USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 598 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 63 GLN : amide:sc= -4.24 K(o=-5.4,f=-4.4) USER MOD Set 1.2: A 65 TYR OH : rot 178:sc= -1.11 USER MOD Set 2.1: A 13 SER OG : rot -30:sc= -1.61! USER MOD Set 2.2: A 75 THR OG1 : rot -78:sc= 0.948 USER MOD Single : A 16 LYS NZ :NH3+ -114:sc=-0.000972 (180deg=-0.254) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.0014) USER MOD Single : A 40 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0819) USER MOD Single : A 41 THR OG1 : rot 160:sc= -0.24 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.402 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 3:sc= 0.155 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 13 73.969 -0.427 -9.340 1.00 0.00 N ATOM 76 CA SER A 13 72.666 -0.746 -8.679 1.00 0.00 C ATOM 77 C SER A 13 72.462 0.144 -7.449 1.00 0.00 C ATOM 78 O SER A 13 73.411 0.676 -6.898 1.00 0.00 O ATOM 79 CB SER A 13 72.783 -2.213 -8.265 1.00 0.00 C ATOM 80 OG SER A 13 73.853 -2.357 -7.342 1.00 0.00 O ATOM 0 HA SER A 13 71.816 -0.573 -9.339 1.00 0.00 H new ATOM 0 HB2 SER A 13 71.850 -2.551 -7.813 1.00 0.00 H new ATOM 0 HB3 SER A 13 72.957 -2.837 -9.141 1.00 0.00 H new ATOM 0 HG SER A 13 74.538 -1.682 -7.528 1.00 0.00 H new ATOM 86 N GLU A 14 71.228 0.297 -7.018 1.00 0.00 N ATOM 87 CA GLU A 14 70.923 1.193 -5.861 1.00 0.00 C ATOM 88 C GLU A 14 69.703 0.675 -5.092 1.00 0.00 C ATOM 89 O GLU A 14 68.801 0.095 -5.671 1.00 0.00 O ATOM 90 CB GLU A 14 70.622 2.558 -6.484 1.00 0.00 C ATOM 91 CG GLU A 14 71.921 3.349 -6.648 1.00 0.00 C ATOM 92 CD GLU A 14 71.622 4.705 -7.290 1.00 0.00 C ATOM 93 OE1 GLU A 14 70.864 4.733 -8.246 1.00 0.00 O ATOM 94 OE2 GLU A 14 72.155 5.693 -6.815 1.00 0.00 O ATOM 0 H GLU A 14 70.415 -0.166 -7.425 1.00 0.00 H new ATOM 0 HA GLU A 14 71.748 1.241 -5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 14 70.140 2.428 -7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 14 69.926 3.111 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 14 72.396 3.492 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 14 72.623 2.790 -7.267 1.00 0.00 H new ATOM 101 N LEU A 15 69.682 0.883 -3.795 1.00 0.00 N ATOM 102 CA LEU A 15 68.484 0.521 -2.974 1.00 0.00 C ATOM 103 C LEU A 15 68.056 1.712 -2.112 1.00 0.00 C ATOM 104 O LEU A 15 68.867 2.303 -1.418 1.00 0.00 O ATOM 105 CB LEU A 15 68.945 -0.643 -2.094 1.00 0.00 C ATOM 106 CG LEU A 15 67.740 -1.250 -1.374 1.00 0.00 C ATOM 107 CD1 LEU A 15 66.891 -2.038 -2.373 1.00 0.00 C ATOM 108 CD2 LEU A 15 68.227 -2.189 -0.268 1.00 0.00 C ATOM 0 H LEU A 15 70.453 1.292 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 15 67.626 0.251 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 15 69.437 -1.401 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 15 69.678 -0.294 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 15 67.139 -0.452 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 15 66.032 -2.470 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 15 66.544 -1.370 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 15 67.491 -2.836 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 15 67.369 -2.622 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 15 68.828 -2.986 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 15 68.832 -1.629 0.445 1.00 0.00 H new ATOM 120 N LYS A 16 66.791 2.066 -2.161 1.00 0.00 N ATOM 121 CA LYS A 16 66.269 3.169 -1.297 1.00 0.00 C ATOM 122 C LYS A 16 65.462 2.597 -0.130 1.00 0.00 C ATOM 123 O LYS A 16 64.588 1.767 -0.323 1.00 0.00 O ATOM 124 CB LYS A 16 65.370 4.006 -2.210 1.00 0.00 C ATOM 125 CG LYS A 16 66.210 5.059 -2.949 1.00 0.00 C ATOM 126 CD LYS A 16 65.364 6.309 -3.205 1.00 0.00 C ATOM 127 CE LYS A 16 66.140 7.278 -4.100 1.00 0.00 C ATOM 128 NZ LYS A 16 67.130 7.926 -3.197 1.00 0.00 N ATOM 0 H LYS A 16 66.095 1.633 -2.768 1.00 0.00 H new ATOM 0 HA LYS A 16 67.074 3.763 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 16 64.866 3.361 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 16 64.594 4.495 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 16 67.088 5.318 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 16 66.570 4.653 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 16 64.423 6.033 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 16 65.114 6.791 -2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 16 66.635 6.751 -4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 16 65.477 8.015 -4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.907 8.938 -3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 67.090 7.478 -2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 68.085 7.816 -3.593 1.00 0.00 H new ATOM 142 N LEU A 17 65.751 3.045 1.071 1.00 0.00 N ATOM 143 CA LEU A 17 65.094 2.477 2.290 1.00 0.00 C ATOM 144 C LEU A 17 64.439 3.591 3.109 1.00 0.00 C ATOM 145 O LEU A 17 64.843 4.738 3.035 1.00 0.00 O ATOM 146 CB LEU A 17 66.229 1.833 3.088 1.00 0.00 C ATOM 147 CG LEU A 17 66.753 0.605 2.341 1.00 0.00 C ATOM 148 CD1 LEU A 17 68.140 0.241 2.872 1.00 0.00 C ATOM 149 CD2 LEU A 17 65.798 -0.571 2.560 1.00 0.00 C ATOM 0 H LEU A 17 66.423 3.789 1.258 1.00 0.00 H new ATOM 0 HA LEU A 17 64.311 1.762 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 17 67.035 2.551 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 17 65.873 1.544 4.077 1.00 0.00 H new ATOM 0 HG LEU A 17 66.818 0.827 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 17 68.515 -0.634 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 17 68.820 1.079 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 17 68.075 0.018 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 17 66.171 -1.446 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 17 65.733 -0.794 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 17 64.809 -0.311 2.183 1.00 0.00 H new ATOM 161 N LYS A 18 63.432 3.255 3.885 1.00 0.00 N ATOM 162 CA LYS A 18 62.815 4.246 4.820 1.00 0.00 C ATOM 163 C LYS A 18 62.633 3.612 6.215 1.00 0.00 C ATOM 164 O LYS A 18 62.109 2.517 6.301 1.00 0.00 O ATOM 165 CB LYS A 18 61.455 4.577 4.203 1.00 0.00 C ATOM 166 CG LYS A 18 60.820 5.747 4.957 1.00 0.00 C ATOM 167 CD LYS A 18 59.437 6.042 4.372 1.00 0.00 C ATOM 168 CE LYS A 18 58.728 7.086 5.235 1.00 0.00 C ATOM 169 NZ LYS A 18 57.334 7.133 4.714 1.00 0.00 N ATOM 0 H LYS A 18 63.010 2.327 3.908 1.00 0.00 H new ATOM 0 HA LYS A 18 63.432 5.135 4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 18 61.575 4.832 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 18 60.802 3.705 4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 18 60.734 5.507 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 18 61.455 6.630 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 18 59.534 6.406 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 18 58.846 5.127 4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 18 58.747 6.806 6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 18 59.212 8.059 5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 56.784 7.829 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 57.347 7.409 3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 56.896 6.195 4.809 1.00 0.00 H new ATOM 183 N PRO A 19 63.066 4.299 7.270 1.00 0.00 N ATOM 184 CA PRO A 19 62.853 3.769 8.647 1.00 0.00 C ATOM 185 C PRO A 19 61.384 3.919 9.052 1.00 0.00 C ATOM 186 O PRO A 19 60.745 4.901 8.718 1.00 0.00 O ATOM 187 CB PRO A 19 63.751 4.645 9.519 1.00 0.00 C ATOM 188 CG PRO A 19 63.893 5.926 8.766 1.00 0.00 C ATOM 189 CD PRO A 19 63.778 5.594 7.302 1.00 0.00 C ATOM 0 HA PRO A 19 63.089 2.709 8.738 1.00 0.00 H new ATOM 0 HB2 PRO A 19 63.307 4.812 10.500 1.00 0.00 H new ATOM 0 HB3 PRO A 19 64.720 4.175 9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 19 63.120 6.635 9.062 1.00 0.00 H new ATOM 0 HG3 PRO A 19 64.854 6.394 8.980 1.00 0.00 H new ATOM 0 HD2 PRO A 19 63.226 6.364 6.763 1.00 0.00 H new ATOM 0 HD3 PRO A 19 64.760 5.519 6.834 1.00 0.00 H new ATOM 197 N LEU A 20 60.854 2.951 9.766 1.00 0.00 N ATOM 198 CA LEU A 20 59.434 3.036 10.246 1.00 0.00 C ATOM 199 C LEU A 20 59.271 3.869 11.554 1.00 0.00 C ATOM 200 O LEU A 20 58.392 4.713 11.561 1.00 0.00 O ATOM 201 CB LEU A 20 58.936 1.587 10.391 1.00 0.00 C ATOM 202 CG LEU A 20 58.710 0.984 9.003 1.00 0.00 C ATOM 203 CD1 LEU A 20 58.558 -0.533 9.122 1.00 0.00 C ATOM 204 CD2 LEU A 20 57.439 1.579 8.392 1.00 0.00 C ATOM 0 H LEU A 20 61.347 2.101 10.038 1.00 0.00 H new ATOM 0 HA LEU A 20 58.825 3.581 9.525 1.00 0.00 H new ATOM 0 HB2 LEU A 20 59.666 0.994 10.942 1.00 0.00 H new ATOM 0 HB3 LEU A 20 58.009 1.565 10.964 1.00 0.00 H new ATOM 0 HG LEU A 20 59.563 1.212 8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 20 58.397 -0.961 8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 20 59.463 -0.956 9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 20 57.705 -0.764 9.761 1.00 0.00 H new ATOM 0 HD21 LEU A 20 57.276 1.151 7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 20 56.586 1.350 9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 20 57.548 2.660 8.306 1.00 0.00 H new ATOM 216 N PRO A 21 60.061 3.664 12.629 1.00 0.00 N ATOM 217 CA PRO A 21 60.044 4.662 13.744 1.00 0.00 C ATOM 218 C PRO A 21 60.674 5.982 13.282 1.00 0.00 C ATOM 219 O PRO A 21 61.436 6.007 12.332 1.00 0.00 O ATOM 220 CB PRO A 21 60.881 4.016 14.850 1.00 0.00 C ATOM 221 CG PRO A 21 61.758 3.040 14.146 1.00 0.00 C ATOM 222 CD PRO A 21 60.989 2.552 12.954 1.00 0.00 C ATOM 0 HA PRO A 21 59.035 4.900 14.081 1.00 0.00 H new ATOM 0 HB2 PRO A 21 61.469 4.761 15.386 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.248 3.520 15.586 1.00 0.00 H new ATOM 0 HG2 PRO A 21 62.692 3.511 13.838 1.00 0.00 H new ATOM 0 HG3 PRO A 21 62.020 2.211 14.803 1.00 0.00 H new ATOM 0 HD2 PRO A 21 61.652 2.331 12.117 1.00 0.00 H new ATOM 0 HD3 PRO A 21 60.445 1.635 13.181 1.00 0.00 H new ATOM 230 N LYS A 22 60.357 7.068 13.953 1.00 0.00 N ATOM 231 CA LYS A 22 60.922 8.402 13.565 1.00 0.00 C ATOM 232 C LYS A 22 62.309 8.588 14.192 1.00 0.00 C ATOM 233 O LYS A 22 62.429 9.008 15.330 1.00 0.00 O ATOM 234 CB LYS A 22 59.940 9.444 14.114 1.00 0.00 C ATOM 235 CG LYS A 22 58.595 9.318 13.393 1.00 0.00 C ATOM 236 CD LYS A 22 58.732 9.829 11.957 1.00 0.00 C ATOM 237 CE LYS A 22 57.349 9.902 11.306 1.00 0.00 C ATOM 238 NZ LYS A 22 57.609 10.315 9.899 1.00 0.00 N ATOM 0 H LYS A 22 59.728 7.086 14.756 1.00 0.00 H new ATOM 0 HA LYS A 22 61.041 8.495 12.485 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.804 9.300 15.186 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.345 10.447 13.976 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.269 8.278 13.390 1.00 0.00 H new ATOM 0 HG3 LYS A 22 57.833 9.890 13.922 1.00 0.00 H new ATOM 0 HD2 LYS A 22 59.200 10.814 11.953 1.00 0.00 H new ATOM 0 HD3 LYS A 22 59.381 9.166 11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.841 8.938 11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 22 56.709 10.621 11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 56.707 10.387 9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 58.087 11.239 9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 58.215 9.608 9.436 1.00 0.00 H new ATOM 252 N VAL A 23 63.349 8.275 13.449 1.00 0.00 N ATOM 253 CA VAL A 23 64.743 8.440 13.967 1.00 0.00 C ATOM 254 C VAL A 23 65.690 8.838 12.823 1.00 0.00 C ATOM 255 O VAL A 23 65.557 8.359 11.710 1.00 0.00 O ATOM 256 CB VAL A 23 65.109 7.071 14.581 1.00 0.00 C ATOM 257 CG1 VAL A 23 65.094 5.965 13.515 1.00 0.00 C ATOM 258 CG2 VAL A 23 66.502 7.143 15.217 1.00 0.00 C ATOM 0 H VAL A 23 63.287 7.910 12.499 1.00 0.00 H new ATOM 0 HA VAL A 23 64.828 9.232 14.711 1.00 0.00 H new ATOM 0 HB VAL A 23 64.365 6.831 15.341 1.00 0.00 H new ATOM 0 HG11 VAL A 23 65.355 5.012 13.976 1.00 0.00 H new ATOM 0 HG12 VAL A 23 64.098 5.895 13.077 1.00 0.00 H new ATOM 0 HG13 VAL A 23 65.818 6.202 12.735 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.755 6.175 15.649 1.00 0.00 H new ATOM 0 HG22 VAL A 23 67.237 7.404 14.455 1.00 0.00 H new ATOM 0 HG23 VAL A 23 66.506 7.901 16.000 1.00 0.00 H new ATOM 268 N GLU A 24 66.635 9.708 13.101 1.00 0.00 N ATOM 269 CA GLU A 24 67.647 10.103 12.071 1.00 0.00 C ATOM 270 C GLU A 24 69.009 9.492 12.411 1.00 0.00 C ATOM 271 O GLU A 24 69.626 9.859 13.395 1.00 0.00 O ATOM 272 CB GLU A 24 67.712 11.630 12.143 1.00 0.00 C ATOM 273 CG GLU A 24 66.391 12.225 11.649 1.00 0.00 C ATOM 274 CD GLU A 24 66.487 13.752 11.644 1.00 0.00 C ATOM 275 OE1 GLU A 24 66.425 14.333 12.715 1.00 0.00 O ATOM 276 OE2 GLU A 24 66.623 14.314 10.570 1.00 0.00 O ATOM 0 H GLU A 24 66.748 10.164 14.006 1.00 0.00 H new ATOM 0 HA GLU A 24 67.380 9.754 11.074 1.00 0.00 H new ATOM 0 HB2 GLU A 24 67.905 11.948 13.168 1.00 0.00 H new ATOM 0 HB3 GLU A 24 68.538 11.998 11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.169 11.861 10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.572 11.904 12.293 1.00 0.00 H new ATOM 283 N LEU A 25 69.472 8.568 11.599 1.00 0.00 N ATOM 284 CA LEU A 25 70.760 7.862 11.896 1.00 0.00 C ATOM 285 C LEU A 25 71.935 8.580 11.200 1.00 0.00 C ATOM 286 O LEU A 25 71.829 8.887 10.028 1.00 0.00 O ATOM 287 CB LEU A 25 70.585 6.452 11.323 1.00 0.00 C ATOM 288 CG LEU A 25 69.526 5.698 12.130 1.00 0.00 C ATOM 289 CD1 LEU A 25 69.132 4.420 11.386 1.00 0.00 C ATOM 290 CD2 LEU A 25 70.092 5.334 13.505 1.00 0.00 C ATOM 0 H LEU A 25 69.010 8.272 10.739 1.00 0.00 H new ATOM 0 HA LEU A 25 70.981 7.845 12.963 1.00 0.00 H new ATOM 0 HB2 LEU A 25 70.287 6.508 10.276 1.00 0.00 H new ATOM 0 HB3 LEU A 25 71.533 5.915 11.356 1.00 0.00 H new ATOM 0 HG LEU A 25 68.648 6.331 12.256 1.00 0.00 H new ATOM 0 HD11 LEU A 25 68.378 3.882 11.960 1.00 0.00 H new ATOM 0 HD12 LEU A 25 68.727 4.679 10.408 1.00 0.00 H new ATOM 0 HD13 LEU A 25 70.010 3.787 11.259 1.00 0.00 H new ATOM 0 HD21 LEU A 25 69.337 4.797 14.079 1.00 0.00 H new ATOM 0 HD22 LEU A 25 70.971 4.702 13.381 1.00 0.00 H new ATOM 0 HD23 LEU A 25 70.372 6.244 14.036 1.00 0.00 H new ATOM 302 N PRO A 26 73.024 8.832 11.924 1.00 0.00 N ATOM 303 CA PRO A 26 74.226 9.471 11.299 1.00 0.00 C ATOM 304 C PRO A 26 74.786 8.616 10.140 1.00 0.00 C ATOM 305 O PRO A 26 74.413 7.466 10.005 1.00 0.00 O ATOM 306 CB PRO A 26 75.236 9.557 12.448 1.00 0.00 C ATOM 307 CG PRO A 26 74.409 9.484 13.686 1.00 0.00 C ATOM 308 CD PRO A 26 73.257 8.580 13.361 1.00 0.00 C ATOM 0 HA PRO A 26 73.996 10.442 10.861 1.00 0.00 H new ATOM 0 HB2 PRO A 26 75.956 8.740 12.404 1.00 0.00 H new ATOM 0 HB3 PRO A 26 75.805 10.486 12.406 1.00 0.00 H new ATOM 0 HG2 PRO A 26 74.990 9.091 14.521 1.00 0.00 H new ATOM 0 HG3 PRO A 26 74.058 10.473 13.980 1.00 0.00 H new ATOM 0 HD2 PRO A 26 73.499 7.535 13.552 1.00 0.00 H new ATOM 0 HD3 PRO A 26 72.377 8.818 13.959 1.00 0.00 H new ATOM 316 N PRO A 27 75.665 9.200 9.336 1.00 0.00 N ATOM 317 CA PRO A 27 76.123 8.538 8.074 1.00 0.00 C ATOM 318 C PRO A 27 76.930 7.251 8.329 1.00 0.00 C ATOM 319 O PRO A 27 77.225 6.533 7.391 1.00 0.00 O ATOM 320 CB PRO A 27 77.007 9.600 7.405 1.00 0.00 C ATOM 321 CG PRO A 27 76.646 10.881 8.079 1.00 0.00 C ATOM 322 CD PRO A 27 76.315 10.515 9.493 1.00 0.00 C ATOM 0 HA PRO A 27 75.278 8.220 7.464 1.00 0.00 H new ATOM 0 HB2 PRO A 27 78.065 9.371 7.533 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.819 9.651 6.332 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.473 11.590 8.041 1.00 0.00 H new ATOM 0 HG3 PRO A 27 75.796 11.356 7.588 1.00 0.00 H new ATOM 0 HD2 PRO A 27 77.207 10.455 10.117 1.00 0.00 H new ATOM 0 HD3 PRO A 27 75.650 11.244 9.956 1.00 0.00 H new ATOM 330 N ASP A 28 77.299 6.957 9.560 1.00 0.00 N ATOM 331 CA ASP A 28 78.059 5.691 9.842 1.00 0.00 C ATOM 332 C ASP A 28 77.123 4.472 9.796 1.00 0.00 C ATOM 333 O ASP A 28 77.542 3.378 9.451 1.00 0.00 O ATOM 334 CB ASP A 28 78.702 5.869 11.233 1.00 0.00 C ATOM 335 CG ASP A 28 77.639 6.023 12.336 1.00 0.00 C ATOM 336 OD1 ASP A 28 76.579 6.556 12.056 1.00 0.00 O ATOM 337 OD2 ASP A 28 77.912 5.600 13.447 1.00 0.00 O ATOM 0 H ASP A 28 77.107 7.537 10.377 1.00 0.00 H new ATOM 0 HA ASP A 28 78.826 5.510 9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 28 79.334 5.009 11.454 1.00 0.00 H new ATOM 0 HB3 ASP A 28 79.349 6.747 11.226 1.00 0.00 H new ATOM 342 N PHE A 29 75.862 4.654 10.135 1.00 0.00 N ATOM 343 CA PHE A 29 74.893 3.500 10.154 1.00 0.00 C ATOM 344 C PHE A 29 74.780 2.848 8.770 1.00 0.00 C ATOM 345 O PHE A 29 74.812 1.638 8.654 1.00 0.00 O ATOM 346 CB PHE A 29 73.541 4.085 10.583 1.00 0.00 C ATOM 347 CG PHE A 29 73.327 4.057 12.077 1.00 0.00 C ATOM 348 CD1 PHE A 29 73.857 5.100 12.897 1.00 0.00 C ATOM 349 CD2 PHE A 29 72.597 2.982 12.672 1.00 0.00 C ATOM 350 CE1 PHE A 29 73.657 5.069 14.313 1.00 0.00 C ATOM 351 CE2 PHE A 29 72.396 2.950 14.087 1.00 0.00 C ATOM 352 CZ PHE A 29 72.927 3.994 14.907 1.00 0.00 C ATOM 0 H PHE A 29 75.461 5.554 10.400 1.00 0.00 H new ATOM 0 HA PHE A 29 75.229 2.722 10.839 1.00 0.00 H new ATOM 0 HB2 PHE A 29 73.470 5.114 10.232 1.00 0.00 H new ATOM 0 HB3 PHE A 29 72.741 3.527 10.097 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.409 5.912 12.448 1.00 0.00 H new ATOM 0 HD2 PHE A 29 72.197 2.193 12.052 1.00 0.00 H new ATOM 0 HE1 PHE A 29 74.058 5.858 14.933 1.00 0.00 H new ATOM 0 HE2 PHE A 29 71.844 2.138 14.536 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.776 3.970 15.976 1.00 0.00 H new ATOM 362 N VAL A 30 74.661 3.641 7.726 1.00 0.00 N ATOM 363 CA VAL A 30 74.359 3.079 6.360 1.00 0.00 C ATOM 364 C VAL A 30 75.453 2.082 5.926 1.00 0.00 C ATOM 365 O VAL A 30 75.177 1.114 5.239 1.00 0.00 O ATOM 366 CB VAL A 30 74.269 4.297 5.413 1.00 0.00 C ATOM 367 CG1 VAL A 30 75.622 5.014 5.305 1.00 0.00 C ATOM 368 CG2 VAL A 30 73.821 3.834 4.023 1.00 0.00 C ATOM 0 H VAL A 30 74.760 4.656 7.759 1.00 0.00 H new ATOM 0 HA VAL A 30 73.426 2.515 6.347 1.00 0.00 H new ATOM 0 HB VAL A 30 73.542 4.998 5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 30 75.529 5.867 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 30 75.929 5.362 6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 30 76.370 4.324 4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 30 73.758 4.694 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 30 74.543 3.120 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 30 72.843 3.359 4.096 1.00 0.00 H new ATOM 378 N ASP A 31 76.681 2.322 6.334 1.00 0.00 N ATOM 379 CA ASP A 31 77.798 1.379 6.000 1.00 0.00 C ATOM 380 C ASP A 31 77.630 0.072 6.781 1.00 0.00 C ATOM 381 O ASP A 31 77.821 -1.004 6.242 1.00 0.00 O ATOM 382 CB ASP A 31 79.092 2.088 6.420 1.00 0.00 C ATOM 383 CG ASP A 31 79.305 3.327 5.547 1.00 0.00 C ATOM 384 OD1 ASP A 31 79.131 3.218 4.344 1.00 0.00 O ATOM 385 OD2 ASP A 31 79.640 4.363 6.097 1.00 0.00 O ATOM 0 H ASP A 31 76.957 3.134 6.886 1.00 0.00 H new ATOM 0 HA ASP A 31 77.810 1.128 4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 31 79.037 2.376 7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 31 79.939 1.410 6.319 1.00 0.00 H new ATOM 390 N VAL A 32 77.267 0.165 8.043 1.00 0.00 N ATOM 391 CA VAL A 32 77.141 -1.068 8.896 1.00 0.00 C ATOM 392 C VAL A 32 75.943 -1.903 8.414 1.00 0.00 C ATOM 393 O VAL A 32 76.013 -3.119 8.363 1.00 0.00 O ATOM 394 CB VAL A 32 76.934 -0.577 10.347 1.00 0.00 C ATOM 395 CG1 VAL A 32 76.837 -1.773 11.302 1.00 0.00 C ATOM 396 CG2 VAL A 32 78.118 0.296 10.780 1.00 0.00 C ATOM 0 H VAL A 32 77.053 1.041 8.519 1.00 0.00 H new ATOM 0 HA VAL A 32 78.026 -1.702 8.834 1.00 0.00 H new ATOM 0 HB VAL A 32 76.011 0.002 10.384 1.00 0.00 H new ATOM 0 HG11 VAL A 32 76.691 -1.414 12.321 1.00 0.00 H new ATOM 0 HG12 VAL A 32 75.994 -2.401 11.014 1.00 0.00 H new ATOM 0 HG13 VAL A 32 77.757 -2.355 11.251 1.00 0.00 H new ATOM 0 HG21 VAL A 32 77.963 0.637 11.804 1.00 0.00 H new ATOM 0 HG22 VAL A 32 79.038 -0.286 10.727 1.00 0.00 H new ATOM 0 HG23 VAL A 32 78.196 1.158 10.118 1.00 0.00 H new ATOM 406 N ILE A 33 74.856 -1.253 8.058 1.00 0.00 N ATOM 407 CA ILE A 33 73.657 -1.987 7.515 1.00 0.00 C ATOM 408 C ILE A 33 74.022 -2.681 6.189 1.00 0.00 C ATOM 409 O ILE A 33 73.645 -3.815 5.957 1.00 0.00 O ATOM 410 CB ILE A 33 72.563 -0.909 7.312 1.00 0.00 C ATOM 411 CG1 ILE A 33 72.198 -0.245 8.661 1.00 0.00 C ATOM 412 CG2 ILE A 33 71.299 -1.519 6.684 1.00 0.00 C ATOM 413 CD1 ILE A 33 71.668 -1.275 9.673 1.00 0.00 C ATOM 0 H ILE A 33 74.745 -0.241 8.120 1.00 0.00 H new ATOM 0 HA ILE A 33 73.308 -2.769 8.189 1.00 0.00 H new ATOM 0 HB ILE A 33 72.963 -0.154 6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 33 73.077 0.252 9.072 1.00 0.00 H new ATOM 0 HG13 ILE A 33 71.445 0.525 8.496 1.00 0.00 H new ATOM 0 HG21 ILE A 33 70.547 -0.741 6.552 1.00 0.00 H new ATOM 0 HG22 ILE A 33 71.547 -1.952 5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 33 70.906 -2.297 7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.422 -0.773 10.608 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.774 -1.753 9.272 1.00 0.00 H new ATOM 0 HD13 ILE A 33 72.432 -2.031 9.857 1.00 0.00 H new ATOM 425 N ARG A 34 74.753 -2.002 5.328 1.00 0.00 N ATOM 426 CA ARG A 34 75.186 -2.617 4.020 1.00 0.00 C ATOM 427 C ARG A 34 76.011 -3.893 4.252 1.00 0.00 C ATOM 428 O ARG A 34 75.845 -4.874 3.553 1.00 0.00 O ATOM 429 CB ARG A 34 76.044 -1.553 3.323 1.00 0.00 C ATOM 430 CG ARG A 34 76.311 -1.975 1.877 1.00 0.00 C ATOM 431 CD ARG A 34 77.082 -0.865 1.153 1.00 0.00 C ATOM 432 NE ARG A 34 78.450 -0.849 1.777 1.00 0.00 N ATOM 433 CZ ARG A 34 79.235 0.214 1.731 1.00 0.00 C ATOM 434 NH1 ARG A 34 78.886 1.328 1.122 1.00 0.00 N ATOM 435 NH2 ARG A 34 80.405 0.154 2.305 1.00 0.00 N ATOM 0 H ARG A 34 75.071 -1.044 5.474 1.00 0.00 H new ATOM 0 HA ARG A 34 74.324 -2.906 3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.534 -0.590 3.343 1.00 0.00 H new ATOM 0 HB3 ARG A 34 76.987 -1.426 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.884 -2.902 1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.369 -2.172 1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.142 -1.063 0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.586 0.098 1.272 1.00 0.00 H new ATOM 0 HE ARG A 34 78.784 -1.687 2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 34 77.978 1.395 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 34 79.523 2.124 1.111 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.698 -0.701 2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.027 0.962 2.282 1.00 0.00 H new ATOM 449 N ILE A 35 76.890 -3.875 5.231 1.00 0.00 N ATOM 450 CA ILE A 35 77.745 -5.080 5.526 1.00 0.00 C ATOM 451 C ILE A 35 76.862 -6.242 6.020 1.00 0.00 C ATOM 452 O ILE A 35 77.070 -7.383 5.647 1.00 0.00 O ATOM 453 CB ILE A 35 78.747 -4.632 6.613 1.00 0.00 C ATOM 454 CG1 ILE A 35 79.635 -3.509 6.063 1.00 0.00 C ATOM 455 CG2 ILE A 35 79.646 -5.800 7.038 1.00 0.00 C ATOM 456 CD1 ILE A 35 80.318 -2.784 7.223 1.00 0.00 C ATOM 0 H ILE A 35 77.054 -3.075 5.842 1.00 0.00 H new ATOM 0 HA ILE A 35 78.271 -5.439 4.641 1.00 0.00 H new ATOM 0 HB ILE A 35 78.180 -4.281 7.475 1.00 0.00 H new ATOM 0 HG12 ILE A 35 80.384 -3.921 5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 35 79.035 -2.807 5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 35 80.344 -5.462 7.804 1.00 0.00 H new ATOM 0 HG22 ILE A 35 79.031 -6.606 7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 35 80.203 -6.163 6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 35 80.949 -1.986 6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 35 79.561 -2.358 7.882 1.00 0.00 H new ATOM 0 HD13 ILE A 35 80.931 -3.490 7.783 1.00 0.00 H new ATOM 468 N LYS A 36 75.893 -5.951 6.857 1.00 0.00 N ATOM 469 CA LYS A 36 74.958 -7.020 7.356 1.00 0.00 C ATOM 470 C LYS A 36 74.125 -7.605 6.208 1.00 0.00 C ATOM 471 O LYS A 36 73.927 -8.805 6.134 1.00 0.00 O ATOM 472 CB LYS A 36 74.040 -6.337 8.376 1.00 0.00 C ATOM 473 CG LYS A 36 74.848 -5.950 9.616 1.00 0.00 C ATOM 474 CD LYS A 36 73.904 -5.414 10.694 1.00 0.00 C ATOM 475 CE LYS A 36 74.714 -4.996 11.922 1.00 0.00 C ATOM 476 NZ LYS A 36 73.753 -5.068 13.059 1.00 0.00 N ATOM 0 H LYS A 36 75.706 -5.016 7.219 1.00 0.00 H new ATOM 0 HA LYS A 36 75.514 -7.847 7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 36 73.585 -5.450 7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 36 73.227 -7.007 8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 36 75.393 -6.816 9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 36 75.590 -5.194 9.358 1.00 0.00 H new ATOM 0 HD2 LYS A 36 73.342 -4.563 10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 36 73.177 -6.178 10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 36 75.563 -5.661 12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 36 75.115 -3.989 11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 74.235 -4.795 13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 72.959 -4.420 12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 73.393 -6.040 13.149 1.00 0.00 H new ATOM 490 N LEU A 37 73.642 -6.766 5.319 1.00 0.00 N ATOM 491 CA LEU A 37 72.596 -7.205 4.338 1.00 0.00 C ATOM 492 C LEU A 37 73.226 -7.783 3.064 1.00 0.00 C ATOM 493 O LEU A 37 72.660 -8.667 2.447 1.00 0.00 O ATOM 494 CB LEU A 37 71.794 -5.944 4.005 1.00 0.00 C ATOM 495 CG LEU A 37 70.986 -5.509 5.230 1.00 0.00 C ATOM 496 CD1 LEU A 37 70.419 -4.109 4.993 1.00 0.00 C ATOM 497 CD2 LEU A 37 69.834 -6.490 5.460 1.00 0.00 C ATOM 0 H LEU A 37 73.929 -5.791 5.231 1.00 0.00 H new ATOM 0 HA LEU A 37 71.973 -7.994 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 37 72.467 -5.143 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 37 71.125 -6.137 3.166 1.00 0.00 H new ATOM 0 HG LEU A 37 71.634 -5.499 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 37 69.843 -3.797 5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 37 71.237 -3.408 4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 37 69.772 -4.122 4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 37 69.260 -6.179 6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 37 69.185 -6.501 4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 37 70.235 -7.490 5.627 1.00 0.00 H new ATOM 509 N GLN A 38 74.384 -7.292 2.668 1.00 0.00 N ATOM 510 CA GLN A 38 74.994 -7.680 1.339 1.00 0.00 C ATOM 511 C GLN A 38 75.062 -9.207 1.149 1.00 0.00 C ATOM 512 O GLN A 38 75.278 -9.948 2.091 1.00 0.00 O ATOM 513 CB GLN A 38 76.411 -7.073 1.316 1.00 0.00 C ATOM 514 CG GLN A 38 77.245 -7.576 2.501 1.00 0.00 C ATOM 515 CD GLN A 38 78.729 -7.314 2.229 1.00 0.00 C ATOM 516 OE1 GLN A 38 79.468 -8.222 1.903 1.00 0.00 O ATOM 517 NE2 GLN A 38 79.197 -6.102 2.350 1.00 0.00 N ATOM 0 H GLN A 38 74.940 -6.632 3.212 1.00 0.00 H new ATOM 0 HA GLN A 38 74.377 -7.304 0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 38 76.907 -7.334 0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 38 76.345 -5.986 1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 38 76.937 -7.071 3.416 1.00 0.00 H new ATOM 0 HG3 GLN A 38 77.075 -8.642 2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 38 78.576 -5.340 2.624 1.00 0.00 H new ATOM 0 HE22 GLN A 38 80.184 -5.916 2.171 1.00 0.00 H new ATOM 526 N GLY A 39 74.876 -9.664 -0.071 1.00 0.00 N ATOM 527 CA GLY A 39 74.784 -11.133 -0.345 1.00 0.00 C ATOM 528 C GLY A 39 73.316 -11.581 -0.404 1.00 0.00 C ATOM 529 O GLY A 39 72.997 -12.549 -1.072 1.00 0.00 O ATOM 0 H GLY A 39 74.783 -9.072 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 39 75.279 -11.364 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 39 75.308 -11.687 0.434 1.00 0.00 H new ATOM 533 N LYS A 40 72.430 -10.892 0.284 1.00 0.00 N ATOM 534 CA LYS A 40 70.971 -11.230 0.218 1.00 0.00 C ATOM 535 C LYS A 40 70.297 -10.442 -0.908 1.00 0.00 C ATOM 536 O LYS A 40 70.769 -9.387 -1.297 1.00 0.00 O ATOM 537 CB LYS A 40 70.394 -10.822 1.577 1.00 0.00 C ATOM 538 CG LYS A 40 70.977 -11.717 2.672 1.00 0.00 C ATOM 539 CD LYS A 40 70.345 -11.356 4.018 1.00 0.00 C ATOM 540 CE LYS A 40 71.046 -12.130 5.136 1.00 0.00 C ATOM 541 NZ LYS A 40 72.265 -11.335 5.448 1.00 0.00 N ATOM 0 H LYS A 40 72.659 -10.105 0.892 1.00 0.00 H new ATOM 0 HA LYS A 40 70.807 -12.288 0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 40 70.628 -9.778 1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 40 69.308 -10.908 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 40 70.788 -12.765 2.439 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.059 -11.592 2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 40 70.430 -10.284 4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 40 69.281 -11.595 4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 40 70.404 -12.228 6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 40 71.304 -13.139 4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 73.069 -11.977 5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 72.476 -10.698 4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 72.103 -10.774 6.308 1.00 0.00 H new ATOM 555 N THR A 41 69.203 -10.953 -1.429 1.00 0.00 N ATOM 556 CA THR A 41 68.480 -10.258 -2.539 1.00 0.00 C ATOM 557 C THR A 41 67.300 -9.457 -1.983 1.00 0.00 C ATOM 558 O THR A 41 66.683 -9.848 -1.008 1.00 0.00 O ATOM 559 CB THR A 41 67.986 -11.379 -3.454 1.00 0.00 C ATOM 560 OG1 THR A 41 69.062 -12.258 -3.747 1.00 0.00 O ATOM 561 CG2 THR A 41 67.448 -10.779 -4.754 1.00 0.00 C ATOM 0 H THR A 41 68.779 -11.830 -1.127 1.00 0.00 H new ATOM 0 HA THR A 41 69.119 -9.552 -3.069 1.00 0.00 H new ATOM 0 HB THR A 41 67.190 -11.932 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 41 68.707 -13.121 -4.047 1.00 0.00 H new ATOM 0 HG21 THR A 41 67.096 -11.579 -5.406 1.00 0.00 H new ATOM 0 HG22 THR A 41 66.622 -10.104 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 41 68.242 -10.226 -5.255 1.00 0.00 H new ATOM 569 N VAL A 42 66.991 -8.342 -2.605 1.00 0.00 N ATOM 570 CA VAL A 42 65.911 -7.439 -2.087 1.00 0.00 C ATOM 571 C VAL A 42 64.932 -7.074 -3.211 1.00 0.00 C ATOM 572 O VAL A 42 65.328 -6.906 -4.353 1.00 0.00 O ATOM 573 CB VAL A 42 66.625 -6.182 -1.552 1.00 0.00 C ATOM 574 CG1 VAL A 42 67.514 -6.564 -0.366 1.00 0.00 C ATOM 575 CG2 VAL A 42 67.491 -5.528 -2.641 1.00 0.00 C ATOM 0 H VAL A 42 67.446 -8.016 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 42 65.327 -7.923 -1.304 1.00 0.00 H new ATOM 0 HB VAL A 42 65.864 -5.467 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 42 68.019 -5.675 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 42 66.900 -6.996 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.257 -7.293 -0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.982 -4.644 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.245 -6.238 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 42 66.861 -5.238 -3.482 1.00 0.00 H new ATOM 585 N ARG A 43 63.665 -6.960 -2.881 1.00 0.00 N ATOM 586 CA ARG A 43 62.650 -6.464 -3.859 1.00 0.00 C ATOM 587 C ARG A 43 61.731 -5.439 -3.185 1.00 0.00 C ATOM 588 O ARG A 43 61.488 -5.508 -1.992 1.00 0.00 O ATOM 589 CB ARG A 43 61.852 -7.704 -4.269 1.00 0.00 C ATOM 590 CG ARG A 43 62.746 -8.647 -5.076 1.00 0.00 C ATOM 591 CD ARG A 43 61.904 -9.804 -5.626 1.00 0.00 C ATOM 592 NE ARG A 43 61.537 -10.646 -4.437 1.00 0.00 N ATOM 593 CZ ARG A 43 61.186 -11.917 -4.553 1.00 0.00 C ATOM 594 NH1 ARG A 43 61.120 -12.532 -5.713 1.00 0.00 N ATOM 595 NH2 ARG A 43 60.888 -12.584 -3.472 1.00 0.00 N ATOM 0 H ARG A 43 63.290 -7.194 -1.962 1.00 0.00 H new ATOM 0 HA ARG A 43 63.109 -5.972 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 43 61.474 -8.215 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 43 60.986 -7.411 -4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 43 63.218 -8.105 -5.896 1.00 0.00 H new ATOM 0 HG3 ARG A 43 63.547 -9.034 -4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 43 61.013 -9.433 -6.132 1.00 0.00 H new ATOM 0 HD3 ARG A 43 62.467 -10.384 -6.357 1.00 0.00 H new ATOM 0 HE ARG A 43 61.559 -10.224 -3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 43 61.344 -12.028 -6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 43 60.845 -13.513 -5.755 1.00 0.00 H new ATOM 0 HH21 ARG A 43 60.928 -12.125 -2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 43 60.615 -13.565 -3.537 1.00 0.00 H new ATOM 609 N THR A 44 61.215 -4.495 -3.944 1.00 0.00 N ATOM 610 CA THR A 44 60.360 -3.398 -3.356 1.00 0.00 C ATOM 611 C THR A 44 59.177 -3.969 -2.560 1.00 0.00 C ATOM 612 O THR A 44 58.528 -4.907 -2.992 1.00 0.00 O ATOM 613 CB THR A 44 59.839 -2.594 -4.555 1.00 0.00 C ATOM 614 OG1 THR A 44 60.920 -2.293 -5.425 1.00 0.00 O ATOM 615 CG2 THR A 44 59.200 -1.293 -4.063 1.00 0.00 C ATOM 0 H THR A 44 61.349 -4.434 -4.953 1.00 0.00 H new ATOM 0 HA THR A 44 60.938 -2.787 -2.662 1.00 0.00 H new ATOM 0 HB THR A 44 59.093 -3.182 -5.090 1.00 0.00 H new ATOM 0 HG1 THR A 44 60.589 -1.781 -6.192 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.831 -0.724 -4.916 1.00 0.00 H new ATOM 0 HG22 THR A 44 58.370 -1.525 -3.395 1.00 0.00 H new ATOM 0 HG23 THR A 44 59.943 -0.703 -3.527 1.00 0.00 H new ATOM 623 N GLY A 45 58.903 -3.405 -1.404 1.00 0.00 N ATOM 624 CA GLY A 45 57.712 -3.826 -0.601 1.00 0.00 C ATOM 625 C GLY A 45 58.106 -4.807 0.515 1.00 0.00 C ATOM 626 O GLY A 45 57.347 -5.002 1.448 1.00 0.00 O ATOM 0 H GLY A 45 59.461 -2.664 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 45 57.237 -2.948 -0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 45 56.977 -4.294 -1.256 1.00 0.00 H new ATOM 630 N ASP A 46 59.273 -5.425 0.436 1.00 0.00 N ATOM 631 CA ASP A 46 59.724 -6.355 1.531 1.00 0.00 C ATOM 632 C ASP A 46 59.912 -5.593 2.847 1.00 0.00 C ATOM 633 O ASP A 46 60.200 -4.409 2.845 1.00 0.00 O ATOM 634 CB ASP A 46 61.066 -6.938 1.070 1.00 0.00 C ATOM 635 CG ASP A 46 60.845 -7.892 -0.107 1.00 0.00 C ATOM 636 OD1 ASP A 46 59.881 -8.639 -0.074 1.00 0.00 O ATOM 637 OD2 ASP A 46 61.653 -7.864 -1.019 1.00 0.00 O ATOM 0 H ASP A 46 59.929 -5.324 -0.339 1.00 0.00 H new ATOM 0 HA ASP A 46 58.984 -7.135 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 46 61.740 -6.133 0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 46 61.544 -7.468 1.894 1.00 0.00 H new ATOM 642 N VAL A 47 59.749 -6.271 3.961 1.00 0.00 N ATOM 643 CA VAL A 47 59.972 -5.627 5.297 1.00 0.00 C ATOM 644 C VAL A 47 60.857 -6.542 6.155 1.00 0.00 C ATOM 645 O VAL A 47 60.612 -7.732 6.252 1.00 0.00 O ATOM 646 CB VAL A 47 58.569 -5.462 5.920 1.00 0.00 C ATOM 647 CG1 VAL A 47 58.676 -4.787 7.293 1.00 0.00 C ATOM 648 CG2 VAL A 47 57.690 -4.587 5.017 1.00 0.00 C ATOM 0 H VAL A 47 59.469 -7.251 4.001 1.00 0.00 H new ATOM 0 HA VAL A 47 60.476 -4.664 5.222 1.00 0.00 H new ATOM 0 HB VAL A 47 58.125 -6.452 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.680 -4.676 7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 47 59.290 -5.400 7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.134 -3.804 7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 47 56.703 -4.477 5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 47 58.149 -3.605 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.593 -5.057 4.038 1.00 0.00 H new ATOM 658 N ILE A 48 61.878 -5.986 6.771 1.00 0.00 N ATOM 659 CA ILE A 48 62.805 -6.807 7.618 1.00 0.00 C ATOM 660 C ILE A 48 63.140 -6.062 8.915 1.00 0.00 C ATOM 661 O ILE A 48 63.090 -4.846 8.966 1.00 0.00 O ATOM 662 CB ILE A 48 64.071 -7.057 6.771 1.00 0.00 C ATOM 663 CG1 ILE A 48 64.733 -5.732 6.341 1.00 0.00 C ATOM 664 CG2 ILE A 48 63.696 -7.867 5.525 1.00 0.00 C ATOM 665 CD1 ILE A 48 65.731 -5.273 7.410 1.00 0.00 C ATOM 0 H ILE A 48 62.109 -4.994 6.722 1.00 0.00 H new ATOM 0 HA ILE A 48 62.348 -7.753 7.908 1.00 0.00 H new ATOM 0 HB ILE A 48 64.785 -7.610 7.381 1.00 0.00 H new ATOM 0 HG12 ILE A 48 65.244 -5.864 5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 48 63.971 -4.967 6.191 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.588 -8.045 4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.266 -8.822 5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 48 62.967 -7.311 4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 48 66.194 -4.337 7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 48 65.209 -5.122 8.355 1.00 0.00 H new ATOM 0 HD13 ILE A 48 66.502 -6.033 7.539 1.00 0.00 H new ATOM 677 N GLY A 49 63.474 -6.792 9.958 1.00 0.00 N ATOM 678 CA GLY A 49 63.799 -6.158 11.274 1.00 0.00 C ATOM 679 C GLY A 49 65.293 -6.314 11.566 1.00 0.00 C ATOM 680 O GLY A 49 65.884 -7.336 11.265 1.00 0.00 O ATOM 0 H GLY A 49 63.535 -7.810 9.950 1.00 0.00 H new ATOM 0 HA2 GLY A 49 63.530 -5.102 11.256 1.00 0.00 H new ATOM 0 HA3 GLY A 49 63.213 -6.623 12.067 1.00 0.00 H new ATOM 684 N ILE A 50 65.900 -5.303 12.149 1.00 0.00 N ATOM 685 CA ILE A 50 67.335 -5.402 12.569 1.00 0.00 C ATOM 686 C ILE A 50 67.447 -5.076 14.067 1.00 0.00 C ATOM 687 O ILE A 50 66.838 -4.136 14.546 1.00 0.00 O ATOM 688 CB ILE A 50 68.095 -4.367 11.712 1.00 0.00 C ATOM 689 CG1 ILE A 50 67.941 -4.704 10.222 1.00 0.00 C ATOM 690 CG2 ILE A 50 69.591 -4.384 12.065 1.00 0.00 C ATOM 691 CD1 ILE A 50 68.420 -3.525 9.371 1.00 0.00 C ATOM 0 H ILE A 50 65.457 -4.407 12.353 1.00 0.00 H new ATOM 0 HA ILE A 50 67.748 -6.400 12.423 1.00 0.00 H new ATOM 0 HB ILE A 50 67.678 -3.381 11.915 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.518 -5.597 9.980 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.898 -4.927 9.996 1.00 0.00 H new ATOM 0 HG21 ILE A 50 70.117 -3.650 11.455 1.00 0.00 H new ATOM 0 HG22 ILE A 50 69.719 -4.138 13.119 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.999 -5.376 11.872 1.00 0.00 H new ATOM 0 HD11 ILE A 50 68.308 -3.770 8.315 1.00 0.00 H new ATOM 0 HD12 ILE A 50 67.824 -2.642 9.604 1.00 0.00 H new ATOM 0 HD13 ILE A 50 69.469 -3.322 9.588 1.00 0.00 H new ATOM 703 N SER A 51 68.213 -5.856 14.796 1.00 0.00 N ATOM 704 CA SER A 51 68.539 -5.505 16.215 1.00 0.00 C ATOM 705 C SER A 51 69.815 -4.658 16.270 1.00 0.00 C ATOM 706 O SER A 51 70.866 -5.092 15.831 1.00 0.00 O ATOM 707 CB SER A 51 68.760 -6.844 16.923 1.00 0.00 C ATOM 708 OG SER A 51 69.175 -6.606 18.261 1.00 0.00 O ATOM 0 H SER A 51 68.629 -6.727 14.465 1.00 0.00 H new ATOM 0 HA SER A 51 67.745 -4.923 16.684 1.00 0.00 H new ATOM 0 HB2 SER A 51 67.840 -7.429 16.914 1.00 0.00 H new ATOM 0 HB3 SER A 51 69.514 -7.427 16.395 1.00 0.00 H new ATOM 0 HG SER A 51 69.316 -7.462 18.717 1.00 0.00 H new ATOM 714 N ILE A 52 69.723 -3.460 16.803 1.00 0.00 N ATOM 715 CA ILE A 52 70.925 -2.568 16.908 1.00 0.00 C ATOM 716 C ILE A 52 71.051 -2.047 18.347 1.00 0.00 C ATOM 717 O ILE A 52 70.120 -1.484 18.893 1.00 0.00 O ATOM 718 CB ILE A 52 70.677 -1.411 15.915 1.00 0.00 C ATOM 719 CG1 ILE A 52 70.507 -1.960 14.490 1.00 0.00 C ATOM 720 CG2 ILE A 52 71.870 -0.444 15.926 1.00 0.00 C ATOM 721 CD1 ILE A 52 69.946 -0.864 13.578 1.00 0.00 C ATOM 0 H ILE A 52 68.861 -3.060 17.172 1.00 0.00 H new ATOM 0 HA ILE A 52 71.853 -3.089 16.671 1.00 0.00 H new ATOM 0 HB ILE A 52 69.770 -0.888 16.219 1.00 0.00 H new ATOM 0 HG12 ILE A 52 71.466 -2.309 14.108 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.836 -2.819 14.498 1.00 0.00 H new ATOM 0 HG21 ILE A 52 71.686 0.368 15.223 1.00 0.00 H new ATOM 0 HG22 ILE A 52 71.997 -0.035 16.928 1.00 0.00 H new ATOM 0 HG23 ILE A 52 72.774 -0.978 15.635 1.00 0.00 H new ATOM 0 HD11 ILE A 52 69.827 -1.257 12.568 1.00 0.00 H new ATOM 0 HD12 ILE A 52 68.978 -0.536 13.956 1.00 0.00 H new ATOM 0 HD13 ILE A 52 70.634 -0.019 13.560 1.00 0.00 H new ATOM 733 N LEU A 53 72.206 -2.236 18.959 1.00 0.00 N ATOM 734 CA LEU A 53 72.486 -1.688 20.338 1.00 0.00 C ATOM 735 C LEU A 53 71.381 -2.068 21.339 1.00 0.00 C ATOM 736 O LEU A 53 71.083 -1.318 22.253 1.00 0.00 O ATOM 737 CB LEU A 53 72.565 -0.164 20.172 1.00 0.00 C ATOM 738 CG LEU A 53 73.776 0.197 19.310 1.00 0.00 C ATOM 739 CD1 LEU A 53 73.613 1.620 18.772 1.00 0.00 C ATOM 740 CD2 LEU A 53 75.048 0.117 20.157 1.00 0.00 C ATOM 0 H LEU A 53 72.982 -2.758 18.552 1.00 0.00 H new ATOM 0 HA LEU A 53 73.410 -2.103 20.740 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.652 0.209 19.708 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.645 0.314 21.148 1.00 0.00 H new ATOM 0 HG LEU A 53 73.849 -0.502 18.477 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.476 1.878 18.158 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.707 1.679 18.169 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.540 2.318 19.606 1.00 0.00 H new ATOM 0 HD21 LEU A 53 75.911 0.374 19.543 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.975 0.816 20.990 1.00 0.00 H new ATOM 0 HD23 LEU A 53 75.166 -0.896 20.542 1.00 0.00 H new ATOM 752 N GLY A 54 70.783 -3.225 21.162 1.00 0.00 N ATOM 753 CA GLY A 54 69.731 -3.700 22.114 1.00 0.00 C ATOM 754 C GLY A 54 68.397 -2.983 21.846 1.00 0.00 C ATOM 755 O GLY A 54 67.568 -2.882 22.735 1.00 0.00 O ATOM 0 H GLY A 54 70.982 -3.864 20.392 1.00 0.00 H new ATOM 0 HA2 GLY A 54 69.599 -4.777 22.011 1.00 0.00 H new ATOM 0 HA3 GLY A 54 70.050 -3.515 23.140 1.00 0.00 H new ATOM 759 N LYS A 55 68.183 -2.489 20.641 1.00 0.00 N ATOM 760 CA LYS A 55 66.905 -1.781 20.318 1.00 0.00 C ATOM 761 C LYS A 55 66.347 -2.288 18.984 1.00 0.00 C ATOM 762 O LYS A 55 67.065 -2.369 18.002 1.00 0.00 O ATOM 763 CB LYS A 55 67.289 -0.303 20.213 1.00 0.00 C ATOM 764 CG LYS A 55 66.022 0.549 20.118 1.00 0.00 C ATOM 765 CD LYS A 55 66.409 2.021 19.958 1.00 0.00 C ATOM 766 CE LYS A 55 65.153 2.891 20.043 1.00 0.00 C ATOM 767 NZ LYS A 55 65.653 4.252 20.383 1.00 0.00 N ATOM 0 H LYS A 55 68.846 -2.549 19.868 1.00 0.00 H new ATOM 0 HA LYS A 55 66.134 -1.949 21.070 1.00 0.00 H new ATOM 0 HB2 LYS A 55 67.875 -0.006 21.083 1.00 0.00 H new ATOM 0 HB3 LYS A 55 67.916 -0.141 19.336 1.00 0.00 H new ATOM 0 HG2 LYS A 55 65.417 0.227 19.271 1.00 0.00 H new ATOM 0 HG3 LYS A 55 65.414 0.417 21.013 1.00 0.00 H new ATOM 0 HD2 LYS A 55 67.117 2.309 20.735 1.00 0.00 H new ATOM 0 HD3 LYS A 55 66.907 2.175 19.001 1.00 0.00 H new ATOM 0 HE2 LYS A 55 64.610 2.894 19.098 1.00 0.00 H new ATOM 0 HE3 LYS A 55 64.466 2.521 20.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 64.850 4.908 20.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 66.160 4.219 21.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 66.299 4.581 19.637 1.00 0.00 H new ATOM 781 N GLU A 56 65.079 -2.628 18.953 1.00 0.00 N ATOM 782 CA GLU A 56 64.457 -3.158 17.695 1.00 0.00 C ATOM 783 C GLU A 56 64.086 -2.004 16.758 1.00 0.00 C ATOM 784 O GLU A 56 63.408 -1.072 17.155 1.00 0.00 O ATOM 785 CB GLU A 56 63.196 -3.906 18.141 1.00 0.00 C ATOM 786 CG GLU A 56 62.632 -4.704 16.964 1.00 0.00 C ATOM 787 CD GLU A 56 61.303 -5.345 17.368 1.00 0.00 C ATOM 788 OE1 GLU A 56 60.493 -4.657 17.968 1.00 0.00 O ATOM 789 OE2 GLU A 56 61.117 -6.514 17.071 1.00 0.00 O ATOM 0 H GLU A 56 64.445 -2.561 19.749 1.00 0.00 H new ATOM 0 HA GLU A 56 65.141 -3.809 17.150 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.431 -4.575 18.968 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.451 -3.199 18.505 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.485 -4.049 16.105 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.341 -5.474 16.661 1.00 0.00 H new ATOM 796 N VAL A 57 64.529 -2.067 15.522 1.00 0.00 N ATOM 797 CA VAL A 57 64.107 -1.060 14.494 1.00 0.00 C ATOM 798 C VAL A 57 63.556 -1.781 13.252 1.00 0.00 C ATOM 799 O VAL A 57 64.152 -2.725 12.762 1.00 0.00 O ATOM 800 CB VAL A 57 65.377 -0.235 14.177 1.00 0.00 C ATOM 801 CG1 VAL A 57 66.504 -1.134 13.656 1.00 0.00 C ATOM 802 CG2 VAL A 57 65.061 0.835 13.123 1.00 0.00 C ATOM 0 H VAL A 57 65.172 -2.781 15.179 1.00 0.00 H new ATOM 0 HA VAL A 57 63.307 -0.408 14.845 1.00 0.00 H new ATOM 0 HB VAL A 57 65.705 0.240 15.101 1.00 0.00 H new ATOM 0 HG11 VAL A 57 67.384 -0.527 13.442 1.00 0.00 H new ATOM 0 HG12 VAL A 57 66.753 -1.880 14.411 1.00 0.00 H new ATOM 0 HG13 VAL A 57 66.178 -1.635 12.745 1.00 0.00 H new ATOM 0 HG21 VAL A 57 65.961 1.410 12.907 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.710 0.354 12.210 1.00 0.00 H new ATOM 0 HG23 VAL A 57 64.287 1.502 13.502 1.00 0.00 H new ATOM 812 N LYS A 58 62.422 -1.336 12.757 1.00 0.00 N ATOM 813 CA LYS A 58 61.835 -1.932 11.515 1.00 0.00 C ATOM 814 C LYS A 58 62.224 -1.103 10.288 1.00 0.00 C ATOM 815 O LYS A 58 62.178 0.115 10.318 1.00 0.00 O ATOM 816 CB LYS A 58 60.320 -1.885 11.729 1.00 0.00 C ATOM 817 CG LYS A 58 59.930 -2.852 12.850 1.00 0.00 C ATOM 818 CD LYS A 58 58.406 -2.904 12.972 1.00 0.00 C ATOM 819 CE LYS A 58 58.018 -3.812 14.142 1.00 0.00 C ATOM 820 NZ LYS A 58 56.594 -3.485 14.425 1.00 0.00 N ATOM 0 H LYS A 58 61.875 -0.578 13.166 1.00 0.00 H new ATOM 0 HA LYS A 58 62.194 -2.946 11.340 1.00 0.00 H new ATOM 0 HB2 LYS A 58 60.010 -0.872 11.985 1.00 0.00 H new ATOM 0 HB3 LYS A 58 59.804 -2.153 10.807 1.00 0.00 H new ATOM 0 HG2 LYS A 58 60.323 -3.847 12.640 1.00 0.00 H new ATOM 0 HG3 LYS A 58 60.370 -2.529 13.793 1.00 0.00 H new ATOM 0 HD2 LYS A 58 58.009 -1.901 13.129 1.00 0.00 H new ATOM 0 HD3 LYS A 58 57.969 -3.279 12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 58 58.138 -4.864 13.882 1.00 0.00 H new ATOM 0 HE3 LYS A 58 58.647 -3.625 15.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 56.255 -4.068 15.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 56.512 -2.479 14.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 56.019 -3.679 13.581 1.00 0.00 H new ATOM 834 N PHE A 59 62.605 -1.759 9.215 1.00 0.00 N ATOM 835 CA PHE A 59 62.965 -1.039 7.954 1.00 0.00 C ATOM 836 C PHE A 59 62.107 -1.545 6.792 1.00 0.00 C ATOM 837 O PHE A 59 61.970 -2.740 6.596 1.00 0.00 O ATOM 838 CB PHE A 59 64.436 -1.376 7.708 1.00 0.00 C ATOM 839 CG PHE A 59 65.396 -0.572 8.552 1.00 0.00 C ATOM 840 CD1 PHE A 59 65.667 0.792 8.223 1.00 0.00 C ATOM 841 CD2 PHE A 59 66.043 -1.178 9.673 1.00 0.00 C ATOM 842 CE1 PHE A 59 66.581 1.551 9.019 1.00 0.00 C ATOM 843 CE2 PHE A 59 66.957 -0.420 10.466 1.00 0.00 C ATOM 844 CZ PHE A 59 67.226 0.943 10.140 1.00 0.00 C ATOM 0 H PHE A 59 62.682 -2.775 9.161 1.00 0.00 H new ATOM 0 HA PHE A 59 62.798 0.035 8.034 1.00 0.00 H new ATOM 0 HB2 PHE A 59 64.594 -2.436 7.905 1.00 0.00 H new ATOM 0 HB3 PHE A 59 64.666 -1.210 6.655 1.00 0.00 H new ATOM 0 HD1 PHE A 59 65.182 1.249 7.374 1.00 0.00 H new ATOM 0 HD2 PHE A 59 65.841 -2.210 9.920 1.00 0.00 H new ATOM 0 HE1 PHE A 59 66.784 2.583 8.773 1.00 0.00 H new ATOM 0 HE2 PHE A 59 67.445 -0.879 11.313 1.00 0.00 H new ATOM 0 HZ PHE A 59 67.917 1.515 10.741 1.00 0.00 H new ATOM 854 N LYS A 60 61.532 -0.641 6.030 1.00 0.00 N ATOM 855 CA LYS A 60 60.779 -1.040 4.801 1.00 0.00 C ATOM 856 C LYS A 60 61.607 -0.731 3.549 1.00 0.00 C ATOM 857 O LYS A 60 62.288 0.277 3.487 1.00 0.00 O ATOM 858 CB LYS A 60 59.505 -0.193 4.818 1.00 0.00 C ATOM 859 CG LYS A 60 58.543 -0.701 3.742 1.00 0.00 C ATOM 860 CD LYS A 60 57.305 0.196 3.692 1.00 0.00 C ATOM 861 CE LYS A 60 56.365 -0.297 2.589 1.00 0.00 C ATOM 862 NZ LYS A 60 55.010 0.156 3.010 1.00 0.00 N ATOM 0 H LYS A 60 61.554 0.363 6.211 1.00 0.00 H new ATOM 0 HA LYS A 60 60.559 -2.107 4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 60 59.032 -0.247 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 60 59.749 0.854 4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 60 59.039 -0.708 2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 60 58.251 -1.729 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 60 56.793 0.182 4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 60 57.598 1.228 3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 60 56.638 0.122 1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 60 56.406 -1.382 2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 54.308 -0.144 2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 54.775 -0.264 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 55.000 1.193 3.089 1.00 0.00 H new ATOM 876 N VAL A 61 61.547 -1.597 2.561 1.00 0.00 N ATOM 877 CA VAL A 61 62.267 -1.345 1.270 1.00 0.00 C ATOM 878 C VAL A 61 61.377 -0.492 0.359 1.00 0.00 C ATOM 879 O VAL A 61 60.323 -0.930 -0.066 1.00 0.00 O ATOM 880 CB VAL A 61 62.529 -2.734 0.650 1.00 0.00 C ATOM 881 CG1 VAL A 61 63.304 -2.588 -0.667 1.00 0.00 C ATOM 882 CG2 VAL A 61 63.362 -3.595 1.609 1.00 0.00 C ATOM 0 H VAL A 61 61.026 -2.473 2.595 1.00 0.00 H new ATOM 0 HA VAL A 61 63.204 -0.807 1.412 1.00 0.00 H new ATOM 0 HB VAL A 61 61.566 -3.210 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 61 63.483 -3.574 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 61 62.722 -1.989 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 61 64.258 -2.097 -0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 61 63.540 -4.572 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 61 64.317 -3.105 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.822 -3.720 2.548 1.00 0.00 H new ATOM 892 N VAL A 62 61.806 0.713 0.060 1.00 0.00 N ATOM 893 CA VAL A 62 60.935 1.673 -0.695 1.00 0.00 C ATOM 894 C VAL A 62 60.982 1.327 -2.187 1.00 0.00 C ATOM 895 O VAL A 62 59.965 1.339 -2.860 1.00 0.00 O ATOM 896 CB VAL A 62 61.515 3.080 -0.433 1.00 0.00 C ATOM 897 CG1 VAL A 62 60.666 4.145 -1.140 1.00 0.00 C ATOM 898 CG2 VAL A 62 61.514 3.379 1.072 1.00 0.00 C ATOM 0 H VAL A 62 62.727 1.075 0.308 1.00 0.00 H new ATOM 0 HA VAL A 62 59.893 1.625 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 62 62.535 3.104 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 62 61.086 5.132 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 62 60.664 3.955 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 62 59.644 4.105 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 62 61.925 4.374 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.493 3.337 1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 62 62.124 2.639 1.590 1.00 0.00 H new ATOM 908 N GLN A 63 62.156 1.022 -2.698 1.00 0.00 N ATOM 909 CA GLN A 63 62.293 0.661 -4.147 1.00 0.00 C ATOM 910 C GLN A 63 63.654 0.012 -4.412 1.00 0.00 C ATOM 911 O GLN A 63 64.676 0.495 -3.957 1.00 0.00 O ATOM 912 CB GLN A 63 62.180 1.983 -4.910 1.00 0.00 C ATOM 913 CG GLN A 63 61.966 1.697 -6.398 1.00 0.00 C ATOM 914 CD GLN A 63 61.378 2.936 -7.075 1.00 0.00 C ATOM 915 OE1 GLN A 63 61.774 4.047 -6.786 1.00 0.00 O ATOM 916 NE2 GLN A 63 60.441 2.792 -7.972 1.00 0.00 N ATOM 0 H GLN A 63 63.028 1.008 -2.169 1.00 0.00 H new ATOM 0 HA GLN A 63 61.532 -0.055 -4.457 1.00 0.00 H new ATOM 0 HB2 GLN A 63 61.350 2.571 -4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 63 63.084 2.575 -4.769 1.00 0.00 H new ATOM 0 HG2 GLN A 63 62.912 1.427 -6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 63 61.294 0.848 -6.523 1.00 0.00 H new ATOM 0 HE21 GLN A 63 60.107 1.859 -8.216 1.00 0.00 H new ATOM 0 HE22 GLN A 63 60.042 3.612 -8.429 1.00 0.00 H new ATOM 925 N ALA A 64 63.663 -1.081 -5.145 1.00 0.00 N ATOM 926 CA ALA A 64 64.949 -1.699 -5.591 1.00 0.00 C ATOM 927 C ALA A 64 65.199 -1.377 -7.068 1.00 0.00 C ATOM 928 O ALA A 64 64.307 -1.491 -7.889 1.00 0.00 O ATOM 929 CB ALA A 64 64.753 -3.203 -5.398 1.00 0.00 C ATOM 0 H ALA A 64 62.824 -1.572 -5.454 1.00 0.00 H new ATOM 0 HA ALA A 64 65.806 -1.325 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 64 65.657 -3.730 -5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 64 64.550 -3.412 -4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 64 63.913 -3.541 -6.004 1.00 0.00 H new ATOM 935 N TYR A 65 66.405 -0.974 -7.400 1.00 0.00 N ATOM 936 CA TYR A 65 66.742 -0.639 -8.820 1.00 0.00 C ATOM 937 C TYR A 65 68.029 -1.377 -9.248 1.00 0.00 C ATOM 938 O TYR A 65 69.054 -1.161 -8.634 1.00 0.00 O ATOM 939 CB TYR A 65 66.977 0.874 -8.816 1.00 0.00 C ATOM 940 CG TYR A 65 65.718 1.680 -9.026 1.00 0.00 C ATOM 941 CD1 TYR A 65 64.877 1.412 -10.149 1.00 0.00 C ATOM 942 CD2 TYR A 65 65.369 2.714 -8.103 1.00 0.00 C ATOM 943 CE1 TYR A 65 63.686 2.176 -10.350 1.00 0.00 C ATOM 944 CE2 TYR A 65 64.178 3.479 -8.303 1.00 0.00 C ATOM 945 CZ TYR A 65 63.337 3.210 -9.427 1.00 0.00 C ATOM 946 OH TYR A 65 62.188 3.949 -9.620 1.00 0.00 O ATOM 0 H TYR A 65 67.175 -0.863 -6.741 1.00 0.00 H new ATOM 0 HA TYR A 65 65.956 -0.935 -9.515 1.00 0.00 H new ATOM 0 HB2 TYR A 65 67.428 1.161 -7.866 1.00 0.00 H new ATOM 0 HB3 TYR A 65 67.694 1.124 -9.598 1.00 0.00 H new ATOM 0 HD1 TYR A 65 65.141 0.631 -10.847 1.00 0.00 H new ATOM 0 HD2 TYR A 65 66.005 2.917 -7.254 1.00 0.00 H new ATOM 0 HE1 TYR A 65 63.050 1.972 -11.199 1.00 0.00 H new ATOM 0 HE2 TYR A 65 63.914 4.260 -7.605 1.00 0.00 H new ATOM 0 HH TYR A 65 62.082 4.588 -8.884 1.00 0.00 H new ATOM 956 N PRO A 66 67.991 -2.224 -10.272 1.00 0.00 N ATOM 957 CA PRO A 66 66.737 -2.832 -10.832 1.00 0.00 C ATOM 958 C PRO A 66 66.212 -3.921 -9.893 1.00 0.00 C ATOM 959 O PRO A 66 66.934 -4.395 -9.036 1.00 0.00 O ATOM 960 CB PRO A 66 67.205 -3.443 -12.152 1.00 0.00 C ATOM 961 CG PRO A 66 68.641 -3.765 -11.919 1.00 0.00 C ATOM 962 CD PRO A 66 69.175 -2.696 -11.006 1.00 0.00 C ATOM 0 HA PRO A 66 65.926 -2.114 -10.956 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.632 -4.336 -12.402 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.083 -2.744 -12.979 1.00 0.00 H new ATOM 0 HG2 PRO A 66 68.749 -4.751 -11.467 1.00 0.00 H new ATOM 0 HG3 PRO A 66 69.192 -3.783 -12.859 1.00 0.00 H new ATOM 0 HD2 PRO A 66 69.932 -3.092 -10.329 1.00 0.00 H new ATOM 0 HD3 PRO A 66 69.643 -1.888 -11.569 1.00 0.00 H new ATOM 970 N SER A 67 64.971 -4.317 -10.054 1.00 0.00 N ATOM 971 CA SER A 67 64.399 -5.404 -9.198 1.00 0.00 C ATOM 972 C SER A 67 64.359 -6.730 -9.989 1.00 0.00 C ATOM 973 O SER A 67 64.110 -6.699 -11.178 1.00 0.00 O ATOM 974 CB SER A 67 62.979 -4.942 -8.869 1.00 0.00 C ATOM 975 OG SER A 67 63.028 -3.659 -8.263 1.00 0.00 O ATOM 0 H SER A 67 64.327 -3.932 -10.745 1.00 0.00 H new ATOM 0 HA SER A 67 64.991 -5.579 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 67 62.378 -4.904 -9.777 1.00 0.00 H new ATOM 0 HB3 SER A 67 62.499 -5.655 -8.198 1.00 0.00 H new ATOM 0 HG SER A 67 63.956 -3.345 -8.237 1.00 0.00 H new ATOM 981 N PRO A 68 64.599 -7.868 -9.347 1.00 0.00 N ATOM 982 CA PRO A 68 65.310 -7.961 -8.028 1.00 0.00 C ATOM 983 C PRO A 68 66.805 -7.672 -8.200 1.00 0.00 C ATOM 984 O PRO A 68 67.331 -7.753 -9.297 1.00 0.00 O ATOM 985 CB PRO A 68 65.087 -9.412 -7.606 1.00 0.00 C ATOM 986 CG PRO A 68 64.910 -10.146 -8.890 1.00 0.00 C ATOM 987 CD PRO A 68 64.206 -9.203 -9.825 1.00 0.00 C ATOM 0 HA PRO A 68 64.944 -7.243 -7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 68 65.936 -9.797 -7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 68 64.209 -9.510 -6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 68 65.873 -10.451 -9.299 1.00 0.00 H new ATOM 0 HG3 PRO A 68 64.325 -11.054 -8.741 1.00 0.00 H new ATOM 0 HD2 PRO A 68 64.513 -9.363 -10.859 1.00 0.00 H new ATOM 0 HD3 PRO A 68 63.125 -9.338 -9.789 1.00 0.00 H new ATOM 995 N LEU A 69 67.482 -7.335 -7.125 1.00 0.00 N ATOM 996 CA LEU A 69 68.976 -7.228 -7.161 1.00 0.00 C ATOM 997 C LEU A 69 69.584 -7.725 -5.842 1.00 0.00 C ATOM 998 O LEU A 69 68.928 -7.717 -4.816 1.00 0.00 O ATOM 999 CB LEU A 69 69.287 -5.740 -7.401 1.00 0.00 C ATOM 1000 CG LEU A 69 68.740 -4.859 -6.259 1.00 0.00 C ATOM 1001 CD1 LEU A 69 69.796 -4.741 -5.150 1.00 0.00 C ATOM 1002 CD2 LEU A 69 68.387 -3.457 -6.791 1.00 0.00 C ATOM 0 H LEU A 69 67.060 -7.129 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 69 69.408 -7.847 -7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 69 70.365 -5.601 -7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 69 68.850 -5.424 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 69 67.838 -5.320 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.409 -4.118 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.029 -5.733 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.701 -4.288 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.002 -2.845 -5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 69 69.280 -2.990 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.629 -3.543 -7.569 1.00 0.00 H new ATOM 1014 N ARG A 70 70.824 -8.156 -5.876 1.00 0.00 N ATOM 1015 CA ARG A 70 71.558 -8.476 -4.611 1.00 0.00 C ATOM 1016 C ARG A 70 72.325 -7.243 -4.129 1.00 0.00 C ATOM 1017 O ARG A 70 72.850 -6.484 -4.926 1.00 0.00 O ATOM 1018 CB ARG A 70 72.526 -9.610 -4.970 1.00 0.00 C ATOM 1019 CG ARG A 70 71.851 -10.964 -4.737 1.00 0.00 C ATOM 1020 CD ARG A 70 72.588 -12.046 -5.528 1.00 0.00 C ATOM 1021 NE ARG A 70 71.845 -13.313 -5.234 1.00 0.00 N ATOM 1022 CZ ARG A 70 70.690 -13.606 -5.808 1.00 0.00 C ATOM 1023 NH1 ARG A 70 70.110 -12.809 -6.680 1.00 0.00 N ATOM 1024 NH2 ARG A 70 70.103 -14.729 -5.498 1.00 0.00 N ATOM 0 H ARG A 70 71.361 -8.300 -6.731 1.00 0.00 H new ATOM 0 HA ARG A 70 70.883 -8.771 -3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 70 72.833 -9.521 -6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 70 73.429 -9.535 -4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 70 71.858 -11.207 -3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 70 70.807 -10.920 -5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 70 72.586 -11.825 -6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 70 73.631 -12.119 -5.220 1.00 0.00 H new ATOM 0 HE ARG A 70 72.244 -13.974 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 70 70.552 -11.926 -6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 70 69.219 -13.074 -7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 70 70.535 -15.362 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 70 69.212 -14.974 -5.929 1.00 0.00 H new ATOM 1038 N VAL A 71 72.390 -7.050 -2.831 1.00 0.00 N ATOM 1039 CA VAL A 71 73.105 -5.858 -2.266 1.00 0.00 C ATOM 1040 C VAL A 71 74.609 -6.157 -2.205 1.00 0.00 C ATOM 1041 O VAL A 71 75.019 -7.177 -1.680 1.00 0.00 O ATOM 1042 CB VAL A 71 72.515 -5.637 -0.856 1.00 0.00 C ATOM 1043 CG1 VAL A 71 73.182 -4.431 -0.182 1.00 0.00 C ATOM 1044 CG2 VAL A 71 71.009 -5.368 -0.955 1.00 0.00 C ATOM 0 H VAL A 71 71.976 -7.670 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 71 72.977 -4.963 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 71 72.697 -6.535 -0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 71 72.756 -4.287 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 71 74.254 -4.610 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 71 73.011 -3.538 -0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 71 70.601 -5.213 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 71 70.837 -4.477 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 71 70.517 -6.222 -1.420 1.00 0.00 H new ATOM 1054 N GLU A 72 75.419 -5.271 -2.741 1.00 0.00 N ATOM 1055 CA GLU A 72 76.898 -5.487 -2.757 1.00 0.00 C ATOM 1056 C GLU A 72 77.620 -4.234 -2.253 1.00 0.00 C ATOM 1057 O GLU A 72 77.029 -3.171 -2.161 1.00 0.00 O ATOM 1058 CB GLU A 72 77.239 -5.754 -4.225 1.00 0.00 C ATOM 1059 CG GLU A 72 78.686 -6.239 -4.338 1.00 0.00 C ATOM 1060 CD GLU A 72 78.992 -6.596 -5.794 1.00 0.00 C ATOM 1061 OE1 GLU A 72 78.641 -5.814 -6.662 1.00 0.00 O ATOM 1062 OE2 GLU A 72 79.575 -7.645 -6.016 1.00 0.00 O ATOM 0 H GLU A 72 75.111 -4.399 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 72 77.206 -6.309 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 72 76.561 -6.502 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 72 77.103 -4.845 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 72 79.369 -5.463 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 72 78.840 -7.108 -3.699 1.00 0.00 H new ATOM 1069 N ASP A 73 78.890 -4.356 -1.927 1.00 0.00 N ATOM 1070 CA ASP A 73 79.695 -3.164 -1.474 1.00 0.00 C ATOM 1071 C ASP A 73 79.729 -2.074 -2.556 1.00 0.00 C ATOM 1072 O ASP A 73 79.862 -0.901 -2.252 1.00 0.00 O ATOM 1073 CB ASP A 73 81.111 -3.690 -1.214 1.00 0.00 C ATOM 1074 CG ASP A 73 81.928 -2.622 -0.482 1.00 0.00 C ATOM 1075 OD1 ASP A 73 81.816 -2.546 0.731 1.00 0.00 O ATOM 1076 OD2 ASP A 73 82.651 -1.899 -1.146 1.00 0.00 O ATOM 0 H ASP A 73 79.408 -5.234 -1.955 1.00 0.00 H new ATOM 0 HA ASP A 73 79.256 -2.712 -0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 73 81.068 -4.601 -0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 73 81.593 -3.948 -2.157 1.00 0.00 H new ATOM 1081 N ARG A 74 79.611 -2.460 -3.809 1.00 0.00 N ATOM 1082 CA ARG A 74 79.554 -1.454 -4.922 1.00 0.00 C ATOM 1083 C ARG A 74 78.141 -0.870 -5.077 1.00 0.00 C ATOM 1084 O ARG A 74 77.977 0.195 -5.646 1.00 0.00 O ATOM 1085 CB ARG A 74 79.954 -2.217 -6.190 1.00 0.00 C ATOM 1086 CG ARG A 74 81.418 -2.652 -6.089 1.00 0.00 C ATOM 1087 CD ARG A 74 81.834 -3.350 -7.388 1.00 0.00 C ATOM 1088 NE ARG A 74 83.186 -3.947 -7.114 1.00 0.00 N ATOM 1089 CZ ARG A 74 83.662 -4.967 -7.809 1.00 0.00 C ATOM 1090 NH1 ARG A 74 83.001 -5.522 -8.801 1.00 0.00 N ATOM 1091 NH2 ARG A 74 84.841 -5.436 -7.502 1.00 0.00 N ATOM 0 H ARG A 74 79.552 -3.433 -4.109 1.00 0.00 H new ATOM 0 HA ARG A 74 80.217 -0.612 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 74 79.313 -3.089 -6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 74 79.812 -1.585 -7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 74 82.054 -1.786 -5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 74 81.551 -3.326 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 74 81.115 -4.120 -7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 74 81.879 -2.642 -8.216 1.00 0.00 H new ATOM 0 HE ARG A 74 83.756 -3.552 -6.366 1.00 0.00 H new ATOM 0 HH11 ARG A 74 82.081 -5.167 -9.063 1.00 0.00 H new ATOM 0 HH12 ARG A 74 83.408 -6.307 -9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 74 85.374 -5.017 -6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 74 85.229 -6.222 -8.024 1.00 0.00 H new ATOM 1105 N THR A 75 77.127 -1.554 -4.580 1.00 0.00 N ATOM 1106 CA THR A 75 75.729 -1.009 -4.650 1.00 0.00 C ATOM 1107 C THR A 75 75.569 0.153 -3.666 1.00 0.00 C ATOM 1108 O THR A 75 75.914 0.035 -2.503 1.00 0.00 O ATOM 1109 CB THR A 75 74.806 -2.170 -4.261 1.00 0.00 C ATOM 1110 OG1 THR A 75 75.145 -3.319 -5.024 1.00 0.00 O ATOM 1111 CG2 THR A 75 73.351 -1.785 -4.534 1.00 0.00 C ATOM 0 H THR A 75 77.211 -2.465 -4.130 1.00 0.00 H new ATOM 0 HA THR A 75 75.493 -0.629 -5.644 1.00 0.00 H new ATOM 0 HB THR A 75 74.927 -2.389 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.772 -3.234 -5.926 1.00 0.00 H new ATOM 0 HG21 THR A 75 72.698 -2.612 -4.257 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.091 -0.904 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.226 -1.564 -5.594 1.00 0.00 H new ATOM 1119 N LYS A 76 75.048 1.268 -4.131 1.00 0.00 N ATOM 1120 CA LYS A 76 74.869 2.461 -3.243 1.00 0.00 C ATOM 1121 C LYS A 76 73.497 2.418 -2.565 1.00 0.00 C ATOM 1122 O LYS A 76 72.520 2.000 -3.160 1.00 0.00 O ATOM 1123 CB LYS A 76 74.970 3.675 -4.171 1.00 0.00 C ATOM 1124 CG LYS A 76 76.404 3.804 -4.688 1.00 0.00 C ATOM 1125 CD LYS A 76 76.589 5.169 -5.355 1.00 0.00 C ATOM 1126 CE LYS A 76 75.853 5.189 -6.695 1.00 0.00 C ATOM 1127 NZ LYS A 76 76.010 6.583 -7.198 1.00 0.00 N ATOM 0 H LYS A 76 74.738 1.401 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 76 75.615 2.494 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 76 74.279 3.566 -5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 76 74.682 4.580 -3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 76 77.109 3.692 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.617 3.008 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 76 76.206 5.957 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 76 77.649 5.370 -5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 76 76.280 4.467 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 76 74.802 4.929 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 75.531 6.677 -8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 75.588 7.247 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 77.021 6.799 -7.312 1.00 0.00 H new ATOM 1141 N ILE A 77 73.423 2.849 -1.324 1.00 0.00 N ATOM 1142 CA ILE A 77 72.118 2.845 -0.583 1.00 0.00 C ATOM 1143 C ILE A 77 71.839 4.254 -0.039 1.00 0.00 C ATOM 1144 O ILE A 77 72.736 4.926 0.440 1.00 0.00 O ATOM 1145 CB ILE A 77 72.291 1.821 0.559 1.00 0.00 C ATOM 1146 CG1 ILE A 77 72.586 0.432 -0.026 1.00 0.00 C ATOM 1147 CG2 ILE A 77 71.007 1.736 1.395 1.00 0.00 C ATOM 1148 CD1 ILE A 77 73.075 -0.501 1.084 1.00 0.00 C ATOM 0 H ILE A 77 74.216 3.205 -0.791 1.00 0.00 H new ATOM 0 HA ILE A 77 71.273 2.574 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 77 73.119 2.145 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 77 71.688 0.023 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 77 73.341 0.509 -0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 77 71.142 1.010 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 77 70.787 2.714 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 77 70.179 1.424 0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 77 73.283 -1.486 0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 77 73.984 -0.095 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 77 72.306 -0.588 1.851 1.00 0.00 H new ATOM 1160 N THR A 78 70.601 4.689 -0.115 1.00 0.00 N ATOM 1161 CA THR A 78 70.236 6.064 0.349 1.00 0.00 C ATOM 1162 C THR A 78 69.092 5.997 1.365 1.00 0.00 C ATOM 1163 O THR A 78 68.175 5.206 1.220 1.00 0.00 O ATOM 1164 CB THR A 78 69.788 6.801 -0.914 1.00 0.00 C ATOM 1165 OG1 THR A 78 70.761 6.626 -1.933 1.00 0.00 O ATOM 1166 CG2 THR A 78 69.629 8.291 -0.608 1.00 0.00 C ATOM 0 H THR A 78 69.822 4.143 -0.483 1.00 0.00 H new ATOM 0 HA THR A 78 71.068 6.566 0.843 1.00 0.00 H new ATOM 0 HB THR A 78 68.833 6.398 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 78 70.474 7.096 -2.743 1.00 0.00 H new ATOM 0 HG21 THR A 78 69.310 8.815 -1.509 1.00 0.00 H new ATOM 0 HG22 THR A 78 68.881 8.424 0.174 1.00 0.00 H new ATOM 0 HG23 THR A 78 70.583 8.697 -0.271 1.00 0.00 H new ATOM 1174 N LEU A 79 69.148 6.824 2.387 1.00 0.00 N ATOM 1175 CA LEU A 79 68.062 6.849 3.417 1.00 0.00 C ATOM 1176 C LEU A 79 67.087 7.995 3.131 1.00 0.00 C ATOM 1177 O LEU A 79 67.471 9.150 3.112 1.00 0.00 O ATOM 1178 CB LEU A 79 68.783 7.076 4.746 1.00 0.00 C ATOM 1179 CG LEU A 79 69.610 5.838 5.098 1.00 0.00 C ATOM 1180 CD1 LEU A 79 70.657 6.204 6.152 1.00 0.00 C ATOM 1181 CD2 LEU A 79 68.689 4.751 5.655 1.00 0.00 C ATOM 0 H LEU A 79 69.906 7.486 2.550 1.00 0.00 H new ATOM 0 HA LEU A 79 67.476 5.930 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 79 69.430 7.950 4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 79 68.058 7.278 5.535 1.00 0.00 H new ATOM 0 HG LEU A 79 70.109 5.470 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 79 71.246 5.321 6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.315 6.979 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 79 70.158 6.573 7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 79 69.278 3.869 5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 79 68.190 5.121 6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.942 4.488 4.906 1.00 0.00 H new ATOM 1193 N VAL A 80 65.831 7.672 2.912 1.00 0.00 N ATOM 1194 CA VAL A 80 64.798 8.723 2.643 1.00 0.00 C ATOM 1195 C VAL A 80 64.054 9.049 3.945 1.00 0.00 C ATOM 1196 O VAL A 80 63.781 8.171 4.744 1.00 0.00 O ATOM 1197 CB VAL A 80 63.844 8.107 1.598 1.00 0.00 C ATOM 1198 CG1 VAL A 80 62.726 9.098 1.246 1.00 0.00 C ATOM 1199 CG2 VAL A 80 64.616 7.772 0.315 1.00 0.00 C ATOM 0 H VAL A 80 65.477 6.716 2.909 1.00 0.00 H new ATOM 0 HA VAL A 80 65.231 9.653 2.276 1.00 0.00 H new ATOM 0 HB VAL A 80 63.413 7.201 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 80 62.061 8.649 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 80 62.159 9.341 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.163 10.008 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.935 7.338 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 80 65.055 8.682 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 80 65.407 7.058 0.543 1.00 0.00 H new