USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=7 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 19 GLN : amide:sc= -0.208 X(o=0.48,f=0.69) USER MOD Set 1.2: A 70 TYR OH : rot 98:sc= 0.687 USER MOD Set 2.1: A 18 CYS SG : rot 123:sc= 0.987 USER MOD Set 2.2: A 67 CYS SG : rot 72:sc= 1.65 USER MOD Single : A 3 SER OG : rot 18:sc= 0.826 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0716 X(o=-0.072,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 74:sc= 0.598 USER MOD Single : A 28 CYS SG : rot 180:sc= 0.04 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= -0.167 K(o=-0.17,f=-1.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 3 5.505 5.108 -2.825 1.00 22.41 N ATOM 26 CA SER A 3 6.435 5.590 -3.839 1.00 41.12 C ATOM 27 C SER A 3 7.230 4.435 -4.441 1.00 11.21 C ATOM 28 O SER A 3 8.352 4.619 -4.912 1.00 23.01 O ATOM 29 CB SER A 3 7.390 6.622 -3.236 1.00 62.11 C ATOM 30 OG SER A 3 6.976 7.001 -1.935 1.00 50.11 O ATOM 0 HA SER A 3 5.856 6.062 -4.633 1.00 41.12 H new ATOM 0 HB2 SER A 3 8.398 6.209 -3.194 1.00 62.11 H new ATOM 0 HB3 SER A 3 7.432 7.502 -3.878 1.00 62.11 H new ATOM 0 HG SER A 3 6.346 6.336 -1.585 1.00 50.11 H new ATOM 36 N TRP A 4 6.639 3.246 -4.421 1.00 65.12 N ATOM 37 CA TRP A 4 7.292 2.060 -4.965 1.00 32.14 C ATOM 38 C TRP A 4 7.143 2.004 -6.481 1.00 64.40 C ATOM 39 O TRP A 4 8.133 1.914 -7.208 1.00 35.24 O ATOM 40 CB TRP A 4 6.704 0.796 -4.335 1.00 61.21 C ATOM 41 CG TRP A 4 7.280 -0.470 -4.895 1.00 2.42 C ATOM 42 CD1 TRP A 4 6.989 -1.039 -6.102 1.00 5.14 C ATOM 43 CD2 TRP A 4 8.244 -1.323 -4.268 1.00 42.22 C ATOM 44 NE1 TRP A 4 7.715 -2.195 -6.263 1.00 53.20 N ATOM 45 CE2 TRP A 4 8.493 -2.391 -5.153 1.00 13.42 C ATOM 46 CE3 TRP A 4 8.923 -1.288 -3.047 1.00 42.24 C ATOM 47 CZ2 TRP A 4 9.390 -3.412 -4.852 1.00 74.34 C ATOM 48 CZ3 TRP A 4 9.813 -2.303 -2.751 1.00 12.33 C ATOM 49 CH2 TRP A 4 10.040 -3.353 -3.650 1.00 43.21 C ATOM 0 H TRP A 4 5.710 3.077 -4.035 1.00 65.12 H new ATOM 0 HA TRP A 4 8.354 2.117 -4.725 1.00 32.14 H new ATOM 0 HB2 TRP A 4 6.877 0.821 -3.259 1.00 61.21 H new ATOM 0 HB3 TRP A 4 5.624 0.793 -4.484 1.00 61.21 H new ATOM 0 HD1 TRP A 4 6.291 -0.640 -6.823 1.00 5.14 H new ATOM 0 HE1 TRP A 4 7.680 -2.808 -7.078 1.00 53.20 H new ATOM 0 HE3 TRP A 4 8.755 -0.482 -2.347 1.00 42.24 H new ATOM 0 HZ2 TRP A 4 9.567 -4.223 -5.544 1.00 74.34 H new ATOM 0 HZ3 TRP A 4 10.343 -2.286 -1.810 1.00 12.33 H new ATOM 0 HH2 TRP A 4 10.742 -4.131 -3.389 1.00 43.21 H new ATOM 60 N ALA A 5 5.902 2.057 -6.952 1.00 51.32 N ATOM 61 CA ALA A 5 5.625 2.015 -8.383 1.00 23.23 C ATOM 62 C ALA A 5 6.456 3.050 -9.134 1.00 22.34 C ATOM 63 O ALA A 5 7.062 2.745 -10.160 1.00 44.31 O ATOM 64 CB ALA A 5 4.142 2.238 -8.640 1.00 64.24 C ATOM 0 H ALA A 5 5.072 2.129 -6.364 1.00 51.32 H new ATOM 0 HA ALA A 5 5.902 1.028 -8.753 1.00 23.23 H new ATOM 0 HB1 ALA A 5 3.949 2.204 -9.712 1.00 64.24 H new ATOM 0 HB2 ALA A 5 3.565 1.458 -8.143 1.00 64.24 H new ATOM 0 HB3 ALA A 5 3.847 3.212 -8.249 1.00 64.24 H new ATOM 70 N GLU A 6 6.478 4.274 -8.615 1.00 25.52 N ATOM 71 CA GLU A 6 7.234 5.353 -9.239 1.00 4.35 C ATOM 72 C GLU A 6 8.720 5.011 -9.302 1.00 41.12 C ATOM 73 O GLU A 6 9.376 5.229 -10.321 1.00 74.45 O ATOM 74 CB GLU A 6 7.033 6.659 -8.466 1.00 61.24 C ATOM 75 CG GLU A 6 5.968 7.562 -9.065 1.00 50.11 C ATOM 76 CD GLU A 6 6.398 8.177 -10.383 1.00 1.44 C ATOM 77 OE1 GLU A 6 7.418 7.725 -10.943 1.00 25.12 O ATOM 78 OE2 GLU A 6 5.715 9.111 -10.853 1.00 62.10 O ATOM 0 H GLU A 6 5.982 4.542 -7.765 1.00 25.52 H new ATOM 0 HA GLU A 6 6.864 5.480 -10.257 1.00 4.35 H new ATOM 0 HB2 GLU A 6 6.762 6.424 -7.437 1.00 61.24 H new ATOM 0 HB3 GLU A 6 7.979 7.200 -8.431 1.00 61.24 H new ATOM 0 HG2 GLU A 6 5.054 6.988 -9.217 1.00 50.11 H new ATOM 0 HG3 GLU A 6 5.731 8.357 -8.358 1.00 50.11 H new ATOM 85 N PHE A 7 9.245 4.475 -8.206 1.00 22.24 N ATOM 86 CA PHE A 7 10.654 4.104 -8.135 1.00 73.31 C ATOM 87 C PHE A 7 10.976 3.000 -9.138 1.00 42.02 C ATOM 88 O PHE A 7 11.997 3.048 -9.825 1.00 72.12 O ATOM 89 CB PHE A 7 11.011 3.643 -6.721 1.00 5.15 C ATOM 90 CG PHE A 7 11.809 4.652 -5.945 1.00 42.32 C ATOM 91 CD1 PHE A 7 11.389 5.970 -5.860 1.00 34.44 C ATOM 92 CD2 PHE A 7 12.980 4.284 -5.303 1.00 21.44 C ATOM 93 CE1 PHE A 7 12.120 6.901 -5.147 1.00 22.13 C ATOM 94 CE2 PHE A 7 13.715 5.210 -4.588 1.00 5.21 C ATOM 95 CZ PHE A 7 13.286 6.521 -4.511 1.00 33.31 C ATOM 0 H PHE A 7 8.716 4.287 -7.354 1.00 22.24 H new ATOM 0 HA PHE A 7 11.249 4.983 -8.384 1.00 73.31 H new ATOM 0 HB2 PHE A 7 10.093 3.422 -6.177 1.00 5.15 H new ATOM 0 HB3 PHE A 7 11.577 2.714 -6.783 1.00 5.15 H new ATOM 0 HD1 PHE A 7 10.479 6.273 -6.357 1.00 34.44 H new ATOM 0 HD2 PHE A 7 13.322 3.261 -5.362 1.00 21.44 H new ATOM 0 HE1 PHE A 7 11.780 7.924 -5.087 1.00 22.13 H new ATOM 0 HE2 PHE A 7 14.625 4.909 -4.089 1.00 5.21 H new ATOM 0 HZ PHE A 7 13.861 7.247 -3.955 1.00 33.31 H new ATOM 105 N LYS A 8 10.099 2.005 -9.217 1.00 13.43 N ATOM 106 CA LYS A 8 10.287 0.889 -10.135 1.00 63.23 C ATOM 107 C LYS A 8 10.183 1.353 -11.585 1.00 22.04 C ATOM 108 O LYS A 8 10.956 0.922 -12.440 1.00 0.30 O ATOM 109 CB LYS A 8 9.250 -0.203 -9.863 1.00 24.33 C ATOM 110 CG LYS A 8 9.524 -1.000 -8.599 1.00 10.12 C ATOM 111 CD LYS A 8 10.838 -1.757 -8.691 1.00 30.54 C ATOM 112 CE LYS A 8 10.615 -3.262 -8.689 1.00 22.12 C ATOM 113 NZ LYS A 8 11.594 -3.969 -9.560 1.00 43.23 N ATOM 0 H LYS A 8 9.250 1.949 -8.655 1.00 13.43 H new ATOM 0 HA LYS A 8 11.285 0.482 -9.972 1.00 63.23 H new ATOM 0 HB2 LYS A 8 8.264 0.255 -9.787 1.00 24.33 H new ATOM 0 HB3 LYS A 8 9.221 -0.885 -10.713 1.00 24.33 H new ATOM 0 HG2 LYS A 8 9.550 -0.327 -7.742 1.00 10.12 H new ATOM 0 HG3 LYS A 8 8.709 -1.703 -8.427 1.00 10.12 H new ATOM 0 HD2 LYS A 8 11.363 -1.467 -9.601 1.00 30.54 H new ATOM 0 HD3 LYS A 8 11.477 -1.482 -7.852 1.00 30.54 H new ATOM 0 HE2 LYS A 8 10.697 -3.640 -7.670 1.00 22.12 H new ATOM 0 HE3 LYS A 8 9.603 -3.480 -9.029 1.00 22.12 H new ATOM 0 HZ1 LYS A 8 11.409 -4.992 -9.531 1.00 43.23 H new ATOM 0 HZ2 LYS A 8 11.499 -3.627 -10.538 1.00 43.23 H new ATOM 0 HZ3 LYS A 8 12.559 -3.782 -9.220 1.00 43.23 H new ATOM 127 N GLN A 9 9.225 2.234 -11.852 1.00 14.03 N ATOM 128 CA GLN A 9 9.021 2.756 -13.198 1.00 4.53 C ATOM 129 C GLN A 9 10.254 3.515 -13.679 1.00 52.00 C ATOM 130 O GLN A 9 10.855 3.162 -14.694 1.00 54.30 O ATOM 131 CB GLN A 9 7.798 3.674 -13.232 1.00 73.42 C ATOM 132 CG GLN A 9 6.935 3.491 -14.470 1.00 61.25 C ATOM 133 CD GLN A 9 7.351 4.399 -15.611 1.00 21.12 C ATOM 134 OE1 GLN A 9 7.799 3.933 -16.659 1.00 52.10 O ATOM 135 NE2 GLN A 9 7.205 5.704 -15.412 1.00 60.23 N ATOM 0 H GLN A 9 8.578 2.601 -11.154 1.00 14.03 H new ATOM 0 HA GLN A 9 8.852 1.912 -13.866 1.00 4.53 H new ATOM 0 HB2 GLN A 9 7.191 3.490 -12.346 1.00 73.42 H new ATOM 0 HB3 GLN A 9 8.131 4.711 -13.181 1.00 73.42 H new ATOM 0 HG2 GLN A 9 6.992 2.453 -14.798 1.00 61.25 H new ATOM 0 HG3 GLN A 9 5.894 3.688 -14.215 1.00 61.25 H new ATOM 0 HE21 GLN A 9 6.829 6.046 -14.528 1.00 60.23 H new ATOM 0 HE22 GLN A 9 7.468 6.364 -16.144 1.00 60.23 H new ATOM 144 N ARG A 10 10.625 4.558 -12.944 1.00 53.52 N ATOM 145 CA ARG A 10 11.785 5.368 -13.297 1.00 73.13 C ATOM 146 C ARG A 10 13.035 4.502 -13.419 1.00 62.10 C ATOM 147 O ARG A 10 13.830 4.667 -14.345 1.00 43.41 O ATOM 148 CB ARG A 10 12.008 6.461 -12.251 1.00 23.14 C ATOM 149 CG ARG A 10 13.338 7.182 -12.397 1.00 64.32 C ATOM 150 CD ARG A 10 14.314 6.779 -11.302 1.00 52.31 C ATOM 151 NE ARG A 10 15.203 7.877 -10.931 1.00 33.25 N ATOM 152 CZ ARG A 10 14.791 8.979 -10.313 1.00 65.23 C ATOM 153 NH1 ARG A 10 13.512 9.129 -10.000 1.00 20.24 N ATOM 154 NH2 ARG A 10 15.661 9.933 -10.008 1.00 0.50 N ATOM 0 H ARG A 10 10.139 4.862 -12.100 1.00 53.52 H new ATOM 0 HA ARG A 10 11.591 5.834 -14.263 1.00 73.13 H new ATOM 0 HB2 ARG A 10 11.200 7.189 -12.321 1.00 23.14 H new ATOM 0 HB3 ARG A 10 11.952 6.017 -11.257 1.00 23.14 H new ATOM 0 HG2 ARG A 10 13.770 6.957 -13.372 1.00 64.32 H new ATOM 0 HG3 ARG A 10 13.175 8.259 -12.362 1.00 64.32 H new ATOM 0 HD2 ARG A 10 13.758 6.450 -10.424 1.00 52.31 H new ATOM 0 HD3 ARG A 10 14.908 5.930 -11.640 1.00 52.31 H new ATOM 0 HE ARG A 10 16.194 7.793 -11.159 1.00 33.25 H new ATOM 0 HH11 ARG A 10 12.841 8.397 -10.233 1.00 20.24 H new ATOM 0 HH12 ARG A 10 13.199 9.976 -9.526 1.00 20.24 H new ATOM 0 HH21 ARG A 10 16.646 9.821 -10.248 1.00 0.50 H new ATOM 0 HH22 ARG A 10 15.345 10.779 -9.534 1.00 0.50 H new ATOM 168 N LEU A 11 13.203 3.579 -12.478 1.00 61.05 N ATOM 169 CA LEU A 11 14.357 2.687 -12.480 1.00 21.45 C ATOM 170 C LEU A 11 14.378 1.825 -13.738 1.00 42.21 C ATOM 171 O LEU A 11 15.433 1.598 -14.329 1.00 65.00 O ATOM 172 CB LEU A 11 14.338 1.794 -11.237 1.00 53.23 C ATOM 173 CG LEU A 11 15.002 2.370 -9.986 1.00 41.44 C ATOM 174 CD1 LEU A 11 14.497 1.662 -8.739 1.00 60.22 C ATOM 175 CD2 LEU A 11 16.516 2.260 -10.088 1.00 44.52 C ATOM 0 H LEU A 11 12.555 3.429 -11.705 1.00 61.05 H new ATOM 0 HA LEU A 11 15.258 3.300 -12.467 1.00 21.45 H new ATOM 0 HB2 LEU A 11 13.301 1.560 -10.998 1.00 53.23 H new ATOM 0 HB3 LEU A 11 14.829 0.852 -11.483 1.00 53.23 H new ATOM 0 HG LEU A 11 14.738 3.425 -9.911 1.00 41.44 H new ATOM 0 HD11 LEU A 11 14.981 2.086 -7.859 1.00 60.22 H new ATOM 0 HD12 LEU A 11 13.418 1.793 -8.658 1.00 60.22 H new ATOM 0 HD13 LEU A 11 14.730 0.599 -8.805 1.00 60.22 H new ATOM 0 HD21 LEU A 11 16.972 2.675 -9.189 1.00 44.52 H new ATOM 0 HD22 LEU A 11 16.799 1.212 -10.188 1.00 44.52 H new ATOM 0 HD23 LEU A 11 16.863 2.814 -10.960 1.00 44.52 H new ATOM 187 N ALA A 12 13.205 1.350 -14.144 1.00 1.24 N ATOM 188 CA ALA A 12 13.088 0.518 -15.334 1.00 63.34 C ATOM 189 C ALA A 12 13.517 1.282 -16.583 1.00 34.14 C ATOM 190 O ALA A 12 14.263 0.765 -17.413 1.00 25.33 O ATOM 191 CB ALA A 12 11.662 0.012 -15.487 1.00 34.53 C ATOM 0 H ALA A 12 12.322 1.528 -13.665 1.00 1.24 H new ATOM 0 HA ALA A 12 13.754 -0.337 -15.216 1.00 63.34 H new ATOM 0 HB1 ALA A 12 11.590 -0.608 -16.380 1.00 34.53 H new ATOM 0 HB2 ALA A 12 11.390 -0.579 -14.612 1.00 34.53 H new ATOM 0 HB3 ALA A 12 10.983 0.860 -15.578 1.00 34.53 H new ATOM 197 N ALA A 13 13.038 2.515 -16.709 1.00 0.30 N ATOM 198 CA ALA A 13 13.373 3.351 -17.856 1.00 33.25 C ATOM 199 C ALA A 13 14.867 3.655 -17.896 1.00 35.40 C ATOM 200 O ALA A 13 15.490 3.611 -18.957 1.00 73.31 O ATOM 201 CB ALA A 13 12.570 4.643 -17.819 1.00 61.12 C ATOM 0 H ALA A 13 12.417 2.957 -16.031 1.00 0.30 H new ATOM 0 HA ALA A 13 13.116 2.802 -18.762 1.00 33.25 H new ATOM 0 HB1 ALA A 13 12.830 5.258 -18.681 1.00 61.12 H new ATOM 0 HB2 ALA A 13 11.505 4.411 -17.847 1.00 61.12 H new ATOM 0 HB3 ALA A 13 12.799 5.187 -16.903 1.00 61.12 H new ATOM 207 N ILE A 14 15.434 3.963 -16.735 1.00 44.30 N ATOM 208 CA ILE A 14 16.855 4.274 -16.639 1.00 22.01 C ATOM 209 C ILE A 14 17.708 3.070 -17.025 1.00 5.45 C ATOM 210 O ILE A 14 18.724 3.208 -17.707 1.00 72.02 O ATOM 211 CB ILE A 14 17.238 4.726 -15.217 1.00 73.21 C ATOM 212 CG1 ILE A 14 16.579 6.067 -14.890 1.00 51.52 C ATOM 213 CG2 ILE A 14 18.750 4.825 -15.082 1.00 12.12 C ATOM 214 CD1 ILE A 14 16.722 6.473 -13.440 1.00 53.41 C ATOM 0 H ILE A 14 14.932 4.004 -15.848 1.00 44.30 H new ATOM 0 HA ILE A 14 17.047 5.091 -17.335 1.00 22.01 H new ATOM 0 HB ILE A 14 16.878 3.983 -14.506 1.00 73.21 H new ATOM 0 HG12 ILE A 14 17.017 6.841 -15.520 1.00 51.52 H new ATOM 0 HG13 ILE A 14 15.520 6.013 -15.141 1.00 51.52 H new ATOM 0 HG21 ILE A 14 19.005 5.145 -14.072 1.00 12.12 H new ATOM 0 HG22 ILE A 14 19.197 3.850 -15.277 1.00 12.12 H new ATOM 0 HG23 ILE A 14 19.133 5.550 -15.800 1.00 12.12 H new ATOM 0 HD11 ILE A 14 16.231 7.433 -13.281 1.00 53.41 H new ATOM 0 HD12 ILE A 14 16.259 5.719 -12.804 1.00 53.41 H new ATOM 0 HD13 ILE A 14 17.779 6.560 -13.189 1.00 53.41 H new ATOM 226 N LYS A 15 17.289 1.889 -16.584 1.00 53.12 N ATOM 227 CA LYS A 15 18.011 0.659 -16.885 1.00 44.00 C ATOM 228 C LYS A 15 17.969 0.355 -18.379 1.00 62.41 C ATOM 229 O LYS A 15 18.981 -0.014 -18.978 1.00 14.35 O ATOM 230 CB LYS A 15 17.417 -0.511 -16.098 1.00 61.43 C ATOM 231 CG LYS A 15 18.460 -1.371 -15.406 1.00 64.21 C ATOM 232 CD LYS A 15 18.357 -2.826 -15.833 1.00 53.21 C ATOM 233 CE LYS A 15 17.204 -3.531 -15.135 1.00 52.20 C ATOM 234 NZ LYS A 15 17.481 -4.980 -14.933 1.00 13.13 N ATOM 0 H LYS A 15 16.452 1.758 -16.016 1.00 53.12 H new ATOM 0 HA LYS A 15 19.051 0.796 -16.590 1.00 44.00 H new ATOM 0 HB2 LYS A 15 16.726 -0.121 -15.351 1.00 61.43 H new ATOM 0 HB3 LYS A 15 16.835 -1.136 -16.776 1.00 61.43 H new ATOM 0 HG2 LYS A 15 19.456 -0.993 -15.637 1.00 64.21 H new ATOM 0 HG3 LYS A 15 18.334 -1.298 -14.326 1.00 64.21 H new ATOM 0 HD2 LYS A 15 18.218 -2.881 -16.913 1.00 53.21 H new ATOM 0 HD3 LYS A 15 19.291 -3.340 -15.605 1.00 53.21 H new ATOM 0 HE2 LYS A 15 17.020 -3.058 -14.170 1.00 52.20 H new ATOM 0 HE3 LYS A 15 16.296 -3.414 -15.726 1.00 52.20 H new ATOM 0 HZ1 LYS A 15 16.672 -5.425 -14.455 1.00 13.13 H new ATOM 0 HZ2 LYS A 15 17.632 -5.437 -15.855 1.00 13.13 H new ATOM 0 HZ3 LYS A 15 18.333 -5.092 -14.348 1.00 13.13 H new ATOM 248 N THR A 16 16.793 0.512 -18.978 1.00 15.04 N ATOM 249 CA THR A 16 16.619 0.254 -20.402 1.00 12.45 C ATOM 250 C THR A 16 17.531 1.145 -21.237 1.00 2.32 C ATOM 251 O THR A 16 18.320 0.657 -22.046 1.00 70.11 O ATOM 252 CB THR A 16 15.159 0.480 -20.839 1.00 63.12 C ATOM 253 OG1 THR A 16 14.290 -0.399 -20.117 1.00 12.04 O ATOM 254 CG2 THR A 16 15.000 0.243 -22.334 1.00 12.55 C ATOM 0 H THR A 16 15.946 0.817 -18.498 1.00 15.04 H new ATOM 0 HA THR A 16 16.883 -0.790 -20.569 1.00 12.45 H new ATOM 0 HB THR A 16 14.893 1.514 -20.620 1.00 63.12 H new ATOM 0 HG1 THR A 16 14.202 -0.085 -19.193 1.00 12.04 H new ATOM 0 HG21 THR A 16 13.961 0.408 -22.620 1.00 12.55 H new ATOM 0 HG22 THR A 16 15.642 0.933 -22.882 1.00 12.55 H new ATOM 0 HG23 THR A 16 15.283 -0.782 -22.572 1.00 12.55 H new ATOM 262 N ARG A 17 17.419 2.454 -21.035 1.00 1.12 N ATOM 263 CA ARG A 17 18.234 3.413 -21.770 1.00 43.23 C ATOM 264 C ARG A 17 19.716 3.219 -21.460 1.00 34.14 C ATOM 265 O ARG A 17 20.573 3.433 -22.317 1.00 42.31 O ATOM 266 CB ARG A 17 17.813 4.843 -21.426 1.00 22.13 C ATOM 267 CG ARG A 17 16.625 5.339 -22.233 1.00 43.45 C ATOM 268 CD ARG A 17 15.331 5.236 -21.442 1.00 30.20 C ATOM 269 NE ARG A 17 14.222 5.904 -22.117 1.00 13.52 N ATOM 270 CZ ARG A 17 13.556 5.375 -23.137 1.00 42.45 C ATOM 271 NH1 ARG A 17 13.886 4.177 -23.598 1.00 71.32 N ATOM 272 NH2 ARG A 17 12.558 6.046 -23.699 1.00 62.41 N ATOM 0 H ARG A 17 16.772 2.874 -20.368 1.00 1.12 H new ATOM 0 HA ARG A 17 18.078 3.242 -22.835 1.00 43.23 H new ATOM 0 HB2 ARG A 17 17.568 4.895 -20.365 1.00 22.13 H new ATOM 0 HB3 ARG A 17 18.658 5.511 -21.591 1.00 22.13 H new ATOM 0 HG2 ARG A 17 16.791 6.375 -22.527 1.00 43.45 H new ATOM 0 HG3 ARG A 17 16.539 4.757 -23.151 1.00 43.45 H new ATOM 0 HD2 ARG A 17 15.082 4.186 -21.289 1.00 30.20 H new ATOM 0 HD3 ARG A 17 15.473 5.677 -20.455 1.00 30.20 H new ATOM 0 HE ARG A 17 13.943 6.828 -21.787 1.00 13.52 H new ATOM 0 HH11 ARG A 17 14.653 3.659 -23.169 1.00 71.32 H new ATOM 0 HH12 ARG A 17 13.373 3.773 -24.381 1.00 71.32 H new ATOM 0 HH21 ARG A 17 12.302 6.969 -23.348 1.00 62.41 H new ATOM 0 HH22 ARG A 17 12.047 5.639 -24.482 1.00 62.41 H new ATOM 286 N CYS A 18 20.008 2.813 -20.229 1.00 61.12 N ATOM 287 CA CYS A 18 21.386 2.591 -19.805 1.00 32.05 C ATOM 288 C CYS A 18 21.968 1.351 -20.474 1.00 62.35 C ATOM 289 O CYS A 18 23.148 1.319 -20.824 1.00 13.01 O ATOM 290 CB CYS A 18 21.455 2.444 -18.284 1.00 4.32 C ATOM 291 SG CYS A 18 23.047 1.841 -17.672 1.00 54.54 S ATOM 0 H CYS A 18 19.310 2.631 -19.508 1.00 61.12 H new ATOM 0 HA CYS A 18 21.977 3.456 -20.107 1.00 32.05 H new ATOM 0 HB2 CYS A 18 21.244 3.411 -17.826 1.00 4.32 H new ATOM 0 HB3 CYS A 18 20.671 1.760 -17.960 1.00 4.32 H new ATOM 0 HG CYS A 18 23.538 2.696 -16.824 1.00 54.54 H new ATOM 297 N GLN A 19 21.133 0.331 -20.648 1.00 42.33 N ATOM 298 CA GLN A 19 21.567 -0.912 -21.274 1.00 73.32 C ATOM 299 C GLN A 19 21.785 -0.721 -22.771 1.00 61.04 C ATOM 300 O GLN A 19 22.715 -1.283 -23.350 1.00 12.24 O ATOM 301 CB GLN A 19 20.535 -2.015 -21.034 1.00 75.51 C ATOM 302 CG GLN A 19 20.393 -2.409 -19.573 1.00 1.35 C ATOM 303 CD GLN A 19 21.082 -3.720 -19.252 1.00 22.33 C ATOM 304 OE1 GLN A 19 20.492 -4.612 -18.641 1.00 72.15 O ATOM 305 NE2 GLN A 19 22.339 -3.845 -19.662 1.00 72.04 N ATOM 0 H GLN A 19 20.153 0.341 -20.364 1.00 42.33 H new ATOM 0 HA GLN A 19 22.515 -1.205 -20.822 1.00 73.32 H new ATOM 0 HB2 GLN A 19 19.567 -1.682 -21.408 1.00 75.51 H new ATOM 0 HB3 GLN A 19 20.815 -2.895 -21.613 1.00 75.51 H new ATOM 0 HG2 GLN A 19 20.810 -1.621 -18.946 1.00 1.35 H new ATOM 0 HG3 GLN A 19 19.335 -2.489 -19.323 1.00 1.35 H new ATOM 0 HE21 GLN A 19 22.790 -3.081 -20.165 1.00 72.04 H new ATOM 0 HE22 GLN A 19 22.854 -4.705 -19.474 1.00 72.04 H new ATOM 314 N ALA A 20 20.922 0.075 -23.393 1.00 53.23 N ATOM 315 CA ALA A 20 21.021 0.342 -24.823 1.00 24.31 C ATOM 316 C ALA A 20 22.080 1.400 -25.111 1.00 44.34 C ATOM 317 O ALA A 20 22.716 1.386 -26.167 1.00 12.15 O ATOM 318 CB ALA A 20 19.672 0.779 -25.374 1.00 30.53 C ATOM 0 H ALA A 20 20.146 0.547 -22.929 1.00 53.23 H new ATOM 0 HA ALA A 20 21.321 -0.581 -25.320 1.00 24.31 H new ATOM 0 HB1 ALA A 20 19.762 0.975 -26.443 1.00 30.53 H new ATOM 0 HB2 ALA A 20 18.939 -0.011 -25.210 1.00 30.53 H new ATOM 0 HB3 ALA A 20 19.348 1.687 -24.865 1.00 30.53 H new ATOM 324 N LEU A 21 22.265 2.318 -24.169 1.00 23.44 N ATOM 325 CA LEU A 21 23.248 3.385 -24.322 1.00 12.11 C ATOM 326 C LEU A 21 23.060 4.111 -25.650 1.00 41.31 C ATOM 327 O LEU A 21 24.004 4.680 -26.197 1.00 70.54 O ATOM 328 CB LEU A 21 24.665 2.817 -24.234 1.00 63.12 C ATOM 329 CG LEU A 21 25.130 2.383 -22.843 1.00 53.23 C ATOM 330 CD1 LEU A 21 25.238 0.868 -22.765 1.00 13.31 C ATOM 331 CD2 LEU A 21 26.462 3.033 -22.499 1.00 51.32 C ATOM 0 H LEU A 21 21.747 2.345 -23.291 1.00 23.44 H new ATOM 0 HA LEU A 21 23.100 4.101 -23.513 1.00 12.11 H new ATOM 0 HB2 LEU A 21 24.733 1.958 -24.902 1.00 63.12 H new ATOM 0 HB3 LEU A 21 25.360 3.568 -24.609 1.00 63.12 H new ATOM 0 HG LEU A 21 24.389 2.712 -22.114 1.00 53.23 H new ATOM 0 HD11 LEU A 21 25.570 0.578 -21.768 1.00 13.31 H new ATOM 0 HD12 LEU A 21 24.264 0.423 -22.967 1.00 13.31 H new ATOM 0 HD13 LEU A 21 25.958 0.516 -23.504 1.00 13.31 H new ATOM 0 HD21 LEU A 21 26.777 2.713 -21.506 1.00 51.32 H new ATOM 0 HD22 LEU A 21 27.212 2.735 -23.232 1.00 51.32 H new ATOM 0 HD23 LEU A 21 26.352 4.117 -22.513 1.00 51.32 H new ATOM 343 N GLY A 22 21.833 4.090 -26.162 1.00 62.24 N ATOM 344 CA GLY A 22 21.543 4.751 -27.421 1.00 43.32 C ATOM 345 C GLY A 22 20.452 5.795 -27.290 1.00 4.43 C ATOM 346 O GLY A 22 20.311 6.667 -28.146 1.00 43.21 O ATOM 0 H GLY A 22 21.035 3.627 -25.727 1.00 62.24 H new ATOM 0 HA2 GLY A 22 22.450 5.223 -27.797 1.00 43.32 H new ATOM 0 HA3 GLY A 22 21.242 4.006 -28.158 1.00 43.32 H new ATOM 393 N GLU A 27 21.855 11.466 -21.895 1.00 13.12 N ATOM 394 CA GLU A 27 21.011 10.803 -20.908 1.00 32.40 C ATOM 395 C GLU A 27 21.858 10.045 -19.889 1.00 75.24 C ATOM 396 O GLU A 27 21.491 9.938 -18.719 1.00 32.54 O ATOM 397 CB GLU A 27 20.041 9.841 -21.598 1.00 31.23 C ATOM 398 CG GLU A 27 18.620 10.371 -21.690 1.00 41.40 C ATOM 399 CD GLU A 27 17.605 9.277 -21.954 1.00 34.44 C ATOM 400 OE1 GLU A 27 17.628 8.699 -23.060 1.00 61.41 O ATOM 401 OE2 GLU A 27 16.786 8.998 -21.052 1.00 41.02 O ATOM 0 HA GLU A 27 20.440 11.569 -20.382 1.00 32.40 H new ATOM 0 HB2 GLU A 27 20.406 9.629 -22.603 1.00 31.23 H new ATOM 0 HB3 GLU A 27 20.033 8.896 -21.056 1.00 31.23 H new ATOM 0 HG2 GLU A 27 18.366 10.881 -20.761 1.00 41.40 H new ATOM 0 HG3 GLU A 27 18.564 11.113 -22.486 1.00 41.40 H new ATOM 408 N CYS A 28 22.991 9.521 -20.344 1.00 15.13 N ATOM 409 CA CYS A 28 23.890 8.772 -19.473 1.00 74.32 C ATOM 410 C CYS A 28 24.192 9.555 -18.200 1.00 44.53 C ATOM 411 O CYS A 28 24.163 9.006 -17.100 1.00 11.15 O ATOM 412 CB CYS A 28 25.191 8.446 -20.208 1.00 12.40 C ATOM 413 SG CYS A 28 24.955 7.585 -21.780 1.00 63.30 S ATOM 0 H CYS A 28 23.309 9.601 -21.310 1.00 15.13 H new ATOM 0 HA CYS A 28 23.395 7.841 -19.195 1.00 74.32 H new ATOM 0 HB2 CYS A 28 25.734 9.373 -20.392 1.00 12.40 H new ATOM 0 HB3 CYS A 28 25.818 7.833 -19.561 1.00 12.40 H new ATOM 0 HG CYS A 28 26.112 7.355 -22.327 1.00 63.30 H new ATOM 419 N ALA A 29 24.485 10.842 -18.359 1.00 51.13 N ATOM 420 CA ALA A 29 24.793 11.701 -17.223 1.00 50.50 C ATOM 421 C ALA A 29 23.633 11.740 -16.234 1.00 2.33 C ATOM 422 O ALA A 29 23.820 11.534 -15.035 1.00 64.51 O ATOM 423 CB ALA A 29 25.130 13.107 -17.700 1.00 34.40 C ATOM 0 H ALA A 29 24.515 11.312 -19.264 1.00 51.13 H new ATOM 0 HA ALA A 29 25.660 11.286 -16.710 1.00 50.50 H new ATOM 0 HB1 ALA A 29 25.358 13.738 -16.841 1.00 34.40 H new ATOM 0 HB2 ALA A 29 25.995 13.069 -18.362 1.00 34.40 H new ATOM 0 HB3 ALA A 29 24.279 13.522 -18.239 1.00 34.40 H new ATOM 429 N ALA A 30 22.435 12.007 -16.743 1.00 43.25 N ATOM 430 CA ALA A 30 21.245 12.072 -15.904 1.00 61.35 C ATOM 431 C ALA A 30 21.070 10.788 -15.100 1.00 43.11 C ATOM 432 O ALA A 30 20.667 10.822 -13.937 1.00 51.33 O ATOM 433 CB ALA A 30 20.012 12.335 -16.757 1.00 24.14 C ATOM 0 H ALA A 30 22.263 12.182 -17.733 1.00 43.25 H new ATOM 0 HA ALA A 30 21.370 12.896 -15.201 1.00 61.35 H new ATOM 0 HB1 ALA A 30 19.130 12.381 -16.118 1.00 24.14 H new ATOM 0 HB2 ALA A 30 20.129 13.283 -17.283 1.00 24.14 H new ATOM 0 HB3 ALA A 30 19.893 11.530 -17.482 1.00 24.14 H new ATOM 439 N PHE A 31 21.376 9.657 -15.726 1.00 74.54 N ATOM 440 CA PHE A 31 21.250 8.361 -15.069 1.00 24.11 C ATOM 441 C PHE A 31 22.226 8.247 -13.901 1.00 52.20 C ATOM 442 O PHE A 31 21.844 7.864 -12.796 1.00 11.43 O ATOM 443 CB PHE A 31 21.501 7.231 -16.070 1.00 24.04 C ATOM 444 CG PHE A 31 20.476 7.161 -17.165 1.00 11.32 C ATOM 445 CD1 PHE A 31 19.139 7.404 -16.896 1.00 54.43 C ATOM 446 CD2 PHE A 31 20.849 6.852 -18.463 1.00 3.21 C ATOM 447 CE1 PHE A 31 18.192 7.342 -17.902 1.00 23.51 C ATOM 448 CE2 PHE A 31 19.908 6.788 -19.473 1.00 13.35 C ATOM 449 CZ PHE A 31 18.577 7.032 -19.192 1.00 25.05 C ATOM 0 H PHE A 31 21.713 9.611 -16.688 1.00 74.54 H new ATOM 0 HA PHE A 31 20.235 8.275 -14.682 1.00 24.11 H new ATOM 0 HB2 PHE A 31 22.487 7.363 -16.515 1.00 24.04 H new ATOM 0 HB3 PHE A 31 21.516 6.281 -15.536 1.00 24.04 H new ATOM 0 HD1 PHE A 31 18.833 7.645 -15.889 1.00 54.43 H new ATOM 0 HD2 PHE A 31 21.887 6.659 -18.688 1.00 3.21 H new ATOM 0 HE1 PHE A 31 17.153 7.536 -17.679 1.00 23.51 H new ATOM 0 HE2 PHE A 31 20.212 6.548 -20.481 1.00 13.35 H new ATOM 0 HZ PHE A 31 17.839 6.980 -19.979 1.00 25.05 H new ATOM 459 N GLU A 32 23.487 8.582 -14.156 1.00 53.30 N ATOM 460 CA GLU A 32 24.517 8.516 -13.126 1.00 41.34 C ATOM 461 C GLU A 32 24.112 9.326 -11.898 1.00 54.22 C ATOM 462 O GLU A 32 24.146 8.828 -10.773 1.00 11.44 O ATOM 463 CB GLU A 32 25.850 9.032 -13.673 1.00 71.35 C ATOM 464 CG GLU A 32 27.058 8.548 -12.889 1.00 72.30 C ATOM 465 CD GLU A 32 28.132 9.610 -12.757 1.00 15.32 C ATOM 466 OE1 GLU A 32 28.256 10.447 -13.676 1.00 32.44 O ATOM 467 OE2 GLU A 32 28.847 9.605 -11.733 1.00 44.23 O ATOM 0 H GLU A 32 23.819 8.901 -15.066 1.00 53.30 H new ATOM 0 HA GLU A 32 24.632 7.473 -12.830 1.00 41.34 H new ATOM 0 HB2 GLU A 32 25.952 8.719 -14.712 1.00 71.35 H new ATOM 0 HB3 GLU A 32 25.837 10.122 -13.669 1.00 71.35 H new ATOM 0 HG2 GLU A 32 26.739 8.234 -11.895 1.00 72.30 H new ATOM 0 HG3 GLU A 32 27.478 7.671 -13.381 1.00 72.30 H new ATOM 474 N LYS A 33 23.728 10.578 -12.123 1.00 0.32 N ATOM 475 CA LYS A 33 23.315 11.459 -11.037 1.00 11.03 C ATOM 476 C LYS A 33 22.022 10.963 -10.396 1.00 44.40 C ATOM 477 O LYS A 33 21.958 10.762 -9.184 1.00 1.02 O ATOM 478 CB LYS A 33 23.125 12.887 -11.554 1.00 63.43 C ATOM 479 CG LYS A 33 24.231 13.839 -11.132 1.00 61.54 C ATOM 480 CD LYS A 33 25.525 13.554 -11.876 1.00 4.31 C ATOM 481 CE LYS A 33 26.727 13.613 -10.946 1.00 2.45 C ATOM 482 NZ LYS A 33 26.952 12.318 -10.247 1.00 21.30 N ATOM 0 H LYS A 33 23.694 11.006 -13.048 1.00 0.32 H new ATOM 0 HA LYS A 33 24.100 11.455 -10.281 1.00 11.03 H new ATOM 0 HB2 LYS A 33 23.071 12.866 -12.642 1.00 63.43 H new ATOM 0 HB3 LYS A 33 22.170 13.271 -11.195 1.00 63.43 H new ATOM 0 HG2 LYS A 33 23.920 14.866 -11.321 1.00 61.54 H new ATOM 0 HG3 LYS A 33 24.400 13.750 -10.059 1.00 61.54 H new ATOM 0 HD2 LYS A 33 25.470 12.569 -12.339 1.00 4.31 H new ATOM 0 HD3 LYS A 33 25.650 14.278 -12.681 1.00 4.31 H new ATOM 0 HE2 LYS A 33 27.616 13.876 -11.519 1.00 2.45 H new ATOM 0 HE3 LYS A 33 26.578 14.402 -10.209 1.00 2.45 H new ATOM 0 HZ1 LYS A 33 27.780 12.400 -9.623 1.00 21.30 H new ATOM 0 HZ2 LYS A 33 26.113 12.079 -9.680 1.00 21.30 H new ATOM 0 HZ3 LYS A 33 27.120 11.569 -10.949 1.00 21.30 H new ATOM 496 N GLU A 34 20.997 10.768 -11.219 1.00 35.35 N ATOM 497 CA GLU A 34 19.706 10.295 -10.730 1.00 64.24 C ATOM 498 C GLU A 34 19.877 9.056 -9.855 1.00 14.50 C ATOM 499 O GLU A 34 19.336 8.985 -8.751 1.00 2.11 O ATOM 500 CB GLU A 34 18.777 9.979 -11.904 1.00 14.31 C ATOM 501 CG GLU A 34 18.157 11.213 -12.539 1.00 4.24 C ATOM 502 CD GLU A 34 17.474 10.910 -13.858 1.00 33.03 C ATOM 503 OE1 GLU A 34 17.642 9.782 -14.367 1.00 33.24 O ATOM 504 OE2 GLU A 34 16.772 11.800 -14.381 1.00 75.00 O ATOM 0 H GLU A 34 21.034 10.930 -12.225 1.00 35.35 H new ATOM 0 HA GLU A 34 19.262 11.087 -10.127 1.00 64.24 H new ATOM 0 HB2 GLU A 34 19.337 9.433 -12.663 1.00 14.31 H new ATOM 0 HB3 GLU A 34 17.981 9.319 -11.559 1.00 14.31 H new ATOM 0 HG2 GLU A 34 17.432 11.646 -11.850 1.00 4.24 H new ATOM 0 HG3 GLU A 34 18.932 11.963 -12.699 1.00 4.24 H new ATOM 511 N ILE A 35 20.630 8.084 -10.356 1.00 64.13 N ATOM 512 CA ILE A 35 20.872 6.849 -9.621 1.00 3.15 C ATOM 513 C ILE A 35 21.593 7.125 -8.305 1.00 53.12 C ATOM 514 O ILE A 35 21.245 6.566 -7.266 1.00 33.41 O ATOM 515 CB ILE A 35 21.705 5.854 -10.450 1.00 31.53 C ATOM 516 CG1 ILE A 35 20.889 5.337 -11.636 1.00 74.32 C ATOM 517 CG2 ILE A 35 22.172 4.698 -9.577 1.00 74.23 C ATOM 518 CD1 ILE A 35 19.745 4.432 -11.234 1.00 60.35 C ATOM 0 H ILE A 35 21.084 8.127 -11.269 1.00 64.13 H new ATOM 0 HA ILE A 35 19.896 6.409 -9.414 1.00 3.15 H new ATOM 0 HB ILE A 35 22.584 6.371 -10.835 1.00 31.53 H new ATOM 0 HG12 ILE A 35 20.492 6.187 -12.191 1.00 74.32 H new ATOM 0 HG13 ILE A 35 21.550 4.795 -12.313 1.00 74.32 H new ATOM 0 HG21 ILE A 35 22.759 4.003 -10.177 1.00 74.23 H new ATOM 0 HG22 ILE A 35 22.786 5.082 -8.762 1.00 74.23 H new ATOM 0 HG23 ILE A 35 21.306 4.180 -9.166 1.00 74.23 H new ATOM 0 HD11 ILE A 35 19.211 4.103 -12.125 1.00 60.35 H new ATOM 0 HD12 ILE A 35 20.137 3.563 -10.705 1.00 60.35 H new ATOM 0 HD13 ILE A 35 19.062 4.976 -10.582 1.00 60.35 H new ATOM 530 N ALA A 36 22.598 7.993 -8.358 1.00 52.01 N ATOM 531 CA ALA A 36 23.365 8.347 -7.170 1.00 60.24 C ATOM 532 C ALA A 36 22.449 8.811 -6.043 1.00 71.30 C ATOM 533 O ALA A 36 22.541 8.326 -4.916 1.00 25.51 O ATOM 534 CB ALA A 36 24.384 9.426 -7.503 1.00 4.33 C ATOM 0 H ALA A 36 22.900 8.464 -9.211 1.00 52.01 H new ATOM 0 HA ALA A 36 23.893 7.456 -6.829 1.00 60.24 H new ATOM 0 HB1 ALA A 36 24.950 9.681 -6.607 1.00 4.33 H new ATOM 0 HB2 ALA A 36 25.065 9.059 -8.270 1.00 4.33 H new ATOM 0 HB3 ALA A 36 23.868 10.313 -7.871 1.00 4.33 H new ATOM 540 N ALA A 37 21.565 9.753 -6.355 1.00 2.12 N ATOM 541 CA ALA A 37 20.631 10.281 -5.368 1.00 5.30 C ATOM 542 C ALA A 37 19.624 9.219 -4.942 1.00 21.13 C ATOM 543 O ALA A 37 19.203 9.176 -3.785 1.00 43.54 O ATOM 544 CB ALA A 37 19.912 11.502 -5.923 1.00 33.43 C ATOM 0 H ALA A 37 21.476 10.166 -7.283 1.00 2.12 H new ATOM 0 HA ALA A 37 21.200 10.578 -4.487 1.00 5.30 H new ATOM 0 HB1 ALA A 37 19.218 11.886 -5.176 1.00 33.43 H new ATOM 0 HB2 ALA A 37 20.642 12.273 -6.170 1.00 33.43 H new ATOM 0 HB3 ALA A 37 19.361 11.223 -6.821 1.00 33.43 H new ATOM 550 N PHE A 38 19.240 8.363 -5.883 1.00 22.43 N ATOM 551 CA PHE A 38 18.280 7.301 -5.604 1.00 63.35 C ATOM 552 C PHE A 38 18.793 6.379 -4.501 1.00 51.44 C ATOM 553 O PHE A 38 18.114 6.157 -3.500 1.00 30.04 O ATOM 554 CB PHE A 38 18.002 6.491 -6.872 1.00 73.05 C ATOM 555 CG PHE A 38 16.544 6.409 -7.223 1.00 74.11 C ATOM 556 CD1 PHE A 38 15.750 7.545 -7.215 1.00 5.14 C ATOM 557 CD2 PHE A 38 15.966 5.196 -7.562 1.00 20.13 C ATOM 558 CE1 PHE A 38 14.408 7.472 -7.536 1.00 43.11 C ATOM 559 CE2 PHE A 38 14.624 5.117 -7.885 1.00 24.24 C ATOM 560 CZ PHE A 38 13.845 6.257 -7.873 1.00 32.33 C ATOM 0 H PHE A 38 19.579 8.384 -6.845 1.00 22.43 H new ATOM 0 HA PHE A 38 17.353 7.763 -5.265 1.00 63.35 H new ATOM 0 HB2 PHE A 38 18.544 6.938 -7.705 1.00 73.05 H new ATOM 0 HB3 PHE A 38 18.394 5.482 -6.742 1.00 73.05 H new ATOM 0 HD1 PHE A 38 16.185 8.499 -6.955 1.00 5.14 H new ATOM 0 HD2 PHE A 38 16.571 4.302 -7.574 1.00 20.13 H new ATOM 0 HE1 PHE A 38 13.800 8.364 -7.523 1.00 43.11 H new ATOM 0 HE2 PHE A 38 14.186 4.165 -8.146 1.00 24.24 H new ATOM 0 HZ PHE A 38 12.797 6.198 -8.127 1.00 32.33 H new ATOM 570 N GLU A 39 19.995 5.846 -4.695 1.00 3.51 N ATOM 571 CA GLU A 39 20.598 4.948 -3.717 1.00 42.23 C ATOM 572 C GLU A 39 20.857 5.673 -2.400 1.00 22.15 C ATOM 573 O GLU A 39 20.651 5.116 -1.321 1.00 71.24 O ATOM 574 CB GLU A 39 21.907 4.372 -4.261 1.00 23.43 C ATOM 575 CG GLU A 39 22.922 5.432 -4.654 1.00 62.44 C ATOM 576 CD GLU A 39 24.189 4.838 -5.239 1.00 72.35 C ATOM 577 OE1 GLU A 39 24.130 3.700 -5.750 1.00 64.14 O ATOM 578 OE2 GLU A 39 25.239 5.512 -5.186 1.00 71.12 O ATOM 0 H GLU A 39 20.570 6.020 -5.519 1.00 3.51 H new ATOM 0 HA GLU A 39 19.900 4.132 -3.531 1.00 42.23 H new ATOM 0 HB2 GLU A 39 22.348 3.720 -3.507 1.00 23.43 H new ATOM 0 HB3 GLU A 39 21.688 3.751 -5.130 1.00 23.43 H new ATOM 0 HG2 GLU A 39 22.473 6.108 -5.381 1.00 62.44 H new ATOM 0 HG3 GLU A 39 23.176 6.029 -3.778 1.00 62.44 H new ATOM 585 N SER A 40 21.311 6.918 -2.495 1.00 42.53 N ATOM 586 CA SER A 40 21.603 7.719 -1.312 1.00 20.22 C ATOM 587 C SER A 40 20.333 7.987 -0.511 1.00 33.14 C ATOM 588 O SER A 40 20.373 8.111 0.713 1.00 60.40 O ATOM 589 CB SER A 40 22.255 9.043 -1.714 1.00 1.12 C ATOM 590 OG SER A 40 22.161 9.996 -0.669 1.00 22.32 O ATOM 0 H SER A 40 21.485 7.395 -3.380 1.00 42.53 H new ATOM 0 HA SER A 40 22.296 7.157 -0.685 1.00 20.22 H new ATOM 0 HB2 SER A 40 23.303 8.875 -1.964 1.00 1.12 H new ATOM 0 HB3 SER A 40 21.772 9.433 -2.610 1.00 1.12 H new ATOM 0 HG SER A 40 22.586 10.833 -0.950 1.00 22.32 H new ATOM 596 N GLU A 41 19.206 8.075 -1.211 1.00 43.51 N ATOM 597 CA GLU A 41 17.924 8.330 -0.565 1.00 71.23 C ATOM 598 C GLU A 41 17.348 7.046 0.026 1.00 42.13 C ATOM 599 O GLU A 41 16.712 7.065 1.080 1.00 2.34 O ATOM 600 CB GLU A 41 16.935 8.932 -1.565 1.00 52.33 C ATOM 601 CG GLU A 41 16.878 10.450 -1.526 1.00 43.23 C ATOM 602 CD GLU A 41 15.700 11.010 -2.299 1.00 51.21 C ATOM 603 OE1 GLU A 41 14.558 10.893 -1.806 1.00 4.41 O ATOM 604 OE2 GLU A 41 15.919 11.565 -3.396 1.00 73.43 O ATOM 0 H GLU A 41 19.155 7.974 -2.225 1.00 43.51 H new ATOM 0 HA GLU A 41 18.089 9.041 0.245 1.00 71.23 H new ATOM 0 HB2 GLU A 41 17.209 8.613 -2.571 1.00 52.33 H new ATOM 0 HB3 GLU A 41 15.940 8.534 -1.364 1.00 52.33 H new ATOM 0 HG2 GLU A 41 16.818 10.781 -0.489 1.00 43.23 H new ATOM 0 HG3 GLU A 41 17.803 10.855 -1.937 1.00 43.23 H new ATOM 611 N LEU A 42 17.575 5.932 -0.661 1.00 40.04 N ATOM 612 CA LEU A 42 17.079 4.638 -0.206 1.00 21.10 C ATOM 613 C LEU A 42 17.815 4.184 1.051 1.00 53.41 C ATOM 614 O LEU A 42 17.235 3.534 1.920 1.00 73.34 O ATOM 615 CB LEU A 42 17.239 3.591 -1.310 1.00 11.11 C ATOM 616 CG LEU A 42 16.326 3.754 -2.526 1.00 65.41 C ATOM 617 CD1 LEU A 42 16.982 3.169 -3.767 1.00 63.23 C ATOM 618 CD2 LEU A 42 14.978 3.096 -2.273 1.00 31.52 C ATOM 0 H LEU A 42 18.099 5.899 -1.535 1.00 40.04 H new ATOM 0 HA LEU A 42 16.021 4.746 0.033 1.00 21.10 H new ATOM 0 HB2 LEU A 42 18.274 3.608 -1.652 1.00 11.11 H new ATOM 0 HB3 LEU A 42 17.063 2.606 -0.878 1.00 11.11 H new ATOM 0 HG LEU A 42 16.162 4.819 -2.694 1.00 65.41 H new ATOM 0 HD11 LEU A 42 16.318 3.294 -4.623 1.00 63.23 H new ATOM 0 HD12 LEU A 42 17.923 3.685 -3.959 1.00 63.23 H new ATOM 0 HD13 LEU A 42 17.176 2.108 -3.610 1.00 63.23 H new ATOM 0 HD21 LEU A 42 14.342 3.222 -3.149 1.00 31.52 H new ATOM 0 HD22 LEU A 42 15.123 2.033 -2.079 1.00 31.52 H new ATOM 0 HD23 LEU A 42 14.503 3.561 -1.409 1.00 31.52 H new ATOM 630 N GLN A 43 19.094 4.535 1.141 1.00 73.34 N ATOM 631 CA GLN A 43 19.908 4.165 2.292 1.00 34.54 C ATOM 632 C GLN A 43 19.380 4.819 3.565 1.00 72.02 C ATOM 633 O GLN A 43 19.650 4.354 4.672 1.00 71.24 O ATOM 634 CB GLN A 43 21.365 4.568 2.064 1.00 24.12 C ATOM 635 CG GLN A 43 21.633 6.045 2.306 1.00 30.31 C ATOM 636 CD GLN A 43 22.386 6.297 3.597 1.00 3.41 C ATOM 637 OE1 GLN A 43 23.212 5.486 4.017 1.00 74.21 O ATOM 638 NE2 GLN A 43 22.106 7.428 4.235 1.00 73.21 N ATOM 0 H GLN A 43 19.588 5.075 0.431 1.00 73.34 H new ATOM 0 HA GLN A 43 19.853 3.083 2.411 1.00 34.54 H new ATOM 0 HB2 GLN A 43 22.003 3.979 2.722 1.00 24.12 H new ATOM 0 HB3 GLN A 43 21.646 4.319 1.041 1.00 24.12 H new ATOM 0 HG2 GLN A 43 22.206 6.448 1.471 1.00 30.31 H new ATOM 0 HG3 GLN A 43 20.685 6.583 2.332 1.00 30.31 H new ATOM 0 HE21 GLN A 43 21.414 8.072 3.851 1.00 73.21 H new ATOM 0 HE22 GLN A 43 22.583 7.652 5.108 1.00 73.21 H new ATOM 647 N ALA A 44 18.626 5.901 3.399 1.00 2.00 N ATOM 648 CA ALA A 44 18.059 6.618 4.534 1.00 3.32 C ATOM 649 C ALA A 44 16.709 6.033 4.935 1.00 64.11 C ATOM 650 O ALA A 44 16.231 6.255 6.048 1.00 63.34 O ATOM 651 CB ALA A 44 17.919 8.098 4.207 1.00 30.41 C ATOM 0 H ALA A 44 18.394 6.300 2.489 1.00 2.00 H new ATOM 0 HA ALA A 44 18.739 6.506 5.379 1.00 3.32 H new ATOM 0 HB1 ALA A 44 17.494 8.621 5.064 1.00 30.41 H new ATOM 0 HB2 ALA A 44 18.900 8.514 3.977 1.00 30.41 H new ATOM 0 HB3 ALA A 44 17.262 8.220 3.345 1.00 30.41 H new ATOM 764 N GLU A 52 11.504 -3.457 1.855 1.00 71.15 N ATOM 765 CA GLU A 52 11.140 -2.785 0.613 1.00 72.23 C ATOM 766 C GLU A 52 12.367 -2.166 -0.051 1.00 14.23 C ATOM 767 O GLU A 52 12.568 -2.300 -1.258 1.00 14.41 O ATOM 768 CB GLU A 52 10.091 -1.704 0.880 1.00 33.04 C ATOM 769 CG GLU A 52 10.516 -0.689 1.928 1.00 22.22 C ATOM 770 CD GLU A 52 9.357 -0.207 2.778 1.00 33.11 C ATOM 771 OE1 GLU A 52 8.634 0.709 2.333 1.00 62.34 O ATOM 772 OE2 GLU A 52 9.172 -0.746 3.889 1.00 31.53 O ATOM 0 HA GLU A 52 10.720 -3.530 -0.063 1.00 72.23 H new ATOM 0 HB2 GLU A 52 9.874 -1.182 -0.052 1.00 33.04 H new ATOM 0 HB3 GLU A 52 9.165 -2.180 1.202 1.00 33.04 H new ATOM 0 HG2 GLU A 52 11.274 -1.134 2.573 1.00 22.22 H new ATOM 0 HG3 GLU A 52 10.979 0.165 1.434 1.00 22.22 H new ATOM 779 N VAL A 53 13.184 -1.486 0.748 1.00 61.54 N ATOM 780 CA VAL A 53 14.392 -0.846 0.239 1.00 35.44 C ATOM 781 C VAL A 53 15.345 -1.872 -0.364 1.00 53.32 C ATOM 782 O VAL A 53 16.220 -1.528 -1.158 1.00 10.44 O ATOM 783 CB VAL A 53 15.125 -0.071 1.349 1.00 3.35 C ATOM 784 CG1 VAL A 53 16.253 0.764 0.762 1.00 50.00 C ATOM 785 CG2 VAL A 53 14.150 0.804 2.122 1.00 55.54 C ATOM 0 H VAL A 53 13.032 -1.364 1.749 1.00 61.54 H new ATOM 0 HA VAL A 53 14.078 -0.147 -0.536 1.00 35.44 H new ATOM 0 HB VAL A 53 15.560 -0.790 2.043 1.00 3.35 H new ATOM 0 HG11 VAL A 53 16.760 1.305 1.562 1.00 50.00 H new ATOM 0 HG12 VAL A 53 16.965 0.111 0.258 1.00 50.00 H new ATOM 0 HG13 VAL A 53 15.844 1.476 0.045 1.00 50.00 H new ATOM 0 HG21 VAL A 53 14.686 1.344 2.902 1.00 55.54 H new ATOM 0 HG22 VAL A 53 13.683 1.517 1.442 1.00 55.54 H new ATOM 0 HG23 VAL A 53 13.381 0.179 2.576 1.00 55.54 H new ATOM 795 N GLU A 54 15.168 -3.133 0.017 1.00 14.23 N ATOM 796 CA GLU A 54 16.013 -4.209 -0.487 1.00 1.42 C ATOM 797 C GLU A 54 15.985 -4.253 -2.012 1.00 25.11 C ATOM 798 O GLU A 54 17.027 -4.189 -2.664 1.00 70.12 O ATOM 799 CB GLU A 54 15.558 -5.554 0.082 1.00 71.11 C ATOM 800 CG GLU A 54 15.572 -5.609 1.600 1.00 23.43 C ATOM 801 CD GLU A 54 16.972 -5.748 2.166 1.00 65.02 C ATOM 802 OE1 GLU A 54 17.667 -6.719 1.797 1.00 11.45 O ATOM 803 OE2 GLU A 54 17.374 -4.887 2.976 1.00 14.11 O ATOM 0 H GLU A 54 14.447 -3.434 0.673 1.00 14.23 H new ATOM 0 HA GLU A 54 17.036 -4.015 -0.165 1.00 1.42 H new ATOM 0 HB2 GLU A 54 14.549 -5.766 -0.271 1.00 71.11 H new ATOM 0 HB3 GLU A 54 16.204 -6.341 -0.308 1.00 71.11 H new ATOM 0 HG2 GLU A 54 15.112 -4.704 1.997 1.00 23.43 H new ATOM 0 HG3 GLU A 54 14.964 -6.449 1.935 1.00 23.43 H new ATOM 810 N ALA A 55 14.786 -4.364 -2.573 1.00 51.21 N ATOM 811 CA ALA A 55 14.621 -4.416 -4.020 1.00 44.55 C ATOM 812 C ALA A 55 15.135 -3.139 -4.677 1.00 43.13 C ATOM 813 O ALA A 55 15.973 -3.186 -5.579 1.00 72.23 O ATOM 814 CB ALA A 55 13.160 -4.644 -4.378 1.00 2.12 C ATOM 0 H ALA A 55 13.914 -4.420 -2.047 1.00 51.21 H new ATOM 0 HA ALA A 55 15.210 -5.251 -4.398 1.00 44.55 H new ATOM 0 HB1 ALA A 55 13.052 -4.680 -5.462 1.00 2.12 H new ATOM 0 HB2 ALA A 55 12.823 -5.587 -3.948 1.00 2.12 H new ATOM 0 HB3 ALA A 55 12.556 -3.828 -3.981 1.00 2.12 H new ATOM 820 N LEU A 56 14.629 -1.999 -4.221 1.00 14.03 N ATOM 821 CA LEU A 56 15.036 -0.708 -4.765 1.00 21.23 C ATOM 822 C LEU A 56 16.555 -0.573 -4.767 1.00 25.42 C ATOM 823 O LEU A 56 17.153 -0.190 -5.773 1.00 21.14 O ATOM 824 CB LEU A 56 14.413 0.429 -3.954 1.00 11.15 C ATOM 825 CG LEU A 56 12.896 0.372 -3.773 1.00 34.40 C ATOM 826 CD1 LEU A 56 12.479 1.114 -2.513 1.00 5.23 C ATOM 827 CD2 LEU A 56 12.191 0.949 -4.992 1.00 2.52 C ATOM 0 H LEU A 56 13.936 -1.942 -3.475 1.00 14.03 H new ATOM 0 HA LEU A 56 14.683 -0.648 -5.794 1.00 21.23 H new ATOM 0 HB2 LEU A 56 14.876 0.441 -2.967 1.00 11.15 H new ATOM 0 HB3 LEU A 56 14.666 1.373 -4.436 1.00 11.15 H new ATOM 0 HG LEU A 56 12.602 -0.672 -3.668 1.00 34.40 H new ATOM 0 HD11 LEU A 56 11.396 1.062 -2.402 1.00 5.23 H new ATOM 0 HD12 LEU A 56 12.955 0.656 -1.646 1.00 5.23 H new ATOM 0 HD13 LEU A 56 12.787 2.157 -2.586 1.00 5.23 H new ATOM 0 HD21 LEU A 56 11.112 0.900 -4.845 1.00 2.52 H new ATOM 0 HD22 LEU A 56 12.492 1.988 -5.129 1.00 2.52 H new ATOM 0 HD23 LEU A 56 12.463 0.373 -5.876 1.00 2.52 H new ATOM 839 N ARG A 57 17.174 -0.893 -3.635 1.00 3.11 N ATOM 840 CA ARG A 57 18.624 -0.808 -3.507 1.00 21.44 C ATOM 841 C ARG A 57 19.314 -1.713 -4.524 1.00 15.11 C ATOM 842 O ARG A 57 20.287 -1.316 -5.164 1.00 64.33 O ATOM 843 CB ARG A 57 19.055 -1.194 -2.090 1.00 64.04 C ATOM 844 CG ARG A 57 20.559 -1.349 -1.933 1.00 21.32 C ATOM 845 CD ARG A 57 20.997 -2.789 -2.153 1.00 53.25 C ATOM 846 NE ARG A 57 21.649 -3.350 -0.973 1.00 42.44 N ATOM 847 CZ ARG A 57 22.321 -4.496 -0.980 1.00 11.42 C ATOM 848 NH1 ARG A 57 22.428 -5.199 -2.099 1.00 3.51 N ATOM 849 NH2 ARG A 57 22.887 -4.940 0.135 1.00 63.34 N ATOM 0 H ARG A 57 16.694 -1.213 -2.794 1.00 3.11 H new ATOM 0 HA ARG A 57 18.921 0.222 -3.703 1.00 21.44 H new ATOM 0 HB2 ARG A 57 18.701 -0.435 -1.392 1.00 64.04 H new ATOM 0 HB3 ARG A 57 18.571 -2.131 -1.814 1.00 64.04 H new ATOM 0 HG2 ARG A 57 21.069 -0.700 -2.645 1.00 21.32 H new ATOM 0 HG3 ARG A 57 20.857 -1.025 -0.936 1.00 21.32 H new ATOM 0 HD2 ARG A 57 20.129 -3.396 -2.411 1.00 53.25 H new ATOM 0 HD3 ARG A 57 21.681 -2.834 -3.001 1.00 53.25 H new ATOM 0 HE ARG A 57 21.585 -2.834 -0.096 1.00 42.44 H new ATOM 0 HH11 ARG A 57 21.994 -4.860 -2.958 1.00 3.51 H new ATOM 0 HH12 ARG A 57 22.945 -6.079 -2.101 1.00 3.51 H new ATOM 0 HH21 ARG A 57 22.806 -4.401 0.997 1.00 63.34 H new ATOM 0 HH22 ARG A 57 23.403 -5.820 0.130 1.00 63.34 H new ATOM 863 N LYS A 58 18.802 -2.931 -4.667 1.00 41.12 N ATOM 864 CA LYS A 58 19.367 -3.893 -5.606 1.00 53.34 C ATOM 865 C LYS A 58 19.393 -3.321 -7.020 1.00 64.13 C ATOM 866 O LYS A 58 20.444 -3.270 -7.659 1.00 22.14 O ATOM 867 CB LYS A 58 18.558 -5.192 -5.585 1.00 65.03 C ATOM 868 CG LYS A 58 19.096 -6.227 -4.612 1.00 61.03 C ATOM 869 CD LYS A 58 19.521 -7.498 -5.329 1.00 3.24 C ATOM 870 CE LYS A 58 20.802 -8.069 -4.738 1.00 53.54 C ATOM 871 NZ LYS A 58 21.533 -8.919 -5.718 1.00 2.11 N ATOM 0 H LYS A 58 17.997 -3.275 -4.144 1.00 41.12 H new ATOM 0 HA LYS A 58 20.391 -4.105 -5.299 1.00 53.34 H new ATOM 0 HB2 LYS A 58 17.525 -4.963 -5.324 1.00 65.03 H new ATOM 0 HB3 LYS A 58 18.546 -5.619 -6.588 1.00 65.03 H new ATOM 0 HG2 LYS A 58 19.946 -5.812 -4.071 1.00 61.03 H new ATOM 0 HG3 LYS A 58 18.332 -6.464 -3.872 1.00 61.03 H new ATOM 0 HD2 LYS A 58 18.725 -8.239 -5.260 1.00 3.24 H new ATOM 0 HD3 LYS A 58 19.670 -7.287 -6.388 1.00 3.24 H new ATOM 0 HE2 LYS A 58 21.447 -7.253 -4.412 1.00 53.54 H new ATOM 0 HE3 LYS A 58 20.563 -8.659 -3.853 1.00 53.54 H new ATOM 0 HZ1 LYS A 58 22.400 -9.289 -5.278 1.00 2.11 H new ATOM 0 HZ2 LYS A 58 20.927 -9.712 -6.010 1.00 2.11 H new ATOM 0 HZ3 LYS A 58 21.784 -8.350 -6.552 1.00 2.11 H new ATOM 885 N GLU A 59 18.231 -2.891 -7.502 1.00 64.32 N ATOM 886 CA GLU A 59 18.124 -2.323 -8.841 1.00 15.24 C ATOM 887 C GLU A 59 19.095 -1.160 -9.018 1.00 3.44 C ATOM 888 O GLU A 59 19.901 -1.146 -9.947 1.00 63.44 O ATOM 889 CB GLU A 59 16.692 -1.851 -9.104 1.00 42.45 C ATOM 890 CG GLU A 59 15.670 -2.975 -9.100 1.00 12.55 C ATOM 891 CD GLU A 59 14.967 -3.130 -10.434 1.00 63.13 C ATOM 892 OE1 GLU A 59 14.209 -2.213 -10.815 1.00 64.45 O ATOM 893 OE2 GLU A 59 15.175 -4.168 -11.097 1.00 51.54 O ATOM 0 H GLU A 59 17.352 -2.925 -6.986 1.00 64.32 H new ATOM 0 HA GLU A 59 18.382 -3.101 -9.560 1.00 15.24 H new ATOM 0 HB2 GLU A 59 16.416 -1.117 -8.347 1.00 42.45 H new ATOM 0 HB3 GLU A 59 16.657 -1.343 -10.068 1.00 42.45 H new ATOM 0 HG2 GLU A 59 16.166 -3.911 -8.844 1.00 12.55 H new ATOM 0 HG3 GLU A 59 14.929 -2.785 -8.323 1.00 12.55 H new ATOM 900 N ALA A 60 19.012 -0.184 -8.119 1.00 34.44 N ATOM 901 CA ALA A 60 19.884 0.982 -8.174 1.00 14.32 C ATOM 902 C ALA A 60 21.346 0.569 -8.301 1.00 50.23 C ATOM 903 O ALA A 60 22.061 1.047 -9.181 1.00 62.24 O ATOM 904 CB ALA A 60 19.684 1.849 -6.940 1.00 12.43 C ATOM 0 H ALA A 60 18.349 -0.178 -7.344 1.00 34.44 H new ATOM 0 HA ALA A 60 19.619 1.561 -9.059 1.00 14.32 H new ATOM 0 HB1 ALA A 60 20.342 2.716 -6.994 1.00 12.43 H new ATOM 0 HB2 ALA A 60 18.647 2.182 -6.893 1.00 12.43 H new ATOM 0 HB3 ALA A 60 19.920 1.270 -6.047 1.00 12.43 H new ATOM 910 N ALA A 61 21.784 -0.321 -7.417 1.00 11.45 N ATOM 911 CA ALA A 61 23.161 -0.799 -7.431 1.00 52.44 C ATOM 912 C ALA A 61 23.530 -1.366 -8.798 1.00 4.41 C ATOM 913 O ALA A 61 24.607 -1.088 -9.325 1.00 22.11 O ATOM 914 CB ALA A 61 23.367 -1.848 -6.349 1.00 71.01 C ATOM 0 H ALA A 61 21.205 -0.726 -6.682 1.00 11.45 H new ATOM 0 HA ALA A 61 23.816 0.048 -7.229 1.00 52.44 H new ATOM 0 HB1 ALA A 61 24.400 -2.196 -6.371 1.00 71.01 H new ATOM 0 HB2 ALA A 61 23.152 -1.412 -5.374 1.00 71.01 H new ATOM 0 HB3 ALA A 61 22.697 -2.689 -6.526 1.00 71.01 H new ATOM 920 N ALA A 62 22.631 -2.162 -9.366 1.00 54.20 N ATOM 921 CA ALA A 62 22.862 -2.767 -10.672 1.00 1.32 C ATOM 922 C ALA A 62 23.092 -1.701 -11.738 1.00 13.33 C ATOM 923 O ALA A 62 24.029 -1.795 -12.531 1.00 52.20 O ATOM 924 CB ALA A 62 21.689 -3.657 -11.057 1.00 4.44 C ATOM 0 H ALA A 62 21.735 -2.403 -8.942 1.00 54.20 H new ATOM 0 HA ALA A 62 23.762 -3.379 -10.607 1.00 1.32 H new ATOM 0 HB1 ALA A 62 21.875 -4.102 -12.034 1.00 4.44 H new ATOM 0 HB2 ALA A 62 21.573 -4.447 -10.315 1.00 4.44 H new ATOM 0 HB3 ALA A 62 20.778 -3.060 -11.098 1.00 4.44 H new ATOM 930 N ILE A 63 22.231 -0.689 -11.751 1.00 11.42 N ATOM 931 CA ILE A 63 22.341 0.395 -12.719 1.00 61.15 C ATOM 932 C ILE A 63 23.681 1.112 -12.592 1.00 15.53 C ATOM 933 O ILE A 63 24.337 1.406 -13.591 1.00 53.30 O ATOM 934 CB ILE A 63 21.204 1.420 -12.550 1.00 21.24 C ATOM 935 CG1 ILE A 63 19.844 0.731 -12.676 1.00 71.23 C ATOM 936 CG2 ILE A 63 21.337 2.534 -13.577 1.00 25.10 C ATOM 937 CD1 ILE A 63 18.675 1.639 -12.365 1.00 41.32 C ATOM 0 H ILE A 63 21.449 -0.597 -11.102 1.00 11.42 H new ATOM 0 HA ILE A 63 22.266 -0.057 -13.708 1.00 61.15 H new ATOM 0 HB ILE A 63 21.277 1.860 -11.555 1.00 21.24 H new ATOM 0 HG12 ILE A 63 19.734 0.345 -13.689 1.00 71.23 H new ATOM 0 HG13 ILE A 63 19.817 -0.126 -12.003 1.00 71.23 H new ATOM 0 HG21 ILE A 63 20.526 3.250 -13.444 1.00 25.10 H new ATOM 0 HG22 ILE A 63 22.293 3.040 -13.443 1.00 25.10 H new ATOM 0 HG23 ILE A 63 21.287 2.112 -14.581 1.00 25.10 H new ATOM 0 HD11 ILE A 63 17.744 1.084 -12.475 1.00 41.32 H new ATOM 0 HD12 ILE A 63 18.761 2.005 -11.342 1.00 41.32 H new ATOM 0 HD13 ILE A 63 18.677 2.484 -13.054 1.00 41.32 H new ATOM 949 N ARG A 64 24.081 1.390 -11.355 1.00 42.13 N ATOM 950 CA ARG A 64 25.343 2.073 -11.096 1.00 62.33 C ATOM 951 C ARG A 64 26.518 1.272 -11.650 1.00 61.11 C ATOM 952 O ARG A 64 27.398 1.820 -12.314 1.00 50.20 O ATOM 953 CB ARG A 64 25.528 2.297 -9.594 1.00 75.43 C ATOM 954 CG ARG A 64 26.396 3.498 -9.260 1.00 11.43 C ATOM 955 CD ARG A 64 27.109 3.317 -7.929 1.00 12.23 C ATOM 956 NE ARG A 64 27.133 4.552 -7.148 1.00 61.54 N ATOM 957 CZ ARG A 64 27.970 5.555 -7.387 1.00 0.23 C ATOM 958 NH1 ARG A 64 28.846 5.471 -8.378 1.00 41.03 N ATOM 959 NH2 ARG A 64 27.931 6.646 -6.633 1.00 2.34 N ATOM 0 H ARG A 64 23.550 1.153 -10.517 1.00 42.13 H new ATOM 0 HA ARG A 64 25.314 3.039 -11.599 1.00 62.33 H new ATOM 0 HB2 ARG A 64 24.550 2.427 -9.131 1.00 75.43 H new ATOM 0 HB3 ARG A 64 25.973 1.404 -9.154 1.00 75.43 H new ATOM 0 HG2 ARG A 64 27.131 3.648 -10.050 1.00 11.43 H new ATOM 0 HG3 ARG A 64 25.779 4.396 -9.224 1.00 11.43 H new ATOM 0 HD2 ARG A 64 26.612 2.535 -7.355 1.00 12.23 H new ATOM 0 HD3 ARG A 64 28.130 2.981 -8.108 1.00 12.23 H new ATOM 0 HE ARG A 64 26.471 4.649 -6.378 1.00 61.54 H new ATOM 0 HH11 ARG A 64 28.879 4.634 -8.960 1.00 41.03 H new ATOM 0 HH12 ARG A 64 29.487 6.243 -8.559 1.00 41.03 H new ATOM 0 HH21 ARG A 64 27.258 6.715 -5.870 1.00 2.34 H new ATOM 0 HH22 ARG A 64 28.574 7.416 -6.817 1.00 2.34 H new ATOM 973 N ASP A 65 26.525 -0.027 -11.372 1.00 23.02 N ATOM 974 CA ASP A 65 27.591 -0.904 -11.842 1.00 44.23 C ATOM 975 C ASP A 65 27.680 -0.883 -13.365 1.00 72.11 C ATOM 976 O ASP A 65 28.770 -0.813 -13.932 1.00 31.45 O ATOM 977 CB ASP A 65 27.358 -2.334 -11.352 1.00 44.20 C ATOM 978 CG ASP A 65 27.663 -2.497 -9.876 1.00 4.41 C ATOM 979 OD1 ASP A 65 28.288 -1.584 -9.294 1.00 74.35 O ATOM 980 OD2 ASP A 65 27.277 -3.536 -9.302 1.00 1.01 O ATOM 0 H ASP A 65 25.804 -0.496 -10.823 1.00 23.02 H new ATOM 0 HA ASP A 65 28.534 -0.538 -11.436 1.00 44.23 H new ATOM 0 HB2 ASP A 65 26.321 -2.615 -11.539 1.00 44.20 H new ATOM 0 HB3 ASP A 65 27.982 -3.018 -11.927 1.00 44.20 H new ATOM 985 N GLU A 66 26.525 -0.945 -14.021 1.00 21.11 N ATOM 986 CA GLU A 66 26.474 -0.935 -15.478 1.00 75.31 C ATOM 987 C GLU A 66 27.078 0.350 -16.035 1.00 51.43 C ATOM 988 O GLU A 66 27.918 0.315 -16.935 1.00 24.31 O ATOM 989 CB GLU A 66 25.029 -1.084 -15.960 1.00 50.44 C ATOM 990 CG GLU A 66 24.310 -2.285 -15.370 1.00 3.14 C ATOM 991 CD GLU A 66 24.038 -3.366 -16.398 1.00 11.41 C ATOM 992 OE1 GLU A 66 24.990 -3.773 -17.096 1.00 22.02 O ATOM 993 OE2 GLU A 66 22.874 -3.803 -16.505 1.00 35.50 O ATOM 0 H GLU A 66 25.613 -1.003 -13.567 1.00 21.11 H new ATOM 0 HA GLU A 66 27.060 -1.778 -15.843 1.00 75.31 H new ATOM 0 HB2 GLU A 66 24.476 -0.180 -15.707 1.00 50.44 H new ATOM 0 HB3 GLU A 66 25.024 -1.167 -17.047 1.00 50.44 H new ATOM 0 HG2 GLU A 66 24.910 -2.701 -14.561 1.00 3.14 H new ATOM 0 HG3 GLU A 66 23.366 -1.960 -14.932 1.00 3.14 H new ATOM 1000 N CYS A 67 26.644 1.484 -15.495 1.00 74.52 N ATOM 1001 CA CYS A 67 27.140 2.781 -15.939 1.00 1.44 C ATOM 1002 C CYS A 67 28.656 2.863 -15.791 1.00 11.01 C ATOM 1003 O CYS A 67 29.343 3.415 -16.650 1.00 23.05 O ATOM 1004 CB CYS A 67 26.476 3.904 -15.140 1.00 45.42 C ATOM 1005 SG CYS A 67 24.677 3.963 -15.304 1.00 52.04 S ATOM 0 H CYS A 67 25.950 1.531 -14.749 1.00 74.52 H new ATOM 0 HA CYS A 67 26.889 2.897 -16.993 1.00 1.44 H new ATOM 0 HB2 CYS A 67 26.730 3.785 -14.087 1.00 45.42 H new ATOM 0 HB3 CYS A 67 26.891 4.859 -15.462 1.00 45.42 H new ATOM 0 HG CYS A 67 24.150 2.962 -14.663 1.00 52.04 H new ATOM 1011 N GLN A 68 29.169 2.311 -14.696 1.00 41.30 N ATOM 1012 CA GLN A 68 30.604 2.324 -14.435 1.00 54.32 C ATOM 1013 C GLN A 68 31.341 1.404 -15.402 1.00 21.30 C ATOM 1014 O GLN A 68 32.484 1.666 -15.774 1.00 24.12 O ATOM 1015 CB GLN A 68 30.885 1.899 -12.993 1.00 10.51 C ATOM 1016 CG GLN A 68 30.356 2.878 -11.956 1.00 70.54 C ATOM 1017 CD GLN A 68 30.106 2.224 -10.611 1.00 41.14 C ATOM 1018 OE1 GLN A 68 29.174 1.435 -10.455 1.00 62.45 O ATOM 1019 NE2 GLN A 68 30.940 2.550 -9.631 1.00 14.35 N ATOM 0 H GLN A 68 28.613 1.850 -13.976 1.00 41.30 H new ATOM 0 HA GLN A 68 30.966 3.341 -14.583 1.00 54.32 H new ATOM 0 HB2 GLN A 68 30.438 0.920 -12.818 1.00 10.51 H new ATOM 0 HB3 GLN A 68 31.961 1.787 -12.859 1.00 10.51 H new ATOM 0 HG2 GLN A 68 31.070 3.692 -11.833 1.00 70.54 H new ATOM 0 HG3 GLN A 68 29.428 3.320 -12.319 1.00 70.54 H new ATOM 0 HE21 GLN A 68 31.699 3.209 -9.805 1.00 14.35 H new ATOM 0 HE22 GLN A 68 30.822 2.142 -8.704 1.00 14.35 H new ATOM 1028 N ALA A 69 30.679 0.324 -15.805 1.00 12.21 N ATOM 1029 CA ALA A 69 31.271 -0.634 -16.730 1.00 31.44 C ATOM 1030 C ALA A 69 31.172 -0.141 -18.169 1.00 62.33 C ATOM 1031 O ALA A 69 31.715 -0.759 -19.086 1.00 5.53 O ATOM 1032 CB ALA A 69 30.597 -1.991 -16.587 1.00 12.11 C ATOM 0 H ALA A 69 29.732 0.091 -15.505 1.00 12.21 H new ATOM 0 HA ALA A 69 32.327 -0.737 -16.481 1.00 31.44 H new ATOM 0 HB1 ALA A 69 31.049 -2.697 -17.284 1.00 12.11 H new ATOM 0 HB2 ALA A 69 30.725 -2.355 -15.568 1.00 12.11 H new ATOM 0 HB3 ALA A 69 29.534 -1.894 -16.807 1.00 12.11 H new ATOM 1038 N TYR A 70 30.475 0.973 -18.361 1.00 44.14 N ATOM 1039 CA TYR A 70 30.303 1.547 -19.691 1.00 11.15 C ATOM 1040 C TYR A 70 31.199 2.768 -19.877 1.00 72.22 C ATOM 1041 O TYR A 70 31.723 3.006 -20.965 1.00 45.12 O ATOM 1042 CB TYR A 70 28.840 1.935 -19.916 1.00 25.32 C ATOM 1043 CG TYR A 70 27.887 0.763 -19.853 1.00 11.03 C ATOM 1044 CD1 TYR A 70 28.281 -0.502 -20.271 1.00 43.00 C ATOM 1045 CD2 TYR A 70 26.592 0.921 -19.376 1.00 35.22 C ATOM 1046 CE1 TYR A 70 27.413 -1.575 -20.216 1.00 24.40 C ATOM 1047 CE2 TYR A 70 25.717 -0.147 -19.316 1.00 24.12 C ATOM 1048 CZ TYR A 70 26.133 -1.393 -19.737 1.00 71.11 C ATOM 1049 OH TYR A 70 25.265 -2.459 -19.680 1.00 74.22 O ATOM 0 H TYR A 70 30.020 1.497 -17.613 1.00 44.14 H new ATOM 0 HA TYR A 70 30.589 0.793 -20.425 1.00 11.15 H new ATOM 0 HB2 TYR A 70 28.548 2.671 -19.166 1.00 25.32 H new ATOM 0 HB3 TYR A 70 28.746 2.417 -20.889 1.00 25.32 H new ATOM 0 HD1 TYR A 70 29.283 -0.649 -20.645 1.00 43.00 H new ATOM 0 HD2 TYR A 70 26.263 1.895 -19.046 1.00 35.22 H new ATOM 0 HE1 TYR A 70 27.735 -2.551 -20.546 1.00 24.40 H new ATOM 0 HE2 TYR A 70 24.714 -0.007 -18.942 1.00 24.12 H new ATOM 0 HH TYR A 70 25.252 -2.822 -18.770 1.00 74.22 H new ATOM 1059 N ARG A 71 31.369 3.538 -18.807 1.00 63.44 N ATOM 1060 CA ARG A 71 32.201 4.734 -18.852 1.00 11.31 C ATOM 1061 C ARG A 71 33.132 4.795 -17.644 1.00 71.44 C ATOM 1062 O ARG A 71 33.331 5.856 -17.053 1.00 12.21 O ATOM 1063 CB ARG A 71 31.325 5.988 -18.897 1.00 45.04 C ATOM 1064 CG ARG A 71 31.909 7.108 -19.744 1.00 31.24 C ATOM 1065 CD ARG A 71 30.816 7.960 -20.370 1.00 62.11 C ATOM 1066 NE ARG A 71 31.346 9.193 -20.945 1.00 0.51 N ATOM 1067 CZ ARG A 71 30.670 9.958 -21.795 1.00 74.10 C ATOM 1068 NH1 ARG A 71 29.443 9.617 -22.167 1.00 4.23 N ATOM 1069 NH2 ARG A 71 31.220 11.066 -22.275 1.00 33.02 N ATOM 0 H ARG A 71 30.942 3.355 -17.899 1.00 63.44 H new ATOM 0 HA ARG A 71 32.809 4.690 -19.756 1.00 11.31 H new ATOM 0 HB2 ARG A 71 30.343 5.722 -19.289 1.00 45.04 H new ATOM 0 HB3 ARG A 71 31.175 6.353 -17.881 1.00 45.04 H new ATOM 0 HG2 ARG A 71 32.552 7.735 -19.127 1.00 31.24 H new ATOM 0 HG3 ARG A 71 32.536 6.684 -20.529 1.00 31.24 H new ATOM 0 HD2 ARG A 71 30.309 7.387 -21.146 1.00 62.11 H new ATOM 0 HD3 ARG A 71 30.069 8.204 -19.615 1.00 62.11 H new ATOM 0 HE ARG A 71 32.287 9.483 -20.679 1.00 0.51 H new ATOM 0 HH11 ARG A 71 29.017 8.766 -21.800 1.00 4.23 H new ATOM 0 HH12 ARG A 71 28.926 10.206 -22.820 1.00 4.23 H new ATOM 0 HH21 ARG A 71 32.163 11.331 -21.991 1.00 33.02 H new ATOM 0 HH22 ARG A 71 30.700 11.652 -22.928 1.00 33.02 H new