USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 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 53 THR OG1 : rot 180:sc= -0.0677 USER MOD Set 1.2: A 56 SER OG : rot 40:sc= 0.932 USER MOD Set 2.1: A 18 THR OG1 : rot -89:sc= 0.0419 USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.22) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00265 USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= 1.01 (180deg=0.83) USER MOD Single : A 29 SER OG : rot 73:sc= 1.28 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= -0.0162 (180deg=-0.171) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 101:sc= 1.25 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.0473 K(o=0.047,f=-7.2!) USER MOD Single : A 50 SER OG : rot -40:sc= -0.684! USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 1.48 (180deg=1.32) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.097 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00244) USER MOD Single : A 78 THR OG1 : rot 170:sc= -0.501 USER MOD Single : A 80 SER OG : rot 79:sc= 0.0253 USER MOD ----------------------------------------------------------------- ATOM 61 N PHE A 6 14.365 -2.217 -8.120 1.00 41.42 N ATOM 62 CA PHE A 6 14.098 -2.695 -6.772 1.00 1.04 C ATOM 63 C PHE A 6 14.800 -4.025 -6.551 1.00 70.43 C ATOM 64 O PHE A 6 15.106 -4.738 -7.511 1.00 22.05 O ATOM 65 CB PHE A 6 12.595 -2.874 -6.527 1.00 50.42 C ATOM 66 CG PHE A 6 11.813 -1.588 -6.446 1.00 4.43 C ATOM 67 CD1 PHE A 6 11.463 -0.894 -7.593 1.00 21.41 C ATOM 68 CD2 PHE A 6 11.413 -1.090 -5.217 1.00 32.33 C ATOM 69 CE1 PHE A 6 10.733 0.277 -7.514 1.00 73.42 C ATOM 70 CE2 PHE A 6 10.684 0.080 -5.133 1.00 3.00 C ATOM 71 CZ PHE A 6 10.343 0.763 -6.283 1.00 0.01 C ATOM 0 HA PHE A 6 14.475 -1.949 -6.073 1.00 1.04 H new ATOM 0 HB2 PHE A 6 12.180 -3.486 -7.328 1.00 50.42 H new ATOM 0 HB3 PHE A 6 12.455 -3.428 -5.598 1.00 50.42 H new ATOM 0 HD1 PHE A 6 11.764 -1.272 -8.559 1.00 21.41 H new ATOM 0 HD2 PHE A 6 11.674 -1.623 -4.314 1.00 32.33 H new ATOM 0 HE1 PHE A 6 10.468 0.811 -8.415 1.00 73.42 H new ATOM 0 HE2 PHE A 6 10.381 0.460 -4.169 1.00 3.00 H new ATOM 0 HZ PHE A 6 9.771 1.677 -6.219 1.00 0.01 H new ATOM 81 N ILE A 7 15.042 -4.362 -5.294 1.00 54.20 N ATOM 82 CA ILE A 7 15.711 -5.613 -4.954 1.00 24.20 C ATOM 83 C ILE A 7 14.790 -6.798 -5.210 1.00 44.32 C ATOM 84 O ILE A 7 15.143 -7.730 -5.937 1.00 41.44 O ATOM 85 CB ILE A 7 16.163 -5.627 -3.479 1.00 10.11 C ATOM 86 CG1 ILE A 7 17.071 -4.428 -3.196 1.00 44.00 C ATOM 87 CG2 ILE A 7 16.881 -6.933 -3.149 1.00 61.41 C ATOM 88 CD1 ILE A 7 17.442 -4.281 -1.740 1.00 54.01 C ATOM 0 H ILE A 7 14.786 -3.788 -4.490 1.00 54.20 H new ATOM 0 HA ILE A 7 16.593 -5.693 -5.589 1.00 24.20 H new ATOM 0 HB ILE A 7 15.280 -5.555 -2.843 1.00 10.11 H new ATOM 0 HG12 ILE A 7 17.982 -4.526 -3.786 1.00 44.00 H new ATOM 0 HG13 ILE A 7 16.571 -3.518 -3.529 1.00 44.00 H new ATOM 0 HG21 ILE A 7 17.192 -6.923 -2.104 1.00 61.41 H new ATOM 0 HG22 ILE A 7 16.206 -7.772 -3.319 1.00 61.41 H new ATOM 0 HG23 ILE A 7 17.758 -7.037 -3.788 1.00 61.41 H new ATOM 0 HD11 ILE A 7 18.086 -3.411 -1.615 1.00 54.01 H new ATOM 0 HD12 ILE A 7 16.538 -4.151 -1.145 1.00 54.01 H new ATOM 0 HD13 ILE A 7 17.970 -5.174 -1.407 1.00 54.01 H new ATOM 100 N ILE A 8 13.608 -6.755 -4.616 1.00 51.21 N ATOM 101 CA ILE A 8 12.634 -7.822 -4.774 1.00 70.21 C ATOM 102 C ILE A 8 11.854 -7.644 -6.071 1.00 55.10 C ATOM 103 O ILE A 8 11.394 -6.545 -6.390 1.00 3.22 O ATOM 104 CB ILE A 8 11.662 -7.872 -3.575 1.00 62.41 C ATOM 105 CG1 ILE A 8 12.453 -8.063 -2.281 1.00 62.44 C ATOM 106 CG2 ILE A 8 10.649 -8.996 -3.749 1.00 31.52 C ATOM 107 CD1 ILE A 8 11.611 -7.960 -1.028 1.00 11.12 C ATOM 0 H ILE A 8 13.300 -5.989 -4.018 1.00 51.21 H new ATOM 0 HA ILE A 8 13.177 -8.766 -4.813 1.00 70.21 H new ATOM 0 HB ILE A 8 11.116 -6.930 -3.525 1.00 62.41 H new ATOM 0 HG12 ILE A 8 12.937 -9.040 -2.303 1.00 62.44 H new ATOM 0 HG13 ILE A 8 13.245 -7.316 -2.237 1.00 62.44 H new ATOM 0 HG21 ILE A 8 9.974 -9.013 -2.893 1.00 31.52 H new ATOM 0 HG22 ILE A 8 10.075 -8.830 -4.661 1.00 31.52 H new ATOM 0 HG23 ILE A 8 11.172 -9.950 -3.818 1.00 31.52 H new ATOM 0 HD11 ILE A 8 12.243 -8.107 -0.152 1.00 11.12 H new ATOM 0 HD12 ILE A 8 11.148 -6.974 -0.981 1.00 11.12 H new ATOM 0 HD13 ILE A 8 10.835 -8.725 -1.047 1.00 11.12 H new ATOM 119 N LYS A 9 11.727 -8.733 -6.815 1.00 13.41 N ATOM 120 CA LYS A 9 11.054 -8.710 -8.110 1.00 35.20 C ATOM 121 C LYS A 9 9.597 -9.137 -7.975 1.00 65.23 C ATOM 122 O LYS A 9 9.110 -9.369 -6.870 1.00 32.44 O ATOM 123 CB LYS A 9 11.778 -9.622 -9.108 1.00 1.15 C ATOM 124 CG LYS A 9 12.877 -8.930 -9.906 1.00 42.24 C ATOM 125 CD LYS A 9 13.952 -8.330 -9.011 1.00 62.32 C ATOM 126 CE LYS A 9 15.001 -7.595 -9.828 1.00 12.24 C ATOM 127 NZ LYS A 9 15.976 -6.873 -8.967 1.00 50.33 N ATOM 0 H LYS A 9 12.083 -9.650 -6.544 1.00 13.41 H new ATOM 0 HA LYS A 9 11.080 -7.686 -8.484 1.00 35.20 H new ATOM 0 HB2 LYS A 9 12.213 -10.462 -8.566 1.00 1.15 H new ATOM 0 HB3 LYS A 9 11.046 -10.035 -9.802 1.00 1.15 H new ATOM 0 HG2 LYS A 9 13.334 -9.647 -10.588 1.00 42.24 H new ATOM 0 HG3 LYS A 9 12.437 -8.143 -10.519 1.00 42.24 H new ATOM 0 HD2 LYS A 9 13.494 -7.643 -8.299 1.00 62.32 H new ATOM 0 HD3 LYS A 9 14.428 -9.120 -8.430 1.00 62.32 H new ATOM 0 HE2 LYS A 9 15.533 -8.307 -10.459 1.00 12.24 H new ATOM 0 HE3 LYS A 9 14.510 -6.885 -10.493 1.00 12.24 H new ATOM 0 HZ1 LYS A 9 16.653 -6.358 -9.566 1.00 50.33 H new ATOM 0 HZ2 LYS A 9 15.469 -6.199 -8.359 1.00 50.33 H new ATOM 0 HZ3 LYS A 9 16.488 -7.557 -8.374 1.00 50.33 H new ATOM 141 N GLU A 10 8.908 -9.236 -9.105 1.00 71.42 N ATOM 142 CA GLU A 10 7.506 -9.598 -9.128 1.00 75.01 C ATOM 143 C GLU A 10 7.308 -11.067 -8.770 1.00 74.54 C ATOM 144 O GLU A 10 8.258 -11.853 -8.775 1.00 1.42 O ATOM 145 CB GLU A 10 6.947 -9.324 -10.519 1.00 10.23 C ATOM 146 CG GLU A 10 7.051 -7.868 -10.935 1.00 43.34 C ATOM 147 CD GLU A 10 6.771 -7.670 -12.407 1.00 33.10 C ATOM 148 OE1 GLU A 10 7.693 -7.884 -13.222 1.00 32.33 O ATOM 149 OE2 GLU A 10 5.626 -7.317 -12.761 1.00 21.31 O ATOM 0 H GLU A 10 9.309 -9.067 -10.027 1.00 71.42 H new ATOM 0 HA GLU A 10 6.977 -9.000 -8.386 1.00 75.01 H new ATOM 0 HB2 GLU A 10 7.479 -9.940 -11.244 1.00 10.23 H new ATOM 0 HB3 GLU A 10 5.901 -9.629 -10.548 1.00 10.23 H new ATOM 0 HG2 GLU A 10 6.348 -7.275 -10.351 1.00 43.34 H new ATOM 0 HG3 GLU A 10 8.050 -7.497 -10.704 1.00 43.34 H new ATOM 156 N GLY A 11 6.073 -11.431 -8.470 1.00 51.33 N ATOM 157 CA GLY A 11 5.760 -12.799 -8.134 1.00 11.01 C ATOM 158 C GLY A 11 4.301 -12.956 -7.770 1.00 54.11 C ATOM 159 O GLY A 11 3.493 -12.067 -8.038 1.00 61.21 O ATOM 0 H GLY A 11 5.275 -10.795 -8.454 1.00 51.33 H new ATOM 0 HA2 GLY A 11 5.998 -13.446 -8.978 1.00 11.01 H new ATOM 0 HA3 GLY A 11 6.382 -13.122 -7.299 1.00 11.01 H new ATOM 163 N ASP A 12 3.965 -14.076 -7.152 1.00 0.40 N ATOM 164 CA ASP A 12 2.594 -14.340 -6.724 1.00 41.03 C ATOM 165 C ASP A 12 2.458 -14.011 -5.249 1.00 71.05 C ATOM 166 O ASP A 12 1.376 -13.709 -4.750 1.00 61.42 O ATOM 167 CB ASP A 12 2.223 -15.807 -6.960 1.00 70.14 C ATOM 168 CG ASP A 12 2.254 -16.203 -8.422 1.00 45.22 C ATOM 169 OD1 ASP A 12 3.361 -16.380 -8.972 1.00 1.55 O ATOM 170 OD2 ASP A 12 1.169 -16.369 -9.024 1.00 1.32 O ATOM 0 H ASP A 12 4.624 -14.823 -6.933 1.00 0.40 H new ATOM 0 HA ASP A 12 1.918 -13.716 -7.309 1.00 41.03 H new ATOM 0 HB2 ASP A 12 2.911 -16.443 -6.403 1.00 70.14 H new ATOM 0 HB3 ASP A 12 1.225 -15.991 -6.561 1.00 70.14 H new ATOM 175 N GLU A 13 3.583 -14.097 -4.563 1.00 24.23 N ATOM 176 CA GLU A 13 3.671 -13.776 -3.150 1.00 63.33 C ATOM 177 C GLU A 13 4.217 -12.368 -2.967 1.00 35.51 C ATOM 178 O GLU A 13 4.365 -11.883 -1.845 1.00 31.45 O ATOM 179 CB GLU A 13 4.572 -14.789 -2.427 1.00 31.21 C ATOM 180 CG GLU A 13 5.946 -14.981 -3.065 1.00 71.21 C ATOM 181 CD GLU A 13 5.939 -15.943 -4.248 1.00 30.45 C ATOM 182 OE1 GLU A 13 5.596 -15.516 -5.373 1.00 31.32 O ATOM 183 OE2 GLU A 13 6.270 -17.132 -4.057 1.00 54.40 O ATOM 0 H GLU A 13 4.468 -14.394 -4.974 1.00 24.23 H new ATOM 0 HA GLU A 13 2.672 -13.827 -2.718 1.00 63.33 H new ATOM 0 HB2 GLU A 13 4.706 -14.465 -1.395 1.00 31.21 H new ATOM 0 HB3 GLU A 13 4.062 -15.752 -2.395 1.00 31.21 H new ATOM 0 HG2 GLU A 13 6.322 -14.013 -3.396 1.00 71.21 H new ATOM 0 HG3 GLU A 13 6.640 -15.351 -2.310 1.00 71.21 H new ATOM 190 N VAL A 14 4.510 -11.714 -4.082 1.00 61.14 N ATOM 191 CA VAL A 14 5.093 -10.382 -4.061 1.00 11.42 C ATOM 192 C VAL A 14 4.252 -9.416 -4.886 1.00 3.24 C ATOM 193 O VAL A 14 3.861 -9.729 -6.011 1.00 42.34 O ATOM 194 CB VAL A 14 6.532 -10.384 -4.617 1.00 33.34 C ATOM 195 CG1 VAL A 14 7.168 -9.012 -4.458 1.00 24.41 C ATOM 196 CG2 VAL A 14 7.381 -11.454 -3.943 1.00 11.53 C ATOM 0 H VAL A 14 4.352 -12.088 -5.018 1.00 61.14 H new ATOM 0 HA VAL A 14 5.116 -10.060 -3.020 1.00 11.42 H new ATOM 0 HB VAL A 14 6.482 -10.620 -5.680 1.00 33.34 H new ATOM 0 HG11 VAL A 14 8.183 -9.033 -4.856 1.00 24.41 H new ATOM 0 HG12 VAL A 14 6.580 -8.273 -5.002 1.00 24.41 H new ATOM 0 HG13 VAL A 14 7.198 -8.745 -3.402 1.00 24.41 H new ATOM 0 HG21 VAL A 14 8.390 -11.431 -4.355 1.00 11.53 H new ATOM 0 HG22 VAL A 14 7.423 -11.263 -2.871 1.00 11.53 H new ATOM 0 HG23 VAL A 14 6.939 -12.434 -4.120 1.00 11.53 H new ATOM 206 N ALA A 15 3.983 -8.247 -4.328 1.00 13.10 N ATOM 207 CA ALA A 15 3.221 -7.219 -5.020 1.00 62.40 C ATOM 208 C ALA A 15 3.796 -5.844 -4.718 1.00 24.12 C ATOM 209 O ALA A 15 4.408 -5.638 -3.668 1.00 72.13 O ATOM 210 CB ALA A 15 1.755 -7.281 -4.615 1.00 70.31 C ATOM 0 H ALA A 15 4.284 -7.984 -3.389 1.00 13.10 H new ATOM 0 HA ALA A 15 3.291 -7.398 -6.093 1.00 62.40 H new ATOM 0 HB1 ALA A 15 1.199 -6.505 -5.142 1.00 70.31 H new ATOM 0 HB2 ALA A 15 1.347 -8.258 -4.873 1.00 70.31 H new ATOM 0 HB3 ALA A 15 1.668 -7.124 -3.540 1.00 70.31 H new ATOM 216 N ASP A 16 3.633 -4.912 -5.644 1.00 53.21 N ATOM 217 CA ASP A 16 4.053 -3.545 -5.416 1.00 33.53 C ATOM 218 C ASP A 16 2.851 -2.665 -5.155 1.00 33.05 C ATOM 219 O ASP A 16 1.837 -2.738 -5.853 1.00 63.22 O ATOM 220 CB ASP A 16 4.864 -2.999 -6.594 1.00 20.54 C ATOM 221 CG ASP A 16 4.142 -3.094 -7.928 1.00 1.03 C ATOM 222 OD1 ASP A 16 4.150 -4.188 -8.537 1.00 75.33 O ATOM 223 OD2 ASP A 16 3.584 -2.073 -8.383 1.00 23.34 O ATOM 0 H ASP A 16 3.213 -5.080 -6.558 1.00 53.21 H new ATOM 0 HA ASP A 16 4.699 -3.539 -4.538 1.00 33.53 H new ATOM 0 HB2 ASP A 16 5.114 -1.956 -6.399 1.00 20.54 H new ATOM 0 HB3 ASP A 16 5.805 -3.545 -6.660 1.00 20.54 H new ATOM 228 N VAL A 17 2.963 -1.849 -4.129 1.00 14.21 N ATOM 229 CA VAL A 17 1.895 -0.943 -3.757 1.00 33.13 C ATOM 230 C VAL A 17 2.393 0.483 -3.815 1.00 23.13 C ATOM 231 O VAL A 17 3.427 0.820 -3.242 1.00 51.53 O ATOM 232 CB VAL A 17 1.357 -1.216 -2.341 1.00 2.12 C ATOM 233 CG1 VAL A 17 0.080 -0.430 -2.092 1.00 62.13 C ATOM 234 CG2 VAL A 17 1.129 -2.703 -2.115 1.00 54.23 C ATOM 0 H VAL A 17 3.789 -1.794 -3.533 1.00 14.21 H new ATOM 0 HA VAL A 17 1.082 -1.103 -4.465 1.00 33.13 H new ATOM 0 HB VAL A 17 2.110 -0.883 -1.627 1.00 2.12 H new ATOM 0 HG11 VAL A 17 -0.284 -0.637 -1.086 1.00 62.13 H new ATOM 0 HG12 VAL A 17 0.284 0.636 -2.192 1.00 62.13 H new ATOM 0 HG13 VAL A 17 -0.676 -0.725 -2.819 1.00 62.13 H new ATOM 0 HG21 VAL A 17 0.749 -2.864 -1.106 1.00 54.23 H new ATOM 0 HG22 VAL A 17 0.404 -3.074 -2.839 1.00 54.23 H new ATOM 0 HG23 VAL A 17 2.071 -3.238 -2.238 1.00 54.23 H new ATOM 244 N THR A 18 1.653 1.303 -4.515 1.00 50.12 N ATOM 245 CA THR A 18 1.985 2.700 -4.651 1.00 10.41 C ATOM 246 C THR A 18 0.956 3.536 -3.902 1.00 43.03 C ATOM 247 O THR A 18 -0.233 3.507 -4.219 1.00 43.23 O ATOM 248 CB THR A 18 2.045 3.114 -6.135 1.00 33.12 C ATOM 249 OG1 THR A 18 2.975 2.269 -6.834 1.00 41.25 O ATOM 250 CG2 THR A 18 2.472 4.567 -6.288 1.00 61.04 C ATOM 0 H THR A 18 0.804 1.023 -5.007 1.00 50.12 H new ATOM 0 HA THR A 18 2.972 2.872 -4.222 1.00 10.41 H new ATOM 0 HB THR A 18 1.046 3.003 -6.558 1.00 33.12 H new ATOM 0 HG1 THR A 18 3.871 2.665 -6.794 1.00 41.25 H new ATOM 0 HG21 THR A 18 2.504 4.827 -7.346 1.00 61.04 H new ATOM 0 HG22 THR A 18 1.757 5.212 -5.777 1.00 61.04 H new ATOM 0 HG23 THR A 18 3.461 4.704 -5.850 1.00 61.04 H new ATOM 258 N ILE A 19 1.413 4.257 -2.896 1.00 1.44 N ATOM 259 CA ILE A 19 0.521 5.015 -2.038 1.00 15.21 C ATOM 260 C ILE A 19 0.475 6.462 -2.495 1.00 44.34 C ATOM 261 O ILE A 19 1.480 7.006 -2.955 1.00 21.13 O ATOM 262 CB ILE A 19 0.982 4.954 -0.568 1.00 74.22 C ATOM 263 CG1 ILE A 19 1.163 3.497 -0.133 1.00 50.51 C ATOM 264 CG2 ILE A 19 -0.012 5.662 0.344 1.00 25.13 C ATOM 265 CD1 ILE A 19 1.734 3.346 1.259 1.00 52.22 C ATOM 0 H ILE A 19 2.400 4.334 -2.652 1.00 1.44 H new ATOM 0 HA ILE A 19 -0.474 4.574 -2.107 1.00 15.21 H new ATOM 0 HB ILE A 19 1.940 5.468 -0.487 1.00 74.22 H new ATOM 0 HG12 ILE A 19 0.199 2.991 -0.178 1.00 50.51 H new ATOM 0 HG13 ILE A 19 1.820 2.994 -0.842 1.00 50.51 H new ATOM 0 HG21 ILE A 19 0.336 5.605 1.375 1.00 25.13 H new ATOM 0 HG22 ILE A 19 -0.097 6.707 0.047 1.00 25.13 H new ATOM 0 HG23 ILE A 19 -0.987 5.181 0.263 1.00 25.13 H new ATOM 0 HD11 ILE A 19 1.834 2.287 1.498 1.00 52.22 H new ATOM 0 HD12 ILE A 19 2.713 3.822 1.304 1.00 52.22 H new ATOM 0 HD13 ILE A 19 1.067 3.819 1.979 1.00 52.22 H new ATOM 277 N PHE A 20 -0.695 7.069 -2.384 1.00 62.13 N ATOM 278 CA PHE A 20 -0.891 8.436 -2.831 1.00 30.01 C ATOM 279 C PHE A 20 -1.379 9.302 -1.684 1.00 25.24 C ATOM 280 O PHE A 20 -2.229 8.890 -0.890 1.00 31.11 O ATOM 281 CB PHE A 20 -1.901 8.499 -3.977 1.00 53.03 C ATOM 282 CG PHE A 20 -1.526 7.674 -5.179 1.00 53.34 C ATOM 283 CD1 PHE A 20 -0.664 8.178 -6.137 1.00 40.13 C ATOM 284 CD2 PHE A 20 -2.041 6.400 -5.349 1.00 64.14 C ATOM 285 CE1 PHE A 20 -0.319 7.426 -7.246 1.00 25.52 C ATOM 286 CE2 PHE A 20 -1.703 5.641 -6.455 1.00 64.33 C ATOM 287 CZ PHE A 20 -0.840 6.156 -7.405 1.00 71.24 C ATOM 0 H PHE A 20 -1.527 6.633 -1.986 1.00 62.13 H new ATOM 0 HA PHE A 20 0.069 8.810 -3.187 1.00 30.01 H new ATOM 0 HB2 PHE A 20 -2.871 8.164 -3.610 1.00 53.03 H new ATOM 0 HB3 PHE A 20 -2.018 9.538 -4.286 1.00 53.03 H new ATOM 0 HD1 PHE A 20 -0.255 9.171 -6.018 1.00 40.13 H new ATOM 0 HD2 PHE A 20 -2.715 5.994 -4.609 1.00 64.14 H new ATOM 0 HE1 PHE A 20 0.356 7.831 -7.986 1.00 25.52 H new ATOM 0 HE2 PHE A 20 -2.112 4.649 -6.576 1.00 64.33 H new ATOM 0 HZ PHE A 20 -0.574 5.567 -8.270 1.00 71.24 H new ATOM 297 N ALA A 21 -0.833 10.498 -1.612 1.00 43.33 N ATOM 298 CA ALA A 21 -1.217 11.482 -0.613 1.00 65.35 C ATOM 299 C ALA A 21 -0.665 12.838 -1.020 1.00 44.02 C ATOM 300 O ALA A 21 0.263 12.911 -1.820 1.00 43.41 O ATOM 301 CB ALA A 21 -0.718 11.085 0.769 1.00 70.04 C ATOM 0 H ALA A 21 -0.104 10.820 -2.249 1.00 43.33 H new ATOM 0 HA ALA A 21 -2.304 11.534 -0.560 1.00 65.35 H new ATOM 0 HB1 ALA A 21 -1.020 11.839 1.495 1.00 70.04 H new ATOM 0 HB2 ALA A 21 -1.145 10.122 1.047 1.00 70.04 H new ATOM 0 HB3 ALA A 21 0.369 11.009 0.755 1.00 70.04 H new ATOM 307 N GLU A 22 -1.224 13.907 -0.482 1.00 60.31 N ATOM 308 CA GLU A 22 -0.847 15.243 -0.904 1.00 1.11 C ATOM 309 C GLU A 22 0.423 15.722 -0.212 1.00 22.12 C ATOM 310 O GLU A 22 1.243 16.408 -0.825 1.00 51.55 O ATOM 311 CB GLU A 22 -1.995 16.214 -0.648 1.00 2.24 C ATOM 312 CG GLU A 22 -3.266 15.840 -1.389 1.00 4.41 C ATOM 313 CD GLU A 22 -3.042 15.694 -2.879 1.00 43.54 C ATOM 314 OE1 GLU A 22 -2.412 16.591 -3.478 1.00 60.12 O ATOM 315 OE2 GLU A 22 -3.479 14.677 -3.458 1.00 11.20 O ATOM 0 H GLU A 22 -1.938 13.876 0.246 1.00 60.31 H new ATOM 0 HA GLU A 22 -0.637 15.208 -1.973 1.00 1.11 H new ATOM 0 HB2 GLU A 22 -2.202 16.249 0.422 1.00 2.24 H new ATOM 0 HB3 GLU A 22 -1.689 17.217 -0.947 1.00 2.24 H new ATOM 0 HG2 GLU A 22 -3.655 14.903 -0.989 1.00 4.41 H new ATOM 0 HG3 GLU A 22 -4.025 16.602 -1.211 1.00 4.41 H new ATOM 322 N THR A 23 0.586 15.358 1.051 1.00 22.14 N ATOM 323 CA THR A 23 1.742 15.778 1.827 1.00 41.41 C ATOM 324 C THR A 23 2.666 14.597 2.119 1.00 30.52 C ATOM 325 O THR A 23 2.201 13.474 2.318 1.00 33.54 O ATOM 326 CB THR A 23 1.293 16.431 3.147 1.00 11.43 C ATOM 327 OG1 THR A 23 0.226 15.667 3.724 1.00 64.20 O ATOM 328 CG2 THR A 23 0.827 17.862 2.915 1.00 45.20 C ATOM 0 H THR A 23 -0.072 14.769 1.562 1.00 22.14 H new ATOM 0 HA THR A 23 2.294 16.509 1.237 1.00 41.41 H new ATOM 0 HB THR A 23 2.144 16.450 3.828 1.00 11.43 H new ATOM 0 HG1 THR A 23 -0.057 16.083 4.565 1.00 64.20 H new ATOM 0 HG21 THR A 23 0.515 18.301 3.863 1.00 45.20 H new ATOM 0 HG22 THR A 23 1.645 18.448 2.495 1.00 45.20 H new ATOM 0 HG23 THR A 23 -0.013 17.863 2.221 1.00 45.20 H new ATOM 336 N LYS A 24 3.971 14.862 2.137 1.00 25.45 N ATOM 337 CA LYS A 24 4.985 13.834 2.397 1.00 21.40 C ATOM 338 C LYS A 24 4.725 13.136 3.726 1.00 24.45 C ATOM 339 O LYS A 24 4.830 11.916 3.832 1.00 71.14 O ATOM 340 CB LYS A 24 6.379 14.469 2.398 1.00 61.34 C ATOM 341 CG LYS A 24 7.511 13.486 2.660 1.00 1.13 C ATOM 342 CD LYS A 24 8.868 14.161 2.533 1.00 41.25 C ATOM 343 CE LYS A 24 10.008 13.204 2.850 1.00 64.53 C ATOM 344 NZ LYS A 24 10.080 12.883 4.300 1.00 61.12 N ATOM 0 H LYS A 24 4.357 15.792 1.973 1.00 25.45 H new ATOM 0 HA LYS A 24 4.930 13.087 1.606 1.00 21.40 H new ATOM 0 HB2 LYS A 24 6.547 14.951 1.435 1.00 61.34 H new ATOM 0 HB3 LYS A 24 6.409 15.251 3.156 1.00 61.34 H new ATOM 0 HG2 LYS A 24 7.405 13.063 3.659 1.00 1.13 H new ATOM 0 HG3 LYS A 24 7.447 12.657 1.955 1.00 1.13 H new ATOM 0 HD2 LYS A 24 8.988 14.547 1.521 1.00 41.25 H new ATOM 0 HD3 LYS A 24 8.913 15.016 3.208 1.00 41.25 H new ATOM 0 HE2 LYS A 24 9.877 12.283 2.281 1.00 64.53 H new ATOM 0 HE3 LYS A 24 10.952 13.646 2.529 1.00 64.53 H new ATOM 0 HZ1 LYS A 24 10.701 12.062 4.443 1.00 61.12 H new ATOM 0 HZ2 LYS A 24 10.461 13.700 4.818 1.00 61.12 H new ATOM 0 HZ3 LYS A 24 9.127 12.662 4.654 1.00 61.12 H new ATOM 358 N ASP A 25 4.389 13.929 4.729 1.00 15.23 N ATOM 359 CA ASP A 25 3.991 13.411 6.036 1.00 65.14 C ATOM 360 C ASP A 25 2.865 12.395 5.899 1.00 12.22 C ATOM 361 O ASP A 25 2.921 11.320 6.488 1.00 65.43 O ATOM 362 CB ASP A 25 3.546 14.560 6.939 1.00 61.15 C ATOM 363 CG ASP A 25 2.974 14.080 8.258 1.00 62.33 C ATOM 364 OD1 ASP A 25 3.753 13.605 9.110 1.00 20.10 O ATOM 365 OD2 ASP A 25 1.741 14.174 8.444 1.00 75.33 O ATOM 0 H ASP A 25 4.383 14.947 4.666 1.00 15.23 H new ATOM 0 HA ASP A 25 4.851 12.912 6.482 1.00 65.14 H new ATOM 0 HB2 ASP A 25 4.396 15.214 7.133 1.00 61.15 H new ATOM 0 HB3 ASP A 25 2.797 15.157 6.418 1.00 61.15 H new ATOM 370 N ALA A 26 1.856 12.733 5.105 1.00 63.05 N ATOM 371 CA ALA A 26 0.735 11.831 4.869 1.00 64.31 C ATOM 372 C ALA A 26 1.206 10.551 4.190 1.00 31.14 C ATOM 373 O ALA A 26 0.755 9.461 4.538 1.00 13.44 O ATOM 374 CB ALA A 26 -0.341 12.512 4.040 1.00 4.03 C ATOM 0 H ALA A 26 1.791 13.625 4.614 1.00 63.05 H new ATOM 0 HA ALA A 26 0.304 11.567 5.835 1.00 64.31 H new ATOM 0 HB1 ALA A 26 -1.167 11.820 3.877 1.00 4.03 H new ATOM 0 HB2 ALA A 26 -0.705 13.393 4.569 1.00 4.03 H new ATOM 0 HB3 ALA A 26 0.076 12.812 3.079 1.00 4.03 H new ATOM 380 N LEU A 27 2.125 10.690 3.231 1.00 24.24 N ATOM 381 CA LEU A 27 2.747 9.536 2.589 1.00 73.11 C ATOM 382 C LEU A 27 3.352 8.614 3.640 1.00 62.02 C ATOM 383 O LEU A 27 3.044 7.423 3.701 1.00 44.12 O ATOM 384 CB LEU A 27 3.853 9.975 1.621 1.00 64.22 C ATOM 385 CG LEU A 27 3.430 10.226 0.170 1.00 65.44 C ATOM 386 CD1 LEU A 27 2.743 11.569 0.024 1.00 33.32 C ATOM 387 CD2 LEU A 27 4.640 10.151 -0.748 1.00 21.31 C ATOM 0 H LEU A 27 2.453 11.591 2.884 1.00 24.24 H new ATOM 0 HA LEU A 27 1.973 9.009 2.031 1.00 73.11 H new ATOM 0 HB2 LEU A 27 4.303 10.889 2.008 1.00 64.22 H new ATOM 0 HB3 LEU A 27 4.631 9.212 1.623 1.00 64.22 H new ATOM 0 HG LEU A 27 2.718 9.451 -0.114 1.00 65.44 H new ATOM 0 HD11 LEU A 27 2.454 11.719 -1.016 1.00 33.32 H new ATOM 0 HD12 LEU A 27 1.854 11.593 0.654 1.00 33.32 H new ATOM 0 HD13 LEU A 27 3.426 12.362 0.329 1.00 33.32 H new ATOM 0 HD21 LEU A 27 4.328 10.331 -1.777 1.00 21.31 H new ATOM 0 HD22 LEU A 27 5.368 10.906 -0.452 1.00 21.31 H new ATOM 0 HD23 LEU A 27 5.092 9.162 -0.674 1.00 21.31 H new ATOM 399 N GLU A 28 4.196 9.195 4.482 1.00 41.10 N ATOM 400 CA GLU A 28 4.920 8.460 5.502 1.00 23.12 C ATOM 401 C GLU A 28 3.991 7.922 6.595 1.00 24.12 C ATOM 402 O GLU A 28 4.251 6.866 7.175 1.00 44.34 O ATOM 403 CB GLU A 28 5.996 9.373 6.088 1.00 34.32 C ATOM 404 CG GLU A 28 7.118 9.661 5.103 1.00 15.11 C ATOM 405 CD GLU A 28 8.204 10.551 5.668 1.00 64.41 C ATOM 406 OE1 GLU A 28 8.079 11.784 5.563 1.00 1.32 O ATOM 407 OE2 GLU A 28 9.204 10.016 6.197 1.00 72.14 O ATOM 0 H GLU A 28 4.396 10.195 4.474 1.00 41.10 H new ATOM 0 HA GLU A 28 5.385 7.587 5.045 1.00 23.12 H new ATOM 0 HB2 GLU A 28 5.540 10.313 6.399 1.00 34.32 H new ATOM 0 HB3 GLU A 28 6.413 8.910 6.982 1.00 34.32 H new ATOM 0 HG2 GLU A 28 7.562 8.718 4.784 1.00 15.11 H new ATOM 0 HG3 GLU A 28 6.698 10.133 4.214 1.00 15.11 H new ATOM 414 N SER A 29 2.906 8.638 6.865 1.00 3.21 N ATOM 415 CA SER A 29 1.945 8.217 7.872 1.00 12.14 C ATOM 416 C SER A 29 1.090 7.056 7.368 1.00 53.11 C ATOM 417 O SER A 29 0.906 6.061 8.074 1.00 21.23 O ATOM 418 CB SER A 29 1.056 9.392 8.268 1.00 54.44 C ATOM 419 OG SER A 29 1.828 10.458 8.795 1.00 64.11 O ATOM 0 H SER A 29 2.671 9.514 6.399 1.00 3.21 H new ATOM 0 HA SER A 29 2.497 7.874 8.747 1.00 12.14 H new ATOM 0 HB2 SER A 29 0.496 9.738 7.399 1.00 54.44 H new ATOM 0 HB3 SER A 29 0.325 9.067 9.009 1.00 54.44 H new ATOM 0 HG SER A 29 2.313 10.901 8.068 1.00 64.11 H new ATOM 425 N GLU A 30 0.579 7.180 6.147 1.00 21.22 N ATOM 426 CA GLU A 30 -0.280 6.155 5.567 1.00 5.42 C ATOM 427 C GLU A 30 0.533 4.901 5.281 1.00 31.43 C ATOM 428 O GLU A 30 0.040 3.782 5.412 1.00 31.21 O ATOM 429 CB GLU A 30 -0.926 6.675 4.287 1.00 3.10 C ATOM 430 CG GLU A 30 -2.190 5.924 3.897 1.00 12.10 C ATOM 431 CD GLU A 30 -2.957 6.608 2.784 1.00 35.13 C ATOM 432 OE1 GLU A 30 -3.675 7.589 3.074 1.00 34.34 O ATOM 433 OE2 GLU A 30 -2.853 6.169 1.623 1.00 1.12 O ATOM 0 H GLU A 30 0.746 7.982 5.539 1.00 21.22 H new ATOM 0 HA GLU A 30 -1.069 5.907 6.277 1.00 5.42 H new ATOM 0 HB2 GLU A 30 -1.165 7.731 4.413 1.00 3.10 H new ATOM 0 HB3 GLU A 30 -0.206 6.606 3.472 1.00 3.10 H new ATOM 0 HG2 GLU A 30 -1.925 4.914 3.583 1.00 12.10 H new ATOM 0 HG3 GLU A 30 -2.835 5.828 4.771 1.00 12.10 H new ATOM 440 N LEU A 31 1.787 5.110 4.900 1.00 73.50 N ATOM 441 CA LEU A 31 2.736 4.015 4.699 1.00 33.51 C ATOM 442 C LEU A 31 2.760 3.107 5.916 1.00 21.33 C ATOM 443 O LEU A 31 2.637 1.887 5.805 1.00 22.13 O ATOM 444 CB LEU A 31 4.140 4.574 4.466 1.00 32.40 C ATOM 445 CG LEU A 31 5.220 3.531 4.164 1.00 72.21 C ATOM 446 CD1 LEU A 31 4.912 2.794 2.867 1.00 41.21 C ATOM 447 CD2 LEU A 31 6.592 4.188 4.092 1.00 3.02 C ATOM 0 H LEU A 31 2.176 6.036 4.722 1.00 73.50 H new ATOM 0 HA LEU A 31 2.420 3.443 3.827 1.00 33.51 H new ATOM 0 HB2 LEU A 31 4.099 5.280 3.637 1.00 32.40 H new ATOM 0 HB3 LEU A 31 4.440 5.137 5.350 1.00 32.40 H new ATOM 0 HG LEU A 31 5.228 2.804 4.976 1.00 72.21 H new ATOM 0 HD11 LEU A 31 5.692 2.058 2.673 1.00 41.21 H new ATOM 0 HD12 LEU A 31 3.950 2.288 2.955 1.00 41.21 H new ATOM 0 HD13 LEU A 31 4.873 3.507 2.044 1.00 41.21 H new ATOM 0 HD21 LEU A 31 7.347 3.432 3.877 1.00 3.02 H new ATOM 0 HD22 LEU A 31 6.595 4.939 3.302 1.00 3.02 H new ATOM 0 HD23 LEU A 31 6.818 4.664 5.046 1.00 3.02 H new ATOM 459 N ALA A 32 2.914 3.729 7.076 1.00 3.40 N ATOM 460 CA ALA A 32 2.936 3.013 8.345 1.00 3.43 C ATOM 461 C ALA A 32 1.680 2.165 8.525 1.00 4.05 C ATOM 462 O ALA A 32 1.756 1.030 8.984 1.00 14.22 O ATOM 463 CB ALA A 32 3.089 3.991 9.501 1.00 42.41 C ATOM 0 H ALA A 32 3.027 4.739 7.165 1.00 3.40 H new ATOM 0 HA ALA A 32 3.794 2.340 8.337 1.00 3.43 H new ATOM 0 HB1 ALA A 32 3.104 3.442 10.443 1.00 42.41 H new ATOM 0 HB2 ALA A 32 4.022 4.544 9.389 1.00 42.41 H new ATOM 0 HB3 ALA A 32 2.251 4.688 9.501 1.00 42.41 H new ATOM 469 N LYS A 33 0.531 2.706 8.137 1.00 43.32 N ATOM 470 CA LYS A 33 -0.732 1.994 8.263 1.00 14.00 C ATOM 471 C LYS A 33 -0.770 0.779 7.340 1.00 21.24 C ATOM 472 O LYS A 33 -1.340 -0.258 7.685 1.00 75.54 O ATOM 473 CB LYS A 33 -1.890 2.935 7.939 1.00 32.34 C ATOM 474 CG LYS A 33 -1.988 4.141 8.862 1.00 44.11 C ATOM 475 CD LYS A 33 -2.194 3.731 10.312 1.00 14.22 C ATOM 476 CE LYS A 33 -2.412 4.937 11.210 1.00 32.11 C ATOM 477 NZ LYS A 33 -2.569 4.544 12.635 1.00 12.51 N ATOM 0 H LYS A 33 0.450 3.638 7.731 1.00 43.32 H new ATOM 0 HA LYS A 33 -0.828 1.642 9.290 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -1.783 3.285 6.912 1.00 32.34 H new ATOM 0 HB3 LYS A 33 -2.824 2.375 7.990 1.00 32.34 H new ATOM 0 HG2 LYS A 33 -1.079 4.736 8.779 1.00 44.11 H new ATOM 0 HG3 LYS A 33 -2.815 4.776 8.543 1.00 44.11 H new ATOM 0 HD2 LYS A 33 -3.053 3.064 10.383 1.00 14.22 H new ATOM 0 HD3 LYS A 33 -1.326 3.171 10.659 1.00 14.22 H new ATOM 0 HE2 LYS A 33 -1.568 5.620 11.112 1.00 32.11 H new ATOM 0 HE3 LYS A 33 -3.300 5.478 10.882 1.00 32.11 H new ATOM 0 HZ1 LYS A 33 -2.716 5.394 13.215 1.00 12.51 H new ATOM 0 HZ2 LYS A 33 -3.389 3.912 12.733 1.00 12.51 H new ATOM 0 HZ3 LYS A 33 -1.712 4.050 12.955 1.00 12.51 H new ATOM 491 N TYR A 34 -0.163 0.911 6.169 1.00 41.44 N ATOM 492 CA TYR A 34 -0.061 -0.204 5.239 1.00 23.41 C ATOM 493 C TYR A 34 0.883 -1.269 5.782 1.00 4.44 C ATOM 494 O TYR A 34 0.620 -2.461 5.651 1.00 11.21 O ATOM 495 CB TYR A 34 0.402 0.271 3.861 1.00 43.41 C ATOM 496 CG TYR A 34 -0.723 0.789 2.992 1.00 32.31 C ATOM 497 CD1 TYR A 34 -1.189 2.092 3.122 1.00 73.10 C ATOM 498 CD2 TYR A 34 -1.315 -0.029 2.038 1.00 71.30 C ATOM 499 CE1 TYR A 34 -2.218 2.562 2.327 1.00 74.33 C ATOM 500 CE2 TYR A 34 -2.342 0.435 1.240 1.00 75.11 C ATOM 501 CZ TYR A 34 -2.788 1.731 1.387 1.00 3.04 C ATOM 502 OH TYR A 34 -3.809 2.194 0.592 1.00 11.13 O ATOM 0 H TYR A 34 0.265 1.777 5.841 1.00 41.44 H new ATOM 0 HA TYR A 34 -1.053 -0.643 5.129 1.00 23.41 H new ATOM 0 HB2 TYR A 34 1.145 1.059 3.988 1.00 43.41 H new ATOM 0 HB3 TYR A 34 0.896 -0.554 3.348 1.00 43.41 H new ATOM 0 HD1 TYR A 34 -0.741 2.747 3.855 1.00 73.10 H new ATOM 0 HD2 TYR A 34 -0.966 -1.044 1.919 1.00 71.30 H new ATOM 0 HE1 TYR A 34 -2.573 3.575 2.442 1.00 74.33 H new ATOM 0 HE2 TYR A 34 -2.794 -0.214 0.504 1.00 75.11 H new ATOM 0 HH TYR A 34 -4.097 1.483 -0.018 1.00 11.13 H new ATOM 512 N ILE A 35 1.973 -0.834 6.403 1.00 22.35 N ATOM 513 CA ILE A 35 2.905 -1.759 7.038 1.00 72.21 C ATOM 514 C ILE A 35 2.221 -2.466 8.208 1.00 3.13 C ATOM 515 O ILE A 35 2.393 -3.670 8.409 1.00 25.34 O ATOM 516 CB ILE A 35 4.176 -1.033 7.541 1.00 14.22 C ATOM 517 CG1 ILE A 35 4.874 -0.318 6.380 1.00 54.43 C ATOM 518 CG2 ILE A 35 5.129 -2.018 8.212 1.00 42.22 C ATOM 519 CD1 ILE A 35 6.061 0.520 6.805 1.00 71.14 C ATOM 0 H ILE A 35 2.233 0.149 6.481 1.00 22.35 H new ATOM 0 HA ILE A 35 3.208 -2.491 6.290 1.00 72.21 H new ATOM 0 HB ILE A 35 3.878 -0.289 8.280 1.00 14.22 H new ATOM 0 HG12 ILE A 35 5.206 -1.061 5.655 1.00 54.43 H new ATOM 0 HG13 ILE A 35 4.152 0.322 5.873 1.00 54.43 H new ATOM 0 HG21 ILE A 35 6.016 -1.488 8.558 1.00 42.22 H new ATOM 0 HG22 ILE A 35 4.631 -2.485 9.061 1.00 42.22 H new ATOM 0 HG23 ILE A 35 5.422 -2.786 7.496 1.00 42.22 H new ATOM 0 HD11 ILE A 35 6.503 0.995 5.929 1.00 71.14 H new ATOM 0 HD12 ILE A 35 5.733 1.287 7.507 1.00 71.14 H new ATOM 0 HD13 ILE A 35 6.803 -0.118 7.285 1.00 71.14 H new ATOM 531 N GLU A 36 1.432 -1.708 8.962 1.00 22.32 N ATOM 532 CA GLU A 36 0.654 -2.249 10.057 1.00 52.43 C ATOM 533 C GLU A 36 -0.321 -3.314 9.561 1.00 15.34 C ATOM 534 O GLU A 36 -0.433 -4.391 10.148 1.00 45.54 O ATOM 535 CB GLU A 36 -0.093 -1.112 10.751 1.00 4.14 C ATOM 536 CG GLU A 36 0.759 -0.313 11.726 1.00 23.34 C ATOM 537 CD GLU A 36 1.269 -1.150 12.882 1.00 35.20 C ATOM 538 OE1 GLU A 36 0.469 -1.463 13.794 1.00 0.14 O ATOM 539 OE2 GLU A 36 2.471 -1.494 12.893 1.00 52.33 O ATOM 0 H GLU A 36 1.318 -0.703 8.827 1.00 22.32 H new ATOM 0 HA GLU A 36 1.326 -2.727 10.770 1.00 52.43 H new ATOM 0 HB2 GLU A 36 -0.489 -0.436 9.993 1.00 4.14 H new ATOM 0 HB3 GLU A 36 -0.947 -1.526 11.287 1.00 4.14 H new ATOM 0 HG2 GLU A 36 1.607 0.117 11.193 1.00 23.34 H new ATOM 0 HG3 GLU A 36 0.173 0.519 12.116 1.00 23.34 H new ATOM 546 N LEU A 37 -1.006 -3.014 8.467 1.00 10.53 N ATOM 547 CA LEU A 37 -1.934 -3.956 7.862 1.00 25.12 C ATOM 548 C LEU A 37 -1.172 -5.170 7.329 1.00 51.11 C ATOM 549 O LEU A 37 -1.668 -6.297 7.373 1.00 42.05 O ATOM 550 CB LEU A 37 -2.708 -3.269 6.730 1.00 11.42 C ATOM 551 CG LEU A 37 -4.189 -3.643 6.612 1.00 44.02 C ATOM 552 CD1 LEU A 37 -4.861 -2.809 5.534 1.00 14.31 C ATOM 553 CD2 LEU A 37 -4.363 -5.123 6.314 1.00 1.43 C ATOM 0 H LEU A 37 -0.935 -2.121 7.979 1.00 10.53 H new ATOM 0 HA LEU A 37 -2.644 -4.295 8.616 1.00 25.12 H new ATOM 0 HB2 LEU A 37 -2.635 -2.190 6.868 1.00 11.42 H new ATOM 0 HB3 LEU A 37 -2.217 -3.503 5.785 1.00 11.42 H new ATOM 0 HG LEU A 37 -4.663 -3.434 7.571 1.00 44.02 H new ATOM 0 HD11 LEU A 37 -5.913 -3.086 5.462 1.00 14.31 H new ATOM 0 HD12 LEU A 37 -4.781 -1.752 5.789 1.00 14.31 H new ATOM 0 HD13 LEU A 37 -4.372 -2.989 4.577 1.00 14.31 H new ATOM 0 HD21 LEU A 37 -5.425 -5.356 6.236 1.00 1.43 H new ATOM 0 HD22 LEU A 37 -3.869 -5.365 5.373 1.00 1.43 H new ATOM 0 HD23 LEU A 37 -3.920 -5.711 7.118 1.00 1.43 H new ATOM 565 N ALA A 38 0.045 -4.936 6.857 1.00 33.04 N ATOM 566 CA ALA A 38 0.865 -6.005 6.304 1.00 32.33 C ATOM 567 C ALA A 38 1.269 -6.977 7.402 1.00 52.32 C ATOM 568 O ALA A 38 1.172 -8.191 7.234 1.00 72.52 O ATOM 569 CB ALA A 38 2.097 -5.437 5.611 1.00 13.11 C ATOM 0 H ALA A 38 0.486 -4.016 6.846 1.00 33.04 H new ATOM 0 HA ALA A 38 0.277 -6.543 5.560 1.00 32.33 H new ATOM 0 HB1 ALA A 38 2.695 -6.253 5.205 1.00 13.11 H new ATOM 0 HB2 ALA A 38 1.787 -4.777 4.801 1.00 13.11 H new ATOM 0 HB3 ALA A 38 2.692 -4.874 6.330 1.00 13.11 H new ATOM 575 N LYS A 39 1.695 -6.427 8.533 1.00 32.22 N ATOM 576 CA LYS A 39 2.067 -7.225 9.693 1.00 13.24 C ATOM 577 C LYS A 39 0.857 -7.967 10.249 1.00 52.45 C ATOM 578 O LYS A 39 0.983 -9.055 10.808 1.00 11.35 O ATOM 579 CB LYS A 39 2.657 -6.329 10.775 1.00 63.34 C ATOM 580 CG LYS A 39 3.988 -5.711 10.395 1.00 51.43 C ATOM 581 CD LYS A 39 4.459 -4.735 11.457 1.00 1.22 C ATOM 582 CE LYS A 39 5.824 -4.162 11.125 1.00 53.43 C ATOM 583 NZ LYS A 39 6.887 -5.199 11.140 1.00 74.43 N ATOM 0 H LYS A 39 1.792 -5.421 8.671 1.00 32.22 H new ATOM 0 HA LYS A 39 2.812 -7.956 9.380 1.00 13.24 H new ATOM 0 HB2 LYS A 39 1.948 -5.533 11.001 1.00 63.34 H new ATOM 0 HB3 LYS A 39 2.784 -6.912 11.687 1.00 63.34 H new ATOM 0 HG2 LYS A 39 4.732 -6.496 10.262 1.00 51.43 H new ATOM 0 HG3 LYS A 39 3.894 -5.196 9.439 1.00 51.43 H new ATOM 0 HD2 LYS A 39 3.737 -3.924 11.552 1.00 1.22 H new ATOM 0 HD3 LYS A 39 4.501 -5.239 12.422 1.00 1.22 H new ATOM 0 HE2 LYS A 39 5.790 -3.693 10.141 1.00 53.43 H new ATOM 0 HE3 LYS A 39 6.072 -3.380 11.842 1.00 53.43 H new ATOM 0 HZ1 LYS A 39 7.820 -4.740 11.128 1.00 74.43 H new ATOM 0 HZ2 LYS A 39 6.796 -5.777 12.000 1.00 74.43 H new ATOM 0 HZ3 LYS A 39 6.790 -5.808 10.302 1.00 74.43 H new ATOM 597 N SER A 40 -0.312 -7.359 10.092 1.00 23.10 N ATOM 598 CA SER A 40 -1.561 -7.952 10.542 1.00 3.20 C ATOM 599 C SER A 40 -1.878 -9.219 9.742 1.00 24.32 C ATOM 600 O SER A 40 -2.505 -10.148 10.253 1.00 22.21 O ATOM 601 CB SER A 40 -2.698 -6.932 10.399 1.00 43.42 C ATOM 602 OG SER A 40 -3.921 -7.435 10.911 1.00 32.21 O ATOM 0 H SER A 40 -0.419 -6.445 9.651 1.00 23.10 H new ATOM 0 HA SER A 40 -1.460 -8.230 11.591 1.00 3.20 H new ATOM 0 HB2 SER A 40 -2.433 -6.015 10.925 1.00 43.42 H new ATOM 0 HB3 SER A 40 -2.823 -6.671 9.348 1.00 43.42 H new ATOM 0 HG SER A 40 -4.623 -6.759 10.805 1.00 32.21 H new ATOM 608 N VAL A 41 -1.440 -9.249 8.488 1.00 2.45 N ATOM 609 CA VAL A 41 -1.694 -10.388 7.617 1.00 32.55 C ATOM 610 C VAL A 41 -0.532 -11.374 7.653 1.00 53.45 C ATOM 611 O VAL A 41 -0.734 -12.581 7.786 1.00 4.31 O ATOM 612 CB VAL A 41 -1.937 -9.944 6.156 1.00 15.25 C ATOM 613 CG1 VAL A 41 -2.256 -11.142 5.278 1.00 10.12 C ATOM 614 CG2 VAL A 41 -3.058 -8.917 6.080 1.00 61.15 C ATOM 0 H VAL A 41 -0.907 -8.496 8.053 1.00 2.45 H new ATOM 0 HA VAL A 41 -2.594 -10.876 7.990 1.00 32.55 H new ATOM 0 HB VAL A 41 -1.022 -9.479 5.789 1.00 15.25 H new ATOM 0 HG11 VAL A 41 -2.424 -10.808 4.254 1.00 10.12 H new ATOM 0 HG12 VAL A 41 -1.420 -11.842 5.299 1.00 10.12 H new ATOM 0 HG13 VAL A 41 -3.153 -11.637 5.650 1.00 10.12 H new ATOM 0 HG21 VAL A 41 -3.210 -8.620 5.042 1.00 61.15 H new ATOM 0 HG22 VAL A 41 -3.977 -9.352 6.471 1.00 61.15 H new ATOM 0 HG23 VAL A 41 -2.790 -8.042 6.672 1.00 61.15 H new ATOM 624 N CYS A 42 0.681 -10.853 7.557 1.00 62.30 N ATOM 625 CA CYS A 42 1.868 -11.682 7.464 1.00 41.22 C ATOM 626 C CYS A 42 2.945 -11.163 8.404 1.00 40.44 C ATOM 627 O CYS A 42 3.325 -9.994 8.348 1.00 73.05 O ATOM 628 CB CYS A 42 2.380 -11.691 6.020 1.00 21.12 C ATOM 629 SG CYS A 42 3.777 -12.798 5.716 1.00 75.43 S ATOM 0 H CYS A 42 0.868 -9.850 7.542 1.00 62.30 H new ATOM 0 HA CYS A 42 1.616 -12.701 7.757 1.00 41.22 H new ATOM 0 HB2 CYS A 42 1.560 -11.975 5.361 1.00 21.12 H new ATOM 0 HB3 CYS A 42 2.672 -10.677 5.747 1.00 21.12 H new ATOM 0 HG CYS A 42 3.350 -13.894 5.163 1.00 75.43 H new ATOM 635 N ALA A 43 3.436 -12.040 9.262 1.00 35.33 N ATOM 636 CA ALA A 43 4.466 -11.677 10.224 1.00 23.03 C ATOM 637 C ALA A 43 5.853 -11.762 9.595 1.00 5.21 C ATOM 638 O ALA A 43 6.847 -11.364 10.202 1.00 52.12 O ATOM 639 CB ALA A 43 4.384 -12.572 11.451 1.00 55.32 C ATOM 0 H ALA A 43 3.137 -13.014 9.313 1.00 35.33 H new ATOM 0 HA ALA A 43 4.296 -10.645 10.532 1.00 23.03 H new ATOM 0 HB1 ALA A 43 5.161 -12.288 12.161 1.00 55.32 H new ATOM 0 HB2 ALA A 43 3.406 -12.459 11.919 1.00 55.32 H new ATOM 0 HB3 ALA A 43 4.526 -13.611 11.154 1.00 55.32 H new ATOM 645 N GLY A 44 5.915 -12.283 8.377 1.00 14.40 N ATOM 646 CA GLY A 44 7.183 -12.399 7.686 1.00 41.23 C ATOM 647 C GLY A 44 7.209 -11.594 6.402 1.00 10.44 C ATOM 648 O GLY A 44 7.821 -12.003 5.416 1.00 12.00 O ATOM 0 H GLY A 44 5.109 -12.627 7.855 1.00 14.40 H new ATOM 0 HA2 GLY A 44 7.985 -12.060 8.342 1.00 41.23 H new ATOM 0 HA3 GLY A 44 7.377 -13.447 7.460 1.00 41.23 H new ATOM 652 N VAL A 45 6.540 -10.451 6.414 1.00 61.32 N ATOM 653 CA VAL A 45 6.473 -9.596 5.239 1.00 42.54 C ATOM 654 C VAL A 45 7.680 -8.656 5.165 1.00 35.01 C ATOM 655 O VAL A 45 7.977 -7.921 6.111 1.00 3.02 O ATOM 656 CB VAL A 45 5.153 -8.782 5.209 1.00 43.52 C ATOM 657 CG1 VAL A 45 4.998 -7.927 6.458 1.00 41.34 C ATOM 658 CG2 VAL A 45 5.072 -7.923 3.953 1.00 0.05 C ATOM 0 H VAL A 45 6.035 -10.094 7.225 1.00 61.32 H new ATOM 0 HA VAL A 45 6.493 -10.247 4.365 1.00 42.54 H new ATOM 0 HB VAL A 45 4.328 -9.494 5.190 1.00 43.52 H new ATOM 0 HG11 VAL A 45 4.063 -7.370 6.404 1.00 41.34 H new ATOM 0 HG12 VAL A 45 4.988 -8.569 7.339 1.00 41.34 H new ATOM 0 HG13 VAL A 45 5.832 -7.229 6.527 1.00 41.34 H new ATOM 0 HG21 VAL A 45 4.137 -7.362 3.956 1.00 0.05 H new ATOM 0 HG22 VAL A 45 5.912 -7.229 3.932 1.00 0.05 H new ATOM 0 HG23 VAL A 45 5.109 -8.563 3.071 1.00 0.05 H new ATOM 668 N GLU A 46 8.383 -8.716 4.042 1.00 62.24 N ATOM 669 CA GLU A 46 9.524 -7.845 3.783 1.00 63.52 C ATOM 670 C GLU A 46 9.159 -6.851 2.691 1.00 71.55 C ATOM 671 O GLU A 46 8.333 -7.159 1.829 1.00 44.12 O ATOM 672 CB GLU A 46 10.738 -8.669 3.344 1.00 4.30 C ATOM 673 CG GLU A 46 11.325 -9.546 4.435 1.00 24.34 C ATOM 674 CD GLU A 46 12.065 -8.751 5.490 1.00 45.23 C ATOM 675 OE1 GLU A 46 13.158 -8.229 5.183 1.00 62.44 O ATOM 676 OE2 GLU A 46 11.575 -8.662 6.630 1.00 71.31 O ATOM 0 H GLU A 46 8.180 -9.369 3.285 1.00 62.24 H new ATOM 0 HA GLU A 46 9.778 -7.312 4.699 1.00 63.52 H new ATOM 0 HB2 GLU A 46 10.450 -9.300 2.503 1.00 4.30 H new ATOM 0 HB3 GLU A 46 11.512 -7.991 2.983 1.00 4.30 H new ATOM 0 HG2 GLU A 46 10.524 -10.114 4.909 1.00 24.34 H new ATOM 0 HG3 GLU A 46 12.006 -10.269 3.987 1.00 24.34 H new ATOM 683 N TYR A 47 9.765 -5.673 2.706 1.00 22.10 N ATOM 684 CA TYR A 47 9.403 -4.661 1.731 1.00 25.24 C ATOM 685 C TYR A 47 10.588 -3.830 1.265 1.00 33.13 C ATOM 686 O TYR A 47 11.565 -3.632 1.989 1.00 0.55 O ATOM 687 CB TYR A 47 8.311 -3.737 2.282 1.00 23.44 C ATOM 688 CG TYR A 47 8.680 -3.014 3.562 1.00 65.34 C ATOM 689 CD1 TYR A 47 9.326 -1.783 3.524 1.00 14.24 C ATOM 690 CD2 TYR A 47 8.380 -3.556 4.808 1.00 70.54 C ATOM 691 CE1 TYR A 47 9.664 -1.116 4.685 1.00 63.15 C ATOM 692 CE2 TYR A 47 8.716 -2.892 5.976 1.00 63.43 C ATOM 693 CZ TYR A 47 9.358 -1.674 5.908 1.00 44.41 C ATOM 694 OH TYR A 47 9.693 -1.006 7.069 1.00 25.01 O ATOM 0 H TYR A 47 10.493 -5.400 3.367 1.00 22.10 H new ATOM 0 HA TYR A 47 9.024 -5.202 0.864 1.00 25.24 H new ATOM 0 HB2 TYR A 47 8.062 -2.997 1.521 1.00 23.44 H new ATOM 0 HB3 TYR A 47 7.411 -4.326 2.460 1.00 23.44 H new ATOM 0 HD1 TYR A 47 9.568 -1.341 2.569 1.00 14.24 H new ATOM 0 HD2 TYR A 47 7.877 -4.510 4.865 1.00 70.54 H new ATOM 0 HE1 TYR A 47 10.166 -0.161 4.635 1.00 63.15 H new ATOM 0 HE2 TYR A 47 8.476 -3.326 6.935 1.00 63.43 H new ATOM 0 HH TYR A 47 9.407 -1.533 7.844 1.00 25.01 H new ATOM 704 N ASN A 48 10.475 -3.361 0.033 1.00 72.04 N ATOM 705 CA ASN A 48 11.384 -2.371 -0.526 1.00 53.44 C ATOM 706 C ASN A 48 10.585 -1.111 -0.794 1.00 51.44 C ATOM 707 O ASN A 48 9.359 -1.138 -0.744 1.00 64.44 O ATOM 708 CB ASN A 48 12.026 -2.834 -1.842 1.00 11.42 C ATOM 709 CG ASN A 48 12.828 -4.118 -1.726 1.00 71.42 C ATOM 710 OD1 ASN A 48 12.918 -4.884 -2.682 1.00 61.43 O ATOM 711 ND2 ASN A 48 13.422 -4.354 -0.567 1.00 2.43 N ATOM 0 H ASN A 48 9.744 -3.659 -0.613 1.00 72.04 H new ATOM 0 HA ASN A 48 12.191 -2.206 0.188 1.00 53.44 H new ATOM 0 HB2 ASN A 48 11.242 -2.975 -2.586 1.00 11.42 H new ATOM 0 HB3 ASN A 48 12.679 -2.044 -2.213 1.00 11.42 H new ATOM 0 HD21 ASN A 48 13.980 -5.199 -0.443 1.00 2.43 H new ATOM 0 HD22 ASN A 48 13.321 -3.691 0.202 1.00 2.43 H new ATOM 718 N VAL A 49 11.259 -0.020 -1.089 1.00 12.50 N ATOM 719 CA VAL A 49 10.570 1.235 -1.326 1.00 31.22 C ATOM 720 C VAL A 49 11.440 2.183 -2.144 1.00 34.32 C ATOM 721 O VAL A 49 12.669 2.156 -2.044 1.00 53.41 O ATOM 722 CB VAL A 49 10.159 1.902 0.011 1.00 35.11 C ATOM 723 CG1 VAL A 49 11.380 2.342 0.807 1.00 42.53 C ATOM 724 CG2 VAL A 49 9.216 3.072 -0.226 1.00 62.41 C ATOM 0 H VAL A 49 12.275 0.026 -1.171 1.00 12.50 H new ATOM 0 HA VAL A 49 9.665 1.018 -1.894 1.00 31.22 H new ATOM 0 HB VAL A 49 9.627 1.155 0.601 1.00 35.11 H new ATOM 0 HG11 VAL A 49 11.059 2.806 1.739 1.00 42.53 H new ATOM 0 HG12 VAL A 49 12.002 1.475 1.029 1.00 42.53 H new ATOM 0 HG13 VAL A 49 11.955 3.061 0.223 1.00 42.53 H new ATOM 0 HG21 VAL A 49 8.945 3.520 0.730 1.00 62.41 H new ATOM 0 HG22 VAL A 49 9.710 3.817 -0.849 1.00 62.41 H new ATOM 0 HG23 VAL A 49 8.316 2.718 -0.729 1.00 62.41 H new ATOM 734 N SER A 50 10.797 2.981 -2.983 1.00 21.22 N ATOM 735 CA SER A 50 11.480 4.015 -3.739 1.00 33.40 C ATOM 736 C SER A 50 11.953 5.116 -2.793 1.00 13.22 C ATOM 737 O SER A 50 11.547 5.158 -1.630 1.00 1.05 O ATOM 738 CB SER A 50 10.531 4.606 -4.780 1.00 32.22 C ATOM 739 OG SER A 50 9.704 3.602 -5.344 1.00 65.22 O ATOM 0 H SER A 50 9.793 2.929 -3.157 1.00 21.22 H new ATOM 0 HA SER A 50 12.342 3.579 -4.245 1.00 33.40 H new ATOM 0 HB2 SER A 50 9.912 5.374 -4.317 1.00 32.22 H new ATOM 0 HB3 SER A 50 11.107 5.092 -5.567 1.00 32.22 H new ATOM 0 HG SER A 50 10.230 2.787 -5.487 1.00 65.22 H new ATOM 745 N GLU A 51 12.796 6.008 -3.282 1.00 61.44 N ATOM 746 CA GLU A 51 13.252 7.119 -2.470 1.00 23.21 C ATOM 747 C GLU A 51 12.241 8.257 -2.533 1.00 34.41 C ATOM 748 O GLU A 51 11.755 8.615 -3.608 1.00 65.24 O ATOM 749 CB GLU A 51 14.641 7.592 -2.905 1.00 62.11 C ATOM 750 CG GLU A 51 14.739 7.973 -4.369 1.00 15.23 C ATOM 751 CD GLU A 51 16.104 8.515 -4.726 1.00 14.35 C ATOM 752 OE1 GLU A 51 16.330 9.731 -4.538 1.00 40.30 O ATOM 753 OE2 GLU A 51 16.963 7.730 -5.178 1.00 33.44 O ATOM 0 H GLU A 51 13.175 5.985 -4.229 1.00 61.44 H new ATOM 0 HA GLU A 51 13.334 6.781 -1.437 1.00 23.21 H new ATOM 0 HB2 GLU A 51 14.926 8.451 -2.298 1.00 62.11 H new ATOM 0 HB3 GLU A 51 15.363 6.802 -2.698 1.00 62.11 H new ATOM 0 HG2 GLU A 51 14.524 7.100 -4.985 1.00 15.23 H new ATOM 0 HG3 GLU A 51 13.981 8.721 -4.600 1.00 15.23 H new ATOM 760 N LEU A 52 11.913 8.803 -1.377 1.00 15.25 N ATOM 761 CA LEU A 52 10.915 9.851 -1.288 1.00 71.50 C ATOM 762 C LEU A 52 11.544 11.216 -1.520 1.00 43.12 C ATOM 763 O LEU A 52 12.753 11.396 -1.350 1.00 53.55 O ATOM 764 CB LEU A 52 10.223 9.824 0.083 1.00 54.20 C ATOM 765 CG LEU A 52 9.307 8.621 0.348 1.00 73.24 C ATOM 766 CD1 LEU A 52 10.113 7.360 0.617 1.00 62.24 C ATOM 767 CD2 LEU A 52 8.372 8.912 1.512 1.00 64.43 C ATOM 0 H LEU A 52 12.326 8.536 -0.483 1.00 15.25 H new ATOM 0 HA LEU A 52 10.171 9.671 -2.064 1.00 71.50 H new ATOM 0 HB2 LEU A 52 10.991 9.849 0.856 1.00 54.20 H new ATOM 0 HB3 LEU A 52 9.634 10.735 0.189 1.00 54.20 H new ATOM 0 HG LEU A 52 8.710 8.451 -0.548 1.00 73.24 H new ATOM 0 HD11 LEU A 52 9.435 6.527 0.801 1.00 62.24 H new ATOM 0 HD12 LEU A 52 10.737 7.136 -0.248 1.00 62.24 H new ATOM 0 HD13 LEU A 52 10.746 7.512 1.491 1.00 62.24 H new ATOM 0 HD21 LEU A 52 7.729 8.049 1.687 1.00 64.43 H new ATOM 0 HD22 LEU A 52 8.959 9.115 2.408 1.00 64.43 H new ATOM 0 HD23 LEU A 52 7.757 9.781 1.276 1.00 64.43 H new ATOM 779 N THR A 53 10.719 12.168 -1.924 1.00 64.41 N ATOM 780 CA THR A 53 11.155 13.539 -2.103 1.00 20.22 C ATOM 781 C THR A 53 10.154 14.485 -1.449 1.00 31.12 C ATOM 782 O THR A 53 9.236 14.047 -0.755 1.00 41.22 O ATOM 783 CB THR A 53 11.313 13.900 -3.598 1.00 4.33 C ATOM 784 OG1 THR A 53 10.094 13.645 -4.306 1.00 3.11 O ATOM 785 CG2 THR A 53 12.443 13.107 -4.241 1.00 62.22 C ATOM 0 H THR A 53 9.734 12.011 -2.136 1.00 64.41 H new ATOM 0 HA THR A 53 12.131 13.644 -1.630 1.00 20.22 H new ATOM 0 HB THR A 53 11.553 14.962 -3.656 1.00 4.33 H new ATOM 0 HG1 THR A 53 10.209 13.880 -5.250 1.00 3.11 H new ATOM 0 HG21 THR A 53 12.529 13.383 -5.292 1.00 62.22 H new ATOM 0 HG22 THR A 53 13.380 13.329 -3.730 1.00 62.22 H new ATOM 0 HG23 THR A 53 12.230 12.041 -4.162 1.00 62.22 H new ATOM 793 N GLU A 54 10.331 15.773 -1.671 1.00 34.04 N ATOM 794 CA GLU A 54 9.432 16.773 -1.123 1.00 34.11 C ATOM 795 C GLU A 54 8.210 16.915 -2.020 1.00 33.22 C ATOM 796 O GLU A 54 7.112 17.253 -1.571 1.00 14.01 O ATOM 797 CB GLU A 54 10.169 18.104 -1.026 1.00 42.54 C ATOM 798 CG GLU A 54 9.390 19.209 -0.342 1.00 14.32 C ATOM 799 CD GLU A 54 10.185 20.491 -0.266 1.00 1.24 C ATOM 800 OE1 GLU A 54 10.193 21.250 -1.261 1.00 71.13 O ATOM 801 OE2 GLU A 54 10.821 20.733 0.779 1.00 60.34 O ATOM 0 H GLU A 54 11.094 16.154 -2.231 1.00 34.04 H new ATOM 0 HA GLU A 54 9.102 16.468 -0.130 1.00 34.11 H new ATOM 0 HB2 GLU A 54 11.103 17.948 -0.486 1.00 42.54 H new ATOM 0 HB3 GLU A 54 10.433 18.432 -2.031 1.00 42.54 H new ATOM 0 HG2 GLU A 54 8.462 19.389 -0.884 1.00 14.32 H new ATOM 0 HG3 GLU A 54 9.115 18.891 0.664 1.00 14.32 H new ATOM 808 N GLU A 55 8.417 16.631 -3.292 1.00 13.11 N ATOM 809 CA GLU A 55 7.387 16.815 -4.303 1.00 31.14 C ATOM 810 C GLU A 55 6.649 15.515 -4.610 1.00 4.42 C ATOM 811 O GLU A 55 5.693 15.509 -5.386 1.00 41.41 O ATOM 812 CB GLU A 55 8.032 17.369 -5.569 1.00 74.11 C ATOM 813 CG GLU A 55 9.128 16.475 -6.123 1.00 64.21 C ATOM 814 CD GLU A 55 10.127 17.237 -6.960 1.00 73.45 C ATOM 815 OE1 GLU A 55 9.887 17.417 -8.166 1.00 54.41 O ATOM 816 OE2 GLU A 55 11.158 17.669 -6.405 1.00 52.40 O ATOM 0 H GLU A 55 9.298 16.268 -3.655 1.00 13.11 H new ATOM 0 HA GLU A 55 6.648 17.518 -3.919 1.00 31.14 H new ATOM 0 HB2 GLU A 55 7.264 17.506 -6.330 1.00 74.11 H new ATOM 0 HB3 GLU A 55 8.448 18.354 -5.356 1.00 74.11 H new ATOM 0 HG2 GLU A 55 9.647 15.988 -5.298 1.00 64.21 H new ATOM 0 HG3 GLU A 55 8.679 15.687 -6.727 1.00 64.21 H new ATOM 823 N SER A 56 7.087 14.419 -4.005 1.00 0.20 N ATOM 824 CA SER A 56 6.470 13.127 -4.250 1.00 61.15 C ATOM 825 C SER A 56 5.139 13.002 -3.522 1.00 0.33 C ATOM 826 O SER A 56 5.083 13.040 -2.292 1.00 24.13 O ATOM 827 CB SER A 56 7.410 12.001 -3.820 1.00 33.44 C ATOM 828 OG SER A 56 7.848 12.180 -2.484 1.00 1.34 O ATOM 0 H SER A 56 7.864 14.401 -3.344 1.00 0.20 H new ATOM 0 HA SER A 56 6.279 13.046 -5.320 1.00 61.15 H new ATOM 0 HB2 SER A 56 6.899 11.042 -3.913 1.00 33.44 H new ATOM 0 HB3 SER A 56 8.272 11.969 -4.487 1.00 33.44 H new ATOM 0 HG SER A 56 7.104 12.510 -1.937 1.00 1.34 H new ATOM 834 N LYS A 57 4.070 12.879 -4.294 1.00 53.44 N ATOM 835 CA LYS A 57 2.746 12.608 -3.755 1.00 24.13 C ATOM 836 C LYS A 57 2.453 11.118 -3.849 1.00 41.52 C ATOM 837 O LYS A 57 1.326 10.671 -3.622 1.00 33.24 O ATOM 838 CB LYS A 57 1.690 13.402 -4.524 1.00 24.23 C ATOM 839 CG LYS A 57 1.770 14.900 -4.297 1.00 4.41 C ATOM 840 CD LYS A 57 0.772 15.645 -5.164 1.00 0.32 C ATOM 841 CE LYS A 57 0.713 17.115 -4.800 1.00 33.11 C ATOM 842 NZ LYS A 57 0.164 17.326 -3.436 1.00 43.31 N ATOM 0 H LYS A 57 4.096 12.964 -5.310 1.00 53.44 H new ATOM 0 HA LYS A 57 2.716 12.914 -2.709 1.00 24.13 H new ATOM 0 HB2 LYS A 57 1.799 13.198 -5.589 1.00 24.23 H new ATOM 0 HB3 LYS A 57 0.700 13.051 -4.232 1.00 24.23 H new ATOM 0 HG2 LYS A 57 1.579 15.121 -3.247 1.00 4.41 H new ATOM 0 HG3 LYS A 57 2.778 15.250 -4.518 1.00 4.41 H new ATOM 0 HD2 LYS A 57 1.049 15.539 -6.213 1.00 0.32 H new ATOM 0 HD3 LYS A 57 -0.216 15.200 -5.048 1.00 0.32 H new ATOM 0 HE2 LYS A 57 1.713 17.544 -4.859 1.00 33.11 H new ATOM 0 HE3 LYS A 57 0.096 17.644 -5.526 1.00 33.11 H new ATOM 0 HZ1 LYS A 57 0.061 18.345 -3.257 1.00 43.31 H new ATOM 0 HZ2 LYS A 57 -0.765 16.865 -3.361 1.00 43.31 H new ATOM 0 HZ3 LYS A 57 0.812 16.915 -2.734 1.00 43.31 H new ATOM 856 N GLU A 58 3.481 10.355 -4.186 1.00 61.34 N ATOM 857 CA GLU A 58 3.353 8.920 -4.361 1.00 73.12 C ATOM 858 C GLU A 58 4.662 8.226 -4.016 1.00 32.21 C ATOM 859 O GLU A 58 5.731 8.828 -4.098 1.00 54.10 O ATOM 860 CB GLU A 58 2.965 8.603 -5.807 1.00 43.40 C ATOM 861 CG GLU A 58 3.963 9.129 -6.830 1.00 51.43 C ATOM 862 CD GLU A 58 3.536 8.861 -8.255 1.00 15.43 C ATOM 863 OE1 GLU A 58 3.819 7.762 -8.768 1.00 64.52 O ATOM 864 OE2 GLU A 58 2.918 9.756 -8.870 1.00 34.14 O ATOM 0 H GLU A 58 4.423 10.713 -4.345 1.00 61.34 H new ATOM 0 HA GLU A 58 2.574 8.555 -3.691 1.00 73.12 H new ATOM 0 HB2 GLU A 58 2.873 7.523 -5.922 1.00 43.40 H new ATOM 0 HB3 GLU A 58 1.984 9.031 -6.014 1.00 43.40 H new ATOM 0 HG2 GLU A 58 4.089 10.202 -6.689 1.00 51.43 H new ATOM 0 HG3 GLU A 58 4.935 8.668 -6.654 1.00 51.43 H new ATOM 871 N LEU A 59 4.567 6.967 -3.617 1.00 22.42 N ATOM 872 CA LEU A 59 5.745 6.149 -3.380 1.00 0.24 C ATOM 873 C LEU A 59 5.417 4.692 -3.650 1.00 61.34 C ATOM 874 O LEU A 59 4.316 4.231 -3.342 1.00 50.14 O ATOM 875 CB LEU A 59 6.286 6.308 -1.947 1.00 11.01 C ATOM 876 CG LEU A 59 5.429 5.711 -0.818 1.00 24.43 C ATOM 877 CD1 LEU A 59 6.226 5.667 0.474 1.00 12.41 C ATOM 878 CD2 LEU A 59 4.157 6.515 -0.603 1.00 14.44 C ATOM 0 H LEU A 59 3.682 6.488 -3.450 1.00 22.42 H new ATOM 0 HA LEU A 59 6.525 6.489 -4.061 1.00 0.24 H new ATOM 0 HB2 LEU A 59 7.274 5.850 -1.903 1.00 11.01 H new ATOM 0 HB3 LEU A 59 6.418 7.372 -1.749 1.00 11.01 H new ATOM 0 HG LEU A 59 5.150 4.699 -1.112 1.00 24.43 H new ATOM 0 HD11 LEU A 59 5.610 5.243 1.267 1.00 12.41 H new ATOM 0 HD12 LEU A 59 7.113 5.049 0.333 1.00 12.41 H new ATOM 0 HD13 LEU A 59 6.528 6.677 0.750 1.00 12.41 H new ATOM 0 HD21 LEU A 59 3.574 6.066 0.202 1.00 14.44 H new ATOM 0 HD22 LEU A 59 4.415 7.540 -0.336 1.00 14.44 H new ATOM 0 HD23 LEU A 59 3.568 6.516 -1.520 1.00 14.44 H new ATOM 890 N THR A 60 6.364 3.979 -4.232 1.00 54.23 N ATOM 891 CA THR A 60 6.162 2.583 -4.582 1.00 71.45 C ATOM 892 C THR A 60 6.891 1.674 -3.599 1.00 1.13 C ATOM 893 O THR A 60 8.109 1.760 -3.436 1.00 73.14 O ATOM 894 CB THR A 60 6.653 2.291 -6.013 1.00 43.44 C ATOM 895 OG1 THR A 60 6.085 3.239 -6.929 1.00 31.54 O ATOM 896 CG2 THR A 60 6.275 0.878 -6.441 1.00 45.15 C ATOM 0 H THR A 60 7.285 4.345 -4.474 1.00 54.23 H new ATOM 0 HA THR A 60 5.092 2.383 -4.533 1.00 71.45 H new ATOM 0 HB THR A 60 7.739 2.378 -6.024 1.00 43.44 H new ATOM 0 HG1 THR A 60 6.403 3.048 -7.836 1.00 31.54 H new ATOM 0 HG21 THR A 60 6.633 0.697 -7.455 1.00 45.15 H new ATOM 0 HG22 THR A 60 6.730 0.158 -5.761 1.00 45.15 H new ATOM 0 HG23 THR A 60 5.191 0.767 -6.414 1.00 45.15 H new ATOM 904 N ALA A 61 6.136 0.817 -2.937 1.00 64.34 N ATOM 905 CA ALA A 61 6.703 -0.125 -1.996 1.00 72.04 C ATOM 906 C ALA A 61 6.500 -1.552 -2.484 1.00 5.32 C ATOM 907 O ALA A 61 5.384 -1.954 -2.817 1.00 50.14 O ATOM 908 CB ALA A 61 6.088 0.067 -0.619 1.00 62.25 C ATOM 0 H ALA A 61 5.123 0.756 -3.036 1.00 64.34 H new ATOM 0 HA ALA A 61 7.775 0.060 -1.921 1.00 72.04 H new ATOM 0 HB1 ALA A 61 6.525 -0.649 0.078 1.00 62.25 H new ATOM 0 HB2 ALA A 61 6.286 1.080 -0.270 1.00 62.25 H new ATOM 0 HB3 ALA A 61 5.011 -0.093 -0.676 1.00 62.25 H new ATOM 914 N ARG A 62 7.587 -2.302 -2.544 1.00 52.30 N ATOM 915 CA ARG A 62 7.544 -3.689 -2.977 1.00 50.25 C ATOM 916 C ARG A 62 7.393 -4.592 -1.762 1.00 24.33 C ATOM 917 O ARG A 62 8.287 -4.661 -0.930 1.00 23.01 O ATOM 918 CB ARG A 62 8.836 -4.033 -3.731 1.00 35.22 C ATOM 919 CG ARG A 62 8.920 -5.478 -4.206 1.00 53.22 C ATOM 920 CD ARG A 62 7.993 -5.742 -5.383 1.00 3.31 C ATOM 921 NE ARG A 62 8.351 -4.943 -6.555 1.00 53.50 N ATOM 922 CZ ARG A 62 7.599 -4.862 -7.654 1.00 72.42 C ATOM 923 NH1 ARG A 62 6.485 -5.575 -7.754 1.00 1.52 N ATOM 924 NH2 ARG A 62 7.962 -4.072 -8.655 1.00 15.51 N ATOM 0 H ARG A 62 8.519 -1.970 -2.296 1.00 52.30 H new ATOM 0 HA ARG A 62 6.694 -3.839 -3.643 1.00 50.25 H new ATOM 0 HB2 ARG A 62 8.925 -3.374 -4.594 1.00 35.22 H new ATOM 0 HB3 ARG A 62 9.687 -3.826 -3.082 1.00 35.22 H new ATOM 0 HG2 ARG A 62 9.946 -5.707 -4.493 1.00 53.22 H new ATOM 0 HG3 ARG A 62 8.663 -6.146 -3.384 1.00 53.22 H new ATOM 0 HD2 ARG A 62 8.028 -6.800 -5.642 1.00 3.31 H new ATOM 0 HD3 ARG A 62 6.966 -5.519 -5.093 1.00 3.31 H new ATOM 0 HE ARG A 62 9.225 -4.418 -6.531 1.00 53.50 H new ATOM 0 HH11 ARG A 62 6.201 -6.187 -6.989 1.00 1.52 H new ATOM 0 HH12 ARG A 62 5.912 -5.511 -8.596 1.00 1.52 H new ATOM 0 HH21 ARG A 62 8.819 -3.523 -8.587 1.00 15.51 H new ATOM 0 HH22 ARG A 62 7.384 -4.013 -9.493 1.00 15.51 H new ATOM 938 N PHE A 63 6.270 -5.285 -1.670 1.00 60.42 N ATOM 939 CA PHE A 63 5.994 -6.144 -0.525 1.00 31.42 C ATOM 940 C PHE A 63 6.056 -7.612 -0.910 1.00 72.30 C ATOM 941 O PHE A 63 5.385 -8.047 -1.846 1.00 53.11 O ATOM 942 CB PHE A 63 4.611 -5.843 0.065 1.00 1.30 C ATOM 943 CG PHE A 63 4.543 -4.584 0.882 1.00 3.12 C ATOM 944 CD1 PHE A 63 4.812 -4.615 2.242 1.00 4.24 C ATOM 945 CD2 PHE A 63 4.198 -3.378 0.297 1.00 71.32 C ATOM 946 CE1 PHE A 63 4.739 -3.465 3.003 1.00 40.10 C ATOM 947 CE2 PHE A 63 4.121 -2.225 1.054 1.00 12.30 C ATOM 948 CZ PHE A 63 4.393 -2.268 2.408 1.00 35.23 C ATOM 0 H PHE A 63 5.532 -5.271 -2.374 1.00 60.42 H new ATOM 0 HA PHE A 63 6.761 -5.937 0.222 1.00 31.42 H new ATOM 0 HB2 PHE A 63 3.890 -5.772 -0.749 1.00 1.30 H new ATOM 0 HB3 PHE A 63 4.305 -6.683 0.689 1.00 1.30 H new ATOM 0 HD1 PHE A 63 5.082 -5.549 2.712 1.00 4.24 H new ATOM 0 HD2 PHE A 63 3.987 -3.338 -0.761 1.00 71.32 H new ATOM 0 HE1 PHE A 63 4.952 -3.502 4.061 1.00 40.10 H new ATOM 0 HE2 PHE A 63 3.848 -1.290 0.587 1.00 12.30 H new ATOM 0 HZ PHE A 63 4.335 -1.367 3.000 1.00 35.23 H new ATOM 958 N LYS A 64 6.862 -8.372 -0.189 1.00 42.54 N ATOM 959 CA LYS A 64 6.869 -9.814 -0.340 1.00 44.41 C ATOM 960 C LYS A 64 6.324 -10.453 0.926 1.00 21.04 C ATOM 961 O LYS A 64 6.731 -10.112 2.038 1.00 52.21 O ATOM 962 CB LYS A 64 8.272 -10.363 -0.634 1.00 11.41 C ATOM 963 CG LYS A 64 9.267 -10.165 0.498 1.00 33.44 C ATOM 964 CD LYS A 64 10.215 -11.347 0.633 1.00 70.54 C ATOM 965 CE LYS A 64 9.480 -12.610 1.059 1.00 64.33 C ATOM 966 NZ LYS A 64 10.411 -13.742 1.319 1.00 73.55 N ATOM 0 H LYS A 64 7.518 -8.014 0.505 1.00 42.54 H new ATOM 0 HA LYS A 64 6.239 -10.062 -1.194 1.00 44.41 H new ATOM 0 HB2 LYS A 64 8.195 -11.428 -0.853 1.00 11.41 H new ATOM 0 HB3 LYS A 64 8.659 -9.880 -1.531 1.00 11.41 H new ATOM 0 HG2 LYS A 64 9.843 -9.256 0.321 1.00 33.44 H new ATOM 0 HG3 LYS A 64 8.728 -10.023 1.435 1.00 33.44 H new ATOM 0 HD2 LYS A 64 10.718 -11.521 -0.318 1.00 70.54 H new ATOM 0 HD3 LYS A 64 10.989 -11.112 1.364 1.00 70.54 H new ATOM 0 HE2 LYS A 64 8.900 -12.405 1.959 1.00 64.33 H new ATOM 0 HE3 LYS A 64 8.772 -12.896 0.281 1.00 64.33 H new ATOM 0 HZ1 LYS A 64 9.867 -14.580 1.606 1.00 73.55 H new ATOM 0 HZ2 LYS A 64 10.947 -13.957 0.454 1.00 73.55 H new ATOM 0 HZ3 LYS A 64 11.071 -13.481 2.079 1.00 73.55 H new ATOM 980 N PHE A 65 5.396 -11.365 0.753 1.00 52.32 N ATOM 981 CA PHE A 65 4.809 -12.072 1.872 1.00 13.44 C ATOM 982 C PHE A 65 5.432 -13.450 1.973 1.00 12.30 C ATOM 983 O PHE A 65 6.161 -13.865 1.070 1.00 44.30 O ATOM 984 CB PHE A 65 3.291 -12.162 1.711 1.00 25.00 C ATOM 985 CG PHE A 65 2.615 -10.818 1.752 1.00 3.21 C ATOM 986 CD1 PHE A 65 2.572 -10.013 0.624 1.00 64.51 C ATOM 987 CD2 PHE A 65 2.037 -10.354 2.922 1.00 11.43 C ATOM 988 CE1 PHE A 65 1.963 -8.775 0.663 1.00 34.31 C ATOM 989 CE2 PHE A 65 1.424 -9.116 2.965 1.00 62.22 C ATOM 990 CZ PHE A 65 1.389 -8.326 1.833 1.00 52.10 C ATOM 0 H PHE A 65 5.028 -11.638 -0.158 1.00 52.32 H new ATOM 0 HA PHE A 65 5.009 -11.527 2.794 1.00 13.44 H new ATOM 0 HB2 PHE A 65 3.060 -12.650 0.764 1.00 25.00 H new ATOM 0 HB3 PHE A 65 2.884 -12.792 2.502 1.00 25.00 H new ATOM 0 HD1 PHE A 65 3.020 -10.359 -0.296 1.00 64.51 H new ATOM 0 HD2 PHE A 65 2.066 -10.967 3.811 1.00 11.43 H new ATOM 0 HE1 PHE A 65 1.936 -8.158 -0.223 1.00 34.31 H new ATOM 0 HE2 PHE A 65 0.973 -8.767 3.882 1.00 62.22 H new ATOM 0 HZ PHE A 65 0.912 -7.357 1.864 1.00 52.10 H new ATOM 1000 N GLU A 66 5.170 -14.151 3.062 1.00 74.33 N ATOM 1001 CA GLU A 66 5.757 -15.459 3.267 1.00 74.33 C ATOM 1002 C GLU A 66 5.217 -16.434 2.224 1.00 20.23 C ATOM 1003 O GLU A 66 5.977 -17.132 1.553 1.00 44.03 O ATOM 1004 CB GLU A 66 5.451 -15.934 4.683 1.00 72.05 C ATOM 1005 CG GLU A 66 6.592 -16.672 5.349 1.00 62.44 C ATOM 1006 CD GLU A 66 6.945 -17.963 4.650 1.00 62.24 C ATOM 1007 OE1 GLU A 66 6.226 -18.966 4.851 1.00 15.00 O ATOM 1008 OE2 GLU A 66 7.946 -17.984 3.901 1.00 54.41 O ATOM 0 H GLU A 66 4.557 -13.836 3.814 1.00 74.33 H new ATOM 0 HA GLU A 66 6.839 -15.406 3.150 1.00 74.33 H new ATOM 0 HB2 GLU A 66 5.185 -15.072 5.294 1.00 72.05 H new ATOM 0 HB3 GLU A 66 4.578 -16.586 4.655 1.00 72.05 H new ATOM 0 HG2 GLU A 66 7.470 -16.027 5.374 1.00 62.44 H new ATOM 0 HG3 GLU A 66 6.324 -16.886 6.384 1.00 62.44 H new ATOM 1015 N VAL A 67 3.900 -16.460 2.079 1.00 25.40 N ATOM 1016 CA VAL A 67 3.266 -17.251 1.035 1.00 42.55 C ATOM 1017 C VAL A 67 2.358 -16.375 0.181 1.00 32.45 C ATOM 1018 O VAL A 67 1.987 -15.271 0.585 1.00 71.33 O ATOM 1019 CB VAL A 67 2.456 -18.435 1.607 1.00 71.01 C ATOM 1020 CG1 VAL A 67 3.377 -19.446 2.270 1.00 63.54 C ATOM 1021 CG2 VAL A 67 1.396 -17.952 2.586 1.00 43.02 C ATOM 0 H VAL A 67 3.250 -15.943 2.671 1.00 25.40 H new ATOM 0 HA VAL A 67 4.066 -17.662 0.419 1.00 42.55 H new ATOM 0 HB VAL A 67 1.948 -18.925 0.777 1.00 71.01 H new ATOM 0 HG11 VAL A 67 2.786 -20.272 2.666 1.00 63.54 H new ATOM 0 HG12 VAL A 67 4.087 -19.827 1.536 1.00 63.54 H new ATOM 0 HG13 VAL A 67 3.919 -18.965 3.084 1.00 63.54 H new ATOM 0 HG21 VAL A 67 0.841 -18.807 2.973 1.00 43.02 H new ATOM 0 HG22 VAL A 67 1.876 -17.427 3.412 1.00 43.02 H new ATOM 0 HG23 VAL A 67 0.710 -17.276 2.076 1.00 43.02 H new ATOM 1031 N SER A 68 1.989 -16.873 -0.991 1.00 24.23 N ATOM 1032 CA SER A 68 1.197 -16.103 -1.935 1.00 60.32 C ATOM 1033 C SER A 68 -0.217 -15.878 -1.413 1.00 33.42 C ATOM 1034 O SER A 68 -0.872 -14.892 -1.755 1.00 73.12 O ATOM 1035 CB SER A 68 1.167 -16.821 -3.281 1.00 11.14 C ATOM 1036 OG SER A 68 2.486 -17.097 -3.730 1.00 42.45 O ATOM 0 H SER A 68 2.228 -17.812 -1.310 1.00 24.23 H new ATOM 0 HA SER A 68 1.659 -15.124 -2.061 1.00 60.32 H new ATOM 0 HB2 SER A 68 0.606 -17.751 -3.191 1.00 11.14 H new ATOM 0 HB3 SER A 68 0.648 -16.206 -4.016 1.00 11.14 H new ATOM 0 HG SER A 68 2.448 -17.559 -4.593 1.00 42.45 H new ATOM 1042 N ALA A 69 -0.664 -16.782 -0.560 1.00 11.23 N ATOM 1043 CA ALA A 69 -1.992 -16.688 0.035 1.00 23.53 C ATOM 1044 C ALA A 69 -2.103 -15.461 0.933 1.00 61.25 C ATOM 1045 O ALA A 69 -3.151 -14.818 1.002 1.00 74.34 O ATOM 1046 CB ALA A 69 -2.308 -17.950 0.823 1.00 5.04 C ATOM 0 H ALA A 69 -0.126 -17.595 -0.260 1.00 11.23 H new ATOM 0 HA ALA A 69 -2.719 -16.585 -0.771 1.00 23.53 H new ATOM 0 HB1 ALA A 69 -3.302 -17.866 1.262 1.00 5.04 H new ATOM 0 HB2 ALA A 69 -2.277 -18.812 0.157 1.00 5.04 H new ATOM 0 HB3 ALA A 69 -1.571 -18.078 1.616 1.00 5.04 H new ATOM 1052 N GLU A 70 -1.006 -15.130 1.605 1.00 61.33 N ATOM 1053 CA GLU A 70 -0.973 -13.989 2.507 1.00 0.13 C ATOM 1054 C GLU A 70 -0.994 -12.683 1.721 1.00 45.50 C ATOM 1055 O GLU A 70 -1.495 -11.668 2.202 1.00 43.55 O ATOM 1056 CB GLU A 70 0.258 -14.066 3.412 1.00 54.44 C ATOM 1057 CG GLU A 70 0.195 -15.227 4.391 1.00 64.13 C ATOM 1058 CD GLU A 70 1.353 -15.247 5.365 1.00 21.42 C ATOM 1059 OE1 GLU A 70 2.505 -15.406 4.918 1.00 71.20 O ATOM 1060 OE2 GLU A 70 1.112 -15.128 6.586 1.00 70.43 O ATOM 0 H GLU A 70 -0.125 -15.640 1.540 1.00 61.33 H new ATOM 0 HA GLU A 70 -1.862 -14.015 3.137 1.00 0.13 H new ATOM 0 HB2 GLU A 70 1.151 -14.164 2.795 1.00 54.44 H new ATOM 0 HB3 GLU A 70 0.355 -13.133 3.967 1.00 54.44 H new ATOM 0 HG2 GLU A 70 -0.740 -15.174 4.949 1.00 64.13 H new ATOM 0 HG3 GLU A 70 0.181 -16.164 3.834 1.00 64.13 H new ATOM 1067 N LYS A 71 -0.464 -12.720 0.502 1.00 42.52 N ATOM 1068 CA LYS A 71 -0.519 -11.563 -0.381 1.00 61.14 C ATOM 1069 C LYS A 71 -1.961 -11.292 -0.756 1.00 54.32 C ATOM 1070 O LYS A 71 -2.448 -10.170 -0.651 1.00 5.13 O ATOM 1071 CB LYS A 71 0.270 -11.807 -1.665 1.00 1.35 C ATOM 1072 CG LYS A 71 0.662 -10.519 -2.375 1.00 72.02 C ATOM 1073 CD LYS A 71 0.687 -10.676 -3.887 1.00 43.42 C ATOM 1074 CE LYS A 71 -0.691 -11.010 -4.438 1.00 30.22 C ATOM 1075 NZ LYS A 71 -0.793 -10.739 -5.895 1.00 32.43 N ATOM 0 H LYS A 71 0.006 -13.534 0.106 1.00 42.52 H new ATOM 0 HA LYS A 71 -0.084 -10.715 0.147 1.00 61.14 H new ATOM 0 HB2 LYS A 71 1.170 -12.374 -1.430 1.00 1.35 H new ATOM 0 HB3 LYS A 71 -0.326 -12.421 -2.340 1.00 1.35 H new ATOM 0 HG2 LYS A 71 -0.041 -9.730 -2.106 1.00 72.02 H new ATOM 0 HG3 LYS A 71 1.646 -10.201 -2.029 1.00 72.02 H new ATOM 0 HD2 LYS A 71 1.048 -9.754 -4.343 1.00 43.42 H new ATOM 0 HD3 LYS A 71 1.389 -11.464 -4.160 1.00 43.42 H new ATOM 0 HE2 LYS A 71 -0.911 -12.061 -4.249 1.00 30.22 H new ATOM 0 HE3 LYS A 71 -1.444 -10.426 -3.908 1.00 30.22 H new ATOM 0 HZ1 LYS A 71 -1.748 -10.981 -6.227 1.00 32.43 H new ATOM 0 HZ2 LYS A 71 -0.609 -9.731 -6.074 1.00 32.43 H new ATOM 0 HZ3 LYS A 71 -0.093 -11.315 -6.405 1.00 32.43 H new ATOM 1089 N LEU A 72 -2.622 -12.351 -1.199 1.00 22.33 N ATOM 1090 CA LEU A 72 -4.015 -12.287 -1.636 1.00 21.32 C ATOM 1091 C LEU A 72 -4.907 -11.634 -0.586 1.00 0.12 C ATOM 1092 O LEU A 72 -5.664 -10.719 -0.899 1.00 45.21 O ATOM 1093 CB LEU A 72 -4.532 -13.690 -1.955 1.00 72.42 C ATOM 1094 CG LEU A 72 -3.762 -14.435 -3.048 1.00 4.43 C ATOM 1095 CD1 LEU A 72 -4.350 -15.816 -3.253 1.00 72.23 C ATOM 1096 CD2 LEU A 72 -3.783 -13.652 -4.352 1.00 51.55 C ATOM 0 H LEU A 72 -2.210 -13.282 -1.267 1.00 22.33 H new ATOM 0 HA LEU A 72 -4.050 -11.672 -2.535 1.00 21.32 H new ATOM 0 HB2 LEU A 72 -4.505 -14.286 -1.043 1.00 72.42 H new ATOM 0 HB3 LEU A 72 -5.577 -13.615 -2.256 1.00 72.42 H new ATOM 0 HG LEU A 72 -2.725 -14.538 -2.729 1.00 4.43 H new ATOM 0 HD11 LEU A 72 -3.794 -16.336 -4.033 1.00 72.23 H new ATOM 0 HD12 LEU A 72 -4.285 -16.381 -2.323 1.00 72.23 H new ATOM 0 HD13 LEU A 72 -5.395 -15.726 -3.551 1.00 72.23 H new ATOM 0 HD21 LEU A 72 -3.230 -14.200 -5.115 1.00 51.55 H new ATOM 0 HD22 LEU A 72 -4.814 -13.517 -4.679 1.00 51.55 H new ATOM 0 HD23 LEU A 72 -3.320 -12.677 -4.199 1.00 51.55 H new ATOM 1108 N ILE A 73 -4.806 -12.097 0.656 1.00 43.02 N ATOM 1109 CA ILE A 73 -5.621 -11.558 1.744 1.00 61.44 C ATOM 1110 C ILE A 73 -5.390 -10.056 1.907 1.00 15.44 C ATOM 1111 O ILE A 73 -6.341 -9.277 1.993 1.00 5.43 O ATOM 1112 CB ILE A 73 -5.316 -12.269 3.082 1.00 43.04 C ATOM 1113 CG1 ILE A 73 -5.531 -13.781 2.949 1.00 62.40 C ATOM 1114 CG2 ILE A 73 -6.183 -11.701 4.201 1.00 51.14 C ATOM 1115 CD1 ILE A 73 -5.177 -14.553 4.203 1.00 63.12 C ATOM 0 H ILE A 73 -4.169 -12.843 0.936 1.00 43.02 H new ATOM 0 HA ILE A 73 -6.664 -11.735 1.481 1.00 61.44 H new ATOM 0 HB ILE A 73 -4.271 -12.091 3.334 1.00 43.04 H new ATOM 0 HG12 ILE A 73 -6.574 -13.971 2.697 1.00 62.40 H new ATOM 0 HG13 ILE A 73 -4.930 -14.154 2.120 1.00 62.40 H new ATOM 0 HG21 ILE A 73 -5.954 -12.214 5.135 1.00 51.14 H new ATOM 0 HG22 ILE A 73 -5.981 -10.636 4.313 1.00 51.14 H new ATOM 0 HG23 ILE A 73 -7.235 -11.847 3.956 1.00 51.14 H new ATOM 0 HD11 ILE A 73 -5.353 -15.616 4.038 1.00 63.12 H new ATOM 0 HD12 ILE A 73 -4.126 -14.393 4.445 1.00 63.12 H new ATOM 0 HD13 ILE A 73 -5.796 -14.207 5.030 1.00 63.12 H new ATOM 1127 N PHE A 74 -4.123 -9.660 1.930 1.00 42.33 N ATOM 1128 CA PHE A 74 -3.755 -8.255 2.060 1.00 3.30 C ATOM 1129 C PHE A 74 -4.303 -7.450 0.887 1.00 5.54 C ATOM 1130 O PHE A 74 -4.981 -6.443 1.082 1.00 20.43 O ATOM 1131 CB PHE A 74 -2.228 -8.131 2.135 1.00 43.23 C ATOM 1132 CG PHE A 74 -1.717 -6.720 2.232 1.00 33.50 C ATOM 1133 CD1 PHE A 74 -1.728 -6.047 3.442 1.00 51.21 C ATOM 1134 CD2 PHE A 74 -1.215 -6.073 1.113 1.00 73.55 C ATOM 1135 CE1 PHE A 74 -1.248 -4.756 3.536 1.00 72.12 C ATOM 1136 CE2 PHE A 74 -0.732 -4.782 1.202 1.00 13.02 C ATOM 1137 CZ PHE A 74 -0.748 -4.122 2.414 1.00 24.24 C ATOM 0 H PHE A 74 -3.329 -10.296 1.860 1.00 42.33 H new ATOM 0 HA PHE A 74 -4.189 -7.854 2.976 1.00 3.30 H new ATOM 0 HB2 PHE A 74 -1.873 -8.692 3.000 1.00 43.23 H new ATOM 0 HB3 PHE A 74 -1.795 -8.600 1.251 1.00 43.23 H new ATOM 0 HD1 PHE A 74 -2.116 -6.538 4.322 1.00 51.21 H new ATOM 0 HD2 PHE A 74 -1.202 -6.584 0.162 1.00 73.55 H new ATOM 0 HE1 PHE A 74 -1.263 -4.242 4.486 1.00 72.12 H new ATOM 0 HE2 PHE A 74 -0.342 -4.289 0.324 1.00 13.02 H new ATOM 0 HZ PHE A 74 -0.371 -3.113 2.486 1.00 24.24 H new ATOM 1147 N GLU A 75 -4.033 -7.930 -0.321 1.00 64.43 N ATOM 1148 CA GLU A 75 -4.483 -7.275 -1.546 1.00 71.14 C ATOM 1149 C GLU A 75 -6.005 -7.178 -1.607 1.00 21.33 C ATOM 1150 O GLU A 75 -6.555 -6.253 -2.205 1.00 62.21 O ATOM 1151 CB GLU A 75 -3.959 -8.037 -2.765 1.00 14.30 C ATOM 1152 CG GLU A 75 -2.499 -7.756 -3.081 1.00 11.32 C ATOM 1153 CD GLU A 75 -2.305 -6.393 -3.711 1.00 51.31 C ATOM 1154 OE1 GLU A 75 -2.135 -5.406 -2.973 1.00 31.42 O ATOM 1155 OE2 GLU A 75 -2.338 -6.303 -4.957 1.00 62.00 O ATOM 0 H GLU A 75 -3.497 -8.783 -0.480 1.00 64.43 H new ATOM 0 HA GLU A 75 -4.085 -6.260 -1.549 1.00 71.14 H new ATOM 0 HB2 GLU A 75 -4.085 -9.106 -2.596 1.00 14.30 H new ATOM 0 HB3 GLU A 75 -4.566 -7.778 -3.633 1.00 14.30 H new ATOM 0 HG2 GLU A 75 -1.912 -7.818 -2.165 1.00 11.32 H new ATOM 0 HG3 GLU A 75 -2.120 -8.524 -3.755 1.00 11.32 H new ATOM 1162 N LEU A 76 -6.687 -8.138 -0.999 1.00 2.12 N ATOM 1163 CA LEU A 76 -8.131 -8.141 -0.954 1.00 4.11 C ATOM 1164 C LEU A 76 -8.649 -7.076 0.006 1.00 24.34 C ATOM 1165 O LEU A 76 -9.637 -6.390 -0.278 1.00 41.43 O ATOM 1166 CB LEU A 76 -8.612 -9.526 -0.525 1.00 11.30 C ATOM 1167 CG LEU A 76 -8.700 -10.563 -1.647 1.00 73.21 C ATOM 1168 CD1 LEU A 76 -9.141 -11.910 -1.096 1.00 21.42 C ATOM 1169 CD2 LEU A 76 -9.656 -10.093 -2.730 1.00 50.03 C ATOM 0 H LEU A 76 -6.252 -8.931 -0.527 1.00 2.12 H new ATOM 0 HA LEU A 76 -8.520 -7.909 -1.945 1.00 4.11 H new ATOM 0 HB2 LEU A 76 -7.939 -9.904 0.245 1.00 11.30 H new ATOM 0 HB3 LEU A 76 -9.596 -9.425 -0.067 1.00 11.30 H new ATOM 0 HG LEU A 76 -7.709 -10.679 -2.087 1.00 73.21 H new ATOM 0 HD11 LEU A 76 -9.198 -12.634 -1.908 1.00 21.42 H new ATOM 0 HD12 LEU A 76 -8.420 -12.253 -0.354 1.00 21.42 H new ATOM 0 HD13 LEU A 76 -10.121 -11.809 -0.630 1.00 21.42 H new ATOM 0 HD21 LEU A 76 -9.707 -10.842 -3.520 1.00 50.03 H new ATOM 0 HD22 LEU A 76 -10.648 -9.949 -2.302 1.00 50.03 H new ATOM 0 HD23 LEU A 76 -9.300 -9.150 -3.146 1.00 50.03 H new ATOM 1181 N LYS A 77 -7.973 -6.929 1.132 1.00 41.44 N ATOM 1182 CA LYS A 77 -8.394 -5.978 2.146 1.00 12.01 C ATOM 1183 C LYS A 77 -7.977 -4.555 1.792 1.00 33.02 C ATOM 1184 O LYS A 77 -8.661 -3.602 2.160 1.00 20.12 O ATOM 1185 CB LYS A 77 -7.864 -6.388 3.523 1.00 54.33 C ATOM 1186 CG LYS A 77 -8.566 -7.624 4.065 1.00 34.32 C ATOM 1187 CD LYS A 77 -8.348 -7.815 5.559 1.00 41.42 C ATOM 1188 CE LYS A 77 -6.914 -8.195 5.890 1.00 75.41 C ATOM 1189 NZ LYS A 77 -6.761 -8.524 7.334 1.00 11.44 N ATOM 0 H LYS A 77 -7.131 -7.455 1.367 1.00 41.44 H new ATOM 0 HA LYS A 77 -9.483 -5.991 2.183 1.00 12.01 H new ATOM 0 HB2 LYS A 77 -6.793 -6.581 3.456 1.00 54.33 H new ATOM 0 HB3 LYS A 77 -7.996 -5.562 4.222 1.00 54.33 H new ATOM 0 HG2 LYS A 77 -9.635 -7.547 3.865 1.00 34.32 H new ATOM 0 HG3 LYS A 77 -8.205 -8.504 3.534 1.00 34.32 H new ATOM 0 HD2 LYS A 77 -8.607 -6.895 6.082 1.00 41.42 H new ATOM 0 HD3 LYS A 77 -9.021 -8.590 5.926 1.00 41.42 H new ATOM 0 HE2 LYS A 77 -6.614 -9.051 5.286 1.00 75.41 H new ATOM 0 HE3 LYS A 77 -6.248 -7.372 5.630 1.00 75.41 H new ATOM 0 HZ1 LYS A 77 -5.765 -8.746 7.536 1.00 11.44 H new ATOM 0 HZ2 LYS A 77 -7.057 -7.710 7.909 1.00 11.44 H new ATOM 0 HZ3 LYS A 77 -7.353 -9.346 7.567 1.00 11.44 H new ATOM 1203 N THR A 78 -6.879 -4.406 1.059 1.00 72.15 N ATOM 1204 CA THR A 78 -6.433 -3.084 0.638 1.00 30.34 C ATOM 1205 C THR A 78 -7.383 -2.492 -0.399 1.00 51.23 C ATOM 1206 O THR A 78 -7.631 -1.288 -0.402 1.00 64.03 O ATOM 1207 CB THR A 78 -5.002 -3.113 0.078 1.00 72.53 C ATOM 1208 OG1 THR A 78 -4.869 -4.163 -0.884 1.00 43.35 O ATOM 1209 CG2 THR A 78 -3.991 -3.306 1.196 1.00 73.11 C ATOM 0 H THR A 78 -6.287 -5.176 0.747 1.00 72.15 H new ATOM 0 HA THR A 78 -6.436 -2.451 1.526 1.00 30.34 H new ATOM 0 HB THR A 78 -4.806 -2.157 -0.407 1.00 72.53 H new ATOM 0 HG1 THR A 78 -4.011 -4.073 -1.350 1.00 43.35 H new ATOM 0 HG21 THR A 78 -2.985 -3.324 0.778 1.00 73.11 H new ATOM 0 HG22 THR A 78 -4.074 -2.484 1.907 1.00 73.11 H new ATOM 0 HG23 THR A 78 -4.188 -4.249 1.706 1.00 73.11 H new ATOM 1217 N ARG A 79 -7.931 -3.343 -1.263 1.00 70.43 N ATOM 1218 CA ARG A 79 -8.928 -2.923 -2.227 1.00 23.43 C ATOM 1219 C ARG A 79 -10.125 -2.294 -1.523 1.00 35.13 C ATOM 1220 O ARG A 79 -10.630 -1.250 -1.935 1.00 60.44 O ATOM 1221 CB ARG A 79 -9.386 -4.124 -3.049 1.00 23.22 C ATOM 1222 CG ARG A 79 -8.361 -4.638 -4.052 1.00 31.30 C ATOM 1223 CD ARG A 79 -8.086 -3.629 -5.159 1.00 72.42 C ATOM 1224 NE ARG A 79 -7.173 -2.566 -4.737 1.00 42.13 N ATOM 1225 CZ ARG A 79 -7.321 -1.280 -5.052 1.00 44.55 C ATOM 1226 NH1 ARG A 79 -8.372 -0.881 -5.764 1.00 31.01 N ATOM 1227 NH2 ARG A 79 -6.427 -0.393 -4.641 1.00 15.51 N ATOM 0 H ARG A 79 -7.695 -4.334 -1.310 1.00 70.43 H new ATOM 0 HA ARG A 79 -8.483 -2.178 -2.887 1.00 23.43 H new ATOM 0 HB2 ARG A 79 -9.646 -4.935 -2.368 1.00 23.22 H new ATOM 0 HB3 ARG A 79 -10.295 -3.854 -3.586 1.00 23.22 H new ATOM 0 HG2 ARG A 79 -7.431 -4.868 -3.533 1.00 31.30 H new ATOM 0 HG3 ARG A 79 -8.720 -5.569 -4.491 1.00 31.30 H new ATOM 0 HD2 ARG A 79 -7.662 -4.146 -6.020 1.00 72.42 H new ATOM 0 HD3 ARG A 79 -9.027 -3.186 -5.484 1.00 72.42 H new ATOM 0 HE ARG A 79 -6.371 -2.827 -4.164 1.00 42.13 H new ATOM 0 HH11 ARG A 79 -9.068 -1.561 -6.071 1.00 31.01 H new ATOM 0 HH12 ARG A 79 -8.482 0.105 -6.003 1.00 31.01 H new ATOM 0 HH21 ARG A 79 -5.627 -0.695 -4.085 1.00 15.51 H new ATOM 0 HH22 ARG A 79 -6.538 0.592 -4.881 1.00 15.51 H new ATOM 1241 N SER A 80 -10.566 -2.940 -0.451 1.00 32.23 N ATOM 1242 CA SER A 80 -11.717 -2.490 0.300 1.00 32.44 C ATOM 1243 C SER A 80 -11.369 -1.303 1.195 1.00 22.34 C ATOM 1244 O SER A 80 -12.250 -0.546 1.610 1.00 31.34 O ATOM 1245 CB SER A 80 -12.243 -3.653 1.134 1.00 50.45 C ATOM 1246 OG SER A 80 -12.458 -4.800 0.326 1.00 24.24 O ATOM 0 H SER A 80 -10.133 -3.787 -0.084 1.00 32.23 H new ATOM 0 HA SER A 80 -12.486 -2.154 -0.395 1.00 32.44 H new ATOM 0 HB2 SER A 80 -11.532 -3.889 1.925 1.00 50.45 H new ATOM 0 HB3 SER A 80 -13.176 -3.365 1.619 1.00 50.45 H new ATOM 0 HG SER A 80 -11.601 -5.241 0.149 1.00 24.24 H new ATOM 1252 N LEU A 81 -10.083 -1.135 1.473 1.00 11.40 N ATOM 1253 CA LEU A 81 -9.608 -0.050 2.300 1.00 41.13 C ATOM 1254 C LEU A 81 -9.442 1.219 1.465 1.00 52.03 C ATOM 1255 O LEU A 81 -9.841 2.305 1.882 1.00 44.45 O ATOM 1256 CB LEU A 81 -8.278 -0.457 2.943 1.00 2.31 C ATOM 1257 CG LEU A 81 -7.415 0.699 3.425 1.00 31.32 C ATOM 1258 CD1 LEU A 81 -8.045 1.386 4.630 1.00 65.21 C ATOM 1259 CD2 LEU A 81 -6.009 0.221 3.750 1.00 5.11 C ATOM 0 H LEU A 81 -9.346 -1.750 1.129 1.00 11.40 H new ATOM 0 HA LEU A 81 -10.335 0.159 3.085 1.00 41.13 H new ATOM 0 HB2 LEU A 81 -8.486 -1.112 3.789 1.00 2.31 H new ATOM 0 HB3 LEU A 81 -7.707 -1.041 2.221 1.00 2.31 H new ATOM 0 HG LEU A 81 -7.349 1.430 2.619 1.00 31.32 H new ATOM 0 HD11 LEU A 81 -7.408 2.209 4.954 1.00 65.21 H new ATOM 0 HD12 LEU A 81 -9.026 1.774 4.356 1.00 65.21 H new ATOM 0 HD13 LEU A 81 -8.153 0.668 5.443 1.00 65.21 H new ATOM 0 HD21 LEU A 81 -5.408 1.064 4.093 1.00 5.11 H new ATOM 0 HD22 LEU A 81 -6.054 -0.535 4.534 1.00 5.11 H new ATOM 0 HD23 LEU A 81 -5.555 -0.208 2.857 1.00 5.11 H new