USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 Single : A 12 SER OG : rot -41:sc= 0.318 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -28:sc= -0.496 USER MOD Single : A 21 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.0091) USER MOD Single : A 24 LYS NZ :NH3+ -130:sc= 0.199 (180deg=-0.037) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.0982 (180deg=-0.586) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -64:sc= 1.02 USER MOD Single : A 40 ASN : amide:sc= -0.472 K(o=-0.47,f=-1.5) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.815 K(o=-0.81,f=-0.12) USER MOD Single : A 71 THR OG1 : rot 110:sc= -1.62 USER MOD Single : A 77 ASN : amide:sc= -1.85 X(o=-1.9,f=-1.4!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 8 9.267 11.333 -6.489 1.00 43.32 N ATOM 84 CA ASP A 8 7.975 11.006 -7.081 1.00 1.31 C ATOM 85 C ASP A 8 6.876 11.900 -6.515 1.00 3.24 C ATOM 86 O ASP A 8 5.709 11.771 -6.881 1.00 13.41 O ATOM 87 CB ASP A 8 7.633 9.537 -6.831 1.00 63.55 C ATOM 88 CG ASP A 8 6.658 8.987 -7.854 1.00 10.40 C ATOM 89 OD1 ASP A 8 7.025 8.916 -9.045 1.00 64.01 O ATOM 90 OD2 ASP A 8 5.527 8.630 -7.463 1.00 72.22 O ATOM 0 HA ASP A 8 8.041 11.178 -8.155 1.00 1.31 H new ATOM 0 HB2 ASP A 8 8.548 8.945 -6.851 1.00 63.55 H new ATOM 0 HB3 ASP A 8 7.207 9.431 -5.833 1.00 63.55 H new ATOM 95 N GLU A 9 7.259 12.805 -5.619 1.00 22.22 N ATOM 96 CA GLU A 9 6.305 13.718 -5.001 1.00 3.31 C ATOM 97 C GLU A 9 6.417 15.114 -5.608 1.00 30.13 C ATOM 98 O GLU A 9 5.538 15.956 -5.420 1.00 22.20 O ATOM 99 CB GLU A 9 6.537 13.787 -3.490 1.00 14.21 C ATOM 100 CG GLU A 9 5.410 14.469 -2.732 1.00 41.52 C ATOM 101 CD GLU A 9 5.360 14.064 -1.272 1.00 74.40 C ATOM 102 OE1 GLU A 9 6.235 14.509 -0.501 1.00 62.22 O ATOM 103 OE2 GLU A 9 4.443 13.300 -0.900 1.00 44.54 O ATOM 0 H GLU A 9 8.222 12.925 -5.306 1.00 22.22 H new ATOM 0 HA GLU A 9 5.301 13.337 -5.190 1.00 3.31 H new ATOM 0 HB2 GLU A 9 6.664 12.776 -3.104 1.00 14.21 H new ATOM 0 HB3 GLU A 9 7.468 14.320 -3.298 1.00 14.21 H new ATOM 0 HG2 GLU A 9 5.533 15.550 -2.801 1.00 41.52 H new ATOM 0 HG3 GLU A 9 4.459 14.225 -3.206 1.00 41.52 H new ATOM 110 N ILE A 10 7.503 15.351 -6.335 1.00 4.20 N ATOM 111 CA ILE A 10 7.730 16.644 -6.970 1.00 30.44 C ATOM 112 C ILE A 10 6.512 17.081 -7.777 1.00 22.14 C ATOM 113 O ILE A 10 5.980 18.173 -7.575 1.00 71.41 O ATOM 114 CB ILE A 10 8.960 16.608 -7.896 1.00 11.01 C ATOM 115 CG1 ILE A 10 10.191 16.125 -7.127 1.00 21.03 C ATOM 116 CG2 ILE A 10 9.210 17.983 -8.497 1.00 60.02 C ATOM 117 CD1 ILE A 10 11.459 16.131 -7.951 1.00 44.10 C ATOM 0 H ILE A 10 8.240 14.665 -6.499 1.00 4.20 H new ATOM 0 HA ILE A 10 7.909 17.362 -6.170 1.00 30.44 H new ATOM 0 HB ILE A 10 8.765 15.908 -8.708 1.00 11.01 H new ATOM 0 HG12 ILE A 10 10.334 16.758 -6.251 1.00 21.03 H new ATOM 0 HG13 ILE A 10 10.008 15.114 -6.763 1.00 21.03 H new ATOM 0 HG21 ILE A 10 10.082 17.942 -9.149 1.00 60.02 H new ATOM 0 HG22 ILE A 10 8.339 18.291 -9.075 1.00 60.02 H new ATOM 0 HG23 ILE A 10 9.388 18.703 -7.698 1.00 60.02 H new ATOM 0 HD11 ILE A 10 12.291 15.777 -7.342 1.00 44.10 H new ATOM 0 HD12 ILE A 10 11.336 15.476 -8.813 1.00 44.10 H new ATOM 0 HD13 ILE A 10 11.666 17.145 -8.293 1.00 44.10 H new ATOM 129 N PHE A 11 6.075 16.221 -8.690 1.00 74.41 N ATOM 130 CA PHE A 11 4.918 16.517 -9.528 1.00 3.24 C ATOM 131 C PHE A 11 3.660 16.679 -8.680 1.00 31.20 C ATOM 132 O PHE A 11 2.766 17.455 -9.018 1.00 4.22 O ATOM 133 CB PHE A 11 4.712 15.407 -10.561 1.00 1.44 C ATOM 134 CG PHE A 11 3.851 14.281 -10.066 1.00 30.41 C ATOM 135 CD1 PHE A 11 4.411 13.207 -9.392 1.00 44.15 C ATOM 136 CD2 PHE A 11 2.481 14.295 -10.274 1.00 22.03 C ATOM 137 CE1 PHE A 11 3.621 12.169 -8.937 1.00 24.40 C ATOM 138 CE2 PHE A 11 1.686 13.259 -9.820 1.00 50.41 C ATOM 139 CZ PHE A 11 2.257 12.195 -9.150 1.00 11.41 C ATOM 0 H PHE A 11 6.504 15.313 -8.869 1.00 74.41 H new ATOM 0 HA PHE A 11 5.108 17.456 -10.048 1.00 3.24 H new ATOM 0 HB2 PHE A 11 4.259 15.834 -11.456 1.00 1.44 H new ATOM 0 HB3 PHE A 11 5.684 15.009 -10.854 1.00 1.44 H new ATOM 0 HD1 PHE A 11 5.477 13.181 -9.221 1.00 44.15 H new ATOM 0 HD2 PHE A 11 2.029 15.125 -10.797 1.00 22.03 H new ATOM 0 HE1 PHE A 11 4.070 11.337 -8.415 1.00 24.40 H new ATOM 0 HE2 PHE A 11 0.620 13.282 -9.989 1.00 50.41 H new ATOM 0 HZ PHE A 11 1.638 11.385 -8.793 1.00 11.41 H new ATOM 149 N SER A 12 3.597 15.939 -7.577 1.00 44.33 N ATOM 150 CA SER A 12 2.447 15.996 -6.683 1.00 2.53 C ATOM 151 C SER A 12 2.378 17.345 -5.973 1.00 14.12 C ATOM 152 O SER A 12 1.307 17.940 -5.847 1.00 32.40 O ATOM 153 CB SER A 12 2.519 14.868 -5.652 1.00 63.02 C ATOM 154 OG SER A 12 3.122 13.711 -6.205 1.00 22.33 O ATOM 0 H SER A 12 4.329 15.293 -7.282 1.00 44.33 H new ATOM 0 HA SER A 12 1.545 15.873 -7.283 1.00 2.53 H new ATOM 0 HB2 SER A 12 3.089 15.200 -4.784 1.00 63.02 H new ATOM 0 HB3 SER A 12 1.516 14.627 -5.301 1.00 63.02 H new ATOM 0 HG SER A 12 2.798 13.579 -7.120 1.00 22.33 H new ATOM 160 N LYS A 13 3.528 17.823 -5.510 1.00 32.21 N ATOM 161 CA LYS A 13 3.601 19.102 -4.813 1.00 73.42 C ATOM 162 C LYS A 13 3.256 20.253 -5.752 1.00 40.22 C ATOM 163 O LYS A 13 2.410 21.091 -5.439 1.00 73.32 O ATOM 164 CB LYS A 13 5.000 19.308 -4.228 1.00 34.10 C ATOM 165 CG LYS A 13 5.235 20.711 -3.695 1.00 21.40 C ATOM 166 CD LYS A 13 6.497 20.782 -2.852 1.00 1.13 C ATOM 167 CE LYS A 13 7.597 21.559 -3.559 1.00 12.21 C ATOM 168 NZ LYS A 13 8.950 21.180 -3.065 1.00 55.10 N ATOM 0 H LYS A 13 4.423 17.343 -5.605 1.00 32.21 H new ATOM 0 HA LYS A 13 2.873 19.088 -4.002 1.00 73.42 H new ATOM 0 HB2 LYS A 13 5.157 18.591 -3.422 1.00 34.10 H new ATOM 0 HB3 LYS A 13 5.742 19.091 -4.997 1.00 34.10 H new ATOM 0 HG2 LYS A 13 5.313 21.410 -4.528 1.00 21.40 H new ATOM 0 HG3 LYS A 13 4.379 21.022 -3.097 1.00 21.40 H new ATOM 0 HD2 LYS A 13 6.271 21.256 -1.897 1.00 1.13 H new ATOM 0 HD3 LYS A 13 6.846 19.773 -2.632 1.00 1.13 H new ATOM 0 HE2 LYS A 13 7.538 21.377 -4.632 1.00 12.21 H new ATOM 0 HE3 LYS A 13 7.441 22.627 -3.408 1.00 12.21 H new ATOM 0 HZ1 LYS A 13 9.672 21.732 -3.572 1.00 55.10 H new ATOM 0 HZ2 LYS A 13 9.015 21.377 -2.046 1.00 55.10 H new ATOM 0 HZ3 LYS A 13 9.109 20.166 -3.232 1.00 55.10 H new ATOM 182 N VAL A 14 3.916 20.288 -6.905 1.00 42.45 N ATOM 183 CA VAL A 14 3.678 21.336 -7.891 1.00 75.23 C ATOM 184 C VAL A 14 2.247 21.281 -8.416 1.00 64.34 C ATOM 185 O VAL A 14 1.650 22.311 -8.729 1.00 62.25 O ATOM 186 CB VAL A 14 4.653 21.223 -9.078 1.00 21.52 C ATOM 187 CG1 VAL A 14 4.045 20.383 -10.191 1.00 22.32 C ATOM 188 CG2 VAL A 14 5.033 22.604 -9.588 1.00 43.21 C ATOM 0 H VAL A 14 4.620 19.603 -7.180 1.00 42.45 H new ATOM 0 HA VAL A 14 3.841 22.288 -7.386 1.00 75.23 H new ATOM 0 HB VAL A 14 5.560 20.725 -8.735 1.00 21.52 H new ATOM 0 HG11 VAL A 14 4.748 20.315 -11.021 1.00 22.32 H new ATOM 0 HG12 VAL A 14 3.829 19.383 -9.815 1.00 22.32 H new ATOM 0 HG13 VAL A 14 3.122 20.849 -10.535 1.00 22.32 H new ATOM 0 HG21 VAL A 14 5.722 22.505 -10.427 1.00 43.21 H new ATOM 0 HG22 VAL A 14 4.136 23.130 -9.915 1.00 43.21 H new ATOM 0 HG23 VAL A 14 5.513 23.168 -8.788 1.00 43.21 H new ATOM 198 N ARG A 15 1.703 20.072 -8.510 1.00 23.23 N ATOM 199 CA ARG A 15 0.343 19.882 -8.998 1.00 34.03 C ATOM 200 C ARG A 15 -0.673 20.444 -8.008 1.00 34.03 C ATOM 201 O ARG A 15 -1.617 21.133 -8.395 1.00 43.40 O ATOM 202 CB ARG A 15 0.067 18.397 -9.240 1.00 24.35 C ATOM 203 CG ARG A 15 -1.337 18.112 -9.747 1.00 0.24 C ATOM 204 CD ARG A 15 -1.533 18.628 -11.164 1.00 2.35 C ATOM 205 NE ARG A 15 -0.469 18.183 -12.060 1.00 54.20 N ATOM 206 CZ ARG A 15 -0.318 18.632 -13.301 1.00 55.21 C ATOM 207 NH1 ARG A 15 -1.158 19.534 -13.790 1.00 11.41 N ATOM 208 NH2 ARG A 15 0.674 18.179 -14.056 1.00 23.12 N ATOM 0 H ARG A 15 2.184 19.209 -8.254 1.00 23.23 H new ATOM 0 HA ARG A 15 0.244 20.421 -9.940 1.00 34.03 H new ATOM 0 HB2 ARG A 15 0.789 18.015 -9.962 1.00 24.35 H new ATOM 0 HB3 ARG A 15 0.226 17.851 -8.310 1.00 24.35 H new ATOM 0 HG2 ARG A 15 -1.524 17.038 -9.720 1.00 0.24 H new ATOM 0 HG3 ARG A 15 -2.066 18.579 -9.085 1.00 0.24 H new ATOM 0 HD2 ARG A 15 -2.495 18.285 -11.545 1.00 2.35 H new ATOM 0 HD3 ARG A 15 -1.565 19.717 -11.152 1.00 2.35 H new ATOM 0 HE ARG A 15 0.194 17.490 -11.714 1.00 54.20 H new ATOM 0 HH11 ARG A 15 -1.922 19.885 -13.213 1.00 11.41 H new ATOM 0 HH12 ARG A 15 -1.040 19.877 -14.743 1.00 11.41 H new ATOM 0 HH21 ARG A 15 1.322 17.485 -13.684 1.00 23.12 H new ATOM 0 HH22 ARG A 15 0.789 18.525 -15.009 1.00 23.12 H new ATOM 222 N SER A 16 -0.474 20.144 -6.728 1.00 62.33 N ATOM 223 CA SER A 16 -1.375 20.615 -5.683 1.00 3.10 C ATOM 224 C SER A 16 -1.397 22.140 -5.632 1.00 20.31 C ATOM 225 O SER A 16 -2.365 22.742 -5.167 1.00 74.21 O ATOM 226 CB SER A 16 -0.951 20.054 -4.324 1.00 52.01 C ATOM 227 OG SER A 16 -1.962 20.255 -3.352 1.00 34.11 O ATOM 0 H SER A 16 0.303 19.577 -6.390 1.00 62.33 H new ATOM 0 HA SER A 16 -2.379 20.262 -5.917 1.00 3.10 H new ATOM 0 HB2 SER A 16 -0.738 18.989 -4.417 1.00 52.01 H new ATOM 0 HB3 SER A 16 -0.029 20.536 -3.999 1.00 52.01 H new ATOM 0 HG SER A 16 -1.668 19.887 -2.493 1.00 34.11 H new ATOM 233 N ILE A 17 -0.323 22.757 -6.113 1.00 12.23 N ATOM 234 CA ILE A 17 -0.219 24.211 -6.123 1.00 53.01 C ATOM 235 C ILE A 17 -1.123 24.819 -7.190 1.00 42.15 C ATOM 236 O ILE A 17 -1.943 25.690 -6.901 1.00 12.44 O ATOM 237 CB ILE A 17 1.230 24.670 -6.371 1.00 12.12 C ATOM 238 CG1 ILE A 17 2.135 24.216 -5.224 1.00 12.24 C ATOM 239 CG2 ILE A 17 1.286 26.182 -6.531 1.00 24.10 C ATOM 240 CD1 ILE A 17 3.597 24.136 -5.603 1.00 31.20 C ATOM 0 H ILE A 17 0.487 22.273 -6.501 1.00 12.23 H new ATOM 0 HA ILE A 17 -0.538 24.557 -5.140 1.00 53.01 H new ATOM 0 HB ILE A 17 1.588 24.213 -7.294 1.00 12.12 H new ATOM 0 HG12 ILE A 17 2.022 24.906 -4.388 1.00 12.24 H new ATOM 0 HG13 ILE A 17 1.804 23.237 -4.876 1.00 12.24 H new ATOM 0 HG21 ILE A 17 2.316 26.491 -6.706 1.00 24.10 H new ATOM 0 HG22 ILE A 17 0.669 26.481 -7.378 1.00 24.10 H new ATOM 0 HG23 ILE A 17 0.913 26.658 -5.624 1.00 24.10 H new ATOM 0 HD11 ILE A 17 4.179 23.808 -4.742 1.00 31.20 H new ATOM 0 HD12 ILE A 17 3.723 23.424 -6.419 1.00 31.20 H new ATOM 0 HD13 ILE A 17 3.944 25.119 -5.922 1.00 31.20 H new ATOM 252 N ILE A 18 -0.968 24.353 -8.425 1.00 25.21 N ATOM 253 CA ILE A 18 -1.771 24.849 -9.535 1.00 75.30 C ATOM 254 C ILE A 18 -3.200 24.321 -9.458 1.00 12.12 C ATOM 255 O ILE A 18 -4.143 24.990 -9.881 1.00 33.43 O ATOM 256 CB ILE A 18 -1.162 24.452 -10.893 1.00 34.33 C ATOM 257 CG1 ILE A 18 -1.098 22.928 -11.022 1.00 13.42 C ATOM 258 CG2 ILE A 18 0.223 25.061 -11.050 1.00 71.31 C ATOM 259 CD1 ILE A 18 -0.521 22.457 -12.338 1.00 3.30 C ATOM 0 H ILE A 18 -0.293 23.632 -8.682 1.00 25.21 H new ATOM 0 HA ILE A 18 -1.782 25.936 -9.455 1.00 75.30 H new ATOM 0 HB ILE A 18 -1.800 24.838 -11.688 1.00 34.33 H new ATOM 0 HG12 ILE A 18 -0.496 22.527 -10.206 1.00 13.42 H new ATOM 0 HG13 ILE A 18 -2.102 22.519 -10.908 1.00 13.42 H new ATOM 0 HG21 ILE A 18 0.641 24.772 -12.014 1.00 71.31 H new ATOM 0 HG22 ILE A 18 0.151 26.147 -10.997 1.00 71.31 H new ATOM 0 HG23 ILE A 18 0.871 24.701 -10.251 1.00 71.31 H new ATOM 0 HD11 ILE A 18 -0.506 21.367 -12.360 1.00 3.30 H new ATOM 0 HD12 ILE A 18 -1.136 22.828 -13.158 1.00 3.30 H new ATOM 0 HD13 ILE A 18 0.495 22.836 -12.446 1.00 3.30 H new ATOM 271 N SER A 19 -3.352 23.118 -8.913 1.00 54.22 N ATOM 272 CA SER A 19 -4.666 22.499 -8.782 1.00 12.43 C ATOM 273 C SER A 19 -5.662 23.467 -8.150 1.00 1.32 C ATOM 274 O SER A 19 -6.862 23.397 -8.411 1.00 53.20 O ATOM 275 CB SER A 19 -4.571 21.226 -7.940 1.00 33.43 C ATOM 276 OG SER A 19 -4.184 21.521 -6.609 1.00 45.42 O ATOM 0 H SER A 19 -2.582 22.553 -8.555 1.00 54.22 H new ATOM 0 HA SER A 19 -5.020 22.241 -9.780 1.00 12.43 H new ATOM 0 HB2 SER A 19 -5.534 20.716 -7.937 1.00 33.43 H new ATOM 0 HB3 SER A 19 -3.850 20.543 -8.389 1.00 33.43 H new ATOM 0 HG SER A 19 -3.639 22.336 -6.600 1.00 45.42 H new ATOM 282 N GLU A 20 -5.153 24.370 -7.317 1.00 51.00 N ATOM 283 CA GLU A 20 -5.998 25.352 -6.647 1.00 24.21 C ATOM 284 C GLU A 20 -6.781 26.179 -7.662 1.00 73.31 C ATOM 285 O GLU A 20 -8.010 26.238 -7.613 1.00 5.10 O ATOM 286 CB GLU A 20 -5.148 26.273 -5.769 1.00 14.32 C ATOM 287 CG GLU A 20 -5.969 27.215 -4.903 1.00 64.12 C ATOM 288 CD GLU A 20 -5.256 27.598 -3.621 1.00 2.41 C ATOM 289 OE1 GLU A 20 -4.648 26.707 -2.991 1.00 52.04 O ATOM 290 OE2 GLU A 20 -5.306 28.789 -3.247 1.00 24.42 O ATOM 0 H GLU A 20 -4.161 24.442 -7.090 1.00 51.00 H new ATOM 0 HA GLU A 20 -6.708 24.815 -6.018 1.00 24.21 H new ATOM 0 HB2 GLU A 20 -4.512 25.664 -5.127 1.00 14.32 H new ATOM 0 HB3 GLU A 20 -4.488 26.861 -6.406 1.00 14.32 H new ATOM 0 HG2 GLU A 20 -6.199 28.117 -5.470 1.00 64.12 H new ATOM 0 HG3 GLU A 20 -6.920 26.742 -4.658 1.00 64.12 H new ATOM 297 N GLN A 21 -6.061 26.815 -8.580 1.00 52.12 N ATOM 298 CA GLN A 21 -6.689 27.640 -9.606 1.00 62.41 C ATOM 299 C GLN A 21 -7.123 26.791 -10.796 1.00 72.33 C ATOM 300 O GLN A 21 -8.251 26.907 -11.277 1.00 13.42 O ATOM 301 CB GLN A 21 -5.726 28.735 -10.070 1.00 34.53 C ATOM 302 CG GLN A 21 -6.401 29.841 -10.864 1.00 40.03 C ATOM 303 CD GLN A 21 -7.173 30.804 -9.984 1.00 51.13 C ATOM 304 OE1 GLN A 21 -8.358 31.053 -10.207 1.00 74.40 O ATOM 305 NE2 GLN A 21 -6.504 31.352 -8.977 1.00 1.41 N ATOM 0 H GLN A 21 -5.043 26.775 -8.635 1.00 52.12 H new ATOM 0 HA GLN A 21 -7.574 28.105 -9.172 1.00 62.41 H new ATOM 0 HB2 GLN A 21 -5.237 29.171 -9.199 1.00 34.53 H new ATOM 0 HB3 GLN A 21 -4.944 28.285 -10.682 1.00 34.53 H new ATOM 0 HG2 GLN A 21 -5.647 30.393 -11.425 1.00 40.03 H new ATOM 0 HG3 GLN A 21 -7.079 29.398 -11.593 1.00 40.03 H new ATOM 0 HE21 GLN A 21 -5.523 31.117 -8.829 1.00 1.41 H new ATOM 0 HE22 GLN A 21 -6.971 32.008 -8.351 1.00 1.41 H new ATOM 314 N LEU A 22 -6.221 25.937 -11.268 1.00 74.01 N ATOM 315 CA LEU A 22 -6.511 25.068 -12.403 1.00 71.33 C ATOM 316 C LEU A 22 -7.668 24.126 -12.086 1.00 70.53 C ATOM 317 O LEU A 22 -8.321 23.602 -12.989 1.00 41.35 O ATOM 318 CB LEU A 22 -5.269 24.259 -12.782 1.00 10.21 C ATOM 319 CG LEU A 22 -4.291 24.940 -13.740 1.00 10.42 C ATOM 320 CD1 LEU A 22 -3.960 26.344 -13.256 1.00 70.30 C ATOM 321 CD2 LEU A 22 -3.023 24.112 -13.886 1.00 31.31 C ATOM 0 H LEU A 22 -5.283 25.828 -10.882 1.00 74.01 H new ATOM 0 HA LEU A 22 -6.799 25.697 -13.246 1.00 71.33 H new ATOM 0 HB2 LEU A 22 -4.733 24.004 -11.868 1.00 10.21 H new ATOM 0 HB3 LEU A 22 -5.594 23.321 -13.233 1.00 10.21 H new ATOM 0 HG LEU A 22 -4.765 25.017 -14.718 1.00 10.42 H new ATOM 0 HD11 LEU A 22 -3.263 26.813 -13.950 1.00 70.30 H new ATOM 0 HD12 LEU A 22 -4.874 26.936 -13.204 1.00 70.30 H new ATOM 0 HD13 LEU A 22 -3.506 26.290 -12.267 1.00 70.30 H new ATOM 0 HD21 LEU A 22 -2.339 24.612 -14.571 1.00 31.31 H new ATOM 0 HD22 LEU A 22 -2.546 24.003 -12.912 1.00 31.31 H new ATOM 0 HD23 LEU A 22 -3.275 23.127 -14.279 1.00 31.31 H new ATOM 333 N ASP A 23 -7.917 23.916 -10.798 1.00 73.35 N ATOM 334 CA ASP A 23 -8.998 23.039 -10.362 1.00 1.22 C ATOM 335 C ASP A 23 -8.921 21.689 -11.068 1.00 33.05 C ATOM 336 O ASP A 23 -9.941 21.039 -11.301 1.00 3.15 O ATOM 337 CB ASP A 23 -10.354 23.693 -10.631 1.00 51.20 C ATOM 338 CG ASP A 23 -11.448 23.149 -9.733 1.00 62.55 C ATOM 339 OD1 ASP A 23 -11.306 23.252 -8.497 1.00 75.32 O ATOM 340 OD2 ASP A 23 -12.445 22.618 -10.267 1.00 42.34 O ATOM 0 H ASP A 23 -7.386 24.341 -10.038 1.00 73.35 H new ATOM 0 HA ASP A 23 -8.889 22.875 -9.290 1.00 1.22 H new ATOM 0 HB2 ASP A 23 -10.270 24.770 -10.485 1.00 51.20 H new ATOM 0 HB3 ASP A 23 -10.631 23.533 -11.673 1.00 51.20 H new ATOM 345 N LYS A 24 -7.706 21.273 -11.407 1.00 21.42 N ATOM 346 CA LYS A 24 -7.495 20.000 -12.086 1.00 65.10 C ATOM 347 C LYS A 24 -6.924 18.960 -11.127 1.00 62.23 C ATOM 348 O LYS A 24 -6.470 19.292 -10.032 1.00 43.43 O ATOM 349 CB LYS A 24 -6.550 20.184 -13.276 1.00 55.23 C ATOM 350 CG LYS A 24 -7.233 20.740 -14.514 1.00 15.11 C ATOM 351 CD LYS A 24 -8.273 19.775 -15.058 1.00 70.22 C ATOM 352 CE LYS A 24 -8.408 19.894 -16.569 1.00 2.25 C ATOM 353 NZ LYS A 24 -8.797 21.270 -16.984 1.00 0.34 N ATOM 0 H LYS A 24 -6.852 21.799 -11.223 1.00 21.42 H new ATOM 0 HA LYS A 24 -8.460 19.645 -12.447 1.00 65.10 H new ATOM 0 HB2 LYS A 24 -5.740 20.854 -12.986 1.00 55.23 H new ATOM 0 HB3 LYS A 24 -6.097 19.224 -13.522 1.00 55.23 H new ATOM 0 HG2 LYS A 24 -7.709 21.691 -14.272 1.00 15.11 H new ATOM 0 HG3 LYS A 24 -6.487 20.943 -15.282 1.00 15.11 H new ATOM 0 HD2 LYS A 24 -7.996 18.754 -14.796 1.00 70.22 H new ATOM 0 HD3 LYS A 24 -9.236 19.974 -14.589 1.00 70.22 H new ATOM 0 HE2 LYS A 24 -7.462 19.626 -17.040 1.00 2.25 H new ATOM 0 HE3 LYS A 24 -9.154 19.183 -16.924 1.00 2.25 H new ATOM 0 HZ1 LYS A 24 -9.607 21.220 -17.635 1.00 0.34 H new ATOM 0 HZ2 LYS A 24 -9.061 21.824 -16.144 1.00 0.34 H new ATOM 0 HZ3 LYS A 24 -7.995 21.728 -17.463 1.00 0.34 H new ATOM 367 N LYS A 25 -6.949 17.699 -11.546 1.00 44.13 N ATOM 368 CA LYS A 25 -6.431 16.610 -10.727 1.00 33.32 C ATOM 369 C LYS A 25 -5.059 16.162 -11.220 1.00 1.22 C ATOM 370 O LYS A 25 -4.708 16.372 -12.380 1.00 74.25 O ATOM 371 CB LYS A 25 -7.402 15.426 -10.743 1.00 43.43 C ATOM 372 CG LYS A 25 -8.370 15.418 -9.573 1.00 73.34 C ATOM 373 CD LYS A 25 -9.325 16.598 -9.631 1.00 51.21 C ATOM 374 CE LYS A 25 -10.329 16.449 -10.764 1.00 64.43 C ATOM 375 NZ LYS A 25 -11.121 15.194 -10.641 1.00 54.00 N ATOM 0 H LYS A 25 -7.323 17.406 -12.449 1.00 44.13 H new ATOM 0 HA LYS A 25 -6.328 16.975 -9.705 1.00 33.32 H new ATOM 0 HB2 LYS A 25 -7.970 15.445 -11.673 1.00 43.43 H new ATOM 0 HB3 LYS A 25 -6.830 14.498 -10.737 1.00 43.43 H new ATOM 0 HG2 LYS A 25 -8.939 14.488 -9.577 1.00 73.34 H new ATOM 0 HG3 LYS A 25 -7.811 15.447 -8.637 1.00 73.34 H new ATOM 0 HD2 LYS A 25 -9.855 16.685 -8.683 1.00 51.21 H new ATOM 0 HD3 LYS A 25 -8.758 17.519 -9.765 1.00 51.21 H new ATOM 0 HE2 LYS A 25 -11.003 17.305 -10.767 1.00 64.43 H new ATOM 0 HE3 LYS A 25 -9.803 16.455 -11.719 1.00 64.43 H new ATOM 0 HZ1 LYS A 25 -12.002 15.285 -11.186 1.00 54.00 H new ATOM 0 HZ2 LYS A 25 -10.566 14.396 -11.010 1.00 54.00 H new ATOM 0 HZ3 LYS A 25 -11.349 15.024 -9.641 1.00 54.00 H new ATOM 389 N GLU A 26 -4.288 15.544 -10.330 1.00 51.14 N ATOM 390 CA GLU A 26 -2.955 15.067 -10.677 1.00 65.11 C ATOM 391 C GLU A 26 -3.029 13.950 -11.714 1.00 61.02 C ATOM 392 O GLU A 26 -2.032 13.616 -12.355 1.00 31.33 O ATOM 393 CB GLU A 26 -2.226 14.569 -9.427 1.00 42.30 C ATOM 394 CG GLU A 26 -2.965 13.465 -8.690 1.00 53.23 C ATOM 395 CD GLU A 26 -2.754 12.101 -9.319 1.00 10.52 C ATOM 396 OE1 GLU A 26 -1.584 11.719 -9.529 1.00 51.42 O ATOM 397 OE2 GLU A 26 -3.760 11.416 -9.600 1.00 3.31 O ATOM 0 H GLU A 26 -4.564 15.362 -9.365 1.00 51.14 H new ATOM 0 HA GLU A 26 -2.399 15.901 -11.106 1.00 65.11 H new ATOM 0 HB2 GLU A 26 -1.239 14.206 -9.713 1.00 42.30 H new ATOM 0 HB3 GLU A 26 -2.072 15.408 -8.748 1.00 42.30 H new ATOM 0 HG2 GLU A 26 -2.630 13.438 -7.653 1.00 53.23 H new ATOM 0 HG3 GLU A 26 -4.031 13.693 -8.675 1.00 53.23 H new ATOM 404 N ASP A 27 -4.217 13.377 -11.873 1.00 63.22 N ATOM 405 CA ASP A 27 -4.423 12.298 -12.832 1.00 63.34 C ATOM 406 C ASP A 27 -4.628 12.852 -14.239 1.00 5.44 C ATOM 407 O ASP A 27 -4.954 12.112 -15.166 1.00 10.41 O ATOM 408 CB ASP A 27 -5.627 11.448 -12.425 1.00 74.14 C ATOM 409 CG ASP A 27 -5.629 10.088 -13.095 1.00 72.20 C ATOM 410 OD1 ASP A 27 -6.164 9.980 -14.219 1.00 32.15 O ATOM 411 OD2 ASP A 27 -5.095 9.131 -12.496 1.00 41.40 O ATOM 0 H ASP A 27 -5.052 13.642 -11.350 1.00 63.22 H new ATOM 0 HA ASP A 27 -3.530 11.672 -12.834 1.00 63.34 H new ATOM 0 HB2 ASP A 27 -5.626 11.317 -11.343 1.00 74.14 H new ATOM 0 HB3 ASP A 27 -6.545 11.977 -12.681 1.00 74.14 H new ATOM 416 N GLU A 28 -4.434 14.159 -14.388 1.00 14.21 N ATOM 417 CA GLU A 28 -4.600 14.812 -15.681 1.00 13.40 C ATOM 418 C GLU A 28 -3.419 14.510 -16.599 1.00 11.13 C ATOM 419 O GLU A 28 -3.482 14.744 -17.806 1.00 1.41 O ATOM 420 CB GLU A 28 -4.745 16.325 -15.499 1.00 25.34 C ATOM 421 CG GLU A 28 -6.187 16.791 -15.402 1.00 54.33 C ATOM 422 CD GLU A 28 -7.086 15.773 -14.729 1.00 33.50 C ATOM 423 OE1 GLU A 28 -6.765 15.355 -13.597 1.00 5.03 O ATOM 424 OE2 GLU A 28 -8.111 15.393 -15.334 1.00 25.33 O ATOM 0 H GLU A 28 -4.162 14.785 -13.630 1.00 14.21 H new ATOM 0 HA GLU A 28 -5.506 14.420 -16.143 1.00 13.40 H new ATOM 0 HB2 GLU A 28 -4.213 16.626 -14.597 1.00 25.34 H new ATOM 0 HB3 GLU A 28 -4.264 16.831 -16.336 1.00 25.34 H new ATOM 0 HG2 GLU A 28 -6.225 17.728 -14.846 1.00 54.33 H new ATOM 0 HG3 GLU A 28 -6.566 16.999 -16.403 1.00 54.33 H new ATOM 431 N ILE A 29 -2.344 13.989 -16.017 1.00 41.41 N ATOM 432 CA ILE A 29 -1.149 13.655 -16.782 1.00 30.31 C ATOM 433 C ILE A 29 -1.478 12.703 -17.927 1.00 22.43 C ATOM 434 O ILE A 29 -1.720 11.514 -17.711 1.00 54.55 O ATOM 435 CB ILE A 29 -0.071 13.013 -15.889 1.00 64.01 C ATOM 436 CG1 ILE A 29 0.314 13.963 -14.753 1.00 52.32 C ATOM 437 CG2 ILE A 29 1.152 12.646 -16.716 1.00 62.34 C ATOM 438 CD1 ILE A 29 0.805 15.311 -15.233 1.00 65.10 C ATOM 0 H ILE A 29 -2.276 13.789 -15.019 1.00 41.41 H new ATOM 0 HA ILE A 29 -0.763 14.589 -17.189 1.00 30.31 H new ATOM 0 HB ILE A 29 -0.478 12.101 -15.453 1.00 64.01 H new ATOM 0 HG12 ILE A 29 -0.550 14.110 -14.104 1.00 52.32 H new ATOM 0 HG13 ILE A 29 1.091 13.497 -14.148 1.00 52.32 H new ATOM 0 HG21 ILE A 29 1.905 12.193 -16.071 1.00 62.34 H new ATOM 0 HG22 ILE A 29 0.866 11.937 -17.493 1.00 62.34 H new ATOM 0 HG23 ILE A 29 1.562 13.544 -17.177 1.00 62.34 H new ATOM 0 HD11 ILE A 29 1.060 15.932 -14.374 1.00 65.10 H new ATOM 0 HD12 ILE A 29 1.688 15.175 -15.858 1.00 65.10 H new ATOM 0 HD13 ILE A 29 0.021 15.798 -15.813 1.00 65.10 H new ATOM 450 N THR A 30 -1.483 13.232 -19.146 1.00 63.54 N ATOM 451 CA THR A 30 -1.781 12.429 -20.326 1.00 43.42 C ATOM 452 C THR A 30 -1.427 13.180 -21.605 1.00 23.20 C ATOM 453 O THR A 30 -1.256 14.399 -21.595 1.00 51.52 O ATOM 454 CB THR A 30 -3.268 12.031 -20.373 1.00 62.34 C ATOM 455 OG1 THR A 30 -3.529 11.252 -21.546 1.00 52.14 O ATOM 456 CG2 THR A 30 -4.159 13.263 -20.368 1.00 11.52 C ATOM 0 H THR A 30 -1.284 14.213 -19.342 1.00 63.54 H new ATOM 0 HA THR A 30 -1.173 11.527 -20.257 1.00 43.42 H new ATOM 0 HB THR A 30 -3.491 11.438 -19.486 1.00 62.34 H new ATOM 0 HG1 THR A 30 -4.476 11.001 -21.568 1.00 52.14 H new ATOM 0 HG21 THR A 30 -5.204 12.956 -20.402 1.00 11.52 H new ATOM 0 HG22 THR A 30 -3.979 13.839 -19.460 1.00 11.52 H new ATOM 0 HG23 THR A 30 -3.933 13.879 -21.239 1.00 11.52 H new ATOM 464 N THR A 31 -1.318 12.444 -22.707 1.00 21.22 N ATOM 465 CA THR A 31 -0.984 13.040 -23.994 1.00 63.21 C ATOM 466 C THR A 31 -2.207 13.685 -24.636 1.00 20.43 C ATOM 467 O THR A 31 -2.096 14.379 -25.646 1.00 73.02 O ATOM 468 CB THR A 31 -0.401 11.994 -24.963 1.00 72.22 C ATOM 469 OG1 THR A 31 -1.381 10.989 -25.247 1.00 14.22 O ATOM 470 CG2 THR A 31 0.842 11.344 -24.375 1.00 3.31 C ATOM 0 H THR A 31 -1.456 11.434 -22.733 1.00 21.22 H new ATOM 0 HA THR A 31 -0.232 13.806 -23.802 1.00 63.21 H new ATOM 0 HB THR A 31 -0.124 12.502 -25.886 1.00 72.22 H new ATOM 0 HG1 THR A 31 -1.003 10.329 -25.865 1.00 14.22 H new ATOM 0 HG21 THR A 31 1.235 10.609 -25.078 1.00 3.31 H new ATOM 0 HG22 THR A 31 1.597 12.107 -24.187 1.00 3.31 H new ATOM 0 HG23 THR A 31 0.585 10.849 -23.438 1.00 3.31 H new ATOM 478 N ASP A 32 -3.372 13.451 -24.042 1.00 54.24 N ATOM 479 CA ASP A 32 -4.617 14.011 -24.556 1.00 13.25 C ATOM 480 C ASP A 32 -5.081 15.183 -23.696 1.00 1.10 C ATOM 481 O ASP A 32 -6.272 15.486 -23.632 1.00 73.11 O ATOM 482 CB ASP A 32 -5.704 12.936 -24.603 1.00 21.13 C ATOM 483 CG ASP A 32 -5.581 12.042 -25.821 1.00 32.22 C ATOM 484 OD1 ASP A 32 -5.465 12.580 -26.942 1.00 33.43 O ATOM 485 OD2 ASP A 32 -5.602 10.804 -25.653 1.00 41.24 O ATOM 0 H ASP A 32 -3.481 12.878 -23.205 1.00 54.24 H new ATOM 0 HA ASP A 32 -4.433 14.375 -25.567 1.00 13.25 H new ATOM 0 HB2 ASP A 32 -5.647 12.326 -23.701 1.00 21.13 H new ATOM 0 HB3 ASP A 32 -6.684 13.414 -24.604 1.00 21.13 H new ATOM 490 N SER A 33 -4.131 15.838 -23.036 1.00 14.24 N ATOM 491 CA SER A 33 -4.443 16.974 -22.176 1.00 21.03 C ATOM 492 C SER A 33 -3.645 18.206 -22.592 1.00 60.24 C ATOM 493 O SER A 33 -4.208 19.277 -22.817 1.00 55.01 O ATOM 494 CB SER A 33 -4.147 16.631 -20.715 1.00 23.35 C ATOM 495 OG SER A 33 -2.781 16.299 -20.535 1.00 44.33 O ATOM 0 H SER A 33 -3.140 15.602 -23.080 1.00 14.24 H new ATOM 0 HA SER A 33 -5.505 17.197 -22.282 1.00 21.03 H new ATOM 0 HB2 SER A 33 -4.405 17.478 -20.080 1.00 23.35 H new ATOM 0 HB3 SER A 33 -4.772 15.795 -20.401 1.00 23.35 H new ATOM 0 HG SER A 33 -2.571 15.489 -21.045 1.00 44.33 H new ATOM 501 N ARG A 34 -2.330 18.045 -22.693 1.00 64.32 N ATOM 502 CA ARG A 34 -1.453 19.143 -23.081 1.00 40.04 C ATOM 503 C ARG A 34 -1.566 20.303 -22.096 1.00 63.14 C ATOM 504 O ARG A 34 -2.295 20.223 -21.108 1.00 33.12 O ATOM 505 CB ARG A 34 -1.796 19.623 -24.493 1.00 12.33 C ATOM 506 CG ARG A 34 -1.586 18.566 -25.564 1.00 23.20 C ATOM 507 CD ARG A 34 -1.690 19.159 -26.960 1.00 72.24 C ATOM 508 NE ARG A 34 -0.389 19.577 -27.476 1.00 75.33 N ATOM 509 CZ ARG A 34 -0.199 20.029 -28.711 1.00 33.02 C ATOM 510 NH1 ARG A 34 -1.221 20.122 -29.551 1.00 63.31 N ATOM 511 NH2 ARG A 34 1.015 20.390 -29.107 1.00 15.23 N ATOM 0 H ARG A 34 -1.848 17.164 -22.511 1.00 64.32 H new ATOM 0 HA ARG A 34 -0.426 18.777 -23.068 1.00 40.04 H new ATOM 0 HB2 ARG A 34 -2.836 19.948 -24.514 1.00 12.33 H new ATOM 0 HB3 ARG A 34 -1.185 20.494 -24.730 1.00 12.33 H new ATOM 0 HG2 ARG A 34 -0.606 18.106 -25.435 1.00 23.20 H new ATOM 0 HG3 ARG A 34 -2.328 17.776 -25.447 1.00 23.20 H new ATOM 0 HD2 ARG A 34 -2.128 18.423 -27.635 1.00 72.24 H new ATOM 0 HD3 ARG A 34 -2.364 20.015 -26.941 1.00 72.24 H new ATOM 0 HE ARG A 34 0.418 19.519 -26.854 1.00 75.33 H new ATOM 0 HH11 ARG A 34 -2.156 19.846 -29.250 1.00 63.31 H new ATOM 0 HH12 ARG A 34 -1.072 20.469 -30.498 1.00 63.31 H new ATOM 0 HH21 ARG A 34 1.803 20.321 -28.463 1.00 15.23 H new ATOM 0 HH22 ARG A 34 1.160 20.737 -30.055 1.00 15.23 H new ATOM 525 N PHE A 35 -0.838 21.380 -22.373 1.00 13.11 N ATOM 526 CA PHE A 35 -0.855 22.556 -21.511 1.00 12.03 C ATOM 527 C PHE A 35 -2.226 23.225 -21.531 1.00 14.35 C ATOM 528 O PHE A 35 -2.643 23.842 -20.550 1.00 42.51 O ATOM 529 CB PHE A 35 0.218 23.553 -21.952 1.00 0.43 C ATOM 530 CG PHE A 35 1.612 22.996 -21.901 1.00 33.31 C ATOM 531 CD1 PHE A 35 2.082 22.374 -20.755 1.00 41.33 C ATOM 532 CD2 PHE A 35 2.451 23.092 -22.999 1.00 2.41 C ATOM 533 CE1 PHE A 35 3.364 21.861 -20.706 1.00 4.11 C ATOM 534 CE2 PHE A 35 3.734 22.581 -22.956 1.00 25.45 C ATOM 535 CZ PHE A 35 4.191 21.963 -21.808 1.00 2.24 C ATOM 0 H PHE A 35 -0.229 21.463 -23.187 1.00 13.11 H new ATOM 0 HA PHE A 35 -0.643 22.232 -20.492 1.00 12.03 H new ATOM 0 HB2 PHE A 35 0.003 23.879 -22.969 1.00 0.43 H new ATOM 0 HB3 PHE A 35 0.165 24.437 -21.316 1.00 0.43 H new ATOM 0 HD1 PHE A 35 1.439 22.289 -19.891 1.00 41.33 H new ATOM 0 HD2 PHE A 35 2.098 23.572 -23.900 1.00 2.41 H new ATOM 0 HE1 PHE A 35 3.719 21.380 -19.807 1.00 4.11 H new ATOM 0 HE2 PHE A 35 4.379 22.665 -23.818 1.00 25.45 H new ATOM 0 HZ PHE A 35 5.193 21.561 -21.772 1.00 2.24 H new ATOM 545 N VAL A 36 -2.924 23.099 -22.655 1.00 62.31 N ATOM 546 CA VAL A 36 -4.248 23.690 -22.804 1.00 11.10 C ATOM 547 C VAL A 36 -5.214 23.145 -21.758 1.00 73.23 C ATOM 548 O VAL A 36 -5.880 23.906 -21.058 1.00 2.44 O ATOM 549 CB VAL A 36 -4.826 23.427 -24.207 1.00 43.14 C ATOM 550 CG1 VAL A 36 -4.173 24.341 -25.233 1.00 72.15 C ATOM 551 CG2 VAL A 36 -4.646 21.966 -24.592 1.00 12.23 C ATOM 0 H VAL A 36 -2.594 22.592 -23.476 1.00 62.31 H new ATOM 0 HA VAL A 36 -4.132 24.765 -22.663 1.00 11.10 H new ATOM 0 HB VAL A 36 -5.894 23.645 -24.188 1.00 43.14 H new ATOM 0 HG11 VAL A 36 -4.594 24.141 -26.218 1.00 72.15 H new ATOM 0 HG12 VAL A 36 -4.358 25.381 -24.964 1.00 72.15 H new ATOM 0 HG13 VAL A 36 -3.099 24.157 -25.253 1.00 72.15 H new ATOM 0 HG21 VAL A 36 -5.060 21.798 -25.586 1.00 12.23 H new ATOM 0 HG22 VAL A 36 -3.584 21.719 -24.594 1.00 12.23 H new ATOM 0 HG23 VAL A 36 -5.164 21.333 -23.871 1.00 12.23 H new ATOM 561 N GLU A 37 -5.285 21.821 -21.659 1.00 41.00 N ATOM 562 CA GLU A 37 -6.171 21.174 -20.698 1.00 64.13 C ATOM 563 C GLU A 37 -5.503 21.066 -19.330 1.00 55.21 C ATOM 564 O GLU A 37 -6.027 21.560 -18.332 1.00 14.35 O ATOM 565 CB GLU A 37 -6.569 19.782 -21.195 1.00 5.32 C ATOM 566 CG GLU A 37 -7.081 19.770 -22.625 1.00 71.01 C ATOM 567 CD GLU A 37 -7.533 18.393 -23.071 1.00 65.21 C ATOM 568 OE1 GLU A 37 -8.320 17.760 -22.336 1.00 42.32 O ATOM 569 OE2 GLU A 37 -7.099 17.947 -24.154 1.00 2.40 O ATOM 0 H GLU A 37 -4.740 21.176 -22.232 1.00 41.00 H new ATOM 0 HA GLU A 37 -7.067 21.786 -20.598 1.00 64.13 H new ATOM 0 HB2 GLU A 37 -5.707 19.119 -21.121 1.00 5.32 H new ATOM 0 HB3 GLU A 37 -7.340 19.378 -20.539 1.00 5.32 H new ATOM 0 HG2 GLU A 37 -7.913 20.468 -22.715 1.00 71.01 H new ATOM 0 HG3 GLU A 37 -6.295 20.124 -23.292 1.00 71.01 H new ATOM 576 N ASP A 38 -4.345 20.417 -19.293 1.00 33.32 N ATOM 577 CA ASP A 38 -3.605 20.244 -18.048 1.00 73.21 C ATOM 578 C ASP A 38 -3.317 21.592 -17.396 1.00 2.33 C ATOM 579 O ASP A 38 -3.751 21.857 -16.274 1.00 20.33 O ATOM 580 CB ASP A 38 -2.295 19.498 -18.308 1.00 53.41 C ATOM 581 CG ASP A 38 -1.678 18.952 -17.036 1.00 4.42 C ATOM 582 OD1 ASP A 38 -2.172 17.923 -16.531 1.00 70.11 O ATOM 583 OD2 ASP A 38 -0.700 19.555 -16.544 1.00 52.12 O ATOM 0 H ASP A 38 -3.898 20.002 -20.110 1.00 33.32 H new ATOM 0 HA ASP A 38 -4.220 19.655 -17.367 1.00 73.21 H new ATOM 0 HB2 ASP A 38 -2.479 18.677 -19.001 1.00 53.41 H new ATOM 0 HB3 ASP A 38 -1.587 20.171 -18.792 1.00 53.41 H new ATOM 588 N LEU A 39 -2.581 22.441 -18.105 1.00 12.34 N ATOM 589 CA LEU A 39 -2.233 23.763 -17.594 1.00 72.03 C ATOM 590 C LEU A 39 -3.303 24.787 -17.960 1.00 33.33 C ATOM 591 O LEU A 39 -4.275 24.466 -18.643 1.00 11.54 O ATOM 592 CB LEU A 39 -0.878 24.205 -18.149 1.00 21.11 C ATOM 593 CG LEU A 39 0.353 23.674 -17.414 1.00 5.33 C ATOM 594 CD1 LEU A 39 1.628 24.157 -18.089 1.00 74.23 C ATOM 595 CD2 LEU A 39 0.328 24.101 -15.953 1.00 75.22 C ATOM 0 H LEU A 39 -2.214 22.238 -19.035 1.00 12.34 H new ATOM 0 HA LEU A 39 -2.172 23.701 -16.508 1.00 72.03 H new ATOM 0 HB2 LEU A 39 -0.816 23.894 -19.192 1.00 21.11 H new ATOM 0 HB3 LEU A 39 -0.841 25.294 -18.138 1.00 21.11 H new ATOM 0 HG LEU A 39 0.334 22.585 -17.455 1.00 5.33 H new ATOM 0 HD11 LEU A 39 2.493 23.769 -17.552 1.00 74.23 H new ATOM 0 HD12 LEU A 39 1.651 23.802 -19.119 1.00 74.23 H new ATOM 0 HD13 LEU A 39 1.654 25.247 -18.080 1.00 74.23 H new ATOM 0 HD21 LEU A 39 1.212 23.714 -15.446 1.00 75.22 H new ATOM 0 HD22 LEU A 39 0.322 25.189 -15.892 1.00 75.22 H new ATOM 0 HD23 LEU A 39 -0.568 23.706 -15.474 1.00 75.22 H new ATOM 607 N ASN A 40 -3.116 26.020 -17.501 1.00 42.25 N ATOM 608 CA ASN A 40 -4.064 27.092 -17.782 1.00 34.04 C ATOM 609 C ASN A 40 -3.453 28.128 -18.720 1.00 1.12 C ATOM 610 O ASN A 40 -3.735 29.321 -18.612 1.00 10.11 O ATOM 611 CB ASN A 40 -4.506 27.764 -16.480 1.00 23.23 C ATOM 612 CG ASN A 40 -5.670 28.713 -16.685 1.00 13.20 C ATOM 613 OD1 ASN A 40 -6.478 28.534 -17.597 1.00 11.43 O ATOM 614 ND2 ASN A 40 -5.761 29.730 -15.836 1.00 35.25 N ATOM 0 H ASN A 40 -2.317 26.302 -16.933 1.00 42.25 H new ATOM 0 HA ASN A 40 -4.934 26.654 -18.271 1.00 34.04 H new ATOM 0 HB2 ASN A 40 -4.788 26.999 -15.757 1.00 23.23 H new ATOM 0 HB3 ASN A 40 -3.665 28.311 -16.053 1.00 23.23 H new ATOM 0 HD21 ASN A 40 -6.523 30.402 -15.925 1.00 35.25 H new ATOM 0 HD22 ASN A 40 -5.069 29.839 -15.095 1.00 35.25 H new ATOM 621 N ALA A 41 -2.615 27.663 -19.640 1.00 43.13 N ATOM 622 CA ALA A 41 -1.965 28.548 -20.599 1.00 55.42 C ATOM 623 C ALA A 41 -1.626 27.807 -21.888 1.00 3.41 C ATOM 624 O ALA A 41 -1.610 26.577 -21.922 1.00 31.21 O ATOM 625 CB ALA A 41 -0.710 29.156 -19.991 1.00 31.23 C ATOM 0 H ALA A 41 -2.370 26.678 -19.742 1.00 43.13 H new ATOM 0 HA ALA A 41 -2.661 29.350 -20.845 1.00 55.42 H new ATOM 0 HB1 ALA A 41 -0.235 29.814 -20.719 1.00 31.23 H new ATOM 0 HB2 ALA A 41 -0.977 29.729 -19.103 1.00 31.23 H new ATOM 0 HB3 ALA A 41 -0.017 28.361 -19.715 1.00 31.23 H new ATOM 631 N ASP A 42 -1.355 28.564 -22.946 1.00 31.31 N ATOM 632 CA ASP A 42 -1.015 27.978 -24.238 1.00 12.25 C ATOM 633 C ASP A 42 0.492 27.778 -24.364 1.00 32.03 C ATOM 634 O ASP A 42 1.274 28.421 -23.664 1.00 42.10 O ATOM 635 CB ASP A 42 -1.521 28.868 -25.374 1.00 2.41 C ATOM 636 CG ASP A 42 -3.027 29.037 -25.351 1.00 13.35 C ATOM 637 OD1 ASP A 42 -3.741 28.030 -25.542 1.00 44.13 O ATOM 638 OD2 ASP A 42 -3.493 30.176 -25.140 1.00 1.44 O ATOM 0 H ASP A 42 -1.364 29.584 -22.935 1.00 31.31 H new ATOM 0 HA ASP A 42 -1.499 27.004 -24.307 1.00 12.25 H new ATOM 0 HB2 ASP A 42 -1.047 29.847 -25.303 1.00 2.41 H new ATOM 0 HB3 ASP A 42 -1.221 28.438 -26.330 1.00 2.41 H new ATOM 643 N SER A 43 0.892 26.881 -25.260 1.00 14.24 N ATOM 644 CA SER A 43 2.305 26.592 -25.474 1.00 53.40 C ATOM 645 C SER A 43 3.095 27.879 -25.691 1.00 4.13 C ATOM 646 O SER A 43 4.291 27.943 -25.402 1.00 62.02 O ATOM 647 CB SER A 43 2.480 25.664 -26.677 1.00 64.31 C ATOM 648 OG SER A 43 1.740 26.128 -27.792 1.00 41.44 O ATOM 0 H SER A 43 0.257 26.342 -25.849 1.00 14.24 H new ATOM 0 HA SER A 43 2.689 26.096 -24.583 1.00 53.40 H new ATOM 0 HB2 SER A 43 3.536 25.599 -26.939 1.00 64.31 H new ATOM 0 HB3 SER A 43 2.154 24.658 -26.414 1.00 64.31 H new ATOM 0 HG SER A 43 1.870 25.518 -28.548 1.00 41.44 H new ATOM 654 N LEU A 44 2.419 28.902 -26.201 1.00 3.41 N ATOM 655 CA LEU A 44 3.057 30.189 -26.457 1.00 40.21 C ATOM 656 C LEU A 44 3.791 30.690 -25.217 1.00 73.21 C ATOM 657 O LEU A 44 4.956 31.082 -25.289 1.00 34.32 O ATOM 658 CB LEU A 44 2.015 31.219 -26.897 1.00 74.43 C ATOM 659 CG LEU A 44 1.140 30.822 -28.087 1.00 31.40 C ATOM 660 CD1 LEU A 44 0.198 31.956 -28.459 1.00 43.23 C ATOM 661 CD2 LEU A 44 2.004 30.431 -29.277 1.00 72.42 C ATOM 0 H LEU A 44 1.429 28.866 -26.446 1.00 3.41 H new ATOM 0 HA LEU A 44 3.785 30.052 -27.257 1.00 40.21 H new ATOM 0 HB2 LEU A 44 1.365 31.433 -26.049 1.00 74.43 H new ATOM 0 HB3 LEU A 44 2.532 32.146 -27.145 1.00 74.43 H new ATOM 0 HG LEU A 44 0.540 29.959 -27.800 1.00 31.40 H new ATOM 0 HD11 LEU A 44 -0.416 31.655 -29.308 1.00 43.23 H new ATOM 0 HD12 LEU A 44 -0.445 32.188 -27.610 1.00 43.23 H new ATOM 0 HD13 LEU A 44 0.779 32.839 -28.727 1.00 43.23 H new ATOM 0 HD21 LEU A 44 1.365 30.151 -30.114 1.00 72.42 H new ATOM 0 HD22 LEU A 44 2.631 31.275 -29.565 1.00 72.42 H new ATOM 0 HD23 LEU A 44 2.636 29.586 -29.005 1.00 72.42 H new ATOM 673 N ASP A 45 3.102 30.672 -24.081 1.00 62.13 N ATOM 674 CA ASP A 45 3.689 31.121 -22.824 1.00 63.11 C ATOM 675 C ASP A 45 4.571 30.034 -22.217 1.00 72.22 C ATOM 676 O ASP A 45 5.513 30.325 -21.480 1.00 1.11 O ATOM 677 CB ASP A 45 2.591 31.515 -21.836 1.00 13.04 C ATOM 678 CG ASP A 45 3.087 31.555 -20.404 1.00 5.32 C ATOM 679 OD1 ASP A 45 3.619 32.607 -19.990 1.00 71.31 O ATOM 680 OD2 ASP A 45 2.946 30.535 -19.697 1.00 54.22 O ATOM 0 H ASP A 45 2.137 30.351 -24.005 1.00 62.13 H new ATOM 0 HA ASP A 45 4.309 31.993 -23.032 1.00 63.11 H new ATOM 0 HB2 ASP A 45 2.196 32.494 -22.108 1.00 13.04 H new ATOM 0 HB3 ASP A 45 1.767 30.806 -21.912 1.00 13.04 H new ATOM 685 N ILE A 46 4.258 28.781 -22.531 1.00 55.33 N ATOM 686 CA ILE A 46 5.021 27.651 -22.017 1.00 2.42 C ATOM 687 C ILE A 46 6.408 27.592 -22.649 1.00 33.42 C ATOM 688 O ILE A 46 7.349 27.062 -22.057 1.00 73.24 O ATOM 689 CB ILE A 46 4.295 26.318 -22.272 1.00 72.35 C ATOM 690 CG1 ILE A 46 2.883 26.360 -21.684 1.00 51.03 C ATOM 691 CG2 ILE A 46 5.087 25.161 -21.681 1.00 14.34 C ATOM 692 CD1 ILE A 46 2.859 26.516 -20.180 1.00 4.51 C ATOM 0 H ILE A 46 3.481 28.523 -23.139 1.00 55.33 H new ATOM 0 HA ILE A 46 5.120 27.800 -20.942 1.00 2.42 H new ATOM 0 HB ILE A 46 4.215 26.165 -23.348 1.00 72.35 H new ATOM 0 HG12 ILE A 46 2.335 27.187 -22.136 1.00 51.03 H new ATOM 0 HG13 ILE A 46 2.358 25.444 -21.955 1.00 51.03 H new ATOM 0 HG21 ILE A 46 4.560 24.226 -21.870 1.00 14.34 H new ATOM 0 HG22 ILE A 46 6.073 25.122 -22.143 1.00 14.34 H new ATOM 0 HG23 ILE A 46 5.195 25.306 -20.606 1.00 14.34 H new ATOM 0 HD11 ILE A 46 1.826 26.538 -19.833 1.00 4.51 H new ATOM 0 HD12 ILE A 46 3.379 25.676 -19.719 1.00 4.51 H new ATOM 0 HD13 ILE A 46 3.355 27.446 -19.903 1.00 4.51 H new ATOM 704 N TYR A 47 6.527 28.140 -23.853 1.00 31.51 N ATOM 705 CA TYR A 47 7.799 28.148 -24.566 1.00 55.22 C ATOM 706 C TYR A 47 8.921 28.668 -23.673 1.00 13.01 C ATOM 707 O TYR A 47 9.947 28.011 -23.503 1.00 45.51 O ATOM 708 CB TYR A 47 7.695 29.009 -25.826 1.00 55.04 C ATOM 709 CG TYR A 47 8.968 29.048 -26.640 1.00 62.52 C ATOM 710 CD1 TYR A 47 9.984 29.944 -26.335 1.00 4.41 C ATOM 711 CD2 TYR A 47 9.156 28.186 -27.714 1.00 72.11 C ATOM 712 CE1 TYR A 47 11.149 29.983 -27.076 1.00 43.53 C ATOM 713 CE2 TYR A 47 10.318 28.217 -28.460 1.00 61.12 C ATOM 714 CZ TYR A 47 11.312 29.118 -28.138 1.00 34.33 C ATOM 715 OH TYR A 47 12.471 29.152 -28.878 1.00 1.52 O ATOM 0 H TYR A 47 5.759 28.584 -24.356 1.00 31.51 H new ATOM 0 HA TYR A 47 8.033 27.123 -24.852 1.00 55.22 H new ATOM 0 HB2 TYR A 47 6.886 28.629 -26.450 1.00 55.04 H new ATOM 0 HB3 TYR A 47 7.425 30.026 -25.540 1.00 55.04 H new ATOM 0 HD1 TYR A 47 9.861 30.622 -25.504 1.00 4.41 H new ATOM 0 HD2 TYR A 47 8.380 27.480 -27.970 1.00 72.11 H new ATOM 0 HE1 TYR A 47 11.928 30.687 -26.825 1.00 43.53 H new ATOM 0 HE2 TYR A 47 10.448 27.540 -29.291 1.00 61.12 H new ATOM 0 HH TYR A 47 12.426 28.478 -29.588 1.00 1.52 H new ATOM 725 N GLU A 48 8.715 29.852 -23.104 1.00 63.11 N ATOM 726 CA GLU A 48 9.709 30.461 -22.228 1.00 64.50 C ATOM 727 C GLU A 48 9.886 29.641 -20.953 1.00 33.10 C ATOM 728 O GLU A 48 10.995 29.509 -20.434 1.00 41.32 O ATOM 729 CB GLU A 48 9.302 31.892 -21.875 1.00 11.43 C ATOM 730 CG GLU A 48 9.373 32.853 -23.050 1.00 3.13 C ATOM 731 CD GLU A 48 8.767 34.207 -22.734 1.00 74.44 C ATOM 732 OE1 GLU A 48 7.527 34.285 -22.606 1.00 32.34 O ATOM 733 OE2 GLU A 48 9.531 35.187 -22.617 1.00 13.03 O ATOM 0 H GLU A 48 7.870 30.408 -23.234 1.00 63.11 H new ATOM 0 HA GLU A 48 10.660 30.483 -22.760 1.00 64.50 H new ATOM 0 HB2 GLU A 48 8.285 31.885 -21.483 1.00 11.43 H new ATOM 0 HB3 GLU A 48 9.948 32.258 -21.077 1.00 11.43 H new ATOM 0 HG2 GLU A 48 10.414 32.985 -23.344 1.00 3.13 H new ATOM 0 HG3 GLU A 48 8.853 32.417 -23.903 1.00 3.13 H new ATOM 740 N LEU A 49 8.784 29.092 -20.453 1.00 2.34 N ATOM 741 CA LEU A 49 8.815 28.285 -19.238 1.00 3.44 C ATOM 742 C LEU A 49 9.846 27.167 -19.353 1.00 72.31 C ATOM 743 O LEU A 49 10.787 27.091 -18.562 1.00 60.11 O ATOM 744 CB LEU A 49 7.432 27.694 -18.959 1.00 64.43 C ATOM 745 CG LEU A 49 7.172 27.245 -17.521 1.00 74.51 C ATOM 746 CD1 LEU A 49 7.071 28.448 -16.596 1.00 73.53 C ATOM 747 CD2 LEU A 49 5.905 26.404 -17.446 1.00 42.22 C ATOM 0 H LEU A 49 7.858 29.191 -20.870 1.00 2.34 H new ATOM 0 HA LEU A 49 9.100 28.932 -18.408 1.00 3.44 H new ATOM 0 HB2 LEU A 49 6.681 28.436 -19.228 1.00 64.43 H new ATOM 0 HB3 LEU A 49 7.285 26.838 -19.618 1.00 64.43 H new ATOM 0 HG LEU A 49 8.012 26.631 -17.195 1.00 74.51 H new ATOM 0 HD11 LEU A 49 6.886 28.109 -15.577 1.00 73.53 H new ATOM 0 HD12 LEU A 49 8.004 29.010 -16.627 1.00 73.53 H new ATOM 0 HD13 LEU A 49 6.251 29.088 -16.920 1.00 73.53 H new ATOM 0 HD21 LEU A 49 5.735 26.093 -16.415 1.00 42.22 H new ATOM 0 HD22 LEU A 49 5.056 26.994 -17.792 1.00 42.22 H new ATOM 0 HD23 LEU A 49 6.016 25.522 -18.077 1.00 42.22 H new ATOM 759 N LEU A 50 9.663 26.301 -20.344 1.00 41.32 N ATOM 760 CA LEU A 50 10.578 25.187 -20.565 1.00 45.15 C ATOM 761 C LEU A 50 11.930 25.684 -21.069 1.00 11.25 C ATOM 762 O LEU A 50 12.977 25.164 -20.683 1.00 30.13 O ATOM 763 CB LEU A 50 9.979 24.201 -21.569 1.00 62.34 C ATOM 764 CG LEU A 50 9.378 24.813 -22.835 1.00 44.12 C ATOM 765 CD1 LEU A 50 10.191 24.415 -24.058 1.00 15.51 C ATOM 766 CD2 LEU A 50 7.926 24.388 -22.996 1.00 21.12 C ATOM 0 H LEU A 50 8.889 26.349 -21.007 1.00 41.32 H new ATOM 0 HA LEU A 50 10.730 24.680 -19.612 1.00 45.15 H new ATOM 0 HB2 LEU A 50 10.757 23.497 -21.864 1.00 62.34 H new ATOM 0 HB3 LEU A 50 9.203 23.626 -21.064 1.00 62.34 H new ATOM 0 HG LEU A 50 9.409 25.898 -22.741 1.00 44.12 H new ATOM 0 HD11 LEU A 50 9.749 24.860 -24.949 1.00 15.51 H new ATOM 0 HD12 LEU A 50 11.215 24.770 -23.945 1.00 15.51 H new ATOM 0 HD13 LEU A 50 10.192 23.329 -24.156 1.00 15.51 H new ATOM 0 HD21 LEU A 50 7.515 24.833 -23.902 1.00 21.12 H new ATOM 0 HD22 LEU A 50 7.871 23.302 -23.068 1.00 21.12 H new ATOM 0 HD23 LEU A 50 7.351 24.724 -22.133 1.00 21.12 H new ATOM 778 N TYR A 51 11.899 26.695 -21.930 1.00 2.13 N ATOM 779 CA TYR A 51 13.122 27.263 -22.486 1.00 33.22 C ATOM 780 C TYR A 51 14.086 27.671 -21.377 1.00 3.34 C ATOM 781 O TYR A 51 15.266 27.319 -21.402 1.00 63.15 O ATOM 782 CB TYR A 51 12.794 28.472 -23.363 1.00 42.22 C ATOM 783 CG TYR A 51 13.996 29.333 -23.681 1.00 61.44 C ATOM 784 CD1 TYR A 51 15.204 28.760 -24.059 1.00 64.24 C ATOM 785 CD2 TYR A 51 13.924 30.718 -23.603 1.00 70.24 C ATOM 786 CE1 TYR A 51 16.305 29.542 -24.350 1.00 64.25 C ATOM 787 CE2 TYR A 51 15.019 31.508 -23.894 1.00 64.41 C ATOM 788 CZ TYR A 51 16.208 30.915 -24.267 1.00 12.11 C ATOM 789 OH TYR A 51 17.302 31.698 -24.556 1.00 13.31 O ATOM 0 H TYR A 51 11.041 27.138 -22.258 1.00 2.13 H new ATOM 0 HA TYR A 51 13.603 26.499 -23.097 1.00 33.22 H new ATOM 0 HB2 TYR A 51 12.350 28.124 -24.296 1.00 42.22 H new ATOM 0 HB3 TYR A 51 12.043 29.082 -22.860 1.00 42.22 H new ATOM 0 HD1 TYR A 51 15.284 27.685 -24.126 1.00 64.24 H new ATOM 0 HD2 TYR A 51 12.996 31.185 -23.310 1.00 70.24 H new ATOM 0 HE1 TYR A 51 17.237 29.080 -24.641 1.00 64.25 H new ATOM 0 HE2 TYR A 51 14.945 32.584 -23.830 1.00 64.41 H new ATOM 0 HH TYR A 51 17.065 32.643 -24.450 1.00 13.31 H new ATOM 799 N LEU A 52 13.576 28.416 -20.403 1.00 13.54 N ATOM 800 CA LEU A 52 14.390 28.874 -19.282 1.00 21.20 C ATOM 801 C LEU A 52 14.672 27.731 -18.312 1.00 1.13 C ATOM 802 O LEU A 52 15.688 27.731 -17.614 1.00 74.35 O ATOM 803 CB LEU A 52 13.688 30.018 -18.549 1.00 41.54 C ATOM 804 CG LEU A 52 13.996 31.428 -19.056 1.00 1.15 C ATOM 805 CD1 LEU A 52 13.496 31.605 -20.481 1.00 33.23 C ATOM 806 CD2 LEU A 52 13.376 32.472 -18.138 1.00 23.45 C ATOM 0 H LEU A 52 12.602 28.716 -20.366 1.00 13.54 H new ATOM 0 HA LEU A 52 15.340 29.234 -19.678 1.00 21.20 H new ATOM 0 HB2 LEU A 52 12.612 29.858 -18.612 1.00 41.54 H new ATOM 0 HB3 LEU A 52 13.956 29.966 -17.494 1.00 41.54 H new ATOM 0 HG LEU A 52 15.077 31.566 -19.053 1.00 1.15 H new ATOM 0 HD11 LEU A 52 13.724 32.614 -20.824 1.00 33.23 H new ATOM 0 HD12 LEU A 52 13.987 30.881 -21.131 1.00 33.23 H new ATOM 0 HD13 LEU A 52 12.418 31.447 -20.511 1.00 33.23 H new ATOM 0 HD21 LEU A 52 13.605 33.469 -18.514 1.00 23.45 H new ATOM 0 HD22 LEU A 52 12.295 32.335 -18.109 1.00 23.45 H new ATOM 0 HD23 LEU A 52 13.783 32.361 -17.133 1.00 23.45 H new ATOM 818 N LEU A 53 13.769 26.758 -18.273 1.00 54.04 N ATOM 819 CA LEU A 53 13.921 25.607 -17.390 1.00 71.02 C ATOM 820 C LEU A 53 15.100 24.741 -17.823 1.00 33.14 C ATOM 821 O LEU A 53 15.940 24.368 -17.005 1.00 44.11 O ATOM 822 CB LEU A 53 12.638 24.774 -17.380 1.00 20.11 C ATOM 823 CG LEU A 53 11.790 24.863 -16.111 1.00 14.50 C ATOM 824 CD1 LEU A 53 11.510 26.316 -15.757 1.00 61.12 C ATOM 825 CD2 LEU A 53 10.488 24.095 -16.284 1.00 72.24 C ATOM 0 H LEU A 53 12.923 26.743 -18.843 1.00 54.04 H new ATOM 0 HA LEU A 53 14.115 25.976 -16.383 1.00 71.02 H new ATOM 0 HB2 LEU A 53 12.023 25.080 -18.226 1.00 20.11 H new ATOM 0 HB3 LEU A 53 12.905 23.730 -17.542 1.00 20.11 H new ATOM 0 HG LEU A 53 12.349 24.411 -15.292 1.00 14.50 H new ATOM 0 HD11 LEU A 53 10.905 26.360 -14.851 1.00 61.12 H new ATOM 0 HD12 LEU A 53 12.452 26.838 -15.590 1.00 61.12 H new ATOM 0 HD13 LEU A 53 10.972 26.793 -16.576 1.00 61.12 H new ATOM 0 HD21 LEU A 53 9.898 24.170 -15.371 1.00 72.24 H new ATOM 0 HD22 LEU A 53 9.924 24.517 -17.116 1.00 72.24 H new ATOM 0 HD23 LEU A 53 10.708 23.047 -16.489 1.00 72.24 H new ATOM 837 N GLU A 54 15.155 24.427 -19.113 1.00 72.12 N ATOM 838 CA GLU A 54 16.232 23.606 -19.654 1.00 31.14 C ATOM 839 C GLU A 54 17.580 24.303 -19.493 1.00 60.23 C ATOM 840 O GLU A 54 18.611 23.651 -19.330 1.00 50.22 O ATOM 841 CB GLU A 54 15.977 23.298 -21.131 1.00 11.43 C ATOM 842 CG GLU A 54 16.545 24.343 -22.077 1.00 23.23 C ATOM 843 CD GLU A 54 15.957 24.249 -23.471 1.00 34.10 C ATOM 844 OE1 GLU A 54 14.777 24.619 -23.644 1.00 11.53 O ATOM 845 OE2 GLU A 54 16.677 23.805 -24.390 1.00 32.44 O ATOM 0 H GLU A 54 14.467 24.728 -19.803 1.00 72.12 H new ATOM 0 HA GLU A 54 16.257 22.670 -19.095 1.00 31.14 H new ATOM 0 HB2 GLU A 54 16.412 22.328 -21.372 1.00 11.43 H new ATOM 0 HB3 GLU A 54 14.903 23.216 -21.296 1.00 11.43 H new ATOM 0 HG2 GLU A 54 16.353 25.337 -21.672 1.00 23.23 H new ATOM 0 HG3 GLU A 54 17.627 24.226 -22.135 1.00 23.23 H new ATOM 852 N GLU A 55 17.562 25.631 -19.542 1.00 4.24 N ATOM 853 CA GLU A 55 18.783 26.416 -19.403 1.00 44.22 C ATOM 854 C GLU A 55 19.381 26.252 -18.009 1.00 34.04 C ATOM 855 O GLU A 55 20.589 26.387 -17.819 1.00 40.45 O ATOM 856 CB GLU A 55 18.500 27.895 -19.678 1.00 35.55 C ATOM 857 CG GLU A 55 19.714 28.791 -19.501 1.00 31.53 C ATOM 858 CD GLU A 55 19.641 30.046 -20.348 1.00 61.34 C ATOM 859 OE1 GLU A 55 18.567 30.683 -20.372 1.00 5.41 O ATOM 860 OE2 GLU A 55 20.657 30.390 -20.988 1.00 13.21 O ATOM 0 H GLU A 55 16.717 26.185 -19.677 1.00 4.24 H new ATOM 0 HA GLU A 55 19.504 26.049 -20.134 1.00 44.22 H new ATOM 0 HB2 GLU A 55 18.126 28.001 -20.696 1.00 35.55 H new ATOM 0 HB3 GLU A 55 17.708 28.235 -19.011 1.00 35.55 H new ATOM 0 HG2 GLU A 55 19.805 29.070 -18.451 1.00 31.53 H new ATOM 0 HG3 GLU A 55 20.614 28.233 -19.761 1.00 31.53 H new ATOM 867 N ALA A 56 18.524 25.960 -17.035 1.00 62.22 N ATOM 868 CA ALA A 56 18.966 25.776 -15.659 1.00 22.35 C ATOM 869 C ALA A 56 19.586 24.397 -15.461 1.00 24.31 C ATOM 870 O ALA A 56 20.338 24.173 -14.512 1.00 3.31 O ATOM 871 CB ALA A 56 17.802 25.975 -14.699 1.00 42.42 C ATOM 0 H ALA A 56 17.520 25.846 -17.174 1.00 62.22 H new ATOM 0 HA ALA A 56 19.730 26.524 -15.447 1.00 22.35 H new ATOM 0 HB1 ALA A 56 18.147 25.834 -13.675 1.00 42.42 H new ATOM 0 HB2 ALA A 56 17.405 26.984 -14.813 1.00 42.42 H new ATOM 0 HB3 ALA A 56 17.019 25.250 -14.921 1.00 42.42 H new ATOM 877 N PHE A 57 19.266 23.474 -16.362 1.00 41.23 N ATOM 878 CA PHE A 57 19.791 22.116 -16.286 1.00 32.22 C ATOM 879 C PHE A 57 20.827 21.871 -17.379 1.00 22.34 C ATOM 880 O PHE A 57 21.328 20.757 -17.536 1.00 32.03 O ATOM 881 CB PHE A 57 18.654 21.099 -16.408 1.00 54.54 C ATOM 882 CG PHE A 57 17.416 21.490 -15.651 1.00 65.14 C ATOM 883 CD1 PHE A 57 17.508 22.019 -14.374 1.00 20.41 C ATOM 884 CD2 PHE A 57 16.162 21.329 -16.217 1.00 62.25 C ATOM 885 CE1 PHE A 57 16.371 22.378 -13.675 1.00 61.10 C ATOM 886 CE2 PHE A 57 15.022 21.687 -15.523 1.00 74.35 C ATOM 887 CZ PHE A 57 15.127 22.213 -14.251 1.00 35.11 C ATOM 0 H PHE A 57 18.645 23.642 -17.154 1.00 41.23 H new ATOM 0 HA PHE A 57 20.275 21.995 -15.317 1.00 32.22 H new ATOM 0 HB2 PHE A 57 18.402 20.973 -17.461 1.00 54.54 H new ATOM 0 HB3 PHE A 57 19.002 20.132 -16.045 1.00 54.54 H new ATOM 0 HD1 PHE A 57 18.479 22.152 -13.920 1.00 20.41 H new ATOM 0 HD2 PHE A 57 16.074 20.919 -17.212 1.00 62.25 H new ATOM 0 HE1 PHE A 57 16.455 22.787 -12.679 1.00 61.10 H new ATOM 0 HE2 PHE A 57 14.050 21.555 -15.975 1.00 74.35 H new ATOM 0 HZ PHE A 57 14.238 22.495 -13.707 1.00 35.11 H new ATOM 897 N ASP A 58 21.143 22.919 -18.131 1.00 63.42 N ATOM 898 CA ASP A 58 22.120 22.819 -19.209 1.00 61.35 C ATOM 899 C ASP A 58 21.796 21.645 -20.129 1.00 4.30 C ATOM 900 O ASP A 58 22.510 20.642 -20.146 1.00 33.12 O ATOM 901 CB ASP A 58 23.529 22.660 -18.637 1.00 4.23 C ATOM 902 CG ASP A 58 23.805 23.626 -17.501 1.00 34.34 C ATOM 903 OD1 ASP A 58 23.724 24.850 -17.731 1.00 1.33 O ATOM 904 OD2 ASP A 58 24.101 23.157 -16.382 1.00 23.34 O ATOM 0 H ASP A 58 20.737 23.847 -18.014 1.00 63.42 H new ATOM 0 HA ASP A 58 22.075 23.739 -19.793 1.00 61.35 H new ATOM 0 HB2 ASP A 58 23.660 21.638 -18.281 1.00 4.23 H new ATOM 0 HB3 ASP A 58 24.260 22.818 -19.430 1.00 4.23 H new ATOM 909 N ASP A 59 20.717 21.778 -20.891 1.00 55.01 N ATOM 910 CA ASP A 59 20.298 20.729 -21.813 1.00 71.14 C ATOM 911 C ASP A 59 19.278 21.261 -22.815 1.00 41.23 C ATOM 912 O ASP A 59 18.414 22.067 -22.469 1.00 74.24 O ATOM 913 CB ASP A 59 19.705 19.549 -21.042 1.00 23.32 C ATOM 914 CG ASP A 59 18.787 19.993 -19.920 1.00 61.32 C ATOM 915 OD1 ASP A 59 18.189 21.083 -20.039 1.00 32.40 O ATOM 916 OD2 ASP A 59 18.666 19.250 -18.924 1.00 22.11 O ATOM 0 H ASP A 59 20.116 22.602 -20.889 1.00 55.01 H new ATOM 0 HA ASP A 59 21.177 20.390 -22.361 1.00 71.14 H new ATOM 0 HB2 ASP A 59 19.151 18.911 -21.730 1.00 23.32 H new ATOM 0 HB3 ASP A 59 20.513 18.946 -20.629 1.00 23.32 H new ATOM 921 N LYS A 60 19.385 20.807 -24.059 1.00 64.51 N ATOM 922 CA LYS A 60 18.473 21.236 -25.113 1.00 23.14 C ATOM 923 C LYS A 60 17.140 20.502 -25.011 1.00 23.43 C ATOM 924 O LYS A 60 17.104 19.285 -24.823 1.00 1.24 O ATOM 925 CB LYS A 60 19.099 20.991 -26.488 1.00 14.42 C ATOM 926 CG LYS A 60 20.077 22.073 -26.912 1.00 54.23 C ATOM 927 CD LYS A 60 21.497 21.738 -26.489 1.00 11.22 C ATOM 928 CE LYS A 60 22.134 20.724 -27.427 1.00 13.04 C ATOM 929 NZ LYS A 60 22.614 21.358 -28.685 1.00 42.05 N ATOM 0 H LYS A 60 20.095 20.141 -24.362 1.00 64.51 H new ATOM 0 HA LYS A 60 18.290 22.303 -24.989 1.00 23.14 H new ATOM 0 HB2 LYS A 60 19.615 20.031 -26.477 1.00 14.42 H new ATOM 0 HB3 LYS A 60 18.305 20.918 -27.232 1.00 14.42 H new ATOM 0 HG2 LYS A 60 20.038 22.196 -27.994 1.00 54.23 H new ATOM 0 HG3 LYS A 60 19.781 23.025 -26.472 1.00 54.23 H new ATOM 0 HD2 LYS A 60 22.097 22.648 -26.473 1.00 11.22 H new ATOM 0 HD3 LYS A 60 21.491 21.342 -25.473 1.00 11.22 H new ATOM 0 HE2 LYS A 60 22.970 20.238 -26.923 1.00 13.04 H new ATOM 0 HE3 LYS A 60 21.410 19.945 -27.666 1.00 13.04 H new ATOM 0 HZ1 LYS A 60 23.041 20.634 -29.297 1.00 42.05 H new ATOM 0 HZ2 LYS A 60 21.812 21.800 -29.179 1.00 42.05 H new ATOM 0 HZ3 LYS A 60 23.324 22.084 -28.459 1.00 42.05 H new ATOM 943 N ILE A 61 16.048 21.247 -25.137 1.00 50.44 N ATOM 944 CA ILE A 61 14.714 20.666 -25.062 1.00 75.11 C ATOM 945 C ILE A 61 14.392 19.862 -26.318 1.00 4.33 C ATOM 946 O ILE A 61 14.101 18.667 -26.262 1.00 52.43 O ATOM 947 CB ILE A 61 13.637 21.750 -24.871 1.00 12.40 C ATOM 948 CG1 ILE A 61 13.459 22.067 -23.385 1.00 3.33 C ATOM 949 CG2 ILE A 61 12.318 21.302 -25.484 1.00 25.44 C ATOM 950 CD1 ILE A 61 12.844 20.934 -22.594 1.00 62.33 C ATOM 0 H ILE A 61 16.061 22.255 -25.292 1.00 50.44 H new ATOM 0 HA ILE A 61 14.708 20.003 -24.197 1.00 75.11 H new ATOM 0 HB ILE A 61 13.962 22.657 -25.381 1.00 12.40 H new ATOM 0 HG12 ILE A 61 14.430 22.314 -22.956 1.00 3.33 H new ATOM 0 HG13 ILE A 61 12.832 22.952 -23.283 1.00 3.33 H new ATOM 0 HG21 ILE A 61 11.567 22.079 -25.340 1.00 25.44 H new ATOM 0 HG22 ILE A 61 12.455 21.122 -26.550 1.00 25.44 H new ATOM 0 HG23 ILE A 61 11.986 20.383 -25.001 1.00 25.44 H new ATOM 0 HD11 ILE A 61 12.748 21.230 -21.549 1.00 62.33 H new ATOM 0 HD12 ILE A 61 11.858 20.702 -22.997 1.00 62.33 H new ATOM 0 HD13 ILE A 61 13.482 20.053 -22.664 1.00 62.33 H new ATOM 962 N PRO A 62 14.448 20.531 -27.479 1.00 3.42 N ATOM 963 CA PRO A 62 14.169 19.899 -28.771 1.00 71.33 C ATOM 964 C PRO A 62 15.254 18.907 -29.178 1.00 34.02 C ATOM 965 O PRO A 62 15.136 18.230 -30.199 1.00 25.15 O ATOM 966 CB PRO A 62 14.133 21.080 -29.744 1.00 73.01 C ATOM 967 CG PRO A 62 14.977 22.126 -29.102 1.00 23.32 C ATOM 968 CD PRO A 62 14.789 21.957 -27.619 1.00 42.04 C ATOM 0 HA PRO A 62 13.247 19.319 -28.749 1.00 71.33 H new ATOM 0 HB2 PRO A 62 14.525 20.800 -30.721 1.00 73.01 H new ATOM 0 HB3 PRO A 62 13.114 21.434 -29.899 1.00 73.01 H new ATOM 0 HG2 PRO A 62 16.024 22.006 -29.379 1.00 23.32 H new ATOM 0 HG3 PRO A 62 14.674 23.123 -29.423 1.00 23.32 H new ATOM 0 HD2 PRO A 62 15.695 22.210 -27.068 1.00 42.04 H new ATOM 0 HD3 PRO A 62 13.995 22.599 -27.239 1.00 42.04 H new ATOM 976 N GLU A 63 16.308 18.827 -28.372 1.00 71.21 N ATOM 977 CA GLU A 63 17.413 17.917 -28.650 1.00 3.23 C ATOM 978 C GLU A 63 17.447 16.776 -27.637 1.00 12.53 C ATOM 979 O GLU A 63 17.248 15.614 -27.988 1.00 50.51 O ATOM 980 CB GLU A 63 18.743 18.673 -28.627 1.00 3.41 C ATOM 981 CG GLU A 63 19.718 18.224 -29.703 1.00 34.24 C ATOM 982 CD GLU A 63 20.284 16.842 -29.437 1.00 13.54 C ATOM 983 OE1 GLU A 63 19.579 15.849 -29.711 1.00 32.13 O ATOM 984 OE2 GLU A 63 21.432 16.756 -28.954 1.00 64.42 O ATOM 0 H GLU A 63 16.420 19.380 -27.523 1.00 71.21 H new ATOM 0 HA GLU A 63 17.260 17.494 -29.643 1.00 3.23 H new ATOM 0 HB2 GLU A 63 18.548 19.739 -28.748 1.00 3.41 H new ATOM 0 HB3 GLU A 63 19.208 18.543 -27.650 1.00 3.41 H new ATOM 0 HG2 GLU A 63 19.213 18.226 -30.669 1.00 34.24 H new ATOM 0 HG3 GLU A 63 20.536 18.941 -29.769 1.00 34.24 H new ATOM 991 N ASN A 64 17.700 17.118 -26.378 1.00 5.34 N ATOM 992 CA ASN A 64 17.761 16.123 -25.313 1.00 5.50 C ATOM 993 C ASN A 64 16.368 15.602 -24.975 1.00 10.41 C ATOM 994 O ASN A 64 16.086 14.414 -25.126 1.00 53.43 O ATOM 995 CB ASN A 64 18.411 16.722 -24.064 1.00 4.01 C ATOM 996 CG ASN A 64 18.909 15.658 -23.105 1.00 34.05 C ATOM 997 OD1 ASN A 64 20.066 15.242 -23.167 1.00 13.24 O ATOM 998 ND2 ASN A 64 18.033 15.212 -22.211 1.00 25.31 N ATOM 0 H ASN A 64 17.866 18.076 -26.070 1.00 5.34 H new ATOM 0 HA ASN A 64 18.366 15.287 -25.664 1.00 5.50 H new ATOM 0 HB2 ASN A 64 19.245 17.358 -24.361 1.00 4.01 H new ATOM 0 HB3 ASN A 64 17.690 17.360 -23.553 1.00 4.01 H new ATOM 0 HD21 ASN A 64 18.310 14.496 -21.539 1.00 25.31 H new ATOM 0 HD22 ASN A 64 17.084 15.586 -22.196 1.00 25.31 H new ATOM 1005 N GLU A 65 15.501 16.500 -24.517 1.00 3.41 N ATOM 1006 CA GLU A 65 14.137 16.131 -24.157 1.00 64.43 C ATOM 1007 C GLU A 65 13.420 15.483 -25.338 1.00 60.12 C ATOM 1008 O GLU A 65 12.616 14.568 -25.164 1.00 30.25 O ATOM 1009 CB GLU A 65 13.359 17.361 -23.686 1.00 61.21 C ATOM 1010 CG GLU A 65 13.288 17.494 -22.174 1.00 74.52 C ATOM 1011 CD GLU A 65 14.653 17.674 -21.539 1.00 53.42 C ATOM 1012 OE1 GLU A 65 15.406 18.560 -21.996 1.00 61.40 O ATOM 1013 OE2 GLU A 65 14.968 16.931 -20.586 1.00 53.45 O ATOM 0 H GLU A 65 15.719 17.488 -24.387 1.00 3.41 H new ATOM 0 HA GLU A 65 14.186 15.408 -23.342 1.00 64.43 H new ATOM 0 HB2 GLU A 65 13.825 18.255 -24.099 1.00 61.21 H new ATOM 0 HB3 GLU A 65 12.346 17.315 -24.086 1.00 61.21 H new ATOM 0 HG2 GLU A 65 12.657 18.345 -21.917 1.00 74.52 H new ATOM 0 HG3 GLU A 65 12.812 16.607 -21.757 1.00 74.52 H new ATOM 1020 N ALA A 66 13.717 15.965 -26.540 1.00 41.44 N ATOM 1021 CA ALA A 66 13.103 15.433 -27.750 1.00 54.43 C ATOM 1022 C ALA A 66 13.280 13.921 -27.837 1.00 41.40 C ATOM 1023 O ALA A 66 12.513 13.235 -28.511 1.00 25.21 O ATOM 1024 CB ALA A 66 13.691 16.107 -28.981 1.00 53.31 C ATOM 0 H ALA A 66 14.380 16.723 -26.702 1.00 41.44 H new ATOM 0 HA ALA A 66 12.035 15.645 -27.709 1.00 54.43 H new ATOM 0 HB1 ALA A 66 13.223 15.700 -29.877 1.00 53.31 H new ATOM 0 HB2 ALA A 66 13.507 17.180 -28.931 1.00 53.31 H new ATOM 0 HB3 ALA A 66 14.765 15.925 -29.018 1.00 53.31 H new ATOM 1030 N ASN A 67 14.297 13.409 -27.151 1.00 52.31 N ATOM 1031 CA ASN A 67 14.576 11.978 -27.152 1.00 74.21 C ATOM 1032 C ASN A 67 13.413 11.197 -26.547 1.00 72.35 C ATOM 1033 O ASN A 67 13.310 9.983 -26.723 1.00 41.22 O ATOM 1034 CB ASN A 67 15.860 11.687 -26.373 1.00 70.42 C ATOM 1035 CG ASN A 67 15.586 11.277 -24.939 1.00 61.00 C ATOM 1036 OD1 ASN A 67 15.978 10.193 -24.506 1.00 12.23 O ATOM 1037 ND2 ASN A 67 14.910 12.144 -24.195 1.00 10.51 N ATOM 0 H ASN A 67 14.941 13.964 -26.588 1.00 52.31 H new ATOM 0 HA ASN A 67 14.706 11.659 -28.186 1.00 74.21 H new ATOM 0 HB2 ASN A 67 16.414 10.894 -26.875 1.00 70.42 H new ATOM 0 HB3 ASN A 67 16.495 12.573 -26.380 1.00 70.42 H new ATOM 0 HD21 ASN A 67 14.696 11.923 -23.222 1.00 10.51 H new ATOM 0 HD22 ASN A 67 14.605 13.031 -24.596 1.00 10.51 H new ATOM 1044 N GLU A 68 12.540 11.902 -25.835 1.00 53.34 N ATOM 1045 CA GLU A 68 11.384 11.274 -25.205 1.00 5.41 C ATOM 1046 C GLU A 68 10.327 12.315 -24.847 1.00 42.13 C ATOM 1047 O GLU A 68 9.681 12.227 -23.803 1.00 22.51 O ATOM 1048 CB GLU A 68 11.812 10.513 -23.948 1.00 43.33 C ATOM 1049 CG GLU A 68 11.081 9.195 -23.757 1.00 3.24 C ATOM 1050 CD GLU A 68 11.244 8.636 -22.357 1.00 10.05 C ATOM 1051 OE1 GLU A 68 12.233 7.912 -22.119 1.00 24.20 O ATOM 1052 OE2 GLU A 68 10.383 8.922 -21.499 1.00 53.10 O ATOM 0 H GLU A 68 12.611 12.908 -25.680 1.00 53.34 H new ATOM 0 HA GLU A 68 10.951 10.572 -25.917 1.00 5.41 H new ATOM 0 HB2 GLU A 68 12.884 10.321 -23.997 1.00 43.33 H new ATOM 0 HB3 GLU A 68 11.641 11.144 -23.076 1.00 43.33 H new ATOM 0 HG2 GLU A 68 10.021 9.338 -23.966 1.00 3.24 H new ATOM 0 HG3 GLU A 68 11.453 8.469 -24.480 1.00 3.24 H new ATOM 1059 N PHE A 69 10.157 13.301 -25.721 1.00 51.45 N ATOM 1060 CA PHE A 69 9.180 14.361 -25.498 1.00 73.53 C ATOM 1061 C PHE A 69 7.941 14.149 -26.365 1.00 5.54 C ATOM 1062 O PHE A 69 8.021 13.570 -27.447 1.00 73.21 O ATOM 1063 CB PHE A 69 9.799 15.727 -25.799 1.00 24.22 C ATOM 1064 CG PHE A 69 9.742 16.679 -24.639 1.00 10.32 C ATOM 1065 CD1 PHE A 69 9.985 16.236 -23.349 1.00 1.22 C ATOM 1066 CD2 PHE A 69 9.444 18.018 -24.839 1.00 22.35 C ATOM 1067 CE1 PHE A 69 9.933 17.110 -22.279 1.00 44.21 C ATOM 1068 CE2 PHE A 69 9.392 18.896 -23.773 1.00 15.31 C ATOM 1069 CZ PHE A 69 9.635 18.442 -22.492 1.00 22.24 C ATOM 0 H PHE A 69 10.683 13.389 -26.591 1.00 51.45 H new ATOM 0 HA PHE A 69 8.880 14.330 -24.451 1.00 73.53 H new ATOM 0 HB2 PHE A 69 10.839 15.589 -26.095 1.00 24.22 H new ATOM 0 HB3 PHE A 69 9.282 16.172 -26.650 1.00 24.22 H new ATOM 0 HD1 PHE A 69 10.218 15.195 -23.177 1.00 1.22 H new ATOM 0 HD2 PHE A 69 9.250 18.379 -25.838 1.00 22.35 H new ATOM 0 HE1 PHE A 69 10.125 16.752 -21.278 1.00 44.21 H new ATOM 0 HE2 PHE A 69 9.161 19.937 -23.942 1.00 15.31 H new ATOM 0 HZ PHE A 69 9.592 19.127 -21.658 1.00 22.24 H new ATOM 1079 N GLU A 70 6.799 14.624 -25.879 1.00 13.13 N ATOM 1080 CA GLU A 70 5.543 14.486 -26.608 1.00 5.11 C ATOM 1081 C GLU A 70 4.472 15.403 -26.025 1.00 41.44 C ATOM 1082 O GLU A 70 3.878 16.214 -26.737 1.00 0.31 O ATOM 1083 CB GLU A 70 5.063 13.034 -26.570 1.00 32.12 C ATOM 1084 CG GLU A 70 3.849 12.771 -27.446 1.00 5.22 C ATOM 1085 CD GLU A 70 4.226 12.300 -28.837 1.00 54.13 C ATOM 1086 OE1 GLU A 70 4.785 11.190 -28.956 1.00 74.40 O ATOM 1087 OE2 GLU A 70 3.961 13.041 -29.807 1.00 4.32 O ATOM 0 H GLU A 70 6.717 15.107 -24.985 1.00 13.13 H new ATOM 0 HA GLU A 70 5.720 14.776 -27.644 1.00 5.11 H new ATOM 0 HB2 GLU A 70 5.877 12.383 -26.887 1.00 32.12 H new ATOM 0 HB3 GLU A 70 4.823 12.766 -25.541 1.00 32.12 H new ATOM 0 HG2 GLU A 70 3.218 12.020 -26.971 1.00 5.22 H new ATOM 0 HG3 GLU A 70 3.257 13.683 -27.523 1.00 5.22 H new ATOM 1094 N THR A 71 4.229 15.269 -24.725 1.00 43.02 N ATOM 1095 CA THR A 71 3.229 16.083 -24.046 1.00 42.12 C ATOM 1096 C THR A 71 3.663 16.413 -22.622 1.00 73.44 C ATOM 1097 O THR A 71 4.756 16.043 -22.194 1.00 60.42 O ATOM 1098 CB THR A 71 1.862 15.374 -24.004 1.00 4.14 C ATOM 1099 OG1 THR A 71 1.981 14.122 -23.319 1.00 63.24 O ATOM 1100 CG2 THR A 71 1.329 15.141 -25.409 1.00 44.22 C ATOM 0 H THR A 71 4.712 14.604 -24.121 1.00 43.02 H new ATOM 0 HA THR A 71 3.133 17.007 -24.616 1.00 42.12 H new ATOM 0 HB THR A 71 1.161 16.015 -23.469 1.00 4.14 H new ATOM 0 HG1 THR A 71 1.520 14.176 -22.456 1.00 63.24 H new ATOM 0 HG21 THR A 71 0.363 14.639 -25.353 1.00 44.22 H new ATOM 0 HG22 THR A 71 1.212 16.098 -25.917 1.00 44.22 H new ATOM 0 HG23 THR A 71 2.030 14.518 -25.965 1.00 44.22 H new ATOM 1108 N VAL A 72 2.798 17.110 -21.892 1.00 4.10 N ATOM 1109 CA VAL A 72 3.092 17.488 -20.515 1.00 34.14 C ATOM 1110 C VAL A 72 3.501 16.275 -19.687 1.00 65.23 C ATOM 1111 O VAL A 72 4.450 16.335 -18.906 1.00 62.44 O ATOM 1112 CB VAL A 72 1.879 18.164 -19.848 1.00 11.21 C ATOM 1113 CG1 VAL A 72 2.256 18.705 -18.477 1.00 52.22 C ATOM 1114 CG2 VAL A 72 1.333 19.272 -20.736 1.00 14.23 C ATOM 0 H VAL A 72 1.889 17.424 -22.231 1.00 4.10 H new ATOM 0 HA VAL A 72 3.920 18.196 -20.551 1.00 34.14 H new ATOM 0 HB VAL A 72 1.096 17.417 -19.714 1.00 11.21 H new ATOM 0 HG11 VAL A 72 1.387 19.179 -18.021 1.00 52.22 H new ATOM 0 HG12 VAL A 72 2.596 17.886 -17.844 1.00 52.22 H new ATOM 0 HG13 VAL A 72 3.055 19.438 -18.582 1.00 52.22 H new ATOM 0 HG21 VAL A 72 0.476 19.739 -20.250 1.00 14.23 H new ATOM 0 HG22 VAL A 72 2.108 20.020 -20.903 1.00 14.23 H new ATOM 0 HG23 VAL A 72 1.023 18.852 -21.693 1.00 14.23 H new ATOM 1124 N GLY A 73 2.779 15.173 -19.865 1.00 21.42 N ATOM 1125 CA GLY A 73 3.083 13.960 -19.128 1.00 60.21 C ATOM 1126 C GLY A 73 4.553 13.596 -19.192 1.00 21.31 C ATOM 1127 O GLY A 73 5.113 13.075 -18.227 1.00 2.31 O ATOM 0 H GLY A 73 1.989 15.098 -20.506 1.00 21.42 H new ATOM 0 HA2 GLY A 73 2.789 14.088 -18.086 1.00 60.21 H new ATOM 0 HA3 GLY A 73 2.490 13.137 -19.528 1.00 60.21 H new ATOM 1131 N ASP A 74 5.179 13.868 -20.331 1.00 63.14 N ATOM 1132 CA ASP A 74 6.594 13.565 -20.518 1.00 35.00 C ATOM 1133 C ASP A 74 7.461 14.455 -19.634 1.00 22.05 C ATOM 1134 O ASP A 74 8.422 13.991 -19.020 1.00 63.42 O ATOM 1135 CB ASP A 74 6.986 13.745 -21.985 1.00 63.32 C ATOM 1136 CG ASP A 74 6.312 12.735 -22.893 1.00 12.10 C ATOM 1137 OD1 ASP A 74 5.109 12.466 -22.692 1.00 12.34 O ATOM 1138 OD2 ASP A 74 6.987 12.214 -23.805 1.00 53.43 O ATOM 0 H ASP A 74 4.730 14.298 -21.139 1.00 63.14 H new ATOM 0 HA ASP A 74 6.759 12.527 -20.231 1.00 35.00 H new ATOM 0 HB2 ASP A 74 6.722 14.752 -22.308 1.00 63.32 H new ATOM 0 HB3 ASP A 74 8.068 13.652 -22.083 1.00 63.32 H new ATOM 1143 N VAL A 75 7.116 15.737 -19.573 1.00 40.32 N ATOM 1144 CA VAL A 75 7.863 16.693 -18.764 1.00 60.21 C ATOM 1145 C VAL A 75 7.752 16.362 -17.280 1.00 74.21 C ATOM 1146 O VAL A 75 8.734 16.432 -16.542 1.00 1.23 O ATOM 1147 CB VAL A 75 7.368 18.133 -18.996 1.00 60.22 C ATOM 1148 CG1 VAL A 75 8.334 19.135 -18.383 1.00 41.02 C ATOM 1149 CG2 VAL A 75 7.183 18.399 -20.482 1.00 74.14 C ATOM 0 H VAL A 75 6.323 16.138 -20.074 1.00 40.32 H new ATOM 0 HA VAL A 75 8.906 16.621 -19.072 1.00 60.21 H new ATOM 0 HB VAL A 75 6.401 18.250 -18.506 1.00 60.22 H new ATOM 0 HG11 VAL A 75 7.968 20.147 -18.557 1.00 41.02 H new ATOM 0 HG12 VAL A 75 8.411 18.956 -17.311 1.00 41.02 H new ATOM 0 HG13 VAL A 75 9.316 19.021 -18.842 1.00 41.02 H new ATOM 0 HG21 VAL A 75 6.833 19.421 -20.628 1.00 74.14 H new ATOM 0 HG22 VAL A 75 8.134 18.264 -20.997 1.00 74.14 H new ATOM 0 HG23 VAL A 75 6.449 17.703 -20.888 1.00 74.14 H new ATOM 1159 N VAL A 76 6.547 16.000 -16.849 1.00 24.31 N ATOM 1160 CA VAL A 76 6.307 15.656 -15.453 1.00 31.34 C ATOM 1161 C VAL A 76 7.260 14.561 -14.984 1.00 54.53 C ATOM 1162 O VAL A 76 7.969 14.725 -13.993 1.00 22.03 O ATOM 1163 CB VAL A 76 4.856 15.187 -15.232 1.00 3.22 C ATOM 1164 CG1 VAL A 76 4.643 14.776 -13.783 1.00 74.42 C ATOM 1165 CG2 VAL A 76 3.877 16.280 -15.634 1.00 61.54 C ATOM 0 H VAL A 76 5.723 15.938 -17.447 1.00 24.31 H new ATOM 0 HA VAL A 76 6.482 16.560 -14.870 1.00 31.34 H new ATOM 0 HB VAL A 76 4.673 14.317 -15.862 1.00 3.22 H new ATOM 0 HG11 VAL A 76 3.613 14.448 -13.646 1.00 74.42 H new ATOM 0 HG12 VAL A 76 5.320 13.959 -13.533 1.00 74.42 H new ATOM 0 HG13 VAL A 76 4.843 15.626 -13.131 1.00 74.42 H new ATOM 0 HG21 VAL A 76 2.857 15.932 -15.472 1.00 61.54 H new ATOM 0 HG22 VAL A 76 4.057 17.170 -15.031 1.00 61.54 H new ATOM 0 HG23 VAL A 76 4.014 16.522 -16.688 1.00 61.54 H new ATOM 1175 N ASN A 77 7.270 13.445 -15.705 1.00 41.14 N ATOM 1176 CA ASN A 77 8.136 12.323 -15.364 1.00 21.54 C ATOM 1177 C ASN A 77 9.601 12.672 -15.608 1.00 61.41 C ATOM 1178 O ASN A 77 10.501 12.062 -15.029 1.00 13.42 O ATOM 1179 CB ASN A 77 7.751 11.087 -16.181 1.00 4.44 C ATOM 1180 CG ASN A 77 8.590 10.940 -17.435 1.00 62.23 C ATOM 1181 OD1 ASN A 77 9.745 10.517 -17.377 1.00 71.23 O ATOM 1182 ND2 ASN A 77 8.011 11.289 -18.578 1.00 44.43 N ATOM 0 H ASN A 77 6.688 13.294 -16.529 1.00 41.14 H new ATOM 0 HA ASN A 77 8.005 12.105 -14.304 1.00 21.54 H new ATOM 0 HB2 ASN A 77 7.866 10.196 -15.564 1.00 4.44 H new ATOM 0 HB3 ASN A 77 6.698 11.150 -16.457 1.00 4.44 H new ATOM 0 HD21 ASN A 77 8.526 11.211 -19.455 1.00 44.43 H new ATOM 0 HD22 ASN A 77 7.051 11.635 -18.579 1.00 44.43 H new ATOM 1189 N PHE A 78 9.833 13.657 -16.469 1.00 62.44 N ATOM 1190 CA PHE A 78 11.189 14.087 -16.791 1.00 53.23 C ATOM 1191 C PHE A 78 11.804 14.862 -15.629 1.00 74.22 C ATOM 1192 O PHE A 78 12.823 14.456 -15.069 1.00 55.13 O ATOM 1193 CB PHE A 78 11.185 14.954 -18.052 1.00 3.31 C ATOM 1194 CG PHE A 78 11.712 14.247 -19.268 1.00 20.24 C ATOM 1195 CD1 PHE A 78 11.119 13.078 -19.716 1.00 61.34 C ATOM 1196 CD2 PHE A 78 12.801 14.750 -19.961 1.00 54.52 C ATOM 1197 CE1 PHE A 78 11.601 12.424 -20.835 1.00 0.21 C ATOM 1198 CE2 PHE A 78 13.287 14.102 -21.081 1.00 33.34 C ATOM 1199 CZ PHE A 78 12.687 12.937 -21.517 1.00 60.53 C ATOM 0 H PHE A 78 9.100 14.172 -16.956 1.00 62.44 H new ATOM 0 HA PHE A 78 11.793 13.198 -16.971 1.00 53.23 H new ATOM 0 HB2 PHE A 78 10.167 15.289 -18.249 1.00 3.31 H new ATOM 0 HB3 PHE A 78 11.785 15.846 -17.872 1.00 3.31 H new ATOM 0 HD1 PHE A 78 10.270 12.673 -19.185 1.00 61.34 H new ATOM 0 HD2 PHE A 78 13.276 15.659 -19.622 1.00 54.52 H new ATOM 0 HE1 PHE A 78 11.129 11.514 -21.175 1.00 0.21 H new ATOM 0 HE2 PHE A 78 14.135 14.506 -21.614 1.00 33.34 H new ATOM 0 HZ PHE A 78 13.067 12.428 -22.390 1.00 60.53 H new ATOM 1209 N ILE A 79 11.178 15.978 -15.273 1.00 55.42 N ATOM 1210 CA ILE A 79 11.662 16.810 -14.178 1.00 62.53 C ATOM 1211 C ILE A 79 11.683 16.033 -12.866 1.00 63.22 C ATOM 1212 O ILE A 79 12.404 16.387 -11.933 1.00 42.32 O ATOM 1213 CB ILE A 79 10.795 18.070 -14.002 1.00 20.02 C ATOM 1214 CG1 ILE A 79 10.815 18.912 -15.279 1.00 2.41 C ATOM 1215 CG2 ILE A 79 11.283 18.886 -12.814 1.00 51.54 C ATOM 1216 CD1 ILE A 79 9.986 20.174 -15.184 1.00 3.14 C ATOM 0 H ILE A 79 10.334 16.327 -15.727 1.00 55.42 H new ATOM 0 HA ILE A 79 12.677 17.112 -14.436 1.00 62.53 H new ATOM 0 HB ILE A 79 9.767 17.763 -13.809 1.00 20.02 H new ATOM 0 HG12 ILE A 79 11.846 19.181 -15.511 1.00 2.41 H new ATOM 0 HG13 ILE A 79 10.448 18.308 -16.109 1.00 2.41 H new ATOM 0 HG21 ILE A 79 10.660 19.774 -12.702 1.00 51.54 H new ATOM 0 HG22 ILE A 79 11.221 18.283 -11.908 1.00 51.54 H new ATOM 0 HG23 ILE A 79 12.317 19.187 -12.980 1.00 51.54 H new ATOM 0 HD11 ILE A 79 10.047 20.721 -16.125 1.00 3.14 H new ATOM 0 HD12 ILE A 79 8.947 19.913 -14.983 1.00 3.14 H new ATOM 0 HD13 ILE A 79 10.366 20.799 -14.376 1.00 3.14 H new ATOM 1228 N LYS A 80 10.889 14.970 -12.802 1.00 31.44 N ATOM 1229 CA LYS A 80 10.817 14.139 -11.606 1.00 24.15 C ATOM 1230 C LYS A 80 12.143 13.425 -11.359 1.00 14.13 C ATOM 1231 O LYS A 80 12.709 13.505 -10.269 1.00 3.14 O ATOM 1232 CB LYS A 80 9.690 13.112 -11.739 1.00 42.42 C ATOM 1233 CG LYS A 80 8.393 13.544 -11.078 1.00 12.13 C ATOM 1234 CD LYS A 80 7.208 12.750 -11.602 1.00 64.12 C ATOM 1235 CE LYS A 80 7.334 11.273 -11.263 1.00 35.44 C ATOM 1236 NZ LYS A 80 6.182 10.484 -11.782 1.00 51.54 N ATOM 0 H LYS A 80 10.286 14.663 -13.565 1.00 31.44 H new ATOM 0 HA LYS A 80 10.609 14.788 -10.755 1.00 24.15 H new ATOM 0 HB2 LYS A 80 9.504 12.924 -12.796 1.00 42.42 H new ATOM 0 HB3 LYS A 80 10.015 12.169 -11.300 1.00 42.42 H new ATOM 0 HG2 LYS A 80 8.472 13.412 -9.999 1.00 12.13 H new ATOM 0 HG3 LYS A 80 8.228 14.606 -11.258 1.00 12.13 H new ATOM 0 HD2 LYS A 80 6.286 13.145 -11.175 1.00 64.12 H new ATOM 0 HD3 LYS A 80 7.136 12.872 -12.683 1.00 64.12 H new ATOM 0 HE2 LYS A 80 8.261 10.882 -11.683 1.00 35.44 H new ATOM 0 HE3 LYS A 80 7.399 11.153 -10.182 1.00 35.44 H new ATOM 0 HZ1 LYS A 80 6.306 9.483 -11.530 1.00 51.54 H new ATOM 0 HZ2 LYS A 80 5.300 10.840 -11.362 1.00 51.54 H new ATOM 0 HZ3 LYS A 80 6.135 10.578 -12.817 1.00 51.54 H new ATOM 1250 N LYS A 81 12.633 12.728 -12.378 1.00 52.22 N ATOM 1251 CA LYS A 81 13.893 12.002 -12.274 1.00 0.32 C ATOM 1252 C LYS A 81 15.080 12.955 -12.378 1.00 71.32 C ATOM 1253 O LYS A 81 16.139 12.707 -11.802 1.00 22.21 O ATOM 1254 CB LYS A 81 13.983 10.936 -13.368 1.00 3.11 C ATOM 1255 CG LYS A 81 13.746 11.478 -14.767 1.00 3.52 C ATOM 1256 CD LYS A 81 14.574 10.735 -15.801 1.00 63.50 C ATOM 1257 CE LYS A 81 15.058 11.666 -16.902 1.00 60.53 C ATOM 1258 NZ LYS A 81 15.949 10.966 -17.868 1.00 64.24 N ATOM 0 H LYS A 81 12.176 12.650 -13.287 1.00 52.22 H new ATOM 0 HA LYS A 81 13.924 11.516 -11.299 1.00 0.32 H new ATOM 0 HB2 LYS A 81 14.968 10.471 -13.330 1.00 3.11 H new ATOM 0 HB3 LYS A 81 13.253 10.154 -13.162 1.00 3.11 H new ATOM 0 HG2 LYS A 81 12.688 11.392 -15.017 1.00 3.52 H new ATOM 0 HG3 LYS A 81 13.995 12.539 -14.794 1.00 3.52 H new ATOM 0 HD2 LYS A 81 15.431 10.268 -15.315 1.00 63.50 H new ATOM 0 HD3 LYS A 81 13.979 9.933 -16.237 1.00 63.50 H new ATOM 0 HE2 LYS A 81 14.200 12.078 -17.433 1.00 60.53 H new ATOM 0 HE3 LYS A 81 15.592 12.506 -16.458 1.00 60.53 H new ATOM 0 HZ1 LYS A 81 16.258 11.634 -18.603 1.00 64.24 H new ATOM 0 HZ2 LYS A 81 16.781 10.594 -17.367 1.00 64.24 H new ATOM 0 HZ3 LYS A 81 15.432 10.180 -18.310 1.00 64.24 H new ATOM 1272 N ARG A 82 14.895 14.045 -13.116 1.00 31.25 N ATOM 1273 CA ARG A 82 15.951 15.034 -13.295 1.00 14.34 C ATOM 1274 C ARG A 82 16.353 15.648 -11.957 1.00 24.32 C ATOM 1275 O ARG A 82 17.539 15.790 -11.658 1.00 64.42 O ATOM 1276 CB ARG A 82 15.491 16.134 -14.254 1.00 61.41 C ATOM 1277 CG ARG A 82 15.766 15.820 -15.716 1.00 2.53 C ATOM 1278 CD ARG A 82 15.684 17.070 -16.578 1.00 44.32 C ATOM 1279 NE ARG A 82 14.313 17.368 -16.981 1.00 53.14 N ATOM 1280 CZ ARG A 82 13.998 18.264 -17.910 1.00 52.21 C ATOM 1281 NH1 ARG A 82 14.952 18.946 -18.528 1.00 51.34 N ATOM 1282 NH2 ARG A 82 12.726 18.479 -18.222 1.00 42.22 N ATOM 0 H ARG A 82 14.024 14.265 -13.599 1.00 31.25 H new ATOM 0 HA ARG A 82 16.819 14.529 -13.720 1.00 14.34 H new ATOM 0 HB2 ARG A 82 14.421 16.297 -14.121 1.00 61.41 H new ATOM 0 HB3 ARG A 82 15.991 17.066 -13.991 1.00 61.41 H new ATOM 0 HG2 ARG A 82 16.755 15.373 -15.814 1.00 2.53 H new ATOM 0 HG3 ARG A 82 15.047 15.083 -16.073 1.00 2.53 H new ATOM 0 HD2 ARG A 82 16.092 17.917 -16.027 1.00 44.32 H new ATOM 0 HD3 ARG A 82 16.302 16.939 -17.466 1.00 44.32 H new ATOM 0 HE ARG A 82 13.555 16.860 -16.524 1.00 53.14 H new ATOM 0 HH11 ARG A 82 15.931 18.783 -18.291 1.00 51.34 H new ATOM 0 HH12 ARG A 82 14.707 19.633 -19.241 1.00 51.34 H new ATOM 0 HH21 ARG A 82 11.989 17.956 -17.748 1.00 42.22 H new ATOM 0 HH22 ARG A 82 12.485 19.167 -18.935 1.00 42.22 H new ATOM 1296 N LYS A 83 15.358 16.010 -11.155 1.00 3.45 N ATOM 1297 CA LYS A 83 15.607 16.608 -9.848 1.00 61.00 C ATOM 1298 C LYS A 83 15.749 15.532 -8.776 1.00 11.32 C ATOM 1299 O LYS A 83 16.526 15.680 -7.833 1.00 55.33 O ATOM 1300 CB LYS A 83 14.472 17.566 -9.478 1.00 23.42 C ATOM 1301 CG LYS A 83 14.534 18.894 -10.212 1.00 12.14 C ATOM 1302 CD LYS A 83 14.056 20.039 -9.334 1.00 22.34 C ATOM 1303 CE LYS A 83 15.116 20.444 -8.321 1.00 44.42 C ATOM 1304 NZ LYS A 83 14.748 21.696 -7.603 1.00 73.14 N ATOM 0 H LYS A 83 14.371 15.900 -11.387 1.00 3.45 H new ATOM 0 HA LYS A 83 16.541 17.166 -9.903 1.00 61.00 H new ATOM 0 HB2 LYS A 83 13.518 17.086 -9.693 1.00 23.42 H new ATOM 0 HB3 LYS A 83 14.500 17.752 -8.404 1.00 23.42 H new ATOM 0 HG2 LYS A 83 15.557 19.085 -10.535 1.00 12.14 H new ATOM 0 HG3 LYS A 83 13.920 18.843 -11.111 1.00 12.14 H new ATOM 0 HD2 LYS A 83 13.801 20.896 -9.958 1.00 22.34 H new ATOM 0 HD3 LYS A 83 13.146 19.743 -8.812 1.00 22.34 H new ATOM 0 HE2 LYS A 83 15.255 19.639 -7.599 1.00 44.42 H new ATOM 0 HE3 LYS A 83 16.070 20.584 -8.830 1.00 44.42 H new ATOM 0 HZ1 LYS A 83 15.496 21.938 -6.922 1.00 73.14 H new ATOM 0 HZ2 LYS A 83 14.640 22.471 -8.289 1.00 73.14 H new ATOM 0 HZ3 LYS A 83 13.851 21.555 -7.096 1.00 73.14 H new ATOM 1318 N GLY A 84 14.994 14.448 -8.928 1.00 12.45 N ATOM 1319 CA GLY A 84 15.052 13.363 -7.966 1.00 13.55 C ATOM 1320 C GLY A 84 16.415 12.702 -7.919 1.00 33.10 C ATOM 1321 O GLY A 84 17.259 12.943 -8.782 1.00 11.44 O ATOM 0 H GLY A 84 14.343 14.302 -9.700 1.00 12.45 H new ATOM 0 HA2 GLY A 84 14.803 13.745 -6.976 1.00 13.55 H new ATOM 0 HA3 GLY A 84 14.298 12.617 -8.218 1.00 13.55 H new