USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 20 LYS NZ :NH3+ -118:sc= 0.59 (180deg=0) USER MOD Set 1.2: A 88 THR OG1 : rot -91:sc= 1.25 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 43:sc= 0.0988 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00907 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.013) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 78 HIS : no HE2:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.23) USER MOD Single : A 84 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 87 ASN : amide:sc= -0.0336 K(o=-0.034,f=-0.95) USER MOD Single : A 90 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.0033) USER MOD Single : A 98 LYS NZ :NH3+ -141:sc= 1.23 (180deg=-0.875) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 25.488 38.504 18.171 1.00 0.00 N ATOM 45 CA ASP A 12 26.685 38.835 17.461 1.00 0.00 C ATOM 46 C ASP A 12 27.565 37.635 17.391 1.00 0.00 C ATOM 47 O ASP A 12 27.746 36.945 18.394 1.00 0.00 O ATOM 48 CB ASP A 12 27.325 40.017 18.208 1.00 0.00 C ATOM 49 CG ASP A 12 28.236 40.887 17.353 1.00 0.00 C ATOM 50 OD1 ASP A 12 28.535 40.528 16.183 1.00 0.00 O ATOM 51 OD2 ASP A 12 28.633 41.981 17.837 1.00 0.00 O ATOM 0 HA ASP A 12 26.497 39.131 16.429 1.00 0.00 H new ATOM 0 HB2 ASP A 12 26.533 40.640 18.622 1.00 0.00 H new ATOM 0 HB3 ASP A 12 27.899 39.630 19.050 1.00 0.00 H new ATOM 56 N THR A 13 28.110 37.280 16.214 1.00 0.00 N ATOM 57 CA THR A 13 28.913 36.110 16.035 1.00 0.00 C ATOM 58 C THR A 13 30.369 36.419 15.987 1.00 0.00 C ATOM 59 O THR A 13 30.796 37.469 15.510 1.00 0.00 O ATOM 60 CB THR A 13 28.610 35.291 14.815 1.00 0.00 C ATOM 61 OG1 THR A 13 28.486 36.076 13.638 1.00 0.00 O ATOM 62 CG2 THR A 13 27.284 34.536 15.002 1.00 0.00 C ATOM 0 H THR A 13 27.988 37.824 15.360 1.00 0.00 H new ATOM 0 HA THR A 13 28.651 35.524 16.916 1.00 0.00 H new ATOM 0 HB THR A 13 29.451 34.608 14.696 1.00 0.00 H new ATOM 0 HG1 THR A 13 28.291 35.493 12.875 1.00 0.00 H new ATOM 0 HG21 THR A 13 27.073 33.945 14.111 1.00 0.00 H new ATOM 0 HG22 THR A 13 27.360 33.876 15.866 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.477 35.251 15.162 1.00 0.00 H new ATOM 70 N PHE A 14 31.212 35.466 16.426 1.00 0.00 N ATOM 71 CA PHE A 14 32.633 35.630 16.432 1.00 0.00 C ATOM 72 C PHE A 14 33.268 34.311 16.151 1.00 0.00 C ATOM 73 O PHE A 14 32.898 33.276 16.703 1.00 0.00 O ATOM 74 CB PHE A 14 33.266 36.185 17.718 1.00 0.00 C ATOM 75 CG PHE A 14 32.296 36.669 18.740 1.00 0.00 C ATOM 76 CD1 PHE A 14 31.739 37.922 18.643 1.00 0.00 C ATOM 77 CD2 PHE A 14 31.994 35.882 19.827 1.00 0.00 C ATOM 78 CE1 PHE A 14 30.899 38.393 19.624 1.00 0.00 C ATOM 79 CE2 PHE A 14 31.149 36.339 20.811 1.00 0.00 C ATOM 80 CZ PHE A 14 30.615 37.601 20.712 1.00 0.00 C ATOM 0 H PHE A 14 30.900 34.563 16.784 1.00 0.00 H new ATOM 0 HA PHE A 14 32.817 36.386 15.669 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.884 35.407 18.166 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.931 37.007 17.452 1.00 0.00 H new ATOM 0 HD1 PHE A 14 31.963 38.542 17.788 1.00 0.00 H new ATOM 0 HD2 PHE A 14 32.425 34.895 19.908 1.00 0.00 H new ATOM 0 HE1 PHE A 14 30.465 39.378 19.541 1.00 0.00 H new ATOM 0 HE2 PHE A 14 30.907 35.711 21.655 1.00 0.00 H new ATOM 0 HZ PHE A 14 29.969 37.973 21.493 1.00 0.00 H new ATOM 90 N GLU A 15 34.275 34.312 15.260 1.00 0.00 N ATOM 91 CA GLU A 15 35.094 33.185 14.936 1.00 0.00 C ATOM 92 C GLU A 15 36.292 33.166 15.822 1.00 0.00 C ATOM 93 O GLU A 15 37.078 34.112 15.861 1.00 0.00 O ATOM 94 CB GLU A 15 35.579 33.276 13.479 1.00 0.00 C ATOM 95 CG GLU A 15 34.488 33.213 12.408 1.00 0.00 C ATOM 96 CD GLU A 15 35.004 33.761 11.085 1.00 0.00 C ATOM 97 OE1 GLU A 15 36.027 33.248 10.558 1.00 0.00 O ATOM 98 OE2 GLU A 15 34.418 34.757 10.584 1.00 0.00 O ATOM 0 H GLU A 15 34.532 35.148 14.735 1.00 0.00 H new ATOM 0 HA GLU A 15 34.501 32.280 15.073 1.00 0.00 H new ATOM 0 HB2 GLU A 15 36.128 34.210 13.357 1.00 0.00 H new ATOM 0 HB3 GLU A 15 36.285 32.465 13.300 1.00 0.00 H new ATOM 0 HG2 GLU A 15 34.158 32.182 12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.620 33.787 12.732 1.00 0.00 H new ATOM 105 N VAL A 16 36.485 32.079 16.588 1.00 0.00 N ATOM 106 CA VAL A 16 37.594 31.912 17.475 1.00 0.00 C ATOM 107 C VAL A 16 38.600 31.039 16.805 1.00 0.00 C ATOM 108 O VAL A 16 38.442 29.824 16.694 1.00 0.00 O ATOM 109 CB VAL A 16 37.148 31.406 18.815 1.00 0.00 C ATOM 110 CG1 VAL A 16 38.292 30.849 19.678 1.00 0.00 C ATOM 111 CG2 VAL A 16 36.464 32.564 19.561 1.00 0.00 C ATOM 0 H VAL A 16 35.844 31.285 16.590 1.00 0.00 H new ATOM 0 HA VAL A 16 38.068 32.871 17.685 1.00 0.00 H new ATOM 0 HB VAL A 16 36.466 30.574 18.640 1.00 0.00 H new ATOM 0 HG11 VAL A 16 37.893 30.502 20.631 1.00 0.00 H new ATOM 0 HG12 VAL A 16 38.767 30.016 19.159 1.00 0.00 H new ATOM 0 HG13 VAL A 16 39.028 31.633 19.856 1.00 0.00 H new ATOM 0 HG21 VAL A 16 36.131 32.220 20.540 1.00 0.00 H new ATOM 0 HG22 VAL A 16 37.171 33.384 19.686 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.605 32.910 18.986 1.00 0.00 H new ATOM 121 N GLU A 17 39.675 31.658 16.286 1.00 0.00 N ATOM 122 CA GLU A 17 40.778 31.001 15.654 1.00 0.00 C ATOM 123 C GLU A 17 41.929 31.007 16.601 1.00 0.00 C ATOM 124 O GLU A 17 42.809 31.866 16.562 1.00 0.00 O ATOM 125 CB GLU A 17 41.129 31.692 14.326 1.00 0.00 C ATOM 126 CG GLU A 17 40.115 31.305 13.248 1.00 0.00 C ATOM 127 CD GLU A 17 40.117 32.219 12.031 1.00 0.00 C ATOM 128 OE1 GLU A 17 40.037 33.470 12.166 1.00 0.00 O ATOM 129 OE2 GLU A 17 40.105 31.667 10.898 1.00 0.00 O ATOM 0 H GLU A 17 39.781 32.672 16.308 1.00 0.00 H new ATOM 0 HA GLU A 17 40.519 29.970 15.413 1.00 0.00 H new ATOM 0 HB2 GLU A 17 41.134 32.774 14.460 1.00 0.00 H new ATOM 0 HB3 GLU A 17 42.133 31.405 14.012 1.00 0.00 H new ATOM 0 HG2 GLU A 17 40.319 30.285 12.922 1.00 0.00 H new ATOM 0 HG3 GLU A 17 39.117 31.306 13.687 1.00 0.00 H new ATOM 136 N LEU A 18 41.912 30.041 17.536 1.00 0.00 N ATOM 137 CA LEU A 18 42.730 30.029 18.709 1.00 0.00 C ATOM 138 C LEU A 18 43.733 28.931 18.629 1.00 0.00 C ATOM 139 O LEU A 18 43.484 27.879 18.044 1.00 0.00 O ATOM 140 CB LEU A 18 41.798 29.788 19.908 1.00 0.00 C ATOM 141 CG LEU A 18 42.436 29.827 21.307 1.00 0.00 C ATOM 142 CD1 LEU A 18 42.763 31.261 21.757 1.00 0.00 C ATOM 143 CD2 LEU A 18 41.483 29.138 22.297 1.00 0.00 C ATOM 0 H LEU A 18 41.298 29.229 17.471 1.00 0.00 H new ATOM 0 HA LEU A 18 43.267 30.972 18.809 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.005 30.535 19.876 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.324 28.815 19.779 1.00 0.00 H new ATOM 0 HG LEU A 18 43.387 29.296 21.276 1.00 0.00 H new ATOM 0 HD11 LEU A 18 43.211 31.237 22.750 1.00 0.00 H new ATOM 0 HD12 LEU A 18 43.463 31.712 21.054 1.00 0.00 H new ATOM 0 HD13 LEU A 18 41.847 31.851 21.787 1.00 0.00 H new ATOM 0 HD21 LEU A 18 41.920 29.156 23.295 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.528 29.664 22.309 1.00 0.00 H new ATOM 0 HD23 LEU A 18 41.324 28.104 21.990 1.00 0.00 H new ATOM 155 N ALA A 19 44.920 29.106 19.237 1.00 0.00 N ATOM 156 CA ALA A 19 45.893 28.070 19.396 1.00 0.00 C ATOM 157 C ALA A 19 45.846 27.576 20.802 1.00 0.00 C ATOM 158 O ALA A 19 45.631 28.355 21.729 1.00 0.00 O ATOM 159 CB ALA A 19 47.300 28.590 19.059 1.00 0.00 C ATOM 0 H ALA A 19 45.213 30.000 19.632 1.00 0.00 H new ATOM 0 HA ALA A 19 45.666 27.253 18.711 1.00 0.00 H new ATOM 0 HB1 ALA A 19 48.025 27.786 19.186 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.322 28.938 18.026 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.552 29.415 19.725 1.00 0.00 H new ATOM 165 N LYS A 20 46.064 26.271 21.041 1.00 0.00 N ATOM 166 CA LYS A 20 46.169 25.775 22.378 1.00 0.00 C ATOM 167 C LYS A 20 47.419 26.217 23.057 1.00 0.00 C ATOM 168 O LYS A 20 48.426 26.504 22.413 1.00 0.00 O ATOM 169 CB LYS A 20 46.136 24.239 22.428 1.00 0.00 C ATOM 170 CG LYS A 20 44.855 23.634 21.850 1.00 0.00 C ATOM 171 CD LYS A 20 44.748 22.129 22.102 1.00 0.00 C ATOM 172 CE LYS A 20 43.442 21.544 21.560 1.00 0.00 C ATOM 173 NZ LYS A 20 43.341 20.092 21.825 1.00 0.00 N ATOM 0 H LYS A 20 46.167 25.563 20.314 1.00 0.00 H new ATOM 0 HA LYS A 20 45.304 26.188 22.897 1.00 0.00 H new ATOM 0 HB2 LYS A 20 46.992 23.848 21.879 1.00 0.00 H new ATOM 0 HB3 LYS A 20 46.246 23.915 23.463 1.00 0.00 H new ATOM 0 HG2 LYS A 20 43.992 24.134 22.289 1.00 0.00 H new ATOM 0 HG3 LYS A 20 44.821 23.822 20.777 1.00 0.00 H new ATOM 0 HD2 LYS A 20 45.593 21.623 21.634 1.00 0.00 H new ATOM 0 HD3 LYS A 20 44.814 21.936 23.173 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.596 22.057 22.017 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.381 21.723 20.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.295 19.577 20.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.175 19.778 22.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 42.482 19.899 22.378 1.00 0.00 H new ATOM 187 N THR A 21 47.418 26.282 24.400 1.00 0.00 N ATOM 188 CA THR A 21 48.577 26.596 25.176 1.00 0.00 C ATOM 189 C THR A 21 48.977 25.395 25.961 1.00 0.00 C ATOM 190 O THR A 21 48.377 25.060 26.982 1.00 0.00 O ATOM 191 CB THR A 21 48.453 27.796 26.067 1.00 0.00 C ATOM 192 OG1 THR A 21 47.285 27.795 26.875 1.00 0.00 O ATOM 193 CG2 THR A 21 48.372 29.049 25.181 1.00 0.00 C ATOM 0 H THR A 21 46.585 26.111 24.963 1.00 0.00 H new ATOM 0 HA THR A 21 49.350 26.875 24.460 1.00 0.00 H new ATOM 0 HB THR A 21 49.321 27.780 26.726 1.00 0.00 H new ATOM 0 HG1 THR A 21 47.147 26.900 27.250 1.00 0.00 H new ATOM 0 HG21 THR A 21 48.281 29.934 25.810 1.00 0.00 H new ATOM 0 HG22 THR A 21 49.275 29.125 24.575 1.00 0.00 H new ATOM 0 HG23 THR A 21 47.502 28.977 24.528 1.00 0.00 H new ATOM 201 N ASP A 22 50.002 24.665 25.485 1.00 0.00 N ATOM 202 CA ASP A 22 50.583 23.521 26.115 1.00 0.00 C ATOM 203 C ASP A 22 49.604 22.427 26.365 1.00 0.00 C ATOM 204 O ASP A 22 49.517 21.831 27.437 1.00 0.00 O ATOM 205 CB ASP A 22 51.381 24.011 27.335 1.00 0.00 C ATOM 206 CG ASP A 22 52.357 22.997 27.914 1.00 0.00 C ATOM 207 OD1 ASP A 22 53.092 22.314 27.151 1.00 0.00 O ATOM 208 OD2 ASP A 22 52.445 22.943 29.170 1.00 0.00 O ATOM 0 H ASP A 22 50.455 24.891 24.599 1.00 0.00 H new ATOM 0 HA ASP A 22 51.285 23.026 25.444 1.00 0.00 H new ATOM 0 HB2 ASP A 22 51.935 24.906 27.052 1.00 0.00 H new ATOM 0 HB3 ASP A 22 50.679 24.304 28.116 1.00 0.00 H new ATOM 213 N GLY A 23 48.782 22.135 25.341 1.00 0.00 N ATOM 214 CA GLY A 23 47.735 21.161 25.380 1.00 0.00 C ATOM 215 C GLY A 23 46.422 21.660 25.875 1.00 0.00 C ATOM 216 O GLY A 23 45.418 20.957 25.777 1.00 0.00 O ATOM 0 H GLY A 23 48.852 22.604 24.438 1.00 0.00 H new ATOM 0 HA2 GLY A 23 47.598 20.759 24.376 1.00 0.00 H new ATOM 0 HA3 GLY A 23 48.054 20.334 26.014 1.00 0.00 H new ATOM 220 N SER A 24 46.365 22.877 26.447 1.00 0.00 N ATOM 221 CA SER A 24 45.223 23.366 27.156 1.00 0.00 C ATOM 222 C SER A 24 44.425 24.360 26.386 1.00 0.00 C ATOM 223 O SER A 24 44.939 25.140 25.585 1.00 0.00 O ATOM 224 CB SER A 24 45.618 24.039 28.481 1.00 0.00 C ATOM 225 OG SER A 24 46.267 23.104 29.330 1.00 0.00 O ATOM 0 H SER A 24 47.138 23.541 26.415 1.00 0.00 H new ATOM 0 HA SER A 24 44.618 22.477 27.332 1.00 0.00 H new ATOM 0 HB2 SER A 24 46.278 24.884 28.286 1.00 0.00 H new ATOM 0 HB3 SER A 24 44.731 24.435 28.975 1.00 0.00 H new ATOM 0 HG SER A 24 46.516 23.543 30.170 1.00 0.00 H new ATOM 231 N LEU A 25 43.103 24.378 26.631 1.00 0.00 N ATOM 232 CA LEU A 25 42.180 25.323 26.083 1.00 0.00 C ATOM 233 C LEU A 25 41.534 26.082 27.191 1.00 0.00 C ATOM 234 O LEU A 25 41.544 27.312 27.226 1.00 0.00 O ATOM 235 CB LEU A 25 41.071 24.636 25.268 1.00 0.00 C ATOM 236 CG LEU A 25 41.453 24.298 23.816 1.00 0.00 C ATOM 237 CD1 LEU A 25 40.405 23.362 23.192 1.00 0.00 C ATOM 238 CD2 LEU A 25 41.593 25.566 22.958 1.00 0.00 C ATOM 0 H LEU A 25 42.654 23.697 27.244 1.00 0.00 H new ATOM 0 HA LEU A 25 42.742 25.984 25.424 1.00 0.00 H new ATOM 0 HB2 LEU A 25 40.782 23.716 25.777 1.00 0.00 H new ATOM 0 HB3 LEU A 25 40.194 25.283 25.257 1.00 0.00 H new ATOM 0 HG LEU A 25 42.420 23.796 23.840 1.00 0.00 H new ATOM 0 HD11 LEU A 25 40.688 23.132 22.165 1.00 0.00 H new ATOM 0 HD12 LEU A 25 40.352 22.439 23.769 1.00 0.00 H new ATOM 0 HD13 LEU A 25 39.431 23.851 23.199 1.00 0.00 H new ATOM 0 HD21 LEU A 25 41.863 25.288 21.939 1.00 0.00 H new ATOM 0 HD22 LEU A 25 40.646 26.105 22.948 1.00 0.00 H new ATOM 0 HD23 LEU A 25 42.369 26.205 23.378 1.00 0.00 H new ATOM 250 N GLY A 26 40.936 25.371 28.162 1.00 0.00 N ATOM 251 CA GLY A 26 40.299 25.882 29.336 1.00 0.00 C ATOM 252 C GLY A 26 38.810 25.873 29.267 1.00 0.00 C ATOM 253 O GLY A 26 38.183 26.847 29.682 1.00 0.00 O ATOM 0 H GLY A 26 40.895 24.353 28.121 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.617 25.292 30.196 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.639 26.903 29.507 1.00 0.00 H new ATOM 257 N ILE A 27 38.179 24.795 28.770 1.00 0.00 N ATOM 258 CA ILE A 27 36.794 24.788 28.416 1.00 0.00 C ATOM 259 C ILE A 27 35.966 23.776 29.130 1.00 0.00 C ATOM 260 O ILE A 27 36.165 22.566 29.028 1.00 0.00 O ATOM 261 CB ILE A 27 36.625 24.613 26.935 1.00 0.00 C ATOM 262 CG1 ILE A 27 37.526 23.507 26.360 1.00 0.00 C ATOM 263 CG2 ILE A 27 36.900 25.970 26.264 1.00 0.00 C ATOM 264 CD1 ILE A 27 37.052 22.995 25.001 1.00 0.00 C ATOM 0 H ILE A 27 38.646 23.902 28.610 1.00 0.00 H new ATOM 0 HA ILE A 27 36.424 25.762 28.736 1.00 0.00 H new ATOM 0 HB ILE A 27 35.605 24.288 26.729 1.00 0.00 H new ATOM 0 HG12 ILE A 27 38.543 23.888 26.264 1.00 0.00 H new ATOM 0 HG13 ILE A 27 37.563 22.675 27.063 1.00 0.00 H new ATOM 0 HG21 ILE A 27 36.784 25.872 25.185 1.00 0.00 H new ATOM 0 HG22 ILE A 27 36.194 26.711 26.639 1.00 0.00 H new ATOM 0 HG23 ILE A 27 37.917 26.289 26.492 1.00 0.00 H new ATOM 0 HD11 ILE A 27 37.729 22.217 24.649 1.00 0.00 H new ATOM 0 HD12 ILE A 27 36.047 22.585 25.097 1.00 0.00 H new ATOM 0 HD13 ILE A 27 37.042 23.817 24.286 1.00 0.00 H new ATOM 276 N SER A 28 34.933 24.240 29.855 1.00 0.00 N ATOM 277 CA SER A 28 33.868 23.427 30.354 1.00 0.00 C ATOM 278 C SER A 28 32.586 23.862 29.731 1.00 0.00 C ATOM 279 O SER A 28 32.214 25.033 29.779 1.00 0.00 O ATOM 280 CB SER A 28 33.735 23.507 31.883 1.00 0.00 C ATOM 281 OG SER A 28 34.832 22.850 32.503 1.00 0.00 O ATOM 0 H SER A 28 34.836 25.224 30.104 1.00 0.00 H new ATOM 0 HA SER A 28 34.097 22.393 30.096 1.00 0.00 H new ATOM 0 HB2 SER A 28 33.700 24.550 32.199 1.00 0.00 H new ATOM 0 HB3 SER A 28 32.799 23.046 32.199 1.00 0.00 H new ATOM 0 HG SER A 28 34.740 22.908 33.477 1.00 0.00 H new ATOM 287 N VAL A 29 31.869 22.935 29.072 1.00 0.00 N ATOM 288 CA VAL A 29 30.716 23.205 28.270 1.00 0.00 C ATOM 289 C VAL A 29 29.471 22.685 28.902 1.00 0.00 C ATOM 290 O VAL A 29 29.499 22.047 29.954 1.00 0.00 O ATOM 291 CB VAL A 29 30.875 22.676 26.875 1.00 0.00 C ATOM 292 CG1 VAL A 29 31.907 23.539 26.129 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.308 21.201 26.869 1.00 0.00 C ATOM 0 H VAL A 29 32.107 21.943 29.100 1.00 0.00 H new ATOM 0 HA VAL A 29 30.623 24.289 28.203 1.00 0.00 H new ATOM 0 HB VAL A 29 29.909 22.728 26.372 1.00 0.00 H new ATOM 0 HG11 VAL A 29 32.030 23.163 25.113 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.560 24.572 26.094 1.00 0.00 H new ATOM 0 HG13 VAL A 29 32.863 23.495 26.651 1.00 0.00 H new ATOM 0 HG21 VAL A 29 31.412 20.856 25.840 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.264 21.100 27.384 1.00 0.00 H new ATOM 0 HG23 VAL A 29 30.556 20.599 27.379 1.00 0.00 H new ATOM 303 N THR A 30 28.305 22.988 28.304 1.00 0.00 N ATOM 304 CA THR A 30 27.026 22.483 28.695 1.00 0.00 C ATOM 305 C THR A 30 26.187 22.323 27.474 1.00 0.00 C ATOM 306 O THR A 30 26.532 22.813 26.400 1.00 0.00 O ATOM 307 CB THR A 30 26.327 23.345 29.703 1.00 0.00 C ATOM 308 OG1 THR A 30 25.191 22.727 30.289 1.00 0.00 O ATOM 309 CG2 THR A 30 25.872 24.703 29.143 1.00 0.00 C ATOM 0 H THR A 30 28.253 23.619 27.505 1.00 0.00 H new ATOM 0 HA THR A 30 27.183 21.523 29.187 1.00 0.00 H new ATOM 0 HB THR A 30 27.094 23.500 30.462 1.00 0.00 H new ATOM 0 HG1 THR A 30 24.783 23.339 30.937 1.00 0.00 H new ATOM 0 HG21 THR A 30 25.374 25.272 29.928 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.739 25.258 28.786 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.179 24.542 28.317 1.00 0.00 H new ATOM 317 N GLY A 31 25.032 21.642 27.582 1.00 0.00 N ATOM 318 CA GLY A 31 24.056 21.572 26.540 1.00 0.00 C ATOM 319 C GLY A 31 23.847 20.216 25.958 1.00 0.00 C ATOM 320 O GLY A 31 24.044 19.193 26.612 1.00 0.00 O ATOM 0 H GLY A 31 24.769 21.124 28.421 1.00 0.00 H new ATOM 0 HA2 GLY A 31 23.104 21.933 26.930 1.00 0.00 H new ATOM 0 HA3 GLY A 31 24.351 22.252 25.741 1.00 0.00 H new ATOM 324 N GLY A 32 23.390 20.171 24.694 1.00 0.00 N ATOM 325 CA GLY A 32 23.105 18.977 23.962 1.00 0.00 C ATOM 326 C GLY A 32 21.646 18.676 23.913 1.00 0.00 C ATOM 327 O GLY A 32 20.852 19.226 24.674 1.00 0.00 O ATOM 0 H GLY A 32 23.209 21.017 24.153 1.00 0.00 H new ATOM 0 HA2 GLY A 32 23.487 19.077 22.946 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.631 18.139 24.419 1.00 0.00 H new ATOM 331 N VAL A 33 21.229 17.756 23.025 1.00 0.00 N ATOM 332 CA VAL A 33 19.863 17.471 22.714 1.00 0.00 C ATOM 333 C VAL A 33 19.173 16.515 23.625 1.00 0.00 C ATOM 334 O VAL A 33 18.118 15.973 23.302 1.00 0.00 O ATOM 335 CB VAL A 33 19.747 16.994 21.296 1.00 0.00 C ATOM 336 CG1 VAL A 33 20.131 18.133 20.336 1.00 0.00 C ATOM 337 CG2 VAL A 33 20.640 15.769 21.042 1.00 0.00 C ATOM 0 H VAL A 33 21.882 17.179 22.495 1.00 0.00 H new ATOM 0 HA VAL A 33 19.345 18.419 22.859 1.00 0.00 H new ATOM 0 HB VAL A 33 18.713 16.697 21.119 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.046 17.785 19.306 1.00 0.00 H new ATOM 0 HG12 VAL A 33 19.461 18.979 20.489 1.00 0.00 H new ATOM 0 HG13 VAL A 33 21.158 18.443 20.531 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.532 15.449 20.006 1.00 0.00 H new ATOM 0 HG22 VAL A 33 21.680 16.031 21.235 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.341 14.957 21.705 1.00 0.00 H new ATOM 450 N GLY A 41 21.103 23.057 22.369 1.00 0.00 N ATOM 451 CA GLY A 41 22.252 23.704 21.815 1.00 0.00 C ATOM 452 C GLY A 41 23.427 23.447 22.695 1.00 0.00 C ATOM 453 O GLY A 41 23.258 22.943 23.804 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.446 23.330 20.810 1.00 0.00 H new ATOM 0 HA3 GLY A 41 22.075 24.776 21.728 1.00 0.00 H new ATOM 457 N ILE A 42 24.651 23.769 22.239 1.00 0.00 N ATOM 458 CA ILE A 42 25.866 23.606 22.974 1.00 0.00 C ATOM 459 C ILE A 42 26.289 24.948 23.467 1.00 0.00 C ATOM 460 O ILE A 42 26.383 25.894 22.688 1.00 0.00 O ATOM 461 CB ILE A 42 26.941 22.983 22.135 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.508 21.639 21.525 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.247 22.807 22.929 1.00 0.00 C ATOM 464 CD1 ILE A 42 26.267 20.515 22.532 1.00 0.00 C ATOM 0 H ILE A 42 24.800 24.163 21.310 1.00 0.00 H new ATOM 0 HA ILE A 42 25.696 22.931 23.812 1.00 0.00 H new ATOM 0 HB ILE A 42 27.122 23.676 21.313 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.593 21.796 20.954 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.273 21.315 20.819 1.00 0.00 H new ATOM 0 HG21 ILE A 42 29.003 22.353 22.289 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.598 23.780 23.272 1.00 0.00 H new ATOM 0 HG23 ILE A 42 28.066 22.163 23.790 1.00 0.00 H new ATOM 0 HD11 ILE A 42 25.966 19.611 22.003 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.184 20.322 23.088 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.478 20.810 23.224 1.00 0.00 H new ATOM 476 N TYR A 43 26.523 25.117 24.781 1.00 0.00 N ATOM 477 CA TYR A 43 26.777 26.401 25.358 1.00 0.00 C ATOM 478 C TYR A 43 28.013 26.388 26.191 1.00 0.00 C ATOM 479 O TYR A 43 28.469 25.360 26.688 1.00 0.00 O ATOM 480 CB TYR A 43 25.622 26.862 26.262 1.00 0.00 C ATOM 481 CG TYR A 43 24.419 27.319 25.511 1.00 0.00 C ATOM 482 CD1 TYR A 43 23.498 26.417 25.031 1.00 0.00 C ATOM 483 CD2 TYR A 43 24.165 28.664 25.386 1.00 0.00 C ATOM 484 CE1 TYR A 43 22.345 26.850 24.419 1.00 0.00 C ATOM 485 CE2 TYR A 43 23.004 29.108 24.797 1.00 0.00 C ATOM 486 CZ TYR A 43 22.099 28.199 24.305 1.00 0.00 C ATOM 487 OH TYR A 43 20.912 28.650 23.687 1.00 0.00 O ATOM 0 H TYR A 43 26.536 24.350 25.454 1.00 0.00 H new ATOM 0 HA TYR A 43 26.890 27.086 24.518 1.00 0.00 H new ATOM 0 HB2 TYR A 43 25.338 26.041 26.921 1.00 0.00 H new ATOM 0 HB3 TYR A 43 25.973 27.675 26.898 1.00 0.00 H new ATOM 0 HD1 TYR A 43 23.682 25.358 25.136 1.00 0.00 H new ATOM 0 HD2 TYR A 43 24.885 29.380 25.754 1.00 0.00 H new ATOM 0 HE1 TYR A 43 21.636 26.134 24.030 1.00 0.00 H new ATOM 0 HE2 TYR A 43 22.805 30.167 24.722 1.00 0.00 H new ATOM 0 HH TYR A 43 20.894 29.630 23.690 1.00 0.00 H new ATOM 497 N VAL A 44 28.607 27.578 26.392 1.00 0.00 N ATOM 498 CA VAL A 44 29.702 27.820 27.279 1.00 0.00 C ATOM 499 C VAL A 44 29.247 27.860 28.698 1.00 0.00 C ATOM 500 O VAL A 44 28.335 28.608 29.043 1.00 0.00 O ATOM 501 CB VAL A 44 30.420 29.093 26.944 1.00 0.00 C ATOM 502 CG1 VAL A 44 31.714 29.213 27.766 1.00 0.00 C ATOM 503 CG2 VAL A 44 30.785 29.114 25.450 1.00 0.00 C ATOM 0 H VAL A 44 28.304 28.422 25.905 1.00 0.00 H new ATOM 0 HA VAL A 44 30.397 26.990 27.152 1.00 0.00 H new ATOM 0 HB VAL A 44 29.759 29.927 27.179 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.223 30.143 27.510 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.471 29.212 28.829 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.367 28.369 27.542 1.00 0.00 H new ATOM 0 HG21 VAL A 44 31.306 30.042 25.216 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.432 28.267 25.222 1.00 0.00 H new ATOM 0 HG23 VAL A 44 29.876 29.048 24.852 1.00 0.00 H new ATOM 513 N LYS A 45 29.853 27.066 29.600 1.00 0.00 N ATOM 514 CA LYS A 45 29.465 27.004 30.974 1.00 0.00 C ATOM 515 C LYS A 45 30.467 27.612 31.894 1.00 0.00 C ATOM 516 O LYS A 45 30.121 28.447 32.727 1.00 0.00 O ATOM 517 CB LYS A 45 29.217 25.544 31.389 1.00 0.00 C ATOM 518 CG LYS A 45 28.422 25.384 32.686 1.00 0.00 C ATOM 519 CD LYS A 45 28.332 23.922 33.131 1.00 0.00 C ATOM 520 CE LYS A 45 27.206 23.669 34.135 1.00 0.00 C ATOM 521 NZ LYS A 45 27.178 22.242 34.524 1.00 0.00 N ATOM 0 H LYS A 45 30.633 26.451 29.367 1.00 0.00 H new ATOM 0 HA LYS A 45 28.548 27.587 31.061 1.00 0.00 H new ATOM 0 HB2 LYS A 45 28.684 25.036 30.585 1.00 0.00 H new ATOM 0 HB3 LYS A 45 30.178 25.042 31.502 1.00 0.00 H new ATOM 0 HG2 LYS A 45 28.892 25.974 33.473 1.00 0.00 H new ATOM 0 HG3 LYS A 45 27.417 25.782 32.546 1.00 0.00 H new ATOM 0 HD2 LYS A 45 28.179 23.291 32.256 1.00 0.00 H new ATOM 0 HD3 LYS A 45 29.281 23.625 33.576 1.00 0.00 H new ATOM 0 HE2 LYS A 45 27.350 24.291 35.018 1.00 0.00 H new ATOM 0 HE3 LYS A 45 26.249 23.953 33.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 26.409 22.083 35.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 27.019 21.655 33.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 28.086 21.983 34.960 1.00 0.00 H new ATOM 535 N ALA A 46 31.748 27.213 31.797 1.00 0.00 N ATOM 536 CA ALA A 46 32.782 27.767 32.616 1.00 0.00 C ATOM 537 C ALA A 46 34.066 27.805 31.859 1.00 0.00 C ATOM 538 O ALA A 46 34.258 27.071 30.890 1.00 0.00 O ATOM 539 CB ALA A 46 32.951 26.966 33.918 1.00 0.00 C ATOM 0 H ALA A 46 32.070 26.499 31.144 1.00 0.00 H new ATOM 0 HA ALA A 46 32.496 28.784 32.885 1.00 0.00 H new ATOM 0 HB1 ALA A 46 33.744 27.411 34.519 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.017 26.983 34.480 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.212 25.935 33.680 1.00 0.00 H new ATOM 545 N ILE A 47 34.992 28.691 32.264 1.00 0.00 N ATOM 546 CA ILE A 47 36.264 28.862 31.634 1.00 0.00 C ATOM 547 C ILE A 47 37.339 28.721 32.655 1.00 0.00 C ATOM 548 O ILE A 47 37.293 29.313 33.733 1.00 0.00 O ATOM 549 CB ILE A 47 36.278 30.108 30.799 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.951 29.896 29.432 1.00 0.00 C ATOM 551 CG2 ILE A 47 36.869 31.332 31.519 1.00 0.00 C ATOM 552 CD1 ILE A 47 36.133 29.046 28.460 1.00 0.00 C ATOM 0 H ILE A 47 34.850 29.312 33.060 1.00 0.00 H new ATOM 0 HA ILE A 47 36.466 28.075 30.907 1.00 0.00 H new ATOM 0 HB ILE A 47 35.226 30.332 30.623 1.00 0.00 H new ATOM 0 HG12 ILE A 47 37.140 30.868 28.977 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.920 29.422 29.586 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.845 32.193 30.852 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.282 31.548 32.411 1.00 0.00 H new ATOM 0 HG23 ILE A 47 37.900 31.123 31.805 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.676 28.944 27.520 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.966 28.059 28.892 1.00 0.00 H new ATOM 0 HD13 ILE A 47 35.173 29.528 28.274 1.00 0.00 H new ATOM 564 N ILE A 48 38.318 27.829 32.419 1.00 0.00 N ATOM 565 CA ILE A 48 39.354 27.451 33.328 1.00 0.00 C ATOM 566 C ILE A 48 40.459 28.443 33.453 1.00 0.00 C ATOM 567 O ILE A 48 41.077 28.701 32.422 1.00 0.00 O ATOM 568 CB ILE A 48 39.957 26.120 32.988 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.870 25.064 32.723 1.00 0.00 C ATOM 570 CG2 ILE A 48 40.929 25.641 34.079 1.00 0.00 C ATOM 571 CD1 ILE A 48 38.008 24.688 33.926 1.00 0.00 C ATOM 0 H ILE A 48 38.389 27.338 31.528 1.00 0.00 H new ATOM 0 HA ILE A 48 38.839 27.398 34.287 1.00 0.00 H new ATOM 0 HB ILE A 48 40.529 26.253 32.070 1.00 0.00 H new ATOM 0 HG12 ILE A 48 38.217 25.432 31.931 1.00 0.00 H new ATOM 0 HG13 ILE A 48 39.350 24.161 32.346 1.00 0.00 H new ATOM 0 HG21 ILE A 48 41.345 24.674 33.797 1.00 0.00 H new ATOM 0 HG22 ILE A 48 41.736 26.365 34.190 1.00 0.00 H new ATOM 0 HG23 ILE A 48 40.396 25.544 35.025 1.00 0.00 H new ATOM 0 HD11 ILE A 48 37.276 23.938 33.628 1.00 0.00 H new ATOM 0 HD12 ILE A 48 38.642 24.284 34.715 1.00 0.00 H new ATOM 0 HD13 ILE A 48 37.491 25.574 34.294 1.00 0.00 H new ATOM 583 N PRO A 49 40.826 29.000 34.569 1.00 0.00 N ATOM 584 CA PRO A 49 41.886 29.962 34.656 1.00 0.00 C ATOM 585 C PRO A 49 43.218 29.520 34.154 1.00 0.00 C ATOM 586 O PRO A 49 43.690 28.455 34.551 1.00 0.00 O ATOM 587 CB PRO A 49 41.965 30.317 36.139 1.00 0.00 C ATOM 588 CG PRO A 49 40.513 30.155 36.619 1.00 0.00 C ATOM 589 CD PRO A 49 40.058 28.933 35.804 1.00 0.00 C ATOM 0 HA PRO A 49 41.651 30.801 34.001 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.643 29.653 36.676 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.328 31.334 36.291 1.00 0.00 H new ATOM 0 HG2 PRO A 49 40.453 29.978 37.693 1.00 0.00 H new ATOM 0 HG3 PRO A 49 39.910 31.038 36.407 1.00 0.00 H new ATOM 0 HD2 PRO A 49 40.253 28.005 36.341 1.00 0.00 H new ATOM 0 HD3 PRO A 49 38.987 28.967 35.606 1.00 0.00 H new ATOM 597 N LYS A 50 43.824 30.313 33.253 1.00 0.00 N ATOM 598 CA LYS A 50 45.069 30.083 32.587 1.00 0.00 C ATOM 599 C LYS A 50 44.961 29.136 31.442 1.00 0.00 C ATOM 600 O LYS A 50 45.941 28.545 30.991 1.00 0.00 O ATOM 601 CB LYS A 50 46.270 29.787 33.500 1.00 0.00 C ATOM 602 CG LYS A 50 46.501 30.838 34.586 1.00 0.00 C ATOM 603 CD LYS A 50 47.869 30.683 35.254 1.00 0.00 C ATOM 604 CE LYS A 50 48.202 31.742 36.307 1.00 0.00 C ATOM 605 NZ LYS A 50 47.460 31.500 37.565 1.00 0.00 N ATOM 0 H LYS A 50 43.402 31.196 32.965 1.00 0.00 H new ATOM 0 HA LYS A 50 45.305 31.058 32.162 1.00 0.00 H new ATOM 0 HB2 LYS A 50 46.122 28.817 33.974 1.00 0.00 H new ATOM 0 HB3 LYS A 50 47.168 29.709 32.887 1.00 0.00 H new ATOM 0 HG2 LYS A 50 46.422 31.834 34.149 1.00 0.00 H new ATOM 0 HG3 LYS A 50 45.718 30.758 35.340 1.00 0.00 H new ATOM 0 HD2 LYS A 50 47.918 29.700 35.722 1.00 0.00 H new ATOM 0 HD3 LYS A 50 48.638 30.707 34.482 1.00 0.00 H new ATOM 0 HE2 LYS A 50 49.273 31.735 36.507 1.00 0.00 H new ATOM 0 HE3 LYS A 50 47.956 32.731 35.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 47.706 32.234 38.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 46.438 31.531 37.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 47.714 30.565 37.944 1.00 0.00 H new ATOM 619 N GLY A 51 43.757 28.974 30.866 1.00 0.00 N ATOM 620 CA GLY A 51 43.594 28.340 29.595 1.00 0.00 C ATOM 621 C GLY A 51 43.780 29.293 28.463 1.00 0.00 C ATOM 622 O GLY A 51 43.575 30.498 28.598 1.00 0.00 O ATOM 0 H GLY A 51 42.883 29.288 31.289 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.311 27.524 29.503 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.599 27.898 29.536 1.00 0.00 H new ATOM 626 N ALA A 52 44.136 28.784 27.270 1.00 0.00 N ATOM 627 CA ALA A 52 44.172 29.499 26.032 1.00 0.00 C ATOM 628 C ALA A 52 42.947 30.288 25.717 1.00 0.00 C ATOM 629 O ALA A 52 42.991 31.493 25.476 1.00 0.00 O ATOM 630 CB ALA A 52 44.452 28.523 24.878 1.00 0.00 C ATOM 0 H ALA A 52 44.417 27.809 27.164 1.00 0.00 H new ATOM 0 HA ALA A 52 44.973 30.229 26.148 1.00 0.00 H new ATOM 0 HB1 ALA A 52 44.479 29.071 23.936 1.00 0.00 H new ATOM 0 HB2 ALA A 52 45.412 28.034 25.040 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.664 27.771 24.838 1.00 0.00 H new ATOM 636 N ALA A 53 41.792 29.600 25.717 1.00 0.00 N ATOM 637 CA ALA A 53 40.473 30.098 25.477 1.00 0.00 C ATOM 638 C ALA A 53 40.057 31.068 26.529 1.00 0.00 C ATOM 639 O ALA A 53 39.600 32.167 26.218 1.00 0.00 O ATOM 640 CB ALA A 53 39.455 28.947 25.415 1.00 0.00 C ATOM 0 H ALA A 53 41.783 28.597 25.903 1.00 0.00 H new ATOM 0 HA ALA A 53 40.495 30.612 24.516 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.459 29.351 25.232 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.725 28.266 24.608 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.458 28.407 26.362 1.00 0.00 H new ATOM 646 N GLU A 54 40.255 30.673 27.800 1.00 0.00 N ATOM 647 CA GLU A 54 40.047 31.509 28.941 1.00 0.00 C ATOM 648 C GLU A 54 40.633 32.877 28.884 1.00 0.00 C ATOM 649 O GLU A 54 39.948 33.891 29.003 1.00 0.00 O ATOM 650 CB GLU A 54 40.606 30.835 30.204 1.00 0.00 C ATOM 651 CG GLU A 54 40.323 31.611 31.493 1.00 0.00 C ATOM 652 CD GLU A 54 41.418 32.497 32.070 1.00 0.00 C ATOM 653 OE1 GLU A 54 42.627 32.313 31.767 1.00 0.00 O ATOM 654 OE2 GLU A 54 41.059 33.394 32.880 1.00 0.00 O ATOM 0 H GLU A 54 40.572 29.734 28.042 1.00 0.00 H new ATOM 0 HA GLU A 54 38.964 31.635 28.958 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.179 29.836 30.291 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.683 30.713 30.093 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.450 32.239 31.316 1.00 0.00 H new ATOM 0 HG3 GLU A 54 40.045 30.888 32.260 1.00 0.00 H new ATOM 661 N SER A 55 41.967 32.927 28.718 1.00 0.00 N ATOM 662 CA SER A 55 42.746 34.127 28.747 1.00 0.00 C ATOM 663 C SER A 55 42.489 35.027 27.588 1.00 0.00 C ATOM 664 O SER A 55 42.569 36.250 27.693 1.00 0.00 O ATOM 665 CB SER A 55 44.246 33.798 28.822 1.00 0.00 C ATOM 666 OG SER A 55 45.058 34.949 28.999 1.00 0.00 O ATOM 0 H SER A 55 42.529 32.091 28.556 1.00 0.00 H new ATOM 0 HA SER A 55 42.436 34.664 29.644 1.00 0.00 H new ATOM 0 HB2 SER A 55 44.420 33.107 29.647 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.546 33.285 27.908 1.00 0.00 H new ATOM 0 HG SER A 55 46.000 34.682 29.041 1.00 0.00 H new ATOM 672 N ASP A 56 42.131 34.459 26.422 1.00 0.00 N ATOM 673 CA ASP A 56 41.698 35.173 25.262 1.00 0.00 C ATOM 674 C ASP A 56 40.409 35.878 25.513 1.00 0.00 C ATOM 675 O ASP A 56 40.332 37.104 25.456 1.00 0.00 O ATOM 676 CB ASP A 56 41.645 34.173 24.094 1.00 0.00 C ATOM 677 CG ASP A 56 41.244 34.825 22.778 1.00 0.00 C ATOM 678 OD1 ASP A 56 42.004 35.707 22.293 1.00 0.00 O ATOM 679 OD2 ASP A 56 40.162 34.475 22.236 1.00 0.00 O ATOM 0 H ASP A 56 42.145 33.449 26.282 1.00 0.00 H new ATOM 0 HA ASP A 56 42.398 35.967 25.003 1.00 0.00 H new ATOM 0 HB2 ASP A 56 42.622 33.703 23.979 1.00 0.00 H new ATOM 0 HB3 ASP A 56 40.936 33.380 24.332 1.00 0.00 H new ATOM 684 N GLY A 57 39.335 35.143 25.848 1.00 0.00 N ATOM 685 CA GLY A 57 38.133 35.716 26.368 1.00 0.00 C ATOM 686 C GLY A 57 37.120 36.154 25.367 1.00 0.00 C ATOM 687 O GLY A 57 36.339 37.068 25.627 1.00 0.00 O ATOM 0 H GLY A 57 39.301 34.128 25.756 1.00 0.00 H new ATOM 0 HA2 GLY A 57 37.666 34.987 27.030 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.402 36.577 26.981 1.00 0.00 H new ATOM 691 N ARG A 58 37.046 35.476 24.208 1.00 0.00 N ATOM 692 CA ARG A 58 35.902 35.484 23.349 1.00 0.00 C ATOM 693 C ARG A 58 34.921 34.478 23.848 1.00 0.00 C ATOM 694 O ARG A 58 33.714 34.709 23.857 1.00 0.00 O ATOM 695 CB ARG A 58 36.276 35.105 21.906 1.00 0.00 C ATOM 696 CG ARG A 58 36.760 36.269 21.038 1.00 0.00 C ATOM 697 CD ARG A 58 35.684 37.341 20.853 1.00 0.00 C ATOM 698 NE ARG A 58 35.931 38.092 19.590 1.00 0.00 N ATOM 699 CZ ARG A 58 35.135 39.141 19.228 1.00 0.00 C ATOM 700 NH1 ARG A 58 34.175 39.646 20.056 1.00 0.00 N ATOM 701 NH2 ARG A 58 35.199 39.645 17.961 1.00 0.00 N ATOM 0 H ARG A 58 37.811 34.901 23.856 1.00 0.00 H new ATOM 0 HA ARG A 58 35.484 36.491 23.352 1.00 0.00 H new ATOM 0 HB2 ARG A 58 37.056 34.345 21.936 1.00 0.00 H new ATOM 0 HB3 ARG A 58 35.408 34.651 21.428 1.00 0.00 H new ATOM 0 HG2 ARG A 58 37.642 36.718 21.495 1.00 0.00 H new ATOM 0 HG3 ARG A 58 37.064 35.890 20.062 1.00 0.00 H new ATOM 0 HD2 ARG A 58 34.698 36.878 20.824 1.00 0.00 H new ATOM 0 HD3 ARG A 58 35.690 38.026 21.701 1.00 0.00 H new ATOM 0 HE ARG A 58 36.706 37.818 18.987 1.00 0.00 H new ATOM 0 HH11 ARG A 58 34.033 39.239 20.980 1.00 0.00 H new ATOM 0 HH12 ARG A 58 33.599 40.431 19.751 1.00 0.00 H new ATOM 0 HH21 ARG A 58 35.842 39.238 17.282 1.00 0.00 H new ATOM 0 HH22 ARG A 58 34.603 40.429 17.693 1.00 0.00 H new ATOM 715 N ILE A 59 35.420 33.313 24.300 1.00 0.00 N ATOM 716 CA ILE A 59 34.628 32.285 24.902 1.00 0.00 C ATOM 717 C ILE A 59 34.330 32.626 26.321 1.00 0.00 C ATOM 718 O ILE A 59 35.163 32.456 27.210 1.00 0.00 O ATOM 719 CB ILE A 59 35.301 30.949 24.796 1.00 0.00 C ATOM 720 CG1 ILE A 59 35.803 30.717 23.361 1.00 0.00 C ATOM 721 CG2 ILE A 59 34.322 29.848 25.236 1.00 0.00 C ATOM 722 CD1 ILE A 59 36.226 29.283 23.051 1.00 0.00 C ATOM 0 H ILE A 59 36.411 33.078 24.244 1.00 0.00 H new ATOM 0 HA ILE A 59 33.685 32.218 24.360 1.00 0.00 H new ATOM 0 HB ILE A 59 36.169 30.922 25.455 1.00 0.00 H new ATOM 0 HG12 ILE A 59 35.016 31.006 22.665 1.00 0.00 H new ATOM 0 HG13 ILE A 59 36.650 31.378 23.177 1.00 0.00 H new ATOM 0 HG21 ILE A 59 34.809 28.876 25.160 1.00 0.00 H new ATOM 0 HG22 ILE A 59 34.019 30.022 26.268 1.00 0.00 H new ATOM 0 HG23 ILE A 59 33.443 29.865 24.592 1.00 0.00 H new ATOM 0 HD11 ILE A 59 36.564 29.219 22.017 1.00 0.00 H new ATOM 0 HD12 ILE A 59 37.038 28.991 23.717 1.00 0.00 H new ATOM 0 HD13 ILE A 59 35.378 28.614 23.197 1.00 0.00 H new ATOM 734 N HIS A 60 33.125 33.151 26.602 1.00 0.00 N ATOM 735 CA HIS A 60 32.708 33.495 27.926 1.00 0.00 C ATOM 736 C HIS A 60 31.452 32.765 28.261 1.00 0.00 C ATOM 737 O HIS A 60 30.698 32.308 27.404 1.00 0.00 O ATOM 738 CB HIS A 60 32.529 35.010 28.112 1.00 0.00 C ATOM 739 CG HIS A 60 32.411 35.455 29.539 1.00 0.00 C ATOM 740 ND1 HIS A 60 33.416 35.306 30.473 1.00 0.00 N ATOM 741 CD2 HIS A 60 31.399 36.090 30.190 1.00 0.00 C ATOM 742 CE1 HIS A 60 32.961 35.844 31.636 1.00 0.00 C ATOM 743 NE2 HIS A 60 31.746 36.342 31.502 1.00 0.00 N ATOM 0 H HIS A 60 32.421 33.342 25.889 1.00 0.00 H new ATOM 0 HA HIS A 60 33.498 33.192 28.613 1.00 0.00 H new ATOM 0 HB2 HIS A 60 33.376 35.521 27.655 1.00 0.00 H new ATOM 0 HB3 HIS A 60 31.637 35.326 27.572 1.00 0.00 H new ATOM 0 HD2 HIS A 60 30.454 36.360 29.742 1.00 0.00 H new ATOM 0 HE1 HIS A 60 33.525 35.862 32.557 1.00 0.00 H new ATOM 0 HE2 HIS A 60 31.185 36.811 32.213 1.00 0.00 H new ATOM 751 N LYS A 61 31.182 32.581 29.565 1.00 0.00 N ATOM 752 CA LYS A 61 30.118 31.742 30.024 1.00 0.00 C ATOM 753 C LYS A 61 28.765 32.273 29.700 1.00 0.00 C ATOM 754 O LYS A 61 28.470 33.455 29.871 1.00 0.00 O ATOM 755 CB LYS A 61 30.293 31.410 31.516 1.00 0.00 C ATOM 756 CG LYS A 61 30.224 32.605 32.469 1.00 0.00 C ATOM 757 CD LYS A 61 31.073 32.403 33.727 1.00 0.00 C ATOM 758 CE LYS A 61 31.233 33.699 34.524 1.00 0.00 C ATOM 759 NZ LYS A 61 32.059 33.495 35.735 1.00 0.00 N ATOM 0 H LYS A 61 31.712 33.023 30.316 1.00 0.00 H new ATOM 0 HA LYS A 61 30.184 30.806 29.469 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.524 30.693 31.804 1.00 0.00 H new ATOM 0 HB3 LYS A 61 31.255 30.916 31.650 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.561 33.501 31.948 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.187 32.775 32.758 1.00 0.00 H new ATOM 0 HD2 LYS A 61 30.611 31.644 34.358 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.056 32.027 33.444 1.00 0.00 H new ATOM 0 HE2 LYS A 61 31.692 34.460 33.893 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.251 34.074 34.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 32.147 34.394 36.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 31.607 32.786 36.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.004 33.161 35.458 1.00 0.00 H new ATOM 773 N GLY A 62 27.898 31.414 29.135 1.00 0.00 N ATOM 774 CA GLY A 62 26.618 31.789 28.622 1.00 0.00 C ATOM 775 C GLY A 62 26.532 31.779 27.135 1.00 0.00 C ATOM 776 O GLY A 62 25.426 31.765 26.596 1.00 0.00 O ATOM 0 H GLY A 62 28.097 30.419 29.032 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.865 31.111 29.023 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.372 32.788 28.983 1.00 0.00 H new ATOM 780 N ASP A 63 27.653 31.828 26.393 1.00 0.00 N ATOM 781 CA ASP A 63 27.597 31.960 24.970 1.00 0.00 C ATOM 782 C ASP A 63 27.302 30.678 24.270 1.00 0.00 C ATOM 783 O ASP A 63 27.510 29.598 24.820 1.00 0.00 O ATOM 784 CB ASP A 63 28.869 32.661 24.465 1.00 0.00 C ATOM 785 CG ASP A 63 28.905 34.090 24.987 1.00 0.00 C ATOM 786 OD1 ASP A 63 27.875 34.801 24.837 1.00 0.00 O ATOM 787 OD2 ASP A 63 29.940 34.553 25.538 1.00 0.00 O ATOM 0 H ASP A 63 28.596 31.776 26.777 1.00 0.00 H new ATOM 0 HA ASP A 63 26.746 32.593 24.719 1.00 0.00 H new ATOM 0 HB2 ASP A 63 29.753 32.118 24.800 1.00 0.00 H new ATOM 0 HB3 ASP A 63 28.889 32.660 23.375 1.00 0.00 H new ATOM 792 N ARG A 64 26.771 30.716 23.035 1.00 0.00 N ATOM 793 CA ARG A 64 26.318 29.558 22.330 1.00 0.00 C ATOM 794 C ARG A 64 27.225 29.226 21.196 1.00 0.00 C ATOM 795 O ARG A 64 27.631 30.094 20.424 1.00 0.00 O ATOM 796 CB ARG A 64 24.900 29.773 21.773 1.00 0.00 C ATOM 797 CG ARG A 64 24.235 28.507 21.231 1.00 0.00 C ATOM 798 CD ARG A 64 22.848 28.767 20.638 1.00 0.00 C ATOM 799 NE ARG A 64 22.280 27.484 20.136 1.00 0.00 N ATOM 800 CZ ARG A 64 22.636 26.894 18.957 1.00 0.00 C ATOM 801 NH1 ARG A 64 23.587 27.399 18.118 1.00 0.00 N ATOM 802 NH2 ARG A 64 22.014 25.766 18.507 1.00 0.00 N ATOM 0 H ARG A 64 26.653 31.582 22.510 1.00 0.00 H new ATOM 0 HA ARG A 64 26.313 28.734 23.044 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.273 30.189 22.561 1.00 0.00 H new ATOM 0 HB3 ARG A 64 24.945 30.515 20.976 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.874 28.066 20.466 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.149 27.776 22.035 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.191 29.198 21.394 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.917 29.490 19.826 1.00 0.00 H new ATOM 0 HE ARG A 64 21.579 27.016 20.711 1.00 0.00 H new ATOM 0 HH11 ARG A 64 24.074 28.262 18.360 1.00 0.00 H new ATOM 0 HH12 ARG A 64 23.811 26.913 17.249 1.00 0.00 H new ATOM 0 HH21 ARG A 64 21.264 25.344 19.055 1.00 0.00 H new ATOM 0 HH22 ARG A 64 22.299 25.345 17.623 1.00 0.00 H new ATOM 816 N VAL A 65 27.591 27.943 21.017 1.00 0.00 N ATOM 817 CA VAL A 65 28.533 27.518 20.028 1.00 0.00 C ATOM 818 C VAL A 65 27.838 27.052 18.794 1.00 0.00 C ATOM 819 O VAL A 65 26.882 26.283 18.858 1.00 0.00 O ATOM 820 CB VAL A 65 29.433 26.442 20.560 1.00 0.00 C ATOM 821 CG1 VAL A 65 30.634 26.240 19.622 1.00 0.00 C ATOM 822 CG2 VAL A 65 29.938 26.834 21.959 1.00 0.00 C ATOM 0 H VAL A 65 27.219 27.177 21.579 1.00 0.00 H new ATOM 0 HA VAL A 65 29.150 28.379 19.771 1.00 0.00 H new ATOM 0 HB VAL A 65 28.869 25.511 20.621 1.00 0.00 H new ATOM 0 HG11 VAL A 65 31.279 25.456 20.020 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.279 25.950 18.633 1.00 0.00 H new ATOM 0 HG13 VAL A 65 31.197 27.170 19.547 1.00 0.00 H new ATOM 0 HG21 VAL A 65 30.591 26.050 22.343 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.492 27.770 21.897 1.00 0.00 H new ATOM 0 HG23 VAL A 65 29.089 26.959 22.631 1.00 0.00 H new ATOM 832 N LEU A 66 28.283 27.504 17.608 1.00 0.00 N ATOM 833 CA LEU A 66 27.726 27.108 16.352 1.00 0.00 C ATOM 834 C LEU A 66 28.417 25.913 15.793 1.00 0.00 C ATOM 835 O LEU A 66 27.779 24.960 15.349 1.00 0.00 O ATOM 836 CB LEU A 66 27.871 28.179 15.259 1.00 0.00 C ATOM 837 CG LEU A 66 26.827 29.309 15.216 1.00 0.00 C ATOM 838 CD1 LEU A 66 25.387 28.773 15.293 1.00 0.00 C ATOM 839 CD2 LEU A 66 27.095 30.404 16.262 1.00 0.00 C ATOM 0 H LEU A 66 29.054 28.166 17.520 1.00 0.00 H new ATOM 0 HA LEU A 66 26.678 26.919 16.582 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.855 28.636 15.367 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.858 27.675 14.293 1.00 0.00 H new ATOM 0 HG LEU A 66 26.934 29.785 14.241 1.00 0.00 H new ATOM 0 HD11 LEU A 66 24.686 29.607 15.259 1.00 0.00 H new ATOM 0 HD12 LEU A 66 25.201 28.108 14.450 1.00 0.00 H new ATOM 0 HD13 LEU A 66 25.253 28.224 16.225 1.00 0.00 H new ATOM 0 HD21 LEU A 66 26.328 31.175 16.186 1.00 0.00 H new ATOM 0 HD22 LEU A 66 27.073 29.967 17.260 1.00 0.00 H new ATOM 0 HD23 LEU A 66 28.074 30.847 16.082 1.00 0.00 H new ATOM 851 N ALA A 67 29.757 25.978 15.697 1.00 0.00 N ATOM 852 CA ALA A 67 30.482 25.035 14.904 1.00 0.00 C ATOM 853 C ALA A 67 31.868 24.825 15.413 1.00 0.00 C ATOM 854 O ALA A 67 32.548 25.769 15.814 1.00 0.00 O ATOM 855 CB ALA A 67 30.539 25.505 13.440 1.00 0.00 C ATOM 0 H ALA A 67 30.334 26.677 16.164 1.00 0.00 H new ATOM 0 HA ALA A 67 29.952 24.084 14.968 1.00 0.00 H new ATOM 0 HB1 ALA A 67 31.094 24.779 12.846 1.00 0.00 H new ATOM 0 HB2 ALA A 67 29.526 25.597 13.048 1.00 0.00 H new ATOM 0 HB3 ALA A 67 31.038 26.473 13.388 1.00 0.00 H new ATOM 861 N VAL A 68 32.342 23.567 15.393 1.00 0.00 N ATOM 862 CA VAL A 68 33.703 23.226 15.669 1.00 0.00 C ATOM 863 C VAL A 68 34.326 22.800 14.384 1.00 0.00 C ATOM 864 O VAL A 68 33.870 21.845 13.757 1.00 0.00 O ATOM 865 CB VAL A 68 33.859 22.116 16.666 1.00 0.00 C ATOM 866 CG1 VAL A 68 35.341 21.972 17.050 1.00 0.00 C ATOM 867 CG2 VAL A 68 33.008 22.390 17.917 1.00 0.00 C ATOM 0 H VAL A 68 31.758 22.759 15.177 1.00 0.00 H new ATOM 0 HA VAL A 68 34.182 24.103 16.104 1.00 0.00 H new ATOM 0 HB VAL A 68 33.513 21.185 16.216 1.00 0.00 H new ATOM 0 HG11 VAL A 68 35.452 21.165 17.774 1.00 0.00 H new ATOM 0 HG12 VAL A 68 35.927 21.744 16.160 1.00 0.00 H new ATOM 0 HG13 VAL A 68 35.696 22.905 17.489 1.00 0.00 H new ATOM 0 HG21 VAL A 68 33.134 21.574 18.629 1.00 0.00 H new ATOM 0 HG22 VAL A 68 33.328 23.325 18.377 1.00 0.00 H new ATOM 0 HG23 VAL A 68 31.958 22.465 17.634 1.00 0.00 H new ATOM 877 N ASN A 69 35.365 23.498 13.890 1.00 0.00 N ATOM 878 CA ASN A 69 36.043 23.236 12.660 1.00 0.00 C ATOM 879 C ASN A 69 35.184 23.386 11.451 1.00 0.00 C ATOM 880 O ASN A 69 35.457 22.853 10.377 1.00 0.00 O ATOM 881 CB ASN A 69 36.789 21.891 12.705 1.00 0.00 C ATOM 882 CG ASN A 69 37.989 21.843 11.770 1.00 0.00 C ATOM 883 OD1 ASN A 69 37.954 21.329 10.653 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.142 22.384 12.244 1.00 0.00 N ATOM 0 H ASN A 69 35.756 24.299 14.385 1.00 0.00 H new ATOM 0 HA ASN A 69 36.794 24.019 12.555 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.123 21.701 13.725 1.00 0.00 H new ATOM 0 HB3 ASN A 69 36.098 21.090 12.442 1.00 0.00 H new ATOM 0 HD21 ASN A 69 39.987 22.366 11.672 1.00 0.00 H new ATOM 0 HD22 ASN A 69 39.163 22.808 13.171 1.00 0.00 H new ATOM 891 N GLY A 70 34.073 24.133 11.574 1.00 0.00 N ATOM 892 CA GLY A 70 33.083 24.280 10.552 1.00 0.00 C ATOM 893 C GLY A 70 32.038 23.218 10.561 1.00 0.00 C ATOM 894 O GLY A 70 31.111 23.246 9.754 1.00 0.00 O ATOM 0 H GLY A 70 33.855 24.657 12.421 1.00 0.00 H new ATOM 0 HA2 GLY A 70 32.600 25.251 10.665 1.00 0.00 H new ATOM 0 HA3 GLY A 70 33.577 24.281 9.580 1.00 0.00 H new ATOM 898 N VAL A 71 32.123 22.247 11.487 1.00 0.00 N ATOM 899 CA VAL A 71 31.161 21.205 11.669 1.00 0.00 C ATOM 900 C VAL A 71 30.079 21.694 12.569 1.00 0.00 C ATOM 901 O VAL A 71 30.329 22.066 13.715 1.00 0.00 O ATOM 902 CB VAL A 71 31.765 19.942 12.208 1.00 0.00 C ATOM 903 CG1 VAL A 71 30.732 18.803 12.198 1.00 0.00 C ATOM 904 CG2 VAL A 71 32.996 19.555 11.371 1.00 0.00 C ATOM 0 H VAL A 71 32.902 22.186 12.142 1.00 0.00 H new ATOM 0 HA VAL A 71 30.752 20.953 10.690 1.00 0.00 H new ATOM 0 HB VAL A 71 32.075 20.112 13.239 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.188 17.895 12.592 1.00 0.00 H new ATOM 0 HG12 VAL A 71 29.879 19.080 12.818 1.00 0.00 H new ATOM 0 HG13 VAL A 71 30.396 18.626 11.176 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.431 18.637 11.767 1.00 0.00 H new ATOM 0 HG22 VAL A 71 32.697 19.398 10.335 1.00 0.00 H new ATOM 0 HG23 VAL A 71 33.734 20.356 11.418 1.00 0.00 H new ATOM 914 N SER A 72 28.828 21.767 12.079 1.00 0.00 N ATOM 915 CA SER A 72 27.743 22.356 12.801 1.00 0.00 C ATOM 916 C SER A 72 27.218 21.497 13.899 1.00 0.00 C ATOM 917 O SER A 72 26.974 20.302 13.740 1.00 0.00 O ATOM 918 CB SER A 72 26.589 22.846 11.910 1.00 0.00 C ATOM 919 OG SER A 72 26.017 21.844 11.083 1.00 0.00 O ATOM 0 H SER A 72 28.565 21.409 11.161 1.00 0.00 H new ATOM 0 HA SER A 72 28.195 23.237 13.257 1.00 0.00 H new ATOM 0 HB2 SER A 72 25.808 23.264 12.546 1.00 0.00 H new ATOM 0 HB3 SER A 72 26.953 23.656 11.278 1.00 0.00 H new ATOM 0 HG SER A 72 25.292 22.234 10.551 1.00 0.00 H new ATOM 925 N LEU A 73 27.041 22.100 15.088 1.00 0.00 N ATOM 926 CA LEU A 73 26.773 21.389 16.299 1.00 0.00 C ATOM 927 C LEU A 73 25.331 21.071 16.502 1.00 0.00 C ATOM 928 O LEU A 73 24.988 20.254 17.354 1.00 0.00 O ATOM 929 CB LEU A 73 27.298 22.148 17.528 1.00 0.00 C ATOM 930 CG LEU A 73 28.827 22.101 17.686 1.00 0.00 C ATOM 931 CD1 LEU A 73 29.239 23.041 18.830 1.00 0.00 C ATOM 932 CD2 LEU A 73 29.346 20.679 17.956 1.00 0.00 C ATOM 0 H LEU A 73 27.086 23.112 15.210 1.00 0.00 H new ATOM 0 HA LEU A 73 27.306 20.444 16.191 1.00 0.00 H new ATOM 0 HB2 LEU A 73 26.982 23.189 17.462 1.00 0.00 H new ATOM 0 HB3 LEU A 73 26.837 21.731 18.424 1.00 0.00 H new ATOM 0 HG LEU A 73 29.274 22.426 16.746 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.322 23.015 18.950 1.00 0.00 H new ATOM 0 HD12 LEU A 73 28.924 24.058 18.596 1.00 0.00 H new ATOM 0 HD13 LEU A 73 28.763 22.718 19.756 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.431 20.701 18.060 1.00 0.00 H new ATOM 0 HD22 LEU A 73 28.901 20.298 18.875 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.074 20.028 17.125 1.00 0.00 H new ATOM 944 N GLU A 74 24.397 21.668 15.740 1.00 0.00 N ATOM 945 CA GLU A 74 23.012 21.322 15.821 1.00 0.00 C ATOM 946 C GLU A 74 22.746 19.914 15.414 1.00 0.00 C ATOM 947 O GLU A 74 23.275 19.419 14.418 1.00 0.00 O ATOM 948 CB GLU A 74 22.108 22.268 15.012 1.00 0.00 C ATOM 949 CG GLU A 74 22.010 23.683 15.585 1.00 0.00 C ATOM 950 CD GLU A 74 23.209 24.583 15.324 1.00 0.00 C ATOM 951 OE1 GLU A 74 24.041 24.275 14.428 1.00 0.00 O ATOM 952 OE2 GLU A 74 23.268 25.656 15.983 1.00 0.00 O ATOM 0 H GLU A 74 24.605 22.399 15.060 1.00 0.00 H new ATOM 0 HA GLU A 74 22.762 21.431 16.876 1.00 0.00 H new ATOM 0 HB2 GLU A 74 22.484 22.327 13.991 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.107 21.839 14.959 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.122 24.162 15.172 1.00 0.00 H new ATOM 0 HG3 GLU A 74 21.861 23.610 16.662 1.00 0.00 H new ATOM 959 N GLY A 75 21.975 19.179 16.234 1.00 0.00 N ATOM 960 CA GLY A 75 21.752 17.773 16.093 1.00 0.00 C ATOM 961 C GLY A 75 22.632 16.938 16.958 1.00 0.00 C ATOM 962 O GLY A 75 22.252 15.844 17.367 1.00 0.00 O ATOM 0 H GLY A 75 21.484 19.583 17.032 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.711 17.554 16.330 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.908 17.492 15.052 1.00 0.00 H new ATOM 966 N ALA A 76 23.856 17.412 17.258 1.00 0.00 N ATOM 967 CA ALA A 76 24.827 16.707 18.036 1.00 0.00 C ATOM 968 C ALA A 76 24.510 16.597 19.487 1.00 0.00 C ATOM 969 O ALA A 76 23.775 17.394 20.068 1.00 0.00 O ATOM 970 CB ALA A 76 26.214 17.351 17.877 1.00 0.00 C ATOM 0 H ALA A 76 24.182 18.326 16.944 1.00 0.00 H new ATOM 0 HA ALA A 76 24.815 15.692 17.640 1.00 0.00 H new ATOM 0 HB1 ALA A 76 26.941 16.802 18.476 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.511 17.321 16.829 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.175 18.387 18.214 1.00 0.00 H new ATOM 976 N THR A 77 25.094 15.582 20.148 1.00 0.00 N ATOM 977 CA THR A 77 24.946 15.344 21.550 1.00 0.00 C ATOM 978 C THR A 77 25.966 16.085 22.345 1.00 0.00 C ATOM 979 O THR A 77 26.900 16.679 21.808 1.00 0.00 O ATOM 980 CB THR A 77 24.958 13.882 21.889 1.00 0.00 C ATOM 981 OG1 THR A 77 26.189 13.244 21.587 1.00 0.00 O ATOM 982 CG2 THR A 77 23.883 13.199 21.027 1.00 0.00 C ATOM 0 H THR A 77 25.694 14.899 19.686 1.00 0.00 H new ATOM 0 HA THR A 77 23.963 15.728 21.823 1.00 0.00 H new ATOM 0 HB THR A 77 24.786 13.796 22.962 1.00 0.00 H new ATOM 0 HG1 THR A 77 26.135 12.296 21.831 1.00 0.00 H new ATOM 0 HG21 THR A 77 23.864 12.132 21.248 1.00 0.00 H new ATOM 0 HG22 THR A 77 22.908 13.633 21.249 1.00 0.00 H new ATOM 0 HG23 THR A 77 24.114 13.347 19.972 1.00 0.00 H new ATOM 990 N HIS A 78 25.845 16.070 23.685 1.00 0.00 N ATOM 991 CA HIS A 78 26.803 16.659 24.567 1.00 0.00 C ATOM 992 C HIS A 78 28.132 15.992 24.479 1.00 0.00 C ATOM 993 O HIS A 78 29.171 16.644 24.389 1.00 0.00 O ATOM 994 CB HIS A 78 26.315 16.651 26.026 1.00 0.00 C ATOM 995 CG HIS A 78 27.163 17.490 26.935 1.00 0.00 C ATOM 996 ND1 HIS A 78 28.233 17.029 27.677 1.00 0.00 N ATOM 997 CD2 HIS A 78 27.151 18.839 27.110 1.00 0.00 C ATOM 998 CE1 HIS A 78 28.817 18.114 28.251 1.00 0.00 C ATOM 999 NE2 HIS A 78 28.186 19.231 27.935 1.00 0.00 N ATOM 0 H HIS A 78 25.058 15.636 24.168 1.00 0.00 H new ATOM 0 HA HIS A 78 26.917 17.693 24.242 1.00 0.00 H new ATOM 0 HB2 HIS A 78 25.287 17.013 26.061 1.00 0.00 H new ATOM 0 HB3 HIS A 78 26.304 15.625 26.394 1.00 0.00 H new ATOM 0 HD1 HIS A 78 28.529 16.058 27.776 1.00 0.00 H new ATOM 0 HD2 HIS A 78 26.431 19.510 26.665 1.00 0.00 H new ATOM 0 HE1 HIS A 78 29.689 18.069 28.887 1.00 0.00 H new ATOM 1007 N LYS A 79 28.130 14.648 24.435 1.00 0.00 N ATOM 1008 CA LYS A 79 29.256 13.800 24.191 1.00 0.00 C ATOM 1009 C LYS A 79 29.991 14.100 22.931 1.00 0.00 C ATOM 1010 O LYS A 79 31.217 14.196 22.938 1.00 0.00 O ATOM 1011 CB LYS A 79 28.774 12.340 24.196 1.00 0.00 C ATOM 1012 CG LYS A 79 29.831 11.259 23.967 1.00 0.00 C ATOM 1013 CD LYS A 79 30.880 11.153 25.076 1.00 0.00 C ATOM 1014 CE LYS A 79 31.866 10.010 24.829 1.00 0.00 C ATOM 1015 NZ LYS A 79 32.847 9.920 25.933 1.00 0.00 N ATOM 0 H LYS A 79 27.274 14.114 24.582 1.00 0.00 H new ATOM 0 HA LYS A 79 29.976 13.984 24.988 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.293 12.145 25.154 1.00 0.00 H new ATOM 0 HB3 LYS A 79 28.008 12.233 23.427 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.331 10.296 23.864 1.00 0.00 H new ATOM 0 HG3 LYS A 79 30.338 11.458 23.023 1.00 0.00 H new ATOM 0 HD2 LYS A 79 31.427 12.093 25.148 1.00 0.00 H new ATOM 0 HD3 LYS A 79 30.381 11.000 26.033 1.00 0.00 H new ATOM 0 HE2 LYS A 79 31.324 9.068 24.739 1.00 0.00 H new ATOM 0 HE3 LYS A 79 32.387 10.170 23.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 33.508 9.139 25.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 33.377 10.813 26.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 32.347 9.746 26.828 1.00 0.00 H new ATOM 1029 N GLN A 80 29.283 14.319 21.808 1.00 0.00 N ATOM 1030 CA GLN A 80 29.870 14.701 20.561 1.00 0.00 C ATOM 1031 C GLN A 80 30.697 15.937 20.639 1.00 0.00 C ATOM 1032 O GLN A 80 31.864 15.939 20.251 1.00 0.00 O ATOM 1033 CB GLN A 80 28.827 14.925 19.452 1.00 0.00 C ATOM 1034 CG GLN A 80 28.359 13.655 18.741 1.00 0.00 C ATOM 1035 CD GLN A 80 29.520 12.965 18.039 1.00 0.00 C ATOM 1036 OE1 GLN A 80 30.291 13.570 17.295 1.00 0.00 O ATOM 1037 NE2 GLN A 80 29.666 11.638 18.298 1.00 0.00 N ATOM 0 H GLN A 80 28.268 14.227 21.767 1.00 0.00 H new ATOM 0 HA GLN A 80 30.509 13.852 20.317 1.00 0.00 H new ATOM 0 HB2 GLN A 80 27.959 15.422 19.885 1.00 0.00 H new ATOM 0 HB3 GLN A 80 29.247 15.605 18.711 1.00 0.00 H new ATOM 0 HG2 GLN A 80 27.909 12.974 19.463 1.00 0.00 H new ATOM 0 HG3 GLN A 80 27.586 13.904 18.014 1.00 0.00 H new ATOM 0 HE21 GLN A 80 29.010 11.165 18.919 1.00 0.00 H new ATOM 0 HE22 GLN A 80 30.431 11.116 17.871 1.00 0.00 H new ATOM 1046 N ALA A 81 30.122 17.049 21.132 1.00 0.00 N ATOM 1047 CA ALA A 81 30.791 18.306 21.262 1.00 0.00 C ATOM 1048 C ALA A 81 31.953 18.293 22.194 1.00 0.00 C ATOM 1049 O ALA A 81 32.963 18.933 21.907 1.00 0.00 O ATOM 1050 CB ALA A 81 29.768 19.376 21.679 1.00 0.00 C ATOM 0 H ALA A 81 29.154 17.073 21.452 1.00 0.00 H new ATOM 0 HA ALA A 81 31.218 18.539 20.287 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.269 20.339 21.781 1.00 0.00 H new ATOM 0 HB2 ALA A 81 28.990 19.451 20.920 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.319 19.098 22.633 1.00 0.00 H new ATOM 1056 N VAL A 82 31.911 17.518 23.293 1.00 0.00 N ATOM 1057 CA VAL A 82 33.003 17.344 24.199 1.00 0.00 C ATOM 1058 C VAL A 82 34.152 16.687 23.514 1.00 0.00 C ATOM 1059 O VAL A 82 35.255 17.230 23.491 1.00 0.00 O ATOM 1060 CB VAL A 82 32.648 16.576 25.437 1.00 0.00 C ATOM 1061 CG1 VAL A 82 33.882 16.186 26.268 1.00 0.00 C ATOM 1062 CG2 VAL A 82 31.738 17.448 26.319 1.00 0.00 C ATOM 0 H VAL A 82 31.080 16.990 23.561 1.00 0.00 H new ATOM 0 HA VAL A 82 33.280 18.347 24.522 1.00 0.00 H new ATOM 0 HB VAL A 82 32.151 15.660 25.117 1.00 0.00 H new ATOM 0 HG11 VAL A 82 33.565 15.632 27.152 1.00 0.00 H new ATOM 0 HG12 VAL A 82 34.543 15.562 25.667 1.00 0.00 H new ATOM 0 HG13 VAL A 82 34.413 17.087 26.575 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.473 16.899 27.223 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.264 18.363 26.591 1.00 0.00 H new ATOM 0 HG23 VAL A 82 30.831 17.700 25.769 1.00 0.00 H new ATOM 1072 N GLU A 83 33.927 15.525 22.876 1.00 0.00 N ATOM 1073 CA GLU A 83 34.941 14.801 22.174 1.00 0.00 C ATOM 1074 C GLU A 83 35.520 15.566 21.033 1.00 0.00 C ATOM 1075 O GLU A 83 36.727 15.567 20.794 1.00 0.00 O ATOM 1076 CB GLU A 83 34.411 13.458 21.645 1.00 0.00 C ATOM 1077 CG GLU A 83 34.081 12.418 22.718 1.00 0.00 C ATOM 1078 CD GLU A 83 35.303 11.739 23.320 1.00 0.00 C ATOM 1079 OE1 GLU A 83 35.992 12.347 24.183 1.00 0.00 O ATOM 1080 OE2 GLU A 83 35.556 10.554 22.975 1.00 0.00 O ATOM 0 H GLU A 83 33.012 15.075 22.847 1.00 0.00 H new ATOM 0 HA GLU A 83 35.729 14.628 22.907 1.00 0.00 H new ATOM 0 HB2 GLU A 83 33.513 13.647 21.057 1.00 0.00 H new ATOM 0 HB3 GLU A 83 35.153 13.035 20.968 1.00 0.00 H new ATOM 0 HG2 GLU A 83 33.517 12.901 23.516 1.00 0.00 H new ATOM 0 HG3 GLU A 83 33.432 11.657 22.284 1.00 0.00 H new ATOM 1087 N THR A 84 34.663 16.297 20.299 1.00 0.00 N ATOM 1088 CA THR A 84 34.992 17.115 19.174 1.00 0.00 C ATOM 1089 C THR A 84 35.826 18.297 19.531 1.00 0.00 C ATOM 1090 O THR A 84 36.792 18.595 18.830 1.00 0.00 O ATOM 1091 CB THR A 84 33.759 17.544 18.436 1.00 0.00 C ATOM 1092 OG1 THR A 84 33.085 16.396 17.941 1.00 0.00 O ATOM 1093 CG2 THR A 84 34.031 18.447 17.221 1.00 0.00 C ATOM 0 H THR A 84 33.665 16.317 20.509 1.00 0.00 H new ATOM 0 HA THR A 84 35.598 16.491 18.517 1.00 0.00 H new ATOM 0 HB THR A 84 33.173 18.111 19.159 1.00 0.00 H new ATOM 0 HG1 THR A 84 32.412 16.106 18.592 1.00 0.00 H new ATOM 0 HG21 THR A 84 33.087 18.711 16.745 1.00 0.00 H new ATOM 0 HG22 THR A 84 34.538 19.354 17.548 1.00 0.00 H new ATOM 0 HG23 THR A 84 34.661 17.916 16.507 1.00 0.00 H new ATOM 1101 N LEU A 85 35.529 19.000 20.639 1.00 0.00 N ATOM 1102 CA LEU A 85 36.346 20.059 21.143 1.00 0.00 C ATOM 1103 C LEU A 85 37.643 19.582 21.699 1.00 0.00 C ATOM 1104 O LEU A 85 38.675 20.231 21.531 1.00 0.00 O ATOM 1105 CB LEU A 85 35.611 20.858 22.233 1.00 0.00 C ATOM 1106 CG LEU A 85 34.498 21.781 21.708 1.00 0.00 C ATOM 1107 CD1 LEU A 85 33.627 22.283 22.872 1.00 0.00 C ATOM 1108 CD2 LEU A 85 35.073 22.967 20.915 1.00 0.00 C ATOM 0 H LEU A 85 34.695 18.826 21.201 1.00 0.00 H new ATOM 0 HA LEU A 85 36.556 20.697 20.285 1.00 0.00 H new ATOM 0 HB2 LEU A 85 35.178 20.159 22.948 1.00 0.00 H new ATOM 0 HB3 LEU A 85 36.339 21.461 22.777 1.00 0.00 H new ATOM 0 HG LEU A 85 33.877 21.199 21.027 1.00 0.00 H new ATOM 0 HD11 LEU A 85 32.844 22.935 22.485 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.173 21.432 23.380 1.00 0.00 H new ATOM 0 HD13 LEU A 85 34.246 22.838 23.577 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.257 23.597 20.560 1.00 0.00 H new ATOM 0 HD22 LEU A 85 35.729 23.552 21.560 1.00 0.00 H new ATOM 0 HD23 LEU A 85 35.641 22.594 20.063 1.00 0.00 H new ATOM 1120 N ARG A 86 37.665 18.414 22.366 1.00 0.00 N ATOM 1121 CA ARG A 86 38.852 17.768 22.835 1.00 0.00 C ATOM 1122 C ARG A 86 39.800 17.424 21.739 1.00 0.00 C ATOM 1123 O ARG A 86 40.961 17.831 21.747 1.00 0.00 O ATOM 1124 CB ARG A 86 38.505 16.516 23.658 1.00 0.00 C ATOM 1125 CG ARG A 86 38.881 16.588 25.139 1.00 0.00 C ATOM 1126 CD ARG A 86 38.225 17.701 25.958 1.00 0.00 C ATOM 1127 NE ARG A 86 38.849 17.592 27.306 1.00 0.00 N ATOM 1128 CZ ARG A 86 39.391 18.640 27.993 1.00 0.00 C ATOM 1129 NH1 ARG A 86 39.018 19.933 27.759 1.00 0.00 N ATOM 1130 NH2 ARG A 86 40.328 18.372 28.949 1.00 0.00 N ATOM 0 H ARG A 86 36.815 17.896 22.589 1.00 0.00 H new ATOM 0 HA ARG A 86 39.360 18.488 23.476 1.00 0.00 H new ATOM 0 HB2 ARG A 86 37.433 16.334 23.580 1.00 0.00 H new ATOM 0 HB3 ARG A 86 39.007 15.657 23.213 1.00 0.00 H new ATOM 0 HG2 ARG A 86 38.632 15.633 25.601 1.00 0.00 H new ATOM 0 HG3 ARG A 86 39.962 16.704 25.211 1.00 0.00 H new ATOM 0 HD2 ARG A 86 38.407 18.680 25.515 1.00 0.00 H new ATOM 0 HD3 ARG A 86 37.144 17.571 26.010 1.00 0.00 H new ATOM 0 HE ARG A 86 38.873 16.672 27.746 1.00 0.00 H new ATOM 0 HH11 ARG A 86 38.313 20.140 27.052 1.00 0.00 H new ATOM 0 HH12 ARG A 86 39.444 20.691 28.292 1.00 0.00 H new ATOM 0 HH21 ARG A 86 40.606 17.408 29.134 1.00 0.00 H new ATOM 0 HH22 ARG A 86 40.750 19.135 29.478 1.00 0.00 H new ATOM 1144 N ASN A 87 39.320 16.705 20.710 1.00 0.00 N ATOM 1145 CA ASN A 87 40.079 16.227 19.595 1.00 0.00 C ATOM 1146 C ASN A 87 40.291 17.270 18.553 1.00 0.00 C ATOM 1147 O ASN A 87 40.207 17.027 17.351 1.00 0.00 O ATOM 1148 CB ASN A 87 39.375 14.980 19.031 1.00 0.00 C ATOM 1149 CG ASN A 87 40.320 14.013 18.333 1.00 0.00 C ATOM 1150 OD1 ASN A 87 41.534 14.195 18.265 1.00 0.00 O ATOM 1151 ND2 ASN A 87 39.747 12.894 17.815 1.00 0.00 N ATOM 0 H ASN A 87 38.337 16.440 20.653 1.00 0.00 H new ATOM 0 HA ASN A 87 41.080 15.962 19.935 1.00 0.00 H new ATOM 0 HB2 ASN A 87 38.870 14.459 19.844 1.00 0.00 H new ATOM 0 HB3 ASN A 87 38.605 15.295 18.327 1.00 0.00 H new ATOM 0 HD21 ASN A 87 40.326 12.188 17.360 1.00 0.00 H new ATOM 0 HD22 ASN A 87 38.738 12.760 17.881 1.00 0.00 H new ATOM 1158 N THR A 88 40.618 18.503 18.980 1.00 0.00 N ATOM 1159 CA THR A 88 41.081 19.601 18.191 1.00 0.00 C ATOM 1160 C THR A 88 42.570 19.574 18.157 1.00 0.00 C ATOM 1161 O THR A 88 43.211 18.999 19.035 1.00 0.00 O ATOM 1162 CB THR A 88 40.575 20.934 18.657 1.00 0.00 C ATOM 1163 OG1 THR A 88 40.786 21.126 20.048 1.00 0.00 O ATOM 1164 CG2 THR A 88 39.060 21.044 18.415 1.00 0.00 C ATOM 0 H THR A 88 40.551 18.751 19.967 1.00 0.00 H new ATOM 0 HA THR A 88 40.676 19.479 17.186 1.00 0.00 H new ATOM 0 HB THR A 88 41.126 21.686 18.092 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.002 20.810 20.544 1.00 0.00 H new ATOM 0 HG21 THR A 88 38.706 22.016 18.758 1.00 0.00 H new ATOM 0 HG22 THR A 88 38.853 20.937 17.350 1.00 0.00 H new ATOM 0 HG23 THR A 88 38.546 20.256 18.965 1.00 0.00 H new ATOM 1172 N GLY A 89 43.191 20.160 17.118 1.00 0.00 N ATOM 1173 CA GLY A 89 44.606 20.115 16.918 1.00 0.00 C ATOM 1174 C GLY A 89 45.351 21.210 17.599 1.00 0.00 C ATOM 1175 O GLY A 89 45.041 21.603 18.722 1.00 0.00 O ATOM 0 H GLY A 89 42.694 20.681 16.395 1.00 0.00 H new ATOM 0 HA2 GLY A 89 44.982 19.157 17.276 1.00 0.00 H new ATOM 0 HA3 GLY A 89 44.813 20.160 15.849 1.00 0.00 H new ATOM 1179 N GLN A 90 46.380 21.755 16.927 1.00 0.00 N ATOM 1180 CA GLN A 90 47.167 22.849 17.407 1.00 0.00 C ATOM 1181 C GLN A 90 46.407 24.130 17.396 1.00 0.00 C ATOM 1182 O GLN A 90 46.272 24.800 18.419 1.00 0.00 O ATOM 1183 CB GLN A 90 48.445 22.931 16.553 1.00 0.00 C ATOM 1184 CG GLN A 90 49.643 23.650 17.175 1.00 0.00 C ATOM 1185 CD GLN A 90 49.715 25.131 16.831 1.00 0.00 C ATOM 1186 OE1 GLN A 90 49.963 25.519 15.691 1.00 0.00 O ATOM 1187 NE2 GLN A 90 49.537 26.006 17.856 1.00 0.00 N ATOM 0 H GLN A 90 46.677 21.420 16.011 1.00 0.00 H new ATOM 0 HA GLN A 90 47.434 22.676 18.450 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.751 21.916 16.301 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.197 23.431 15.617 1.00 0.00 H new ATOM 0 HG2 GLN A 90 49.599 23.540 18.259 1.00 0.00 H new ATOM 0 HG3 GLN A 90 50.560 23.164 16.842 1.00 0.00 H new ATOM 0 HE21 GLN A 90 49.332 25.659 18.793 1.00 0.00 H new ATOM 0 HE22 GLN A 90 49.608 27.010 17.688 1.00 0.00 H new ATOM 1196 N VAL A 91 45.832 24.486 16.234 1.00 0.00 N ATOM 1197 CA VAL A 91 44.893 25.555 16.085 1.00 0.00 C ATOM 1198 C VAL A 91 43.511 24.997 16.092 1.00 0.00 C ATOM 1199 O VAL A 91 43.192 23.971 15.493 1.00 0.00 O ATOM 1200 CB VAL A 91 45.143 26.405 14.875 1.00 0.00 C ATOM 1201 CG1 VAL A 91 44.074 27.490 14.663 1.00 0.00 C ATOM 1202 CG2 VAL A 91 46.508 27.092 15.045 1.00 0.00 C ATOM 0 H VAL A 91 46.031 24.006 15.356 1.00 0.00 H new ATOM 0 HA VAL A 91 45.020 26.229 16.932 1.00 0.00 H new ATOM 0 HB VAL A 91 45.114 25.751 14.004 1.00 0.00 H new ATOM 0 HG11 VAL A 91 44.315 28.069 13.771 1.00 0.00 H new ATOM 0 HG12 VAL A 91 43.098 27.020 14.538 1.00 0.00 H new ATOM 0 HG13 VAL A 91 44.050 28.151 15.529 1.00 0.00 H new ATOM 0 HG21 VAL A 91 46.712 27.717 14.175 1.00 0.00 H new ATOM 0 HG22 VAL A 91 46.494 27.712 15.942 1.00 0.00 H new ATOM 0 HG23 VAL A 91 47.287 26.335 15.139 1.00 0.00 H new ATOM 1212 N VAL A 92 42.629 25.683 16.841 1.00 0.00 N ATOM 1213 CA VAL A 92 41.257 25.379 17.105 1.00 0.00 C ATOM 1214 C VAL A 92 40.416 26.402 16.423 1.00 0.00 C ATOM 1215 O VAL A 92 40.500 27.595 16.709 1.00 0.00 O ATOM 1216 CB VAL A 92 41.012 25.376 18.585 1.00 0.00 C ATOM 1217 CG1 VAL A 92 39.552 24.979 18.861 1.00 0.00 C ATOM 1218 CG2 VAL A 92 41.958 24.330 19.201 1.00 0.00 C ATOM 0 H VAL A 92 42.911 26.543 17.311 1.00 0.00 H new ATOM 0 HA VAL A 92 41.002 24.390 16.726 1.00 0.00 H new ATOM 0 HB VAL A 92 41.192 26.362 19.014 1.00 0.00 H new ATOM 0 HG11 VAL A 92 39.373 24.976 19.936 1.00 0.00 H new ATOM 0 HG12 VAL A 92 38.884 25.695 18.383 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.364 23.983 18.459 1.00 0.00 H new ATOM 0 HG21 VAL A 92 41.810 24.297 20.280 1.00 0.00 H new ATOM 0 HG22 VAL A 92 41.743 23.350 18.775 1.00 0.00 H new ATOM 0 HG23 VAL A 92 42.991 24.601 18.984 1.00 0.00 H new ATOM 1228 N HIS A 93 39.574 25.980 15.462 1.00 0.00 N ATOM 1229 CA HIS A 93 38.702 26.857 14.743 1.00 0.00 C ATOM 1230 C HIS A 93 37.292 26.711 15.201 1.00 0.00 C ATOM 1231 O HIS A 93 36.624 25.739 14.853 1.00 0.00 O ATOM 1232 CB HIS A 93 38.706 26.550 13.236 1.00 0.00 C ATOM 1233 CG HIS A 93 40.033 26.731 12.560 1.00 0.00 C ATOM 1234 ND1 HIS A 93 40.363 26.111 11.372 1.00 0.00 N ATOM 1235 CD2 HIS A 93 41.068 27.568 12.838 1.00 0.00 C ATOM 1236 CE1 HIS A 93 41.578 26.592 10.998 1.00 0.00 C ATOM 1237 NE2 HIS A 93 42.033 27.487 11.855 1.00 0.00 N ATOM 0 H HIS A 93 39.498 25.003 15.178 1.00 0.00 H new ATOM 0 HA HIS A 93 39.072 27.865 14.931 1.00 0.00 H new ATOM 0 HB2 HIS A 93 38.376 25.522 13.088 1.00 0.00 H new ATOM 0 HB3 HIS A 93 37.974 27.193 12.747 1.00 0.00 H new ATOM 0 HD2 HIS A 93 41.127 28.207 13.707 1.00 0.00 H new ATOM 0 HE1 HIS A 93 42.106 26.280 10.109 1.00 0.00 H new ATOM 0 HE2 HIS A 93 42.909 28.007 11.802 1.00 0.00 H new ATOM 1245 N LEU A 94 36.765 27.664 15.991 1.00 0.00 N ATOM 1246 CA LEU A 94 35.380 27.703 16.344 1.00 0.00 C ATOM 1247 C LEU A 94 34.613 28.779 15.653 1.00 0.00 C ATOM 1248 O LEU A 94 35.161 29.745 15.125 1.00 0.00 O ATOM 1249 CB LEU A 94 35.137 27.896 17.850 1.00 0.00 C ATOM 1250 CG LEU A 94 35.976 27.014 18.790 1.00 0.00 C ATOM 1251 CD1 LEU A 94 35.522 27.283 20.235 1.00 0.00 C ATOM 1252 CD2 LEU A 94 35.850 25.512 18.482 1.00 0.00 C ATOM 0 H LEU A 94 37.314 28.424 16.393 1.00 0.00 H new ATOM 0 HA LEU A 94 35.026 26.724 16.022 1.00 0.00 H new ATOM 0 HB2 LEU A 94 35.329 28.940 18.097 1.00 0.00 H new ATOM 0 HB3 LEU A 94 34.083 27.709 18.054 1.00 0.00 H new ATOM 0 HG LEU A 94 37.025 27.273 18.645 1.00 0.00 H new ATOM 0 HD11 LEU A 94 36.105 26.667 20.920 1.00 0.00 H new ATOM 0 HD12 LEU A 94 35.674 28.335 20.474 1.00 0.00 H new ATOM 0 HD13 LEU A 94 34.465 27.037 20.336 1.00 0.00 H new ATOM 0 HD21 LEU A 94 36.466 24.945 19.180 1.00 0.00 H new ATOM 0 HD22 LEU A 94 34.809 25.206 18.585 1.00 0.00 H new ATOM 0 HD23 LEU A 94 36.186 25.320 17.463 1.00 0.00 H new ATOM 1264 N LEU A 95 33.275 28.650 15.681 1.00 0.00 N ATOM 1265 CA LEU A 95 32.346 29.720 15.483 1.00 0.00 C ATOM 1266 C LEU A 95 31.379 29.718 16.617 1.00 0.00 C ATOM 1267 O LEU A 95 30.863 28.669 16.998 1.00 0.00 O ATOM 1268 CB LEU A 95 31.588 29.559 14.155 1.00 0.00 C ATOM 1269 CG LEU A 95 30.535 30.640 13.856 1.00 0.00 C ATOM 1270 CD1 LEU A 95 31.162 32.020 13.598 1.00 0.00 C ATOM 1271 CD2 LEU A 95 29.664 30.203 12.666 1.00 0.00 C ATOM 0 H LEU A 95 32.818 27.754 15.850 1.00 0.00 H new ATOM 0 HA LEU A 95 32.890 30.664 15.444 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.314 29.549 13.342 1.00 0.00 H new ATOM 0 HB3 LEU A 95 31.095 28.587 14.154 1.00 0.00 H new ATOM 0 HG LEU A 95 29.911 30.746 14.743 1.00 0.00 H new ATOM 0 HD11 LEU A 95 30.374 32.745 13.392 1.00 0.00 H new ATOM 0 HD12 LEU A 95 31.724 32.334 14.477 1.00 0.00 H new ATOM 0 HD13 LEU A 95 31.833 31.960 12.741 1.00 0.00 H new ATOM 0 HD21 LEU A 95 28.920 30.972 12.458 1.00 0.00 H new ATOM 0 HD22 LEU A 95 30.293 30.060 11.788 1.00 0.00 H new ATOM 0 HD23 LEU A 95 29.161 29.267 12.908 1.00 0.00 H new ATOM 1283 N LEU A 96 31.082 30.885 17.216 1.00 0.00 N ATOM 1284 CA LEU A 96 30.147 30.994 18.292 1.00 0.00 C ATOM 1285 C LEU A 96 29.392 32.278 18.225 1.00 0.00 C ATOM 1286 O LEU A 96 29.760 33.196 17.494 1.00 0.00 O ATOM 1287 CB LEU A 96 30.791 30.757 19.669 1.00 0.00 C ATOM 1288 CG LEU A 96 31.676 31.872 20.251 1.00 0.00 C ATOM 1289 CD1 LEU A 96 30.871 32.867 21.104 1.00 0.00 C ATOM 1290 CD2 LEU A 96 32.784 31.264 21.127 1.00 0.00 C ATOM 0 H LEU A 96 31.502 31.774 16.946 1.00 0.00 H new ATOM 0 HA LEU A 96 29.424 30.188 18.168 1.00 0.00 H new ATOM 0 HB2 LEU A 96 29.991 30.558 20.382 1.00 0.00 H new ATOM 0 HB3 LEU A 96 31.394 29.851 19.605 1.00 0.00 H new ATOM 0 HG LEU A 96 32.105 32.409 19.405 1.00 0.00 H new ATOM 0 HD11 LEU A 96 31.539 33.636 21.493 1.00 0.00 H new ATOM 0 HD12 LEU A 96 30.100 33.333 20.490 1.00 0.00 H new ATOM 0 HD13 LEU A 96 30.403 32.339 21.934 1.00 0.00 H new ATOM 0 HD21 LEU A 96 33.405 32.062 21.534 1.00 0.00 H new ATOM 0 HD22 LEU A 96 32.334 30.701 21.945 1.00 0.00 H new ATOM 0 HD23 LEU A 96 33.400 30.597 20.524 1.00 0.00 H new ATOM 1302 N GLU A 97 28.282 32.366 18.978 1.00 0.00 N ATOM 1303 CA GLU A 97 27.402 33.490 19.050 1.00 0.00 C ATOM 1304 C GLU A 97 27.301 33.997 20.447 1.00 0.00 C ATOM 1305 O GLU A 97 27.371 33.246 21.419 1.00 0.00 O ATOM 1306 CB GLU A 97 26.005 33.068 18.567 1.00 0.00 C ATOM 1307 CG GLU A 97 24.961 34.173 18.395 1.00 0.00 C ATOM 1308 CD GLU A 97 23.647 33.649 17.833 1.00 0.00 C ATOM 1309 OE1 GLU A 97 23.487 32.410 17.671 1.00 0.00 O ATOM 1310 OE2 GLU A 97 22.741 34.470 17.530 1.00 0.00 O ATOM 0 H GLU A 97 27.979 31.598 19.578 1.00 0.00 H new ATOM 0 HA GLU A 97 27.800 34.284 18.418 1.00 0.00 H new ATOM 0 HB2 GLU A 97 26.118 32.558 17.610 1.00 0.00 H new ATOM 0 HB3 GLU A 97 25.610 32.337 19.273 1.00 0.00 H new ATOM 0 HG2 GLU A 97 24.777 34.648 19.359 1.00 0.00 H new ATOM 0 HG3 GLU A 97 25.356 34.942 17.731 1.00 0.00 H new ATOM 1317 N LYS A 98 27.070 35.315 20.589 1.00 0.00 N ATOM 1318 CA LYS A 98 26.862 35.992 21.831 1.00 0.00 C ATOM 1319 C LYS A 98 25.509 35.690 22.377 1.00 0.00 C ATOM 1320 O LYS A 98 24.479 35.940 21.751 1.00 0.00 O ATOM 1321 CB LYS A 98 26.932 37.511 21.602 1.00 0.00 C ATOM 1322 CG LYS A 98 26.748 38.412 22.825 1.00 0.00 C ATOM 1323 CD LYS A 98 28.039 38.884 23.497 1.00 0.00 C ATOM 1324 CE LYS A 98 28.870 37.837 24.239 1.00 0.00 C ATOM 1325 NZ LYS A 98 28.189 37.341 25.456 1.00 0.00 N ATOM 0 H LYS A 98 27.026 35.945 19.788 1.00 0.00 H new ATOM 0 HA LYS A 98 27.630 35.658 22.529 1.00 0.00 H new ATOM 0 HB2 LYS A 98 27.899 37.741 21.155 1.00 0.00 H new ATOM 0 HB3 LYS A 98 26.171 37.777 20.869 1.00 0.00 H new ATOM 0 HG2 LYS A 98 26.174 39.289 22.525 1.00 0.00 H new ATOM 0 HG3 LYS A 98 26.150 37.876 23.562 1.00 0.00 H new ATOM 0 HD2 LYS A 98 28.671 39.335 22.732 1.00 0.00 H new ATOM 0 HD3 LYS A 98 27.782 39.673 24.204 1.00 0.00 H new ATOM 0 HE2 LYS A 98 29.075 36.999 23.572 1.00 0.00 H new ATOM 0 HE3 LYS A 98 29.833 38.268 24.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 28.887 37.212 26.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 27.472 38.031 25.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 27.729 36.431 25.250 1.00 0.00 H new