0.152 -24.209 1.00 13.13 H new ATOM 0 HD13 LEU A 21 26.044 1.224 -23.871 1.00 13.13 H new ATOM 0 HD21 LEU A 21 24.749 1.953 -21.173 1.00 3.30 H new ATOM 0 HD22 LEU A 21 25.161 3.148 -22.425 1.00 3.30 H new ATOM 0 HD23 LEU A 21 23.497 3.051 -21.801 1.00 3.30 H new ATOM 343 N GLY A 22 20.994 4.666 -25.409 1.00 12.20 N ATOM 344 CA GLY A 22 20.644 5.491 -26.551 1.00 23.21 C ATOM 345 C GLY A 22 21.863 5.982 -27.306 1.00 43.21 C ATOM 346 O GLY A 22 21.825 6.138 -28.526 1.00 4.12 O ATOM 0 H GLY A 22 20.494 4.890 -24.549 1.00 12.20 H new ATOM 0 HA2 GLY A 22 20.008 4.920 -27.227 1.00 23.21 H new ATOM 0 HA3 GLY A 22 20.061 6.347 -26.212 1.00 23.21 H new ATOM 393 N GLU A 27 23.906 11.538 -21.370 1.00 1.33 N ATOM 394 CA GLU A 27 22.756 10.789 -20.878 1.00 14.30 C ATOM 395 C GLU A 27 23.179 9.776 -19.819 1.00 33.43 C ATOM 396 O GLU A 27 22.601 9.720 -18.732 1.00 62.43 O ATOM 397 CB GLU A 27 22.054 10.073 -22.034 1.00 14.04 C ATOM 398 CG GLU A 27 21.338 11.014 -22.988 1.00 15.02 C ATOM 399 CD GLU A 27 20.533 10.276 -24.041 1.00 2.44 C ATOM 400 OE1 GLU A 27 20.373 9.045 -23.909 1.00 32.24 O ATOM 401 OE2 GLU A 27 20.065 10.930 -24.996 1.00 32.21 O ATOM 0 HA GLU A 27 22.062 11.495 -20.423 1.00 14.30 H new ATOM 0 HB2 GLU A 27 22.790 9.494 -22.592 1.00 14.04 H new ATOM 0 HB3 GLU A 27 21.333 9.364 -21.627 1.00 14.04 H new ATOM 0 HG2 GLU A 27 20.675 11.666 -22.420 1.00 15.02 H new ATOM 0 HG3 GLU A 27 22.071 11.654 -23.479 1.00 15.02 H new ATOM 408 N CYS A 28 24.189 8.977 -20.143 1.00 71.43 N ATOM 409 CA CYS A 28 24.689 7.963 -19.221 1.00 2.40 C ATOM 410 C CYS A 28 25.074 8.588 -17.884 1.00 31.13 C ATOM 411 O CYS A 28 24.797 8.028 -16.823 1.00 51.04 O ATOM 412 CB CYS A 28 25.895 7.243 -19.827 1.00 13.12 C ATOM 413 SG CYS A 28 25.618 6.621 -21.502 1.00 35.33 S ATOM 0 H CYS A 28 24.678 9.011 -21.037 1.00 71.43 H new ATOM 0 HA CYS A 28 23.892 7.239 -19.048 1.00 2.40 H new ATOM 0 HB2 CYS A 28 26.744 7.927 -19.841 1.00 13.12 H new ATOM 0 HB3 CYS A 28 26.168 6.408 -19.182 1.00 13.12 H new ATOM 0 HG CYS A 28 26.694 6.030 -21.929 1.00 35.33 H new ATOM 419 N ALA A 29 25.715 9.750 -17.942 1.00 42.42 N ATOM 420 CA ALA A 29 26.138 10.451 -16.736 1.00 12.20 C ATOM 421 C ALA A 29 24.943 10.793 -15.852 1.00 51.05 C ATOM 422 O ALA A 29 24.925 10.472 -14.665 1.00 21.33 O ATOM 423 CB ALA A 29 26.905 11.713 -17.100 1.00 44.34 C ATOM 0 H ALA A 29 25.953 10.226 -18.812 1.00 42.42 H new ATOM 0 HA ALA A 29 26.796 9.789 -16.173 1.00 12.20 H new ATOM 0 HB1 ALA A 29 27.214 12.226 -16.189 1.00 44.34 H new ATOM 0 HB2 ALA A 29 27.786 11.448 -17.684 1.00 44.34 H new ATOM 0 HB3 ALA A 29 26.265 12.371 -17.688 1.00 44.34 H new ATOM 429 N ALA A 30 23.946 11.447 -16.440 1.00 63.02 N ATOM 430 CA ALA A 30 22.747 11.831 -15.706 1.00 51.13 C ATOM 431 C ALA A 30 22.082 10.617 -15.067 1.00 71.20 C ATOM 432 O ALA A 30 21.516 10.708 -13.977 1.00 43.13 O ATOM 433 CB ALA A 30 21.770 12.546 -16.628 1.00 62.24 C ATOM 0 H ALA A 30 23.945 11.722 -17.422 1.00 63.02 H new ATOM 0 HA ALA A 30 23.042 12.513 -14.908 1.00 51.13 H new ATOM 0 HB1 ALA A 30 20.879 12.827 -16.066 1.00 62.24 H new ATOM 0 HB2 ALA A 30 22.241 13.442 -17.033 1.00 62.24 H new ATOM 0 HB3 ALA A 30 21.489 11.882 -17.446 1.00 62.24 H new ATOM 439 N PHE A 31 22.153 9.480 -15.752 1.00 10.21 N ATOM 440 CA PHE A 31 21.556 8.247 -15.251 1.00 40.43 C ATOM 441 C PHE A 31 22.276 7.766 -13.995 1.00 71.41 C ATOM 442 O PHE A 31 21.645 7.467 -12.982 1.00 14.41 O ATOM 443 CB PHE A 31 21.601 7.160 -16.327 1.00 41.42 C ATOM 444 CG PHE A 31 20.409 7.171 -17.240 1.00 53.25 C ATOM 445 CD1 PHE A 31 19.842 8.368 -17.648 1.00 0.24 C ATOM 446 CD2 PHE A 31 19.854 5.984 -17.691 1.00 42.14 C ATOM 447 CE1 PHE A 31 18.745 8.382 -18.488 1.00 70.43 C ATOM 448 CE2 PHE A 31 18.758 5.991 -18.532 1.00 55.45 C ATOM 449 CZ PHE A 31 18.201 7.191 -18.930 1.00 45.54 C ATOM 0 H PHE A 31 22.618 9.387 -16.655 1.00 10.21 H new ATOM 0 HA PHE A 31 20.516 8.453 -14.996 1.00 40.43 H new ATOM 0 HB2 PHE A 31 22.506 7.286 -16.922 1.00 41.42 H new ATOM 0 HB3 PHE A 31 21.670 6.185 -15.845 1.00 41.42 H new ATOM 0 HD1 PHE A 31 20.263 9.302 -17.305 1.00 0.24 H new ATOM 0 HD2 PHE A 31 20.283 5.043 -17.381 1.00 42.14 H new ATOM 0 HE1 PHE A 31 18.313 9.322 -18.799 1.00 70.43 H new ATOM 0 HE2 PHE A 31 18.337 5.059 -18.878 1.00 55.45 H new ATOM 0 HZ PHE A 31 17.342 7.198 -19.585 1.00 45.54 H new ATOM 459 N GLU A 32 23.601 7.692 -14.071 1.00 61.01 N ATOM 460 CA GLU A 32 24.407 7.245 -12.941 1.00 34.02 C ATOM 461 C GLU A 32 24.132 8.098 -11.706 1.00 4.51 C ATOM 462 O GLU A 32 23.956 7.578 -10.604 1.00 12.40 O ATOM 463 CB GLU A 32 25.895 7.301 -13.293 1.00 33.03 C ATOM 464 CG GLU A 32 26.295 6.339 -14.399 1.00 1.41 C ATOM 465 CD GLU A 32 27.482 6.835 -15.202 1.00 1.43 C ATOM 466 OE1 GLU A 32 28.542 7.095 -14.594 1.00 31.41 O ATOM 467 OE2 GLU A 32 27.351 6.965 -16.437 1.00 24.43 O ATOM 0 H GLU A 32 24.139 7.936 -14.903 1.00 61.01 H new ATOM 0 HA GLU A 32 24.133 6.214 -12.717 1.00 34.02 H new ATOM 0 HB2 GLU A 32 26.150 8.316 -13.596 1.00 33.03 H new ATOM 0 HB3 GLU A 32 26.480 7.079 -12.400 1.00 33.03 H new ATOM 0 HG2 GLU A 32 26.536 5.370 -13.963 1.00 1.41 H new ATOM 0 HG3 GLU A 32 25.447 6.186 -15.067 1.00 1.41 H new ATOM 474 N LYS A 33 24.099 9.413 -11.898 1.00 33.20 N ATOM 475 CA LYS A 33 23.846 10.340 -10.802 1.00 15.50 C ATOM 476 C LYS A 33 22.464 10.107 -10.199 1.00 71.34 C ATOM 477 O LYS A 33 22.332 9.881 -8.997 1.00 71.11 O ATOM 478 CB LYS A 33 23.962 11.785 -11.292 1.00 51.44 C ATOM 479 CG LYS A 33 25.228 12.485 -10.828 1.00 54.23 C ATOM 480 CD LYS A 33 26.362 12.302 -11.822 1.00 44.21 C ATOM 481 CE LYS A 33 26.750 13.620 -12.475 1.00 14.31 C ATOM 482 NZ LYS A 33 27.518 14.495 -11.546 1.00 71.40 N ATOM 0 H LYS A 33 24.244 9.860 -12.803 1.00 33.20 H new ATOM 0 HA LYS A 33 24.595 10.163 -10.030 1.00 15.50 H new ATOM 0 HB2 LYS A 33 23.930 11.794 -12.382 1.00 51.44 H new ATOM 0 HB3 LYS A 33 23.097 12.349 -10.943 1.00 51.44 H new ATOM 0 HG2 LYS A 33 25.029 13.548 -10.694 1.00 54.23 H new ATOM 0 HG3 LYS A 33 25.527 12.092 -9.857 1.00 54.23 H new ATOM 0 HD2 LYS A 33 27.228 11.878 -11.313 1.00 44.21 H new ATOM 0 HD3 LYS A 33 26.062 11.589 -12.590 1.00 44.21 H new ATOM 0 HE2 LYS A 33 27.348 13.422 -13.365 1.00 14.31 H new ATOM 0 HE3 LYS A 33 25.851 14.141 -12.804 1.00 14.31 H new ATOM 0 HZ1 LYS A 33 27.763 15.383 -12.029 1.00 71.40 H new ATOM 0 HZ2 LYS A 33 26.939 14.705 -10.708 1.00 71.40 H new ATOM 0 HZ3 LYS A 33 28.389 14.009 -11.252 1.00 71.40 H new ATOM 496 N GLU A 34 21.438 10.161 -11.043 1.00 41.33 N ATOM 497 CA GLU A 34 20.067 9.955 -10.592 1.00 71.33 C ATOM 498 C GLU A 34 19.946 8.660 -9.793 1.00 4.41 C ATOM 499 O GLU A 34 19.351 8.637 -8.715 1.00 52.44 O ATOM 500 CB GLU A 34 19.113 9.919 -11.788 1.00 41.12 C ATOM 501 CG GLU A 34 17.964 10.908 -11.680 1.00 23.30 C ATOM 502 CD GLU A 34 16.987 10.795 -12.834 1.00 42.31 C ATOM 503 OE1 GLU A 34 17.335 11.236 -13.950 1.00 13.12 O ATOM 504 OE2 GLU A 34 15.876 10.267 -12.622 1.00 52.21 O ATOM 0 H GLU A 34 21.531 10.346 -12.042 1.00 41.33 H new ATOM 0 HA GLU A 34 19.796 10.789 -9.944 1.00 71.33 H new ATOM 0 HB2 GLU A 34 19.676 10.127 -12.698 1.00 41.12 H new ATOM 0 HB3 GLU A 34 18.707 8.912 -11.888 1.00 41.12 H new ATOM 0 HG2 GLU A 34 17.434 10.742 -10.742 1.00 23.30 H new ATOM 0 HG3 GLU A 34 18.364 11.921 -11.645 1.00 23.30 H new ATOM 511 N ILE A 35 20.515 7.586 -10.329 1.00 21.20 N ATOM 512 CA ILE A 35 20.472 6.288 -9.666 1.00 50.41 C ATOM 513 C ILE A 35 21.149 6.346 -8.301 1.00 64.31 C ATOM 514 O ILE A 35 20.633 5.815 -7.318 1.00 64.10 O ATOM 515 CB ILE A 35 21.149 5.198 -10.518 1.00 4.45 C ATOM 516 CG1 ILE A 35 20.341 4.939 -11.790 1.00 73.32 C ATOM 517 CG2 ILE A 35 21.305 3.917 -9.712 1.00 1.43 C ATOM 518 CD1 ILE A 35 18.994 4.300 -11.531 1.00 24.32 C ATOM 0 H ILE A 35 21.011 7.588 -11.220 1.00 21.20 H new ATOM 0 HA ILE A 35 19.420 6.034 -9.536 1.00 50.41 H new ATOM 0 HB ILE A 35 22.141 5.546 -10.806 1.00 4.45 H new ATOM 0 HG12 ILE A 35 20.191 5.883 -12.314 1.00 73.32 H new ATOM 0 HG13 ILE A 35 20.918 4.294 -12.453 1.00 73.32 H new ATOM 0 HG21 ILE A 35 21.785 3.156 -10.327 1.00 1.43 H new ATOM 0 HG22 ILE A 35 21.919 4.113 -8.833 1.00 1.43 H new ATOM 0 HG23 ILE A 35 20.323 3.563 -9.398 1.00 1.43 H new ATOM 0 HD11 ILE A 35 18.476 4.146 -12.478 1.00 24.32 H new ATOM 0 HD12 ILE A 35 19.136 3.340 -11.034 1.00 24.32 H new ATOM 0 HD13 ILE A 35 18.398 4.953 -10.894 1.00 24.32 H new ATOM 530 N ALA A 36 22.308 6.995 -8.248 1.00 52.13 N ATOM 531 CA ALA A 36 23.054 7.126 -7.003 1.00 63.52 C ATOM 532 C ALA A 36 22.196 7.755 -5.912 1.00 14.04 C ATOM 533 O ALA A 36 22.126 7.246 -4.793 1.00 53.52 O ATOM 534 CB ALA A 36 24.314 7.949 -7.227 1.00 60.00 C ATOM 0 H ALA A 36 22.750 7.438 -9.053 1.00 52.13 H new ATOM 0 HA ALA A 36 23.339 6.127 -6.673 1.00 63.52 H new ATOM 0 HB1 ALA A 36 24.861 8.039 -6.289 1.00 60.00 H new ATOM 0 HB2 ALA A 36 24.943 7.457 -7.969 1.00 60.00 H new ATOM 0 HB3 ALA A 36 24.041 8.942 -7.584 1.00 60.00 H new ATOM 540 N ALA A 37 21.544 8.865 -6.244 1.00 20.31 N ATOM 541 CA ALA A 37 20.689 9.563 -5.292 1.00 31.41 C ATOM 542 C ALA A 37 19.466 8.724 -4.935 1.00 2.11 C ATOM 543 O ALA A 37 18.979 8.768 -3.805 1.00 40.31 O ATOM 544 CB ALA A 37 20.261 10.910 -5.855 1.00 63.34 C ATOM 0 H ALA A 37 21.592 9.300 -7.165 1.00 20.31 H new ATOM 0 HA ALA A 37 21.263 9.729 -4.380 1.00 31.41 H new ATOM 0 HB1 ALA A 37 19.623 11.420 -5.133 1.00 63.34 H new ATOM 0 HB2 ALA A 37 21.143 11.519 -6.053 1.00 63.34 H new ATOM 0 HB3 ALA A 37 19.710 10.758 -6.783 1.00 63.34 H new ATOM 550 N PHE A 38 18.974 7.961 -5.905 1.00 41.02 N ATOM 551 CA PHE A 38 17.807 7.113 -5.693 1.00 54.45 C ATOM 552 C PHE A 38 18.076 6.079 -4.604 1.00 53.14 C ATOM 553 O PHE A 38 17.333 5.984 -3.628 1.00 71.20 O ATOM 554 CB PHE A 38 17.418 6.410 -6.996 1.00 14.15 C ATOM 555 CG PHE A 38 16.108 6.880 -7.562 1.00 63.44 C ATOM 556 CD1 PHE A 38 15.809 8.231 -7.621 1.00 53.15 C ATOM 557 CD2 PHE A 38 15.177 5.970 -8.037 1.00 24.54 C ATOM 558 CE1 PHE A 38 14.604 8.666 -8.142 1.00 23.42 C ATOM 559 CE2 PHE A 38 13.971 6.398 -8.558 1.00 44.15 C ATOM 560 CZ PHE A 38 13.685 7.748 -8.612 1.00 40.11 C ATOM 0 H PHE A 38 19.365 7.912 -6.846 1.00 41.02 H new ATOM 0 HA PHE A 38 16.982 7.747 -5.370 1.00 54.45 H new ATOM 0 HB2 PHE A 38 18.203 6.571 -7.735 1.00 14.15 H new ATOM 0 HB3 PHE A 38 17.364 5.336 -6.818 1.00 14.15 H new ATOM 0 HD1 PHE A 38 16.525 8.953 -7.256 1.00 53.15 H new ATOM 0 HD2 PHE A 38 15.397 4.913 -7.999 1.00 24.54 H new ATOM 0 HE1 PHE A 38 14.382 9.722 -8.181 1.00 23.42 H new ATOM 0 HE2 PHE A 38 13.253 5.678 -8.922 1.00 44.15 H new ATOM 0 HZ PHE A 38 12.744 8.086 -9.021 1.00 40.11 H new ATOM 570 N GLU A 39 19.143 5.306 -4.781 1.00 0.50 N ATOM 571 CA GLU A 39 19.509 4.278 -3.814 1.00 43.21 C ATOM 572 C GLU A 39 19.863 4.900 -2.466 1.00 43.13 C ATOM 573 O GLU A 39 19.517 4.365 -1.413 1.00 61.45 O ATOM 574 CB GLU A 39 20.690 3.455 -4.334 1.00 54.12 C ATOM 575 CG GLU A 39 21.920 4.288 -4.651 1.00 40.34 C ATOM 576 CD GLU A 39 23.051 3.461 -5.230 1.00 44.12 C ATOM 577 OE1 GLU A 39 23.041 2.227 -5.043 1.00 32.32 O ATOM 578 OE2 GLU A 39 23.948 4.049 -5.871 1.00 54.23 O ATOM 0 H GLU A 39 19.768 5.372 -5.584 1.00 0.50 H new ATOM 0 HA GLU A 39 18.650 3.622 -3.677 1.00 43.21 H new ATOM 0 HB2 GLU A 39 20.953 2.703 -3.590 1.00 54.12 H new ATOM 0 HB3 GLU A 39 20.382 2.921 -5.233 1.00 54.12 H new ATOM 0 HG2 GLU A 39 21.650 5.073 -5.357 1.00 40.34 H new ATOM 0 HG3 GLU A 39 22.264 4.782 -3.742 1.00 40.34 H new ATOM 585 N SER A 40 20.556 6.034 -2.508 1.00 61.30 N ATOM 586 CA SER A 40 20.961 6.727 -1.291 1.00 5.01 C ATOM 587 C SER A 40 19.747 7.275 -0.548 1.00 10.22 C ATOM 588 O SER A 40 19.751 7.377 0.678 1.00 33.45 O ATOM 589 CB SER A 40 21.926 7.866 -1.625 1.00 2.50 C ATOM 590 OG SER A 40 22.130 8.708 -0.503 1.00 74.11 O ATOM 0 H SER A 40 20.848 6.492 -3.371 1.00 61.30 H new ATOM 0 HA SER A 40 21.467 6.009 -0.645 1.00 5.01 H new ATOM 0 HB2 SER A 40 22.880 7.454 -1.952 1.00 2.50 H new ATOM 0 HB3 SER A 40 21.530 8.451 -2.455 1.00 2.50 H new ATOM 0 HG SER A 40 22.752 9.427 -0.742 1.00 74.11 H new ATOM 596 N GLU A 41 18.709 7.627 -1.301 1.00 5.12 N ATOM 597 CA GLU A 41 17.488 8.166 -0.714 1.00 23.12 C ATOM 598 C GLU A 41 16.582 7.043 -0.216 1.00 44.14 C ATOM 599 O GLU A 41 15.830 7.216 0.744 1.00 63.13 O ATOM 600 CB GLU A 41 16.740 9.025 -1.736 1.00 24.51 C ATOM 601 CG GLU A 41 17.295 10.433 -1.870 1.00 33.13 C ATOM 602 CD GLU A 41 16.520 11.273 -2.866 1.00 72.34 C ATOM 603 OE1 GLU A 41 15.280 11.134 -2.921 1.00 13.04 O ATOM 604 OE2 GLU A 41 17.153 12.068 -3.592 1.00 75.31 O ATOM 0 H GLU A 41 18.690 7.549 -2.318 1.00 5.12 H new ATOM 0 HA GLU A 41 17.768 8.788 0.136 1.00 23.12 H new ATOM 0 HB2 GLU A 41 16.779 8.534 -2.708 1.00 24.51 H new ATOM 0 HB3 GLU A 41 15.690 9.083 -1.450 1.00 24.51 H new ATOM 0 HG2 GLU A 41 17.276 10.921 -0.896 1.00 33.13 H new ATOM 0 HG3 GLU A 41 18.339 10.380 -2.179 1.00 33.13 H new ATOM 611 N LEU A 42 16.659 5.893 -0.876 1.00 63.14 N ATOM 612 CA LEU A 42 15.846 4.741 -0.503 1.00 24.53 C ATOM 613 C LEU A 42 16.442 4.023 0.704 1.00 34.24 C ATOM 614 O LEU A 42 15.719 3.423 1.499 1.00 31.44 O ATOM 615 CB LEU A 42 15.729 3.771 -1.680 1.00 41.01 C ATOM 616 CG LEU A 42 15.011 4.305 -2.920 1.00 32.30 C ATOM 617 CD1 LEU A 42 15.523 3.612 -4.173 1.00 71.12 C ATOM 618 CD2 LEU A 42 13.506 4.122 -2.785 1.00 1.25 C ATOM 0 H LEU A 42 17.276 5.733 -1.672 1.00 63.14 H new ATOM 0 HA LEU A 42 14.852 5.100 -0.236 1.00 24.53 H new ATOM 0 HB2 LEU A 42 16.733 3.461 -1.971 1.00 41.01 H new ATOM 0 HB3 LEU A 42 15.206 2.878 -1.338 1.00 41.01 H new ATOM 0 HG LEU A 42 15.221 5.371 -3.007 1.00 32.30 H new ATOM 0 HD11 LEU A 42 15.001 4.005 -5.045 1.00 71.12 H new ATOM 0 HD12 LEU A 42 16.593 3.794 -4.278 1.00 71.12 H new ATOM 0 HD13 LEU A 42 15.343 2.540 -4.095 1.00 71.12 H new ATOM 0 HD21 LEU A 42 13.011 4.508 -3.676 1.00 1.25 H new ATOM 0 HD22 LEU A 42 13.277 3.062 -2.673 1.00 1.25 H new ATOM 0 HD23 LEU A 42 13.151 4.665 -1.909 1.00 1.25 H new ATOM 630 N GLN A 43 17.763 4.091 0.835 1.00 15.32 N ATOM 631 CA GLN A 43 18.454 3.449 1.947 1.00 70.04 C ATOM 632 C GLN A 43 18.267 4.242 3.236 1.00 51.34 C ATOM 633 O GLN A 43 18.461 3.718 4.332 1.00 0.41 O ATOM 634 CB GLN A 43 19.944 3.306 1.633 1.00 4.15 C ATOM 635 CG GLN A 43 20.721 4.606 1.765 1.00 1.23 C ATOM 636 CD GLN A 43 21.638 4.618 2.972 1.00 3.23 C ATOM 637 OE1 GLN A 43 21.307 4.070 4.024 1.00 72.11 O ATOM 638 NE2 GLN A 43 22.800 5.245 2.827 1.00 11.13 N ATOM 0 H GLN A 43 18.376 4.584 0.185 1.00 15.32 H new ATOM 0 HA GLN A 43 18.022 2.458 2.087 1.00 70.04 H new ATOM 0 HB2 GLN A 43 20.378 2.563 2.302 1.00 4.15 H new ATOM 0 HB3 GLN A 43 20.058 2.926 0.618 1.00 4.15 H new ATOM 0 HG2 GLN A 43 21.312 4.765 0.863 1.00 1.23 H new ATOM 0 HG3 GLN A 43 20.020 5.438 1.838 1.00 1.23 H new ATOM 0 HE21 GLN A 43 23.034 5.686 1.937 1.00 11.13 H new ATOM 0 HE22 GLN A 43 23.458 5.286 3.605 1.00 11.13 H new ATOM 647 N ALA A 44 17.889 5.509 3.096 1.00 61.24 N ATOM 648 CA ALA A 44 17.674 6.374 4.249 1.00 62.21 C ATOM 649 C ALA A 44 16.301 6.133 4.867 1.00 3.44 C ATOM 650 O ALA A 44 16.046 6.525 6.006 1.00 34.35 O ATOM 651 CB ALA A 44 17.827 7.834 3.849 1.00 32.12 C ATOM 0 H ALA A 44 17.726 5.959 2.195 1.00 61.24 H new ATOM 0 HA ALA A 44 18.428 6.134 4.999 1.00 62.21 H new ATOM 0 HB1 ALA A 44 17.664 8.469 4.720 1.00 32.12 H new ATOM 0 HB2 ALA A 44 18.832 8.002 3.461 1.00 32.12 H new ATOM 0 HB3 ALA A 44 17.095 8.079 3.079 1.00 32.12 H new ATOM 764 N GLU A 52 12.585 -4.385 1.213 1.00 3.11 N ATOM 765 CA GLU A 52 12.137 -4.000 -0.120 1.00 64.43 C ATOM 766 C GLU A 52 13.164 -3.099 -0.800 1.00 61.23 C ATOM 767 O GLU A 52 13.380 -3.188 -2.009 1.00 45.40 O ATOM 768 CB GLU A 52 10.787 -3.285 -0.042 1.00 70.23 C ATOM 769 CG GLU A 52 10.733 -2.200 1.020 1.00 45.24 C ATOM 770 CD GLU A 52 9.479 -1.353 0.925 1.00 4.42 C ATOM 771 OE1 GLU A 52 8.618 -1.661 0.075 1.00 62.40 O ATOM 772 OE2 GLU A 52 9.359 -0.381 1.701 1.00 62.25 O ATOM 0 HA GLU A 52 12.025 -4.907 -0.714 1.00 64.43 H new ATOM 0 HB2 GLU A 52 10.563 -2.843 -1.013 1.00 70.23 H new ATOM 0 HB3 GLU A 52 10.008 -4.019 0.161 1.00 70.23 H new ATOM 0 HG2 GLU A 52 10.782 -2.660 2.007 1.00 45.24 H new ATOM 0 HG3 GLU A 52 11.609 -1.558 0.923 1.00 45.24 H new ATOM 779 N VAL A 53 13.794 -2.231 -0.014 1.00 72.55 N ATOM 780 CA VAL A 53 14.798 -1.314 -0.539 1.00 41.12 C ATOM 781 C VAL A 53 16.048 -2.064 -0.986 1.00 72.11 C ATOM 782 O VAL A 53 16.777 -1.606 -1.864 1.00 44.44 O ATOM 783 CB VAL A 53 15.194 -0.257 0.508 1.00 4.34 C ATOM 784 CG1 VAL A 53 16.291 0.647 -0.033 1.00 65.03 C ATOM 785 CG2 VAL A 53 13.980 0.558 0.929 1.00 63.25 C ATOM 0 H VAL A 53 13.626 -2.144 0.988 1.00 72.55 H new ATOM 0 HA VAL A 53 14.351 -0.814 -1.399 1.00 41.12 H new ATOM 0 HB VAL A 53 15.581 -0.771 1.388 1.00 4.34 H new ATOM 0 HG11 VAL A 53 16.557 1.387 0.721 1.00 65.03 H new ATOM 0 HG12 VAL A 53 17.168 0.048 -0.279 1.00 65.03 H new ATOM 0 HG13 VAL A 53 15.935 1.154 -0.930 1.00 65.03 H new ATOM 0 HG21 VAL A 53 14.279 1.300 1.669 1.00 63.25 H new ATOM 0 HG22 VAL A 53 13.561 1.062 0.058 1.00 63.25 H new ATOM 0 HG23 VAL A 53 13.230 -0.104 1.361 1.00 63.25 H new ATOM 795 N GLU A 54 16.287 -3.220 -0.375 1.00 65.34 N ATOM 796 CA GLU A 54 17.450 -4.034 -0.711 1.00 20.10 C ATOM 797 C GLU A 54 17.547 -4.249 -2.219 1.00 11.13 C ATOM 798 O GLU A 54 18.606 -4.059 -2.817 1.00 34.35 O ATOM 799 CB GLU A 54 17.378 -5.385 0.004 1.00 4.12 C ATOM 800 CG GLU A 54 17.246 -5.268 1.513 1.00 24.44 C ATOM 801 CD GLU A 54 18.590 -5.214 2.214 1.00 42.31 C ATOM 802 OE1 GLU A 54 19.453 -6.063 1.910 1.00 23.31 O ATOM 803 OE2 GLU A 54 18.778 -4.320 3.066 1.00 22.43 O ATOM 0 H GLU A 54 15.692 -3.614 0.354 1.00 65.34 H new ATOM 0 HA GLU A 54 18.342 -3.502 -0.379 1.00 20.10 H new ATOM 0 HB2 GLU A 54 16.529 -5.947 -0.384 1.00 4.12 H new ATOM 0 HB3 GLU A 54 18.274 -5.959 -0.231 1.00 4.12 H new ATOM 0 HG2 GLU A 54 16.678 -4.370 1.756 1.00 24.44 H new ATOM 0 HG3 GLU A 54 16.677 -6.117 1.891 1.00 24.44 H new ATOM 810 N ALA A 55 16.434 -4.646 -2.826 1.00 72.44 N ATOM 811 CA ALA A 55 16.392 -4.886 -4.264 1.00 0.14 C ATOM 812 C ALA A 55 16.622 -3.595 -5.042 1.00 71.02 C ATOM 813 O ALA A 55 17.264 -3.598 -6.093 1.00 51.24 O ATOM 814 CB ALA A 55 15.062 -5.511 -4.656 1.00 33.40 C ATOM 0 H ALA A 55 15.549 -4.808 -2.345 1.00 72.44 H new ATOM 0 HA ALA A 55 17.195 -5.579 -4.516 1.00 0.14 H new ATOM 0 HB1 ALA A 55 15.045 -5.685 -5.732 1.00 33.40 H new ATOM 0 HB2 ALA A 55 14.938 -6.459 -4.133 1.00 33.40 H new ATOM 0 HB3 ALA A 55 14.249 -4.838 -4.384 1.00 33.40 H new ATOM 820 N LEU A 56 16.094 -2.493 -4.521 1.00 34.31 N ATOM 821 CA LEU A 56 16.241 -1.194 -5.168 1.00 33.11 C ATOM 822 C LEU A 56 17.702 -0.757 -5.186 1.00 61.44 C ATOM 823 O LEU A 56 18.242 -0.405 -6.235 1.00 72.44 O ATOM 824 CB LEU A 56 15.392 -0.145 -4.448 1.00 0.32 C ATOM 825 CG LEU A 56 14.212 0.421 -5.238 1.00 15.11 C ATOM 826 CD1 LEU A 56 13.390 -0.703 -5.849 1.00 63.52 C ATOM 827 CD2 LEU A 56 13.342 1.295 -4.345 1.00 61.34 C ATOM 0 H LEU A 56 15.560 -2.473 -3.652 1.00 34.31 H new ATOM 0 HA LEU A 56 15.896 -1.287 -6.198 1.00 33.11 H new ATOM 0 HB2 LEU A 56 15.009 -0.586 -3.528 1.00 0.32 H new ATOM 0 HB3 LEU A 56 16.040 0.682 -4.159 1.00 0.32 H new ATOM 0 HG LEU A 56 14.604 1.038 -6.047 1.00 15.11 H new ATOM 0 HD11 LEU A 56 12.555 -0.281 -6.407 1.00 63.52 H new ATOM 0 HD12 LEU A 56 14.017 -1.288 -6.521 1.00 63.52 H new ATOM 0 HD13 LEU A 56 13.008 -1.347 -5.057 1.00 63.52 H new ATOM 0 HD21 LEU A 56 12.507 1.689 -4.924 1.00 61.34 H new ATOM 0 HD22 LEU A 56 12.960 0.700 -3.515 1.00 61.34 H new ATOM 0 HD23 LEU A 56 13.936 2.122 -3.955 1.00 61.34 H new ATOM 839 N ARG A 57 18.337 -0.785 -4.019 1.00 43.33 N ATOM 840 CA ARG A 57 19.737 -0.393 -3.902 1.00 15.33 C ATOM 841 C ARG A 57 20.631 -1.320 -4.719 1.00 5.11 C ATOM 842 O ARG A 57 21.613 -0.883 -5.320 1.00 3.34 O ATOM 843 CB ARG A 57 20.171 -0.409 -2.435 1.00 43.11 C ATOM 844 CG ARG A 57 20.047 -1.774 -1.778 1.00 41.21 C ATOM 845 CD ARG A 57 20.541 -1.747 -0.340 1.00 15.21 C ATOM 846 NE ARG A 57 21.956 -2.093 -0.240 1.00 73.42 N ATOM 847 CZ ARG A 57 22.543 -2.464 0.892 1.00 65.41 C ATOM 848 NH1 ARG A 57 21.842 -2.537 2.014 1.00 15.03 N ATOM 849 NH2 ARG A 57 23.836 -2.764 0.902 1.00 20.34 N ATOM 0 H ARG A 57 17.905 -1.075 -3.142 1.00 43.33 H new ATOM 0 HA ARG A 57 19.840 0.619 -4.293 1.00 15.33 H new ATOM 0 HB2 ARG A 57 21.207 -0.075 -2.368 1.00 43.11 H new ATOM 0 HB3 ARG A 57 19.568 0.309 -1.879 1.00 43.11 H new ATOM 0 HG2 ARG A 57 19.006 -2.097 -1.800 1.00 41.21 H new ATOM 0 HG3 ARG A 57 20.620 -2.506 -2.347 1.00 41.21 H new ATOM 0 HD2 ARG A 57 20.380 -0.754 0.080 1.00 15.21 H new ATOM 0 HD3 ARG A 57 19.954 -2.445 0.258 1.00 15.21 H new ATOM 0 HE ARG A 57 22.525 -2.047 -1.086 1.00 73.42 H new ATOM 0 HH11 ARG A 57 20.848 -2.308 2.010 1.00 15.03 H new ATOM 0 HH12 ARG A 57 22.296 -2.822 2.882 1.00 15.03 H new ATOM 0 HH21 ARG A 57 24.379 -2.710 0.040 1.00 20.34 H new ATOM 0 HH22 ARG A 57 24.287 -3.049 1.772 1.00 20.34 H new ATOM 863 N LYS A 58 20.286 -2.603 -4.736 1.00 42.25 N ATOM 864 CA LYS A 58 21.056 -3.593 -5.480 1.00 4.23 C ATOM 865 C LYS A 58 21.049 -3.280 -6.973 1.00 14.55 C ATOM 866 O LYS A 58 22.103 -3.148 -7.593 1.00 72.23 O ATOM 867 CB LYS A 58 20.491 -4.995 -5.239 1.00 3.50 C ATOM 868 CG LYS A 58 21.226 -6.085 -5.999 1.00 21.32 C ATOM 869 CD LYS A 58 21.484 -7.299 -5.121 1.00 45.25 C ATOM 870 CE LYS A 58 22.829 -7.201 -4.416 1.00 55.42 C ATOM 871 NZ LYS A 58 23.334 -8.537 -3.997 1.00 71.21 N ATOM 0 H LYS A 58 19.478 -2.982 -4.243 1.00 42.25 H new ATOM 0 HA LYS A 58 22.086 -3.557 -5.125 1.00 4.23 H new ATOM 0 HB2 LYS A 58 20.532 -5.216 -4.172 1.00 3.50 H new ATOM 0 HB3 LYS A 58 19.440 -5.009 -5.527 1.00 3.50 H new ATOM 0 HG2 LYS A 58 20.640 -6.382 -6.869 1.00 21.32 H new ATOM 0 HG3 LYS A 58 22.174 -5.695 -6.371 1.00 21.32 H new ATOM 0 HD2 LYS A 58 20.689 -7.389 -4.380 1.00 45.25 H new ATOM 0 HD3 LYS A 58 21.456 -8.203 -5.730 1.00 45.25 H new ATOM 0 HE2 LYS A 58 23.554 -6.731 -5.080 1.00 55.42 H new ATOM 0 HE3 LYS A 58 22.734 -6.558 -3.541 1.00 55.42 H new ATOM 0 HZ1 LYS A 58 24.252 -8.427 -3.521 1.00 71.21 H new ATOM 0 HZ2 LYS A 58 22.655 -8.975 -3.343 1.00 71.21 H new ATOM 0 HZ3 LYS A 58 23.449 -9.143 -4.834 1.00 71.21 H new ATOM 885 N GLU A 59 19.853 -3.160 -7.541 1.00 50.13 N ATOM 886 CA GLU A 59 19.710 -2.861 -8.961 1.00 71.24 C ATOM 887 C GLU A 59 20.409 -1.552 -9.315 1.00 13.50 C ATOM 888 O GLU A 59 21.104 -1.460 -10.326 1.00 63.21 O ATOM 889 CB GLU A 59 18.230 -2.781 -9.342 1.00 30.12 C ATOM 890 CG GLU A 59 17.527 -4.128 -9.340 1.00 22.34 C ATOM 891 CD GLU A 59 16.546 -4.276 -10.486 1.00 72.20 C ATOM 892 OE1 GLU A 59 15.589 -3.477 -10.555 1.00 74.51 O ATOM 893 OE2 GLU A 59 16.736 -5.191 -11.314 1.00 72.44 O ATOM 0 H GLU A 59 18.971 -3.265 -7.040 1.00 50.13 H new ATOM 0 HA GLU A 59 20.180 -3.667 -9.524 1.00 71.24 H new ATOM 0 HB2 GLU A 59 17.720 -2.114 -8.647 1.00 30.12 H new ATOM 0 HB3 GLU A 59 18.142 -2.336 -10.333 1.00 30.12 H new ATOM 0 HG2 GLU A 59 18.271 -4.922 -9.399 1.00 22.34 H new ATOM 0 HG3 GLU A 59 16.998 -4.256 -8.395 1.00 22.34 H new ATOM 900 N ALA A 60 20.218 -0.540 -8.474 1.00 54.05 N ATOM 901 CA ALA A 60 20.830 0.764 -8.697 1.00 31.04 C ATOM 902 C ALA A 60 22.344 0.644 -8.830 1.00 62.35 C ATOM 903 O ALA A 60 22.928 1.103 -9.811 1.00 44.32 O ATOM 904 CB ALA A 60 20.472 1.715 -7.564 1.00 61.10 C ATOM 0 H ALA A 60 19.644 -0.599 -7.633 1.00 54.05 H new ATOM 0 HA ALA A 60 20.440 1.166 -9.632 1.00 31.04 H new ATOM 0 HB1 ALA A 60 20.936 2.685 -7.743 1.00 61.10 H new ATOM 0 HB2 ALA A 60 19.389 1.833 -7.517 1.00 61.10 H new ATOM 0 HB3 ALA A 60 20.834 1.309 -6.620 1.00 61.10 H new ATOM 910 N ALA A 61 22.974 0.024 -7.838 1.00 31.31 N ATOM 911 CA ALA A 61 24.420 -0.158 -7.846 1.00 42.20 C ATOM 912 C ALA A 61 24.876 -0.879 -9.110 1.00 51.42 C ATOM 913 O ALA A 61 25.867 -0.496 -9.731 1.00 22.11 O ATOM 914 CB ALA A 61 24.863 -0.926 -6.609 1.00 74.05 C ATOM 0 H ALA A 61 22.505 -0.361 -7.018 1.00 31.31 H new ATOM 0 HA ALA A 61 24.885 0.828 -7.834 1.00 42.20 H new ATOM 0 HB1 ALA A 61 25.945 -1.054 -6.629 1.00 74.05 H new ATOM 0 HB2 ALA A 61 24.580 -0.371 -5.715 1.00 74.05 H new ATOM 0 HB3 ALA A 61 24.382 -1.904 -6.596 1.00 74.05 H new ATOM 920 N ALA A 62 24.146 -1.924 -9.485 1.00 40.14 N ATOM 921 CA ALA A 62 24.475 -2.697 -10.676 1.00 70.34 C ATOM 922 C ALA A 62 24.424 -1.827 -11.928 1.00 35.14 C ATOM 923 O ALA A 62 25.303 -1.906 -12.786 1.00 75.13 O ATOM 924 CB ALA A 62 23.529 -3.881 -10.815 1.00 40.10 C ATOM 0 H ALA A 62 23.323 -2.255 -8.981 1.00 40.14 H new ATOM 0 HA ALA A 62 25.493 -3.070 -10.566 1.00 70.34 H new ATOM 0 HB1 ALA A 62 23.786 -4.449 -11.709 1.00 40.10 H new ATOM 0 HB2 ALA A 62 23.618 -4.523 -9.939 1.00 40.10 H new ATOM 0 HB3 ALA A 62 22.504 -3.520 -10.897 1.00 40.10 H new ATOM 930 N ILE A 63 23.389 -0.999 -12.024 1.00 41.23 N ATOM 931 CA ILE A 63 23.224 -0.114 -13.171 1.00 3.12 C ATOM 932 C ILE A 63 24.383 0.872 -13.275 1.00 14.40 C ATOM 933 O ILE A 63 24.873 1.156 -14.368 1.00 25.12 O ATOM 934 CB ILE A 63 21.902 0.671 -13.090 1.00 52.34 C ATOM 935 CG1 ILE A 63 20.713 -0.292 -13.049 1.00 5.42 C ATOM 936 CG2 ILE A 63 21.778 1.623 -14.271 1.00 23.10 C ATOM 937 CD1 ILE A 63 19.569 0.198 -12.189 1.00 51.05 C ATOM 0 H ILE A 63 22.653 -0.922 -11.322 1.00 41.23 H new ATOM 0 HA ILE A 63 23.207 -0.746 -14.059 1.00 3.12 H new ATOM 0 HB ILE A 63 21.902 1.259 -12.172 1.00 52.34 H new ATOM 0 HG12 ILE A 63 20.351 -0.453 -14.064 1.00 5.42 H new ATOM 0 HG13 ILE A 63 21.051 -1.258 -12.674 1.00 5.42 H new ATOM 0 HG21 ILE A 63 20.838 2.171 -14.200 1.00 23.10 H new ATOM 0 HG22 ILE A 63 22.610 2.327 -14.260 1.00 23.10 H new ATOM 0 HG23 ILE A 63 21.797 1.054 -15.201 1.00 23.10 H new ATOM 0 HD11 ILE A 63 18.761 -0.534 -12.206 1.00 51.05 H new ATOM 0 HD12 ILE A 63 19.916 0.332 -11.164 1.00 51.05 H new ATOM 0 HD13 ILE A 63 19.205 1.150 -12.576 1.00 51.05 H new ATOM 949 N ARG A 64 24.816 1.391 -12.131 1.00 31.25 N ATOM 950 CA ARG A 64 25.917 2.345 -12.093 1.00 4.24 C ATOM 951 C ARG A 64 27.231 1.675 -12.485 1.00 0.13 C ATOM 952 O ARG A 64 28.087 2.289 -13.122 1.00 53.41 O ATOM 953 CB ARG A 64 26.042 2.958 -10.696 1.00 72.33 C ATOM 954 CG ARG A 64 27.064 4.080 -10.612 1.00 72.52 C ATOM 955 CD ARG A 64 28.118 3.795 -9.554 1.00 32.33 C ATOM 956 NE ARG A 64 29.064 4.898 -9.412 1.00 54.51 N ATOM 957 CZ ARG A 64 29.847 5.063 -8.352 1.00 42.43 C ATOM 958 NH1 ARG A 64 29.799 4.200 -7.347 1.00 15.41 N ATOM 959 NH2 ARG A 64 30.682 6.093 -8.297 1.00 3.11 N ATOM 0 H ARG A 64 24.421 1.167 -11.218 1.00 31.25 H new ATOM 0 HA ARG A 64 25.703 3.136 -12.812 1.00 4.24 H new ATOM 0 HB2 ARG A 64 25.069 3.341 -10.388 1.00 72.33 H new ATOM 0 HB3 ARG A 64 26.315 2.175 -9.988 1.00 72.33 H new ATOM 0 HG2 ARG A 64 27.545 4.208 -11.581 1.00 72.52 H new ATOM 0 HG3 ARG A 64 26.559 5.018 -10.380 1.00 72.52 H new ATOM 0 HD2 ARG A 64 27.630 3.611 -8.597 1.00 32.33 H new ATOM 0 HD3 ARG A 64 28.658 2.886 -9.817 1.00 32.33 H new ATOM 0 HE ARG A 64 29.127 5.579 -10.168 1.00 54.51 H new ATOM 0 HH11 ARG A 64 29.159 3.406 -7.386 1.00 15.41 H new ATOM 0 HH12 ARG A 64 30.402 4.330 -6.534 1.00 15.41 H new ATOM 0 HH21 ARG A 64 30.723 6.758 -9.069 1.00 3.11 H new ATOM 0 HH22 ARG A 64 31.283 6.219 -7.483 1.00 3.11 H new ATOM 973 N ASP A 65 27.383 0.413 -12.099 1.00 45.10 N ATOM 974 CA ASP A 65 28.592 -0.341 -12.410 1.00 43.25 C ATOM 975 C ASP A 65 28.717 -0.571 -13.913 1.00 43.23 C ATOM 976 O ASP A 65 29.776 -0.347 -14.499 1.00 23.25 O ATOM 977 CB ASP A 65 28.586 -1.682 -11.676 1.00 31.24 C ATOM 978 CG ASP A 65 28.525 -1.517 -10.170 1.00 34.02 C ATOM 979 OD1 ASP A 65 28.847 -0.414 -9.680 1.00 31.21 O ATOM 980 OD2 ASP A 65 28.154 -2.490 -9.481 1.00 75.33 O ATOM 0 H ASP A 65 26.684 -0.109 -11.570 1.00 45.10 H new ATOM 0 HA ASP A 65 29.450 0.243 -12.077 1.00 43.25 H new ATOM 0 HB2 ASP A 65 27.732 -2.271 -12.009 1.00 31.24 H new ATOM 0 HB3 ASP A 65 29.483 -2.242 -11.941 1.00 31.24 H new ATOM 985 N GLU A 66 27.629 -1.020 -14.531 1.00 11.41 N ATOM 986 CA GLU A 66 27.619 -1.281 -15.965 1.00 75.53 C ATOM 987 C GLU A 66 27.835 0.006 -16.755 1.00 43.20 C ATOM 988 O GLU A 66 28.601 0.034 -17.719 1.00 50.03 O ATOM 989 CB GLU A 66 26.295 -1.929 -16.378 1.00 64.44 C ATOM 990 CG GLU A 66 25.070 -1.145 -15.940 1.00 43.30 C ATOM 991 CD GLU A 66 23.772 -1.828 -16.324 1.00 10.43 C ATOM 992 OE1 GLU A 66 23.329 -1.656 -17.478 1.00 41.54 O ATOM 993 OE2 GLU A 66 23.199 -2.535 -15.468 1.00 50.43 O ATOM 0 H GLU A 66 26.744 -1.210 -14.061 1.00 11.41 H new ATOM 0 HA GLU A 66 28.437 -1.966 -16.189 1.00 75.53 H new ATOM 0 HB2 GLU A 66 26.277 -2.039 -17.462 1.00 64.44 H new ATOM 0 HB3 GLU A 66 26.244 -2.932 -15.955 1.00 64.44 H new ATOM 0 HG2 GLU A 66 25.098 -1.008 -14.859 1.00 43.30 H new ATOM 0 HG3 GLU A 66 25.100 -0.152 -16.388 1.00 43.30 H new ATOM 1000 N CYS A 67 27.156 1.069 -16.340 1.00 12.24 N ATOM 1001 CA CYS A 67 27.272 2.360 -17.008 1.00 42.33 C ATOM 1002 C CYS A 67 28.708 2.872 -16.957 1.00 21.23 C ATOM 1003 O CYS A 67 29.213 3.431 -17.930 1.00 14.21 O ATOM 1004 CB CYS A 67 26.332 3.379 -16.363 1.00 34.02 C ATOM 1005 SG CYS A 67 24.580 3.079 -16.694 1.00 15.22 S ATOM 0 H CYS A 67 26.519 1.062 -15.543 1.00 12.24 H new ATOM 0 HA CYS A 67 26.990 2.227 -18.052 1.00 42.33 H new ATOM 0 HB2 CYS A 67 26.493 3.375 -15.285 1.00 34.02 H new ATOM 0 HB3 CYS A 67 26.593 4.375 -16.720 1.00 34.02 H new ATOM 0 HG CYS A 67 24.130 2.180 -15.870 1.00 15.22 H new ATOM 1011 N GLN A 68 29.359 2.677 -15.815 1.00 4.34 N ATOM 1012 CA GLN A 68 30.737 3.121 -15.636 1.00 13.41 C ATOM 1013 C GLN A 68 31.698 2.249 -16.437 1.00 1.43 C ATOM 1014 O GLN A 68 32.749 2.712 -16.880 1.00 54.20 O ATOM 1015 CB GLN A 68 31.116 3.092 -14.154 1.00 43.04 C ATOM 1016 CG GLN A 68 30.340 4.088 -13.308 1.00 31.44 C ATOM 1017 CD GLN A 68 31.215 5.201 -12.767 1.00 0.21 C ATOM 1018 OE1 GLN A 68 31.637 5.169 -11.611 1.00 24.43 O ATOM 1019 NE2 GLN A 68 31.493 6.195 -13.603 1.00 15.14 N ATOM 0 H GLN A 68 28.955 2.215 -15.000 1.00 4.34 H new ATOM 0 HA GLN A 68 30.813 4.145 -16.003 1.00 13.41 H new ATOM 0 HB2 GLN A 68 30.948 2.088 -13.764 1.00 43.04 H new ATOM 0 HB3 GLN A 68 32.182 3.298 -14.056 1.00 43.04 H new ATOM 0 HG2 GLN A 68 29.538 4.520 -13.907 1.00 31.44 H new ATOM 0 HG3 GLN A 68 29.870 3.564 -12.476 1.00 31.44 H new ATOM 0 HE21 GLN A 68 31.122 6.181 -14.553 1.00 15.14 H new ATOM 0 HE22 GLN A 68 32.077 6.972 -13.295 1.00 15.14 H new ATOM 1028 N ALA A 69 31.331 0.985 -16.618 1.00 23.13 N ATOM 1029 CA ALA A 69 32.160 0.049 -17.366 1.00 64.44 C ATOM 1030 C ALA A 69 31.999 0.253 -18.869 1.00 20.41 C ATOM 1031 O ALA A 69 32.746 -0.316 -19.666 1.00 54.21 O ATOM 1032 CB ALA A 69 31.815 -1.383 -16.986 1.00 75.40 C ATOM 0 H ALA A 69 30.465 0.586 -16.257 1.00 23.13 H new ATOM 0 HA ALA A 69 33.202 0.240 -17.109 1.00 64.44 H new ATOM 0 HB1 ALA A 69 32.442 -2.071 -17.553 1.00 75.40 H new ATOM 0 HB2 ALA A 69 31.988 -1.528 -15.920 1.00 75.40 H new ATOM 0 HB3 ALA A 69 30.767 -1.577 -17.213 1.00 75.40 H new ATOM 1038 N TYR A 70 31.020 1.066 -19.249 1.00 20.01 N ATOM 1039 CA TYR A 70 30.759 1.342 -20.657 1.00 11.24 C ATOM 1040 C TYR A 70 31.444 2.633 -21.095 1.00 13.24 C ATOM 1041 O TYR A 70 31.967 2.726 -22.205 1.00 73.32 O ATOM 1042 CB TYR A 70 29.253 1.440 -20.908 1.00 22.20 C ATOM 1043 CG TYR A 70 28.504 0.163 -20.599 1.00 52.52 C ATOM 1044 CD1 TYR A 70 29.118 -1.076 -20.734 1.00 1.33 C ATOM 1045 CD2 TYR A 70 27.182 0.196 -20.174 1.00 55.31 C ATOM 1046 CE1 TYR A 70 28.437 -2.245 -20.453 1.00 42.44 C ATOM 1047 CE2 TYR A 70 26.493 -0.967 -19.890 1.00 64.41 C ATOM 1048 CZ TYR A 70 27.125 -2.185 -20.032 1.00 23.25 C ATOM 1049 OH TYR A 70 26.443 -3.347 -19.751 1.00 51.21 O ATOM 0 H TYR A 70 30.394 1.546 -18.602 1.00 20.01 H new ATOM 0 HA TYR A 70 31.166 0.519 -21.244 1.00 11.24 H new ATOM 0 HB2 TYR A 70 28.844 2.248 -20.301 1.00 22.20 H new ATOM 0 HB3 TYR A 70 29.083 1.708 -21.951 1.00 22.20 H new ATOM 0 HD1 TYR A 70 30.145 -1.126 -21.064 1.00 1.33 H new ATOM 0 HD2 TYR A 70 26.684 1.148 -20.064 1.00 55.31 H new ATOM 0 HE1 TYR A 70 28.929 -3.200 -20.562 1.00 42.44 H new ATOM 0 HE2 TYR A 70 25.466 -0.923 -19.559 1.00 64.41 H new ATOM 0 HH TYR A 70 25.531 -3.130 -19.466 1.00 51.21 H new ATOM 1059 N ARG A 71 31.437 3.628 -20.213 1.00 34.41 N ATOM 1060 CA ARG A 71 32.056 4.914 -20.507 1.00 41.12 C ATOM 1061 C ARG A 71 32.821 5.439 -19.296 1.00 13.34 C ATOM 1062 O ARG A 71 32.679 6.602 -18.915 1.00 62.11 O ATOM 1063 CB ARG A 71 30.994 5.930 -20.933 1.00 65.12 C ATOM 1064 CG ARG A 71 31.558 7.114 -21.701 1.00 2.41 C ATOM 1065 CD ARG A 71 30.539 7.682 -22.676 1.00 51.21 C ATOM 1066 NE ARG A 71 31.083 7.807 -24.026 1.00 1.44 N ATOM 1067 CZ ARG A 71 31.177 6.792 -24.877 1.00 53.43 C ATOM 1068 NH1 ARG A 71 30.764 5.584 -24.521 1.00 61.33 N ATOM 1069 NH2 ARG A 71 31.684 6.985 -26.088 1.00 55.53 N ATOM 0 H ARG A 71 31.009 3.567 -19.289 1.00 34.41 H new ATOM 0 HA ARG A 71 32.761 4.771 -21.326 1.00 41.12 H new ATOM 0 HB2 ARG A 71 30.250 5.428 -21.551 1.00 65.12 H new ATOM 0 HB3 ARG A 71 30.477 6.296 -20.046 1.00 65.12 H new ATOM 0 HG2 ARG A 71 31.865 7.891 -21.000 1.00 2.41 H new ATOM 0 HG3 ARG A 71 32.450 6.804 -22.245 1.00 2.41 H new ATOM 0 HD2 ARG A 71 29.660 7.038 -22.698 1.00 51.21 H new ATOM 0 HD3 ARG A 71 30.209 8.660 -22.326 1.00 51.21 H new ATOM 0 HE ARG A 71 31.408 8.724 -24.332 1.00 1.44 H new ATOM 0 HH11 ARG A 71 30.373 5.432 -23.591 1.00 61.33 H new ATOM 0 HH12 ARG A 71 30.837 4.806 -25.177 1.00 61.33 H new ATOM 0 HH21 ARG A 71 32.002 7.914 -26.366 1.00 55.53 H new ATOM 0 HH22 ARG A 71 31.756 6.205 -26.741 1.00 55.53 H new