USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 547 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 60 ASN : amide:sc= 0.794 K(o=1.7,f=-0.98) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.939 K(o=1.7,f=-0.48) USER MOD Set 2.1: A 55 THR OG1 : rot -70:sc= 1.27 USER MOD Set 2.2: A 57 SER OG : rot -81:sc= 1.2 USER MOD Set 3.1: A 22 THR OG1 : rot -67:sc= 1.27 USER MOD Set 3.2: A 25 ASN : amide:sc= 1.72 K(o=3,f=-6.9!) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0693) USER MOD Single : A 1 MET N :NH3+ -169:sc= 2.42 (180deg=2.15) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -64:sc= 0.0641 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00389 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 2.15 (180deg=2.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 41 GLN : amide:sc= 1.51 K(o=1.5,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00375) USER MOD Single : A 49 GLN : amide:sc= -0.214 K(o=-0.21,f=-5.6!) USER MOD Single : A 59 TYR OH : rot 21:sc= 1.69 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 103:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0048 X(o=-0.0048,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.613 51.325 20.331 1.00 0.00 N ATOM 2 CA MET A 1 32.865 51.554 21.761 1.00 0.00 C ATOM 3 C MET A 1 34.257 52.149 21.981 1.00 0.00 C ATOM 4 O MET A 1 35.223 51.709 21.360 1.00 0.00 O ATOM 5 CB MET A 1 32.656 50.306 22.614 1.00 0.00 C ATOM 6 CG MET A 1 33.617 49.153 22.336 1.00 0.00 C ATOM 7 SD MET A 1 33.577 47.843 23.584 1.00 0.00 S ATOM 8 CE MET A 1 34.851 46.746 22.912 1.00 0.00 C ATOM 0 H1 MET A 1 31.608 51.100 20.187 1.00 0.00 H new ATOM 0 H2 MET A 1 32.856 52.182 19.794 1.00 0.00 H new ATOM 0 H3 MET A 1 33.197 50.531 19.998 1.00 0.00 H new ATOM 0 HA MET A 1 32.121 52.277 22.095 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.745 50.585 23.664 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.636 49.951 22.464 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.379 48.722 21.364 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.631 49.547 22.270 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.875 45.821 23.488 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.623 46.519 21.870 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.822 47.237 22.972 1.00 0.00 H new ATOM 20 N GLN A 2 34.372 53.099 22.904 1.00 0.00 N ATOM 21 CA GLN A 2 35.634 53.678 23.319 1.00 0.00 C ATOM 22 C GLN A 2 36.297 52.822 24.401 1.00 0.00 C ATOM 23 O GLN A 2 35.665 52.522 25.411 1.00 0.00 O ATOM 24 CB GLN A 2 35.395 55.110 23.791 1.00 0.00 C ATOM 25 CG GLN A 2 36.703 55.850 24.056 1.00 0.00 C ATOM 26 CD GLN A 2 36.475 57.310 24.451 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.659 57.716 25.597 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.069 58.161 23.512 1.00 0.00 N ATOM 0 H GLN A 2 33.568 53.493 23.392 1.00 0.00 H new ATOM 0 HA GLN A 2 36.322 53.702 22.474 1.00 0.00 H new ATOM 0 HB2 GLN A 2 34.820 55.649 23.038 1.00 0.00 H new ATOM 0 HB3 GLN A 2 34.795 55.097 24.701 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.250 55.342 24.850 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.327 55.811 23.163 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.914 57.833 22.559 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.913 59.142 23.745 1.00 0.00 H new ATOM 37 N ILE A 3 37.567 52.466 24.228 1.00 0.00 N ATOM 38 CA ILE A 3 38.383 51.778 25.208 1.00 0.00 C ATOM 39 C ILE A 3 39.783 52.391 25.283 1.00 0.00 C ATOM 40 O ILE A 3 40.179 53.169 24.417 1.00 0.00 O ATOM 41 CB ILE A 3 38.435 50.273 24.967 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.096 49.915 23.638 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.050 49.644 25.099 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.347 48.422 23.447 1.00 0.00 C ATOM 0 H ILE A 3 38.071 52.660 23.363 1.00 0.00 H new ATOM 0 HA ILE A 3 37.906 51.916 26.178 1.00 0.00 H new ATOM 0 HB ILE A 3 39.068 49.849 25.747 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.466 50.273 22.824 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.046 50.444 23.563 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.119 48.571 24.922 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.664 49.822 26.103 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.377 50.090 24.367 1.00 0.00 H new ATOM 0 HD11 ILE A 3 39.819 48.253 22.479 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.003 48.059 24.238 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.399 47.886 23.487 1.00 0.00 H new ATOM 56 N PHE A 4 40.558 52.016 26.296 1.00 0.00 N ATOM 57 CA PHE A 4 41.883 52.544 26.547 1.00 0.00 C ATOM 58 C PHE A 4 42.951 51.450 26.612 1.00 0.00 C ATOM 59 O PHE A 4 42.683 50.346 27.079 1.00 0.00 O ATOM 60 CB PHE A 4 41.854 53.370 27.830 1.00 0.00 C ATOM 61 CG PHE A 4 40.778 54.428 27.896 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.854 55.558 27.074 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.685 54.272 28.755 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.832 56.516 27.093 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.665 55.230 28.783 1.00 0.00 C ATOM 66 CZ PHE A 4 38.734 56.350 27.945 1.00 0.00 C ATOM 0 H PHE A 4 40.268 51.317 26.980 1.00 0.00 H new ATOM 0 HA PHE A 4 42.162 53.181 25.707 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.726 52.693 28.675 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.823 53.854 27.953 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.704 55.692 26.422 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.628 53.408 29.400 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.891 57.382 26.451 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.825 55.106 29.451 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.942 57.084 27.956 1.00 0.00 H new ATOM 76 N VAL A 5 44.175 51.749 26.181 1.00 0.00 N ATOM 77 CA VAL A 5 45.312 50.855 26.248 1.00 0.00 C ATOM 78 C VAL A 5 46.523 51.564 26.857 1.00 0.00 C ATOM 79 O VAL A 5 46.887 52.649 26.407 1.00 0.00 O ATOM 80 CB VAL A 5 45.668 50.271 24.885 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.754 49.204 24.996 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.475 49.619 24.193 1.00 0.00 C ATOM 0 H VAL A 5 44.402 52.651 25.763 1.00 0.00 H new ATOM 0 HA VAL A 5 45.026 50.024 26.893 1.00 0.00 H new ATOM 0 HB VAL A 5 46.016 51.121 24.298 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.981 48.811 24.005 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.654 49.644 25.427 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.404 48.394 25.636 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.787 49.221 23.228 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.093 48.808 24.813 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.691 50.361 24.043 1.00 0.00 H new ATOM 92 N LYS A 6 47.178 50.955 27.842 1.00 0.00 N ATOM 93 CA LYS A 6 48.425 51.431 28.406 1.00 0.00 C ATOM 94 C LYS A 6 49.619 50.893 27.614 1.00 0.00 C ATOM 95 O LYS A 6 49.831 49.683 27.611 1.00 0.00 O ATOM 96 CB LYS A 6 48.470 51.086 29.892 1.00 0.00 C ATOM 97 CG LYS A 6 49.598 51.822 30.610 1.00 0.00 C ATOM 98 CD LYS A 6 49.614 51.503 32.102 1.00 0.00 C ATOM 99 CE LYS A 6 50.759 52.245 32.786 1.00 0.00 C ATOM 100 NZ LYS A 6 50.900 51.877 34.204 1.00 0.00 N ATOM 0 H LYS A 6 46.843 50.095 28.277 1.00 0.00 H new ATOM 0 HA LYS A 6 48.486 52.516 28.326 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.517 51.343 30.354 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.603 50.011 30.012 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.555 51.544 30.167 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.481 52.896 30.468 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.664 51.790 32.553 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.726 50.429 32.251 1.00 0.00 H new ATOM 0 HE2 LYS A 6 51.691 52.030 32.263 1.00 0.00 H new ATOM 0 HE3 LYS A 6 50.590 53.319 32.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 51.690 52.407 34.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.021 52.106 34.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 51.088 50.857 34.281 1.00 0.00 H new ATOM 168 N LYS A 11 52.090 55.412 28.757 1.00 0.00 N ATOM 169 CA LYS A 11 51.087 56.343 28.280 1.00 0.00 C ATOM 170 C LYS A 11 49.765 55.609 28.044 1.00 0.00 C ATOM 171 O LYS A 11 49.778 54.471 27.579 1.00 0.00 O ATOM 172 CB LYS A 11 51.609 57.004 27.008 1.00 0.00 C ATOM 173 CG LYS A 11 50.670 58.043 26.404 1.00 0.00 C ATOM 174 CD LYS A 11 51.208 58.686 25.129 1.00 0.00 C ATOM 175 CE LYS A 11 51.223 57.702 23.962 1.00 0.00 C ATOM 176 NZ LYS A 11 51.627 58.348 22.704 1.00 0.00 N ATOM 0 HA LYS A 11 50.895 57.118 29.022 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.565 57.480 27.227 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.801 56.231 26.264 1.00 0.00 H new ATOM 0 HG2 LYS A 11 49.712 57.571 26.186 1.00 0.00 H new ATOM 0 HG3 LYS A 11 50.481 58.822 27.142 1.00 0.00 H new ATOM 0 HD2 LYS A 11 50.594 59.548 24.870 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.218 59.055 25.306 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.908 56.884 24.186 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.232 57.265 23.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.624 57.646 21.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 50.959 59.112 22.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.583 58.743 22.808 1.00 0.00 H new ATOM 190 N THR A 12 48.622 56.240 28.297 1.00 0.00 N ATOM 191 CA THR A 12 47.329 55.676 27.963 1.00 0.00 C ATOM 192 C THR A 12 46.831 56.238 26.630 1.00 0.00 C ATOM 193 O THR A 12 46.726 57.454 26.489 1.00 0.00 O ATOM 194 CB THR A 12 46.314 55.894 29.083 1.00 0.00 C ATOM 195 OG1 THR A 12 46.806 55.331 30.278 1.00 0.00 O ATOM 196 CG2 THR A 12 45.002 55.160 28.820 1.00 0.00 C ATOM 0 H THR A 12 48.572 57.157 28.740 1.00 0.00 H new ATOM 0 HA THR A 12 47.447 54.598 27.852 1.00 0.00 H new ATOM 0 HB THR A 12 46.152 56.970 29.144 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.156 55.472 30.998 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.311 55.344 29.643 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.563 55.521 27.890 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.194 54.090 28.740 1.00 0.00 H new ATOM 204 N ILE A 13 46.513 55.376 25.669 1.00 0.00 N ATOM 205 CA ILE A 13 45.981 55.727 24.367 1.00 0.00 C ATOM 206 C ILE A 13 44.518 55.305 24.216 1.00 0.00 C ATOM 207 O ILE A 13 44.118 54.262 24.730 1.00 0.00 O ATOM 208 CB ILE A 13 46.855 55.198 23.234 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.000 53.679 23.203 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.203 55.911 23.274 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.678 53.131 21.950 1.00 0.00 C ATOM 0 H ILE A 13 46.626 54.369 25.787 1.00 0.00 H new ATOM 0 HA ILE A 13 46.001 56.814 24.296 1.00 0.00 H new ATOM 0 HB ILE A 13 46.347 55.425 22.297 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.571 53.364 24.076 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.010 53.231 23.290 1.00 0.00 H new ATOM 0 HG21 ILE A 13 48.835 55.539 22.468 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.051 56.983 23.151 1.00 0.00 H new ATOM 0 HG23 ILE A 13 48.687 55.720 24.232 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.738 52.045 22.014 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.098 53.411 21.071 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.683 53.546 21.869 1.00 0.00 H new ATOM 223 N THR A 14 43.724 56.104 23.508 1.00 0.00 N ATOM 224 CA THR A 14 42.320 55.854 23.251 1.00 0.00 C ATOM 225 C THR A 14 42.126 55.112 21.927 1.00 0.00 C ATOM 226 O THR A 14 42.676 55.528 20.910 1.00 0.00 O ATOM 227 CB THR A 14 41.509 57.147 23.217 1.00 0.00 C ATOM 228 OG1 THR A 14 41.702 57.900 24.394 1.00 0.00 O ATOM 229 CG2 THR A 14 40.005 56.900 23.140 1.00 0.00 C ATOM 0 H THR A 14 44.057 56.971 23.086 1.00 0.00 H new ATOM 0 HA THR A 14 41.960 55.235 24.073 1.00 0.00 H new ATOM 0 HB THR A 14 41.859 57.671 22.328 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.360 57.398 25.163 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.480 57.855 23.119 1.00 0.00 H new ATOM 0 HG22 THR A 14 39.774 56.339 22.234 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.685 56.329 24.012 1.00 0.00 H new ATOM 237 N LEU A 15 41.313 54.060 21.926 1.00 0.00 N ATOM 238 CA LEU A 15 40.852 53.350 20.750 1.00 0.00 C ATOM 239 C LEU A 15 39.325 53.358 20.655 1.00 0.00 C ATOM 240 O LEU A 15 38.632 53.410 21.668 1.00 0.00 O ATOM 241 CB LEU A 15 41.377 51.918 20.742 1.00 0.00 C ATOM 242 CG LEU A 15 42.893 51.739 20.762 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.219 50.250 20.816 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.573 52.304 19.518 1.00 0.00 C ATOM 0 H LEU A 15 40.943 53.665 22.790 1.00 0.00 H new ATOM 0 HA LEU A 15 41.246 53.870 19.877 1.00 0.00 H new ATOM 0 HB2 LEU A 15 40.963 51.400 21.607 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.988 51.419 19.855 1.00 0.00 H new ATOM 0 HG LEU A 15 43.261 52.278 21.635 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.300 50.115 20.831 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.787 49.815 21.717 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.803 49.754 19.939 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.649 52.148 19.589 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.190 51.797 18.632 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.366 53.371 19.443 1.00 0.00 H new ATOM 256 N GLU A 16 38.804 53.265 19.435 1.00 0.00 N ATOM 257 CA GLU A 16 37.389 53.227 19.129 1.00 0.00 C ATOM 258 C GLU A 16 37.118 52.034 18.211 1.00 0.00 C ATOM 259 O GLU A 16 37.552 52.013 17.062 1.00 0.00 O ATOM 260 CB GLU A 16 36.998 54.584 18.551 1.00 0.00 C ATOM 261 CG GLU A 16 35.573 54.697 18.020 1.00 0.00 C ATOM 262 CD GLU A 16 34.498 54.423 19.073 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.198 55.301 19.911 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.874 53.342 19.005 1.00 0.00 O ATOM 0 H GLU A 16 39.388 53.212 18.600 1.00 0.00 H new ATOM 0 HA GLU A 16 36.765 53.072 20.009 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.138 55.340 19.324 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.687 54.824 17.741 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.425 55.698 17.615 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.446 53.997 17.194 1.00 0.00 H new ATOM 271 N VAL A 17 36.470 51.001 18.744 1.00 0.00 N ATOM 272 CA VAL A 17 36.427 49.657 18.202 1.00 0.00 C ATOM 273 C VAL A 17 35.045 49.015 18.330 1.00 0.00 C ATOM 274 O VAL A 17 34.243 49.430 19.164 1.00 0.00 O ATOM 275 CB VAL A 17 37.468 48.758 18.863 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.892 49.240 18.603 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.273 48.625 20.370 1.00 0.00 C ATOM 0 H VAL A 17 35.936 51.089 19.609 1.00 0.00 H new ATOM 0 HA VAL A 17 36.656 49.755 17.141 1.00 0.00 H new ATOM 0 HB VAL A 17 37.321 47.781 18.404 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.598 48.569 19.093 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.083 49.248 17.530 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.013 50.248 19.000 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.044 47.973 20.781 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.344 49.609 20.834 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.291 48.198 20.574 1.00 0.00 H new ATOM 287 N GLU A 18 34.760 47.971 17.554 1.00 0.00 N ATOM 288 CA GLU A 18 33.536 47.205 17.677 1.00 0.00 C ATOM 289 C GLU A 18 33.744 46.011 18.611 1.00 0.00 C ATOM 290 O GLU A 18 34.777 45.353 18.512 1.00 0.00 O ATOM 291 CB GLU A 18 33.074 46.756 16.294 1.00 0.00 C ATOM 292 CG GLU A 18 31.605 46.350 16.236 1.00 0.00 C ATOM 293 CD GLU A 18 30.668 47.560 16.266 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.582 48.276 15.244 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.020 47.817 17.303 1.00 0.00 O ATOM 0 H GLU A 18 35.382 47.636 16.818 1.00 0.00 H new ATOM 0 HA GLU A 18 32.758 47.831 18.114 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.246 47.565 15.584 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.687 45.914 15.972 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.424 45.775 15.327 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.377 45.696 17.077 1.00 0.00 H new ATOM 302 N PRO A 19 32.798 45.643 19.469 1.00 0.00 N ATOM 303 CA PRO A 19 32.889 44.461 20.303 1.00 0.00 C ATOM 304 C PRO A 19 33.121 43.133 19.581 1.00 0.00 C ATOM 305 O PRO A 19 33.600 42.185 20.200 1.00 0.00 O ATOM 306 CB PRO A 19 31.577 44.417 21.080 1.00 0.00 C ATOM 307 CG PRO A 19 31.158 45.880 21.191 1.00 0.00 C ATOM 308 CD PRO A 19 31.659 46.446 19.865 1.00 0.00 C ATOM 0 HA PRO A 19 33.780 44.555 20.924 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.825 43.826 20.558 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.711 43.966 22.063 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.079 45.990 21.302 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.618 46.374 22.047 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.876 46.406 19.108 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.944 47.492 19.975 1.00 0.00 H new ATOM 316 N SER A 20 32.799 43.037 18.293 1.00 0.00 N ATOM 317 CA SER A 20 33.063 41.887 17.452 1.00 0.00 C ATOM 318 C SER A 20 34.407 41.921 16.721 1.00 0.00 C ATOM 319 O SER A 20 34.691 41.004 15.952 1.00 0.00 O ATOM 320 CB SER A 20 31.909 41.680 16.476 1.00 0.00 C ATOM 321 OG SER A 20 31.633 42.849 15.737 1.00 0.00 O ATOM 0 H SER A 20 32.329 43.792 17.793 1.00 0.00 H new ATOM 0 HA SER A 20 33.139 41.034 18.126 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.152 40.867 15.792 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.017 41.378 17.026 1.00 0.00 H new ATOM 0 HG SER A 20 30.890 42.679 15.121 1.00 0.00 H new ATOM 327 N ASP A 21 35.249 42.928 16.932 1.00 0.00 N ATOM 328 CA ASP A 21 36.599 42.957 16.403 1.00 0.00 C ATOM 329 C ASP A 21 37.501 41.965 17.138 1.00 0.00 C ATOM 330 O ASP A 21 37.350 41.751 18.338 1.00 0.00 O ATOM 331 CB ASP A 21 37.176 44.368 16.487 1.00 0.00 C ATOM 332 CG ASP A 21 36.491 45.411 15.601 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.837 45.055 14.597 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.713 46.614 15.857 1.00 0.00 O ATOM 0 H ASP A 21 35.006 43.753 17.481 1.00 0.00 H new ATOM 0 HA ASP A 21 36.556 42.660 15.355 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.121 44.704 17.523 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.232 44.327 16.221 1.00 0.00 H new ATOM 339 N THR A 22 38.457 41.366 16.433 1.00 0.00 N ATOM 340 CA THR A 22 39.418 40.437 16.992 1.00 0.00 C ATOM 341 C THR A 22 40.613 41.134 17.643 1.00 0.00 C ATOM 342 O THR A 22 40.881 42.305 17.382 1.00 0.00 O ATOM 343 CB THR A 22 39.907 39.384 16.002 1.00 0.00 C ATOM 344 OG1 THR A 22 40.738 39.944 15.009 1.00 0.00 O ATOM 345 CG2 THR A 22 38.788 38.625 15.295 1.00 0.00 C ATOM 0 H THR A 22 38.583 41.521 15.433 1.00 0.00 H new ATOM 0 HA THR A 22 38.858 39.917 17.769 1.00 0.00 H new ATOM 0 HB THR A 22 40.462 38.680 16.621 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.208 40.536 14.435 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.220 37.896 14.609 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.175 38.109 16.034 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.169 39.327 14.736 1.00 0.00 H new ATOM 353 N ILE A 23 41.391 40.410 18.443 1.00 0.00 N ATOM 354 CA ILE A 23 42.630 40.925 18.989 1.00 0.00 C ATOM 355 C ILE A 23 43.629 41.251 17.877 1.00 0.00 C ATOM 356 O ILE A 23 44.320 42.263 17.974 1.00 0.00 O ATOM 357 CB ILE A 23 43.190 39.985 20.053 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.199 39.673 21.170 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.491 40.514 20.649 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.561 40.866 21.877 1.00 0.00 C ATOM 0 H ILE A 23 41.176 39.454 18.726 1.00 0.00 H new ATOM 0 HA ILE A 23 42.425 41.869 19.495 1.00 0.00 H new ATOM 0 HB ILE A 23 43.392 39.051 19.529 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.401 39.058 20.754 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.710 39.068 21.919 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.857 39.816 21.402 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.236 40.620 19.860 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.311 41.485 21.111 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.878 40.509 22.648 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.339 41.476 22.336 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.009 41.466 21.153 1.00 0.00 H new ATOM 372 N GLU A 24 43.661 40.506 16.776 1.00 0.00 N ATOM 373 CA GLU A 24 44.444 40.864 15.610 1.00 0.00 C ATOM 374 C GLU A 24 44.036 42.205 14.997 1.00 0.00 C ATOM 375 O GLU A 24 44.919 42.978 14.632 1.00 0.00 O ATOM 376 CB GLU A 24 44.369 39.783 14.535 1.00 0.00 C ATOM 377 CG GLU A 24 45.191 38.554 14.914 1.00 0.00 C ATOM 378 CD GLU A 24 45.279 37.555 13.759 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.229 37.067 13.287 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.403 37.278 13.289 1.00 0.00 O ATOM 0 H GLU A 24 43.141 39.635 16.673 1.00 0.00 H new ATOM 0 HA GLU A 24 45.469 40.958 15.970 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.329 39.493 14.382 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.730 40.185 13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.195 38.863 15.205 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.743 38.069 15.781 1.00 0.00 H new ATOM 387 N ASN A 25 42.744 42.516 14.947 1.00 0.00 N ATOM 388 CA ASN A 25 42.256 43.796 14.475 1.00 0.00 C ATOM 389 C ASN A 25 42.721 44.956 15.359 1.00 0.00 C ATOM 390 O ASN A 25 43.005 46.038 14.850 1.00 0.00 O ATOM 391 CB ASN A 25 40.733 43.793 14.374 1.00 0.00 C ATOM 392 CG ASN A 25 40.144 42.796 13.374 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.391 41.890 13.725 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.440 42.951 12.086 1.00 0.00 N ATOM 0 H ASN A 25 42.004 41.877 15.237 1.00 0.00 H new ATOM 0 HA ASN A 25 42.680 43.947 13.482 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.321 43.579 15.360 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.402 44.795 14.100 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.042 42.319 11.392 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.065 43.702 11.793 1.00 0.00 H new ATOM 401 N VAL A 26 42.846 44.742 16.665 1.00 0.00 N ATOM 402 CA VAL A 26 43.368 45.731 17.586 1.00 0.00 C ATOM 403 C VAL A 26 44.885 45.872 17.450 1.00 0.00 C ATOM 404 O VAL A 26 45.387 46.988 17.328 1.00 0.00 O ATOM 405 CB VAL A 26 42.952 45.412 19.019 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.552 46.379 20.035 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.435 45.466 19.175 1.00 0.00 C ATOM 0 H VAL A 26 42.583 43.864 17.113 1.00 0.00 H new ATOM 0 HA VAL A 26 42.935 46.697 17.327 1.00 0.00 H new ATOM 0 HB VAL A 26 43.327 44.408 19.214 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.223 46.105 21.037 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.640 46.331 19.985 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.223 47.394 19.810 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.167 45.235 20.206 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.079 46.465 18.923 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.974 44.737 18.508 1.00 0.00 H new ATOM 417 N LYS A 27 45.620 44.766 17.389 1.00 0.00 N ATOM 418 CA LYS A 27 47.061 44.755 17.229 1.00 0.00 C ATOM 419 C LYS A 27 47.519 45.481 15.963 1.00 0.00 C ATOM 420 O LYS A 27 48.472 46.255 16.019 1.00 0.00 O ATOM 421 CB LYS A 27 47.569 43.317 17.212 1.00 0.00 C ATOM 422 CG LYS A 27 47.571 42.629 18.575 1.00 0.00 C ATOM 423 CD LYS A 27 47.951 41.163 18.394 1.00 0.00 C ATOM 424 CE LYS A 27 48.409 40.528 19.703 1.00 0.00 C ATOM 425 NZ LYS A 27 49.163 39.293 19.436 1.00 0.00 N ATOM 0 H LYS A 27 45.215 43.832 17.452 1.00 0.00 H new ATOM 0 HA LYS A 27 47.482 45.292 18.079 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.952 42.735 16.527 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.583 43.308 16.813 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.278 43.121 19.243 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.587 42.708 19.037 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.096 40.612 18.003 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.747 41.083 17.654 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.032 41.230 20.257 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.545 40.306 20.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.583 38.945 20.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.522 38.571 19.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.918 39.489 18.748 1.00 0.00 H new ATOM 439 N ALA A 28 46.827 45.277 14.845 1.00 0.00 N ATOM 440 CA ALA A 28 47.117 45.931 13.585 1.00 0.00 C ATOM 441 C ALA A 28 47.003 47.456 13.647 1.00 0.00 C ATOM 442 O ALA A 28 47.733 48.158 12.952 1.00 0.00 O ATOM 443 CB ALA A 28 46.166 45.360 12.538 1.00 0.00 C ATOM 0 H ALA A 28 46.034 44.638 14.795 1.00 0.00 H new ATOM 0 HA ALA A 28 48.157 45.733 13.326 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.359 45.833 11.575 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.323 44.285 12.452 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.136 45.554 12.838 1.00 0.00 H new ATOM 449 N LYS A 29 46.125 47.982 14.497 1.00 0.00 N ATOM 450 CA LYS A 29 45.894 49.401 14.674 1.00 0.00 C ATOM 451 C LYS A 29 46.906 50.032 15.632 1.00 0.00 C ATOM 452 O LYS A 29 47.320 51.168 15.412 1.00 0.00 O ATOM 453 CB LYS A 29 44.452 49.621 15.122 1.00 0.00 C ATOM 454 CG LYS A 29 43.470 49.183 14.040 1.00 0.00 C ATOM 455 CD LYS A 29 42.029 49.078 14.533 1.00 0.00 C ATOM 456 CE LYS A 29 41.226 48.414 13.419 1.00 0.00 C ATOM 457 NZ LYS A 29 39.807 48.248 13.769 1.00 0.00 N ATOM 0 H LYS A 29 45.537 47.406 15.100 1.00 0.00 H new ATOM 0 HA LYS A 29 46.042 49.907 13.720 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.263 49.061 16.038 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.296 50.675 15.354 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.512 49.892 13.213 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.783 48.216 13.647 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.976 48.490 15.450 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.627 50.065 14.763 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.305 49.013 12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.658 47.439 13.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.306 47.793 12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.726 47.654 14.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.384 49.180 13.956 1.00 0.00 H new ATOM 471 N ILE A 30 47.360 49.285 16.635 1.00 0.00 N ATOM 472 CA ILE A 30 48.446 49.653 17.520 1.00 0.00 C ATOM 473 C ILE A 30 49.772 49.709 16.758 1.00 0.00 C ATOM 474 O ILE A 30 50.541 50.653 16.932 1.00 0.00 O ATOM 475 CB ILE A 30 48.491 48.704 18.714 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.270 48.913 19.605 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.770 48.855 19.531 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.102 47.889 20.724 1.00 0.00 C ATOM 0 H ILE A 30 46.962 48.373 16.857 1.00 0.00 H new ATOM 0 HA ILE A 30 48.271 50.656 17.910 1.00 0.00 H new ATOM 0 HB ILE A 30 48.480 47.690 18.315 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.329 49.907 20.049 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.377 48.896 18.981 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.751 48.157 20.368 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.632 48.641 18.900 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.842 49.875 19.910 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.207 48.123 21.300 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.006 46.892 20.294 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.973 47.919 21.378 1.00 0.00 H new ATOM 490 N GLN A 31 50.029 48.755 15.868 1.00 0.00 N ATOM 491 CA GLN A 31 51.220 48.682 15.046 1.00 0.00 C ATOM 492 C GLN A 31 51.471 49.968 14.255 1.00 0.00 C ATOM 493 O GLN A 31 52.609 50.423 14.159 1.00 0.00 O ATOM 494 CB GLN A 31 51.079 47.478 14.120 1.00 0.00 C ATOM 495 CG GLN A 31 52.286 47.254 13.214 1.00 0.00 C ATOM 496 CD GLN A 31 52.160 45.996 12.351 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.087 45.427 12.159 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.268 45.508 11.802 1.00 0.00 N ATOM 0 H GLN A 31 49.384 47.984 15.697 1.00 0.00 H new ATOM 0 HA GLN A 31 52.090 48.564 15.692 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.918 46.584 14.723 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.191 47.609 13.501 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.413 48.121 12.566 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.184 47.179 13.827 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.162 45.974 11.957 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.224 44.667 11.226 1.00 0.00 H new ATOM 507 N ASP A 32 50.415 50.589 13.737 1.00 0.00 N ATOM 508 CA ASP A 32 50.496 51.764 12.894 1.00 0.00 C ATOM 509 C ASP A 32 50.925 53.054 13.595 1.00 0.00 C ATOM 510 O ASP A 32 51.258 54.029 12.926 1.00 0.00 O ATOM 511 CB ASP A 32 49.160 51.919 12.174 1.00 0.00 C ATOM 512 CG ASP A 32 49.276 52.877 10.987 1.00 0.00 C ATOM 513 OD1 ASP A 32 49.927 52.517 9.983 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.686 53.977 11.058 1.00 0.00 O ATOM 0 H ASP A 32 49.458 50.276 13.900 1.00 0.00 H new ATOM 0 HA ASP A 32 51.308 51.597 12.186 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.817 50.945 11.826 1.00 0.00 H new ATOM 0 HB3 ASP A 32 48.409 52.290 12.872 1.00 0.00 H new ATOM 519 N LYS A 33 50.965 53.065 14.924 1.00 0.00 N ATOM 520 CA LYS A 33 51.434 54.179 15.723 1.00 0.00 C ATOM 521 C LYS A 33 52.546 53.855 16.721 1.00 0.00 C ATOM 522 O LYS A 33 53.410 54.699 16.945 1.00 0.00 O ATOM 523 CB LYS A 33 50.249 54.920 16.337 1.00 0.00 C ATOM 524 CG LYS A 33 49.439 54.129 17.359 1.00 0.00 C ATOM 525 CD LYS A 33 48.204 54.885 17.843 1.00 0.00 C ATOM 526 CE LYS A 33 47.155 55.001 16.741 1.00 0.00 C ATOM 527 NZ LYS A 33 45.984 55.782 17.170 1.00 0.00 N ATOM 0 H LYS A 33 50.661 52.271 15.487 1.00 0.00 H new ATOM 0 HA LYS A 33 51.943 54.855 15.036 1.00 0.00 H new ATOM 0 HB2 LYS A 33 50.618 55.827 16.815 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.582 55.232 15.533 1.00 0.00 H new ATOM 0 HG2 LYS A 33 49.130 53.181 16.917 1.00 0.00 H new ATOM 0 HG3 LYS A 33 50.073 53.891 18.213 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.775 54.371 18.703 1.00 0.00 H new ATOM 0 HD3 LYS A 33 48.493 55.881 18.178 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.601 55.470 15.864 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.834 54.004 16.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.298 55.835 16.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.541 55.321 17.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.284 56.742 17.433 1.00 0.00 H new ATOM 541 N GLU A 34 52.607 52.638 17.255 1.00 0.00 N ATOM 542 CA GLU A 34 53.641 52.215 18.178 1.00 0.00 C ATOM 543 C GLU A 34 54.793 51.458 17.514 1.00 0.00 C ATOM 544 O GLU A 34 55.848 51.299 18.122 1.00 0.00 O ATOM 545 CB GLU A 34 53.031 51.393 19.310 1.00 0.00 C ATOM 546 CG GLU A 34 51.926 52.085 20.102 1.00 0.00 C ATOM 547 CD GLU A 34 52.367 53.423 20.699 1.00 0.00 C ATOM 548 OE1 GLU A 34 51.901 54.489 20.241 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.228 53.416 21.604 1.00 0.00 O ATOM 0 H GLU A 34 51.923 51.909 17.051 1.00 0.00 H new ATOM 0 HA GLU A 34 54.083 53.125 18.582 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.630 50.470 18.890 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.826 51.110 20.000 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.068 52.249 19.450 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.595 51.426 20.905 1.00 0.00 H new ATOM 556 N GLY A 35 54.630 50.989 16.279 1.00 0.00 N ATOM 557 CA GLY A 35 55.686 50.356 15.515 1.00 0.00 C ATOM 558 C GLY A 35 56.014 48.914 15.908 1.00 0.00 C ATOM 559 O GLY A 35 57.103 48.432 15.604 1.00 0.00 O ATOM 0 H GLY A 35 53.743 51.042 15.779 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.407 50.372 14.461 1.00 0.00 H new ATOM 0 HA3 GLY A 35 56.591 50.955 15.614 1.00 0.00 H new ATOM 563 N ILE A 36 55.105 48.221 16.588 1.00 0.00 N ATOM 564 CA ILE A 36 55.303 46.896 17.138 1.00 0.00 C ATOM 565 C ILE A 36 54.589 45.859 16.269 1.00 0.00 C ATOM 566 O ILE A 36 53.364 45.922 16.194 1.00 0.00 O ATOM 567 CB ILE A 36 54.813 46.826 18.582 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.327 47.946 19.482 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.220 45.483 19.182 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.511 48.115 20.760 1.00 0.00 C ATOM 0 H ILE A 36 54.172 48.589 16.775 1.00 0.00 H new ATOM 0 HA ILE A 36 56.370 46.675 17.140 1.00 0.00 H new ATOM 0 HB ILE A 36 53.730 46.943 18.539 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.365 47.743 19.746 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.317 48.883 18.926 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.873 45.425 20.214 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.772 44.675 18.603 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.306 45.388 19.158 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.930 48.927 21.354 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.478 48.348 20.504 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.542 47.190 21.336 1.00 0.00 H new ATOM 582 N PRO A 37 55.270 44.890 15.664 1.00 0.00 N ATOM 583 CA PRO A 37 54.630 43.834 14.906 1.00 0.00 C ATOM 584 C PRO A 37 53.659 42.995 15.741 1.00 0.00 C ATOM 585 O PRO A 37 53.913 42.777 16.923 1.00 0.00 O ATOM 586 CB PRO A 37 55.753 42.991 14.309 1.00 0.00 C ATOM 587 CG PRO A 37 56.932 43.957 14.257 1.00 0.00 C ATOM 588 CD PRO A 37 56.708 44.804 15.506 1.00 0.00 C ATOM 0 HA PRO A 37 54.003 44.263 14.124 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.974 42.121 14.927 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.493 42.620 13.317 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.888 43.435 14.285 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.925 44.560 13.349 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.172 44.345 16.379 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.150 45.794 15.393 1.00 0.00 H new ATOM 596 N PRO A 38 52.557 42.507 15.179 1.00 0.00 N ATOM 597 CA PRO A 38 51.441 41.993 15.947 1.00 0.00 C ATOM 598 C PRO A 38 51.756 40.698 16.699 1.00 0.00 C ATOM 599 O PRO A 38 51.171 40.448 17.750 1.00 0.00 O ATOM 600 CB PRO A 38 50.300 41.814 14.950 1.00 0.00 C ATOM 601 CG PRO A 38 51.019 41.584 13.624 1.00 0.00 C ATOM 602 CD PRO A 38 52.248 42.476 13.762 1.00 0.00 C ATOM 0 HA PRO A 38 51.179 42.692 16.741 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.665 40.968 15.214 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.659 42.695 14.911 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.290 40.537 13.484 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.402 41.870 12.772 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.085 42.079 13.188 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.048 43.478 13.383 1.00 0.00 H new ATOM 610 N ASP A 39 52.714 39.900 16.235 1.00 0.00 N ATOM 611 CA ASP A 39 53.154 38.707 16.929 1.00 0.00 C ATOM 612 C ASP A 39 54.031 39.015 18.145 1.00 0.00 C ATOM 613 O ASP A 39 54.080 38.216 19.077 1.00 0.00 O ATOM 614 CB ASP A 39 53.819 37.752 15.942 1.00 0.00 C ATOM 615 CG ASP A 39 55.210 38.184 15.473 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.351 39.302 14.931 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.156 37.380 15.628 1.00 0.00 O ATOM 0 H ASP A 39 53.207 40.070 15.358 1.00 0.00 H new ATOM 0 HA ASP A 39 52.276 38.210 17.342 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.896 36.768 16.405 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.174 37.645 15.070 1.00 0.00 H new ATOM 622 N GLN A 40 54.669 40.182 18.188 1.00 0.00 N ATOM 623 CA GLN A 40 55.437 40.650 19.324 1.00 0.00 C ATOM 624 C GLN A 40 54.559 41.280 20.407 1.00 0.00 C ATOM 625 O GLN A 40 54.933 41.276 21.577 1.00 0.00 O ATOM 626 CB GLN A 40 56.504 41.652 18.891 1.00 0.00 C ATOM 627 CG GLN A 40 57.392 41.166 17.749 1.00 0.00 C ATOM 628 CD GLN A 40 58.576 42.087 17.446 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.989 42.941 18.227 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.208 41.896 16.291 1.00 0.00 N ATOM 0 H GLN A 40 54.662 40.841 17.410 1.00 0.00 H new ATOM 0 HA GLN A 40 55.916 39.768 19.750 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.015 42.578 18.587 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.133 41.890 19.749 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.770 40.173 17.994 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.785 41.063 16.849 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.872 41.189 15.637 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.028 42.456 16.060 1.00 0.00 H new ATOM 639 N GLN A 41 53.400 41.815 20.034 1.00 0.00 N ATOM 640 CA GLN A 41 52.448 42.398 20.959 1.00 0.00 C ATOM 641 C GLN A 41 51.792 41.327 21.833 1.00 0.00 C ATOM 642 O GLN A 41 51.330 40.306 21.330 1.00 0.00 O ATOM 643 CB GLN A 41 51.372 43.180 20.212 1.00 0.00 C ATOM 644 CG GLN A 41 51.870 44.409 19.454 1.00 0.00 C ATOM 645 CD GLN A 41 50.722 45.167 18.786 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.644 45.344 19.349 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.879 45.634 17.550 1.00 0.00 N ATOM 0 H GLN A 41 53.096 41.854 19.061 1.00 0.00 H new ATOM 0 HA GLN A 41 53.001 43.081 21.604 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.883 42.510 19.505 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.613 43.497 20.927 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.393 45.073 20.142 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.592 44.102 18.697 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.765 45.499 17.063 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.114 46.127 17.090 1.00 0.00 H new ATOM 656 N ARG A 42 51.683 41.597 23.132 1.00 0.00 N ATOM 657 CA ARG A 42 50.895 40.850 24.091 1.00 0.00 C ATOM 658 C ARG A 42 49.937 41.811 24.798 1.00 0.00 C ATOM 659 O ARG A 42 50.384 42.755 25.447 1.00 0.00 O ATOM 660 CB ARG A 42 51.813 40.149 25.090 1.00 0.00 C ATOM 661 CG ARG A 42 52.753 39.122 24.464 1.00 0.00 C ATOM 662 CD ARG A 42 53.558 38.289 25.456 1.00 0.00 C ATOM 663 NE ARG A 42 54.255 39.100 26.455 1.00 0.00 N ATOM 664 CZ ARG A 42 53.889 39.340 27.721 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.765 38.857 28.267 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.684 40.127 28.460 1.00 0.00 N ATOM 0 H ARG A 42 52.170 42.385 23.559 1.00 0.00 H new ATOM 0 HA ARG A 42 50.313 40.082 23.582 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.408 40.901 25.609 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.200 39.653 25.843 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.166 38.448 23.841 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.447 39.643 23.804 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.890 37.594 25.964 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.287 37.690 24.910 1.00 0.00 H new ATOM 0 HE ARG A 42 55.126 39.536 26.150 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.138 38.274 27.712 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.536 39.072 29.237 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.533 40.519 28.054 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.439 40.333 29.429 1.00 0.00 H new ATOM 680 N LEU A 43 48.632 41.610 24.645 1.00 0.00 N ATOM 681 CA LEU A 43 47.592 42.477 25.159 1.00 0.00 C ATOM 682 C LEU A 43 46.863 41.802 26.323 1.00 0.00 C ATOM 683 O LEU A 43 46.414 40.666 26.187 1.00 0.00 O ATOM 684 CB LEU A 43 46.676 42.842 23.995 1.00 0.00 C ATOM 685 CG LEU A 43 45.616 43.899 24.298 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.218 45.276 24.559 1.00 0.00 C ATOM 687 CD2 LEU A 43 44.678 44.030 23.103 1.00 0.00 C ATOM 0 H LEU A 43 48.262 40.806 24.139 1.00 0.00 H new ATOM 0 HA LEU A 43 48.005 43.398 25.570 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.292 43.197 23.168 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.174 41.937 23.653 1.00 0.00 H new ATOM 0 HG LEU A 43 45.092 43.571 25.196 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.420 45.988 24.769 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.891 45.223 25.415 1.00 0.00 H new ATOM 0 HD13 LEU A 43 46.774 45.603 23.680 1.00 0.00 H new ATOM 0 HD21 LEU A 43 43.920 44.784 23.316 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.249 44.328 22.223 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.194 43.072 22.914 1.00 0.00 H new ATOM 699 N ILE A 44 46.775 42.475 27.466 1.00 0.00 N ATOM 700 CA ILE A 44 46.325 41.935 28.734 1.00 0.00 C ATOM 701 C ILE A 44 45.034 42.609 29.205 1.00 0.00 C ATOM 702 O ILE A 44 44.918 43.831 29.133 1.00 0.00 O ATOM 703 CB ILE A 44 47.419 42.054 29.790 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.829 41.687 29.336 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.068 41.265 31.048 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.038 40.270 28.808 1.00 0.00 C ATOM 0 H ILE A 44 47.030 43.461 27.531 1.00 0.00 H new ATOM 0 HA ILE A 44 46.106 40.878 28.585 1.00 0.00 H new ATOM 0 HB ILE A 44 47.449 43.123 30.002 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.127 42.387 28.556 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.506 41.839 30.176 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.869 41.372 31.780 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.138 41.647 31.470 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.946 40.212 30.795 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.081 40.139 28.520 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.784 39.551 29.586 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.399 40.107 27.940 1.00 0.00 H new ATOM 718 N PHE A 45 44.096 41.831 29.737 1.00 0.00 N ATOM 719 CA PHE A 45 42.939 42.308 30.468 1.00 0.00 C ATOM 720 C PHE A 45 42.556 41.341 31.589 1.00 0.00 C ATOM 721 O PHE A 45 42.568 40.126 31.397 1.00 0.00 O ATOM 722 CB PHE A 45 41.778 42.535 29.504 1.00 0.00 C ATOM 723 CG PHE A 45 40.619 43.325 30.065 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.737 44.703 30.280 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.404 42.688 30.348 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.653 45.435 30.780 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.320 43.415 30.851 1.00 0.00 C ATOM 728 CZ PHE A 45 38.441 44.793 31.066 1.00 0.00 C ATOM 0 H PHE A 45 44.127 40.814 29.665 1.00 0.00 H new ATOM 0 HA PHE A 45 43.188 43.259 30.939 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.156 43.052 28.622 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.408 41.565 29.171 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.668 45.204 30.059 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.303 41.626 30.176 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.752 46.498 30.946 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.390 42.913 31.073 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.605 45.358 31.450 1.00 0.00 H new ATOM 738 N ALA A 46 42.240 41.860 32.772 1.00 0.00 N ATOM 739 CA ALA A 46 42.059 41.112 34.000 1.00 0.00 C ATOM 740 C ALA A 46 43.187 40.121 34.295 1.00 0.00 C ATOM 741 O ALA A 46 42.961 38.998 34.738 1.00 0.00 O ATOM 742 CB ALA A 46 40.656 40.513 34.035 1.00 0.00 C ATOM 0 H ALA A 46 42.098 42.862 32.900 1.00 0.00 H new ATOM 0 HA ALA A 46 42.135 41.806 34.837 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.523 39.951 34.960 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.917 41.313 33.987 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.524 39.846 33.183 1.00 0.00 H new ATOM 748 N GLY A 47 44.423 40.503 33.982 1.00 0.00 N ATOM 749 CA GLY A 47 45.626 39.707 34.119 1.00 0.00 C ATOM 750 C GLY A 47 45.824 38.591 33.092 1.00 0.00 C ATOM 751 O GLY A 47 46.914 38.025 33.031 1.00 0.00 O ATOM 0 H GLY A 47 44.616 41.431 33.605 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.486 40.375 34.067 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.629 39.261 35.113 1.00 0.00 H new ATOM 755 N LYS A 48 44.829 38.285 32.264 1.00 0.00 N ATOM 756 CA LYS A 48 44.881 37.270 31.232 1.00 0.00 C ATOM 757 C LYS A 48 45.351 37.868 29.904 1.00 0.00 C ATOM 758 O LYS A 48 44.921 38.957 29.532 1.00 0.00 O ATOM 759 CB LYS A 48 43.513 36.621 31.045 1.00 0.00 C ATOM 760 CG LYS A 48 42.970 35.867 32.257 1.00 0.00 C ATOM 761 CD LYS A 48 43.804 34.647 32.636 1.00 0.00 C ATOM 762 CE LYS A 48 43.118 33.769 33.679 1.00 0.00 C ATOM 763 NZ LYS A 48 42.907 34.478 34.951 1.00 0.00 N ATOM 0 H LYS A 48 43.928 38.762 32.301 1.00 0.00 H new ATOM 0 HA LYS A 48 45.595 36.510 31.549 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.797 37.396 30.771 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.571 35.929 30.205 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.926 36.546 33.108 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.948 35.549 32.050 1.00 0.00 H new ATOM 0 HD2 LYS A 48 44.003 34.055 31.742 1.00 0.00 H new ATOM 0 HD3 LYS A 48 44.769 34.976 33.021 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.158 33.430 33.291 1.00 0.00 H new ATOM 0 HE3 LYS A 48 43.722 32.879 33.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 42.470 33.833 35.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.821 34.810 35.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 42.281 35.293 34.794 1.00 0.00 H new ATOM 777 N GLN A 49 46.184 37.135 29.172 1.00 0.00 N ATOM 778 CA GLN A 49 46.575 37.521 27.830 1.00 0.00 C ATOM 779 C GLN A 49 45.480 37.187 26.815 1.00 0.00 C ATOM 780 O GLN A 49 45.011 36.054 26.736 1.00 0.00 O ATOM 781 CB GLN A 49 47.931 36.916 27.479 1.00 0.00 C ATOM 782 CG GLN A 49 48.458 37.439 26.146 1.00 0.00 C ATOM 783 CD GLN A 49 49.900 36.991 25.899 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.776 37.165 26.744 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.199 36.396 24.748 1.00 0.00 N ATOM 0 H GLN A 49 46.602 36.262 29.494 1.00 0.00 H new ATOM 0 HA GLN A 49 46.694 38.604 27.791 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.647 37.146 28.268 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.844 35.830 27.434 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.821 37.082 25.336 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.407 38.528 26.135 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.474 36.251 24.046 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.154 36.085 24.568 1.00 0.00 H new ATOM 794 N LEU A 50 45.092 38.179 26.020 1.00 0.00 N ATOM 795 CA LEU A 50 44.046 38.085 25.021 1.00 0.00 C ATOM 796 C LEU A 50 44.581 37.466 23.728 1.00 0.00 C ATOM 797 O LEU A 50 45.728 37.691 23.347 1.00 0.00 O ATOM 798 CB LEU A 50 43.420 39.458 24.795 1.00 0.00 C ATOM 799 CG LEU A 50 42.948 40.204 26.040 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.244 41.490 25.613 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.989 39.374 26.888 1.00 0.00 C ATOM 0 H LEU A 50 45.518 39.105 26.060 1.00 0.00 H new ATOM 0 HA LEU A 50 43.261 37.420 25.382 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.147 40.084 24.278 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.568 39.339 24.125 1.00 0.00 H new ATOM 0 HG LEU A 50 43.827 40.419 26.648 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.904 42.029 26.497 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.938 42.115 25.051 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.387 41.245 24.985 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.683 39.950 27.761 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.110 39.117 26.297 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.488 38.461 27.213 1.00 0.00 H new ATOM 813 N GLU A 51 43.752 36.659 23.074 1.00 0.00 N ATOM 814 CA GLU A 51 44.164 35.705 22.064 1.00 0.00 C ATOM 815 C GLU A 51 43.774 36.173 20.661 1.00 0.00 C ATOM 816 O GLU A 51 42.647 36.608 20.435 1.00 0.00 O ATOM 817 CB GLU A 51 43.566 34.333 22.360 1.00 0.00 C ATOM 818 CG GLU A 51 43.970 33.764 23.717 1.00 0.00 C ATOM 819 CD GLU A 51 42.881 32.849 24.282 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.043 33.341 25.069 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.855 31.643 23.958 1.00 0.00 O ATOM 0 H GLU A 51 42.746 36.655 23.241 1.00 0.00 H new ATOM 0 HA GLU A 51 45.251 35.629 22.095 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.479 34.404 22.315 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.873 33.637 21.579 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.901 33.206 23.617 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.160 34.580 24.414 1.00 0.00 H new ATOM 828 N ASP A 52 44.705 36.043 19.721 1.00 0.00 N ATOM 829 CA ASP A 52 44.703 36.681 18.420 1.00 0.00 C ATOM 830 C ASP A 52 43.363 36.642 17.682 1.00 0.00 C ATOM 831 O ASP A 52 42.835 37.690 17.318 1.00 0.00 O ATOM 832 CB ASP A 52 45.815 36.045 17.590 1.00 0.00 C ATOM 833 CG ASP A 52 47.212 36.436 18.080 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.630 37.597 17.883 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.908 35.568 18.648 1.00 0.00 O ATOM 0 H ASP A 52 45.526 35.454 19.861 1.00 0.00 H new ATOM 0 HA ASP A 52 44.879 37.746 18.575 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.713 34.960 17.623 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.702 36.344 16.548 1.00 0.00 H new ATOM 840 N GLY A 53 42.786 35.461 17.474 1.00 0.00 N ATOM 841 CA GLY A 53 41.567 35.279 16.712 1.00 0.00 C ATOM 842 C GLY A 53 40.253 35.488 17.467 1.00 0.00 C ATOM 843 O GLY A 53 39.198 35.427 16.839 1.00 0.00 O ATOM 0 H GLY A 53 43.166 34.589 17.841 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.588 35.966 15.866 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.568 34.269 16.302 1.00 0.00 H new ATOM 847 N ARG A 54 40.284 35.705 18.778 1.00 0.00 N ATOM 848 CA ARG A 54 39.116 35.889 19.615 1.00 0.00 C ATOM 849 C ARG A 54 38.701 37.361 19.665 1.00 0.00 C ATOM 850 O ARG A 54 39.506 38.240 19.365 1.00 0.00 O ATOM 851 CB ARG A 54 39.346 35.294 21.001 1.00 0.00 C ATOM 852 CG ARG A 54 39.610 33.791 20.955 1.00 0.00 C ATOM 853 CD ARG A 54 39.737 33.145 22.331 1.00 0.00 C ATOM 854 NE ARG A 54 38.466 33.132 23.055 1.00 0.00 N ATOM 855 CZ ARG A 54 38.276 33.113 24.381 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.280 33.099 25.269 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.017 33.111 24.842 1.00 0.00 N ATOM 0 H ARG A 54 41.158 35.759 19.301 1.00 0.00 H new ATOM 0 HA ARG A 54 38.280 35.347 19.172 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.192 35.794 21.472 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.474 35.488 21.625 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.800 33.306 20.410 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.526 33.610 20.393 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.100 32.123 22.219 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.481 33.685 22.917 1.00 0.00 H new ATOM 0 HE ARG A 54 37.623 33.138 22.481 1.00 0.00 H new ATOM 0 HH11 ARG A 54 40.247 33.103 24.945 1.00 0.00 H new ATOM 0 HH12 ARG A 54 39.077 33.085 26.268 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.234 33.124 24.188 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.842 33.097 25.847 1.00 0.00 H new ATOM 871 N THR A 55 37.447 37.648 20.002 1.00 0.00 N ATOM 872 CA THR A 55 36.886 38.983 19.954 1.00 0.00 C ATOM 873 C THR A 55 36.759 39.652 21.325 1.00 0.00 C ATOM 874 O THR A 55 36.671 38.982 22.351 1.00 0.00 O ATOM 875 CB THR A 55 35.548 39.047 19.226 1.00 0.00 C ATOM 876 OG1 THR A 55 34.529 38.409 19.963 1.00 0.00 O ATOM 877 CG2 THR A 55 35.579 38.426 17.832 1.00 0.00 C ATOM 0 H THR A 55 36.784 36.941 20.321 1.00 0.00 H new ATOM 0 HA THR A 55 37.618 39.548 19.378 1.00 0.00 H new ATOM 0 HB THR A 55 35.341 40.112 19.123 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.680 37.441 19.959 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.593 38.508 17.375 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.309 38.951 17.216 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.857 37.375 17.908 1.00 0.00 H new ATOM 885 N LEU A 56 36.703 40.980 21.351 1.00 0.00 N ATOM 886 CA LEU A 56 36.592 41.759 22.568 1.00 0.00 C ATOM 887 C LEU A 56 35.372 41.385 23.412 1.00 0.00 C ATOM 888 O LEU A 56 35.472 41.283 24.632 1.00 0.00 O ATOM 889 CB LEU A 56 36.596 43.241 22.201 1.00 0.00 C ATOM 890 CG LEU A 56 37.872 43.743 21.530 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.685 45.189 21.082 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.077 43.701 22.464 1.00 0.00 C ATOM 0 H LEU A 56 36.735 41.551 20.507 1.00 0.00 H new ATOM 0 HA LEU A 56 37.451 41.533 23.200 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.755 43.436 21.536 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.428 43.823 23.107 1.00 0.00 H new ATOM 0 HG LEU A 56 38.060 43.083 20.684 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.598 45.543 20.604 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.859 45.246 20.373 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.464 45.813 21.948 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.958 44.068 21.938 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.885 44.330 23.334 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.250 42.675 22.789 1.00 0.00 H new ATOM 904 N SER A 57 34.239 41.099 22.778 1.00 0.00 N ATOM 905 CA SER A 57 33.039 40.629 23.441 1.00 0.00 C ATOM 906 C SER A 57 33.119 39.192 23.962 1.00 0.00 C ATOM 907 O SER A 57 32.409 38.874 24.913 1.00 0.00 O ATOM 908 CB SER A 57 31.801 40.811 22.567 1.00 0.00 C ATOM 909 OG SER A 57 31.967 40.266 21.277 1.00 0.00 O ATOM 0 H SER A 57 34.133 41.191 21.768 1.00 0.00 H new ATOM 0 HA SER A 57 32.951 41.263 24.323 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.946 40.338 23.050 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.572 41.873 22.483 1.00 0.00 H new ATOM 0 HG SER A 57 32.464 40.898 20.716 1.00 0.00 H new ATOM 915 N ASP A 58 34.005 38.335 23.461 1.00 0.00 N ATOM 916 CA ASP A 58 34.254 37.041 24.064 1.00 0.00 C ATOM 917 C ASP A 58 34.863 37.169 25.462 1.00 0.00 C ATOM 918 O ASP A 58 34.602 36.332 26.324 1.00 0.00 O ATOM 919 CB ASP A 58 35.144 36.163 23.190 1.00 0.00 C ATOM 920 CG ASP A 58 34.528 35.828 21.830 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.208 36.012 20.798 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.375 35.347 21.795 1.00 0.00 O ATOM 0 H ASP A 58 34.565 38.522 22.629 1.00 0.00 H new ATOM 0 HA ASP A 58 33.281 36.559 24.155 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.097 36.668 23.033 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.359 35.235 23.721 1.00 0.00 H new ATOM 927 N TYR A 59 35.609 38.243 25.709 1.00 0.00 N ATOM 928 CA TYR A 59 36.170 38.605 26.994 1.00 0.00 C ATOM 929 C TYR A 59 35.280 39.537 27.818 1.00 0.00 C ATOM 930 O TYR A 59 35.711 40.016 28.864 1.00 0.00 O ATOM 931 CB TYR A 59 37.558 39.198 26.770 1.00 0.00 C ATOM 932 CG TYR A 59 38.521 38.269 26.071 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.052 37.180 26.773 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.889 38.499 24.740 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.963 36.316 26.153 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.796 37.642 24.107 1.00 0.00 C ATOM 937 CZ TYR A 59 40.338 36.551 24.815 1.00 0.00 C ATOM 938 OH TYR A 59 41.239 35.732 24.202 1.00 0.00 O ATOM 0 H TYR A 59 35.846 38.913 24.977 1.00 0.00 H new ATOM 0 HA TYR A 59 36.242 37.698 27.595 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.461 40.111 26.183 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.980 39.482 27.734 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.758 37.006 27.797 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.473 39.338 24.202 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.374 35.477 26.695 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.080 37.816 23.080 1.00 0.00 H new ATOM 0 HH TYR A 59 41.275 34.874 24.674 1.00 0.00 H new ATOM 948 N ASN A 60 34.063 39.820 27.359 1.00 0.00 N ATOM 949 CA ASN A 60 33.145 40.776 27.944 1.00 0.00 C ATOM 950 C ASN A 60 33.721 42.178 28.149 1.00 0.00 C ATOM 951 O ASN A 60 33.441 42.844 29.145 1.00 0.00 O ATOM 952 CB ASN A 60 32.431 40.170 29.148 1.00 0.00 C ATOM 953 CG ASN A 60 31.115 40.873 29.488 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.674 41.820 28.841 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.399 40.393 30.501 1.00 0.00 N ATOM 0 H ASN A 60 33.679 39.365 26.531 1.00 0.00 H new ATOM 0 HA ASN A 60 32.371 40.977 27.203 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.232 39.117 28.951 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.092 40.213 30.013 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.497 40.811 30.731 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.752 39.607 31.048 1.00 0.00 H new ATOM 962 N ILE A 61 34.528 42.654 27.205 1.00 0.00 N ATOM 963 CA ILE A 61 35.030 44.013 27.178 1.00 0.00 C ATOM 964 C ILE A 61 33.945 44.926 26.606 1.00 0.00 C ATOM 965 O ILE A 61 33.398 44.647 25.541 1.00 0.00 O ATOM 966 CB ILE A 61 36.345 44.079 26.405 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.418 43.242 27.095 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.825 45.518 26.240 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.669 43.004 26.255 1.00 0.00 C ATOM 0 H ILE A 61 34.855 42.088 26.422 1.00 0.00 H new ATOM 0 HA ILE A 61 35.258 44.361 28.186 1.00 0.00 H new ATOM 0 HB ILE A 61 36.162 43.669 25.412 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.707 43.737 28.022 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.990 42.278 27.368 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.763 45.527 25.685 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.075 46.091 25.695 1.00 0.00 H new ATOM 0 HG23 ILE A 61 36.980 45.965 27.222 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.378 42.401 26.822 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.398 42.480 25.339 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.126 43.961 26.004 1.00 0.00 H new ATOM 981 N GLN A 62 33.643 46.012 27.312 1.00 0.00 N ATOM 982 CA GLN A 62 32.688 47.036 26.941 1.00 0.00 C ATOM 983 C GLN A 62 33.300 48.431 27.092 1.00 0.00 C ATOM 984 O GLN A 62 34.443 48.547 27.528 1.00 0.00 O ATOM 985 CB GLN A 62 31.409 46.864 27.755 1.00 0.00 C ATOM 986 CG GLN A 62 30.806 45.469 27.613 1.00 0.00 C ATOM 987 CD GLN A 62 29.387 45.338 28.170 1.00 0.00 C ATOM 988 OE1 GLN A 62 28.567 46.252 28.109 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.023 44.172 28.696 1.00 0.00 N ATOM 0 H GLN A 62 34.087 46.206 28.209 1.00 0.00 H new ATOM 0 HA GLN A 62 32.426 46.927 25.888 1.00 0.00 H new ATOM 0 HB2 GLN A 62 31.623 47.058 28.806 1.00 0.00 H new ATOM 0 HB3 GLN A 62 30.677 47.606 27.436 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.797 45.195 26.558 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.451 44.753 28.122 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.694 43.406 28.752 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.073 44.044 29.043 1.00 0.00 H new ATOM 998 N LYS A 63 32.588 49.499 26.742 1.00 0.00 N ATOM 999 CA LYS A 63 33.082 50.860 26.810 1.00 0.00 C ATOM 1000 C LYS A 63 33.734 51.252 28.137 1.00 0.00 C ATOM 1001 O LYS A 63 33.312 50.818 29.207 1.00 0.00 O ATOM 1002 CB LYS A 63 32.020 51.872 26.391 1.00 0.00 C ATOM 1003 CG LYS A 63 30.942 52.229 27.410 1.00 0.00 C ATOM 1004 CD LYS A 63 29.909 51.142 27.693 1.00 0.00 C ATOM 1005 CE LYS A 63 28.916 51.639 28.739 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.821 50.682 28.957 1.00 0.00 N ATOM 0 H LYS A 63 31.631 49.434 26.396 1.00 0.00 H new ATOM 0 HA LYS A 63 33.894 50.886 26.084 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.528 52.792 26.103 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.525 51.489 25.499 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.429 52.494 28.348 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.419 53.119 27.060 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.384 50.878 26.775 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.405 50.239 28.048 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.438 51.814 29.680 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.503 52.596 28.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.169 51.058 29.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.306 50.534 28.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.212 49.776 29.285 1.00 0.00 H new ATOM 1020 N GLU A 64 34.748 52.109 28.057 1.00 0.00 N ATOM 1021 CA GLU A 64 35.573 52.607 29.139 1.00 0.00 C ATOM 1022 C GLU A 64 36.369 51.552 29.910 1.00 0.00 C ATOM 1023 O GLU A 64 36.776 51.770 31.047 1.00 0.00 O ATOM 1024 CB GLU A 64 34.830 53.595 30.035 1.00 0.00 C ATOM 1025 CG GLU A 64 34.171 54.732 29.260 1.00 0.00 C ATOM 1026 CD GLU A 64 33.780 55.899 30.171 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.086 57.059 29.819 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.159 55.674 31.231 1.00 0.00 O ATOM 0 H GLU A 64 35.032 52.501 27.159 1.00 0.00 H new ATOM 0 HA GLU A 64 36.357 53.172 28.635 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.067 53.060 30.601 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.528 54.015 30.759 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.854 55.088 28.489 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.283 54.357 28.751 1.00 0.00 H new ATOM 1035 N SER A 65 36.652 50.414 29.281 1.00 0.00 N ATOM 1036 CA SER A 65 37.623 49.441 29.740 1.00 0.00 C ATOM 1037 C SER A 65 39.061 49.881 29.462 1.00 0.00 C ATOM 1038 O SER A 65 39.313 50.535 28.453 1.00 0.00 O ATOM 1039 CB SER A 65 37.388 48.094 29.063 1.00 0.00 C ATOM 1040 OG SER A 65 36.093 47.613 29.345 1.00 0.00 O ATOM 0 H SER A 65 36.194 50.141 28.411 1.00 0.00 H new ATOM 0 HA SER A 65 37.490 49.354 30.818 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.517 48.196 27.985 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.131 47.374 29.406 1.00 0.00 H new ATOM 0 HG SER A 65 35.513 47.762 28.570 1.00 0.00 H new ATOM 1046 N THR A 66 40.014 49.474 30.296 1.00 0.00 N ATOM 1047 CA THR A 66 41.429 49.742 30.142 1.00 0.00 C ATOM 1048 C THR A 66 42.239 48.445 30.106 1.00 0.00 C ATOM 1049 O THR A 66 42.173 47.631 31.025 1.00 0.00 O ATOM 1050 CB THR A 66 41.974 50.673 31.223 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.243 51.879 31.233 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.429 51.067 30.991 1.00 0.00 C ATOM 0 H THR A 66 39.806 48.926 31.131 1.00 0.00 H new ATOM 0 HA THR A 66 41.538 50.254 29.186 1.00 0.00 H new ATOM 0 HB THR A 66 41.888 50.120 32.158 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.597 52.470 31.930 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.759 51.729 31.792 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.051 50.172 30.980 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.518 51.582 30.035 1.00 0.00 H new ATOM 1060 N LEU A 67 43.017 48.275 29.041 1.00 0.00 N ATOM 1061 CA LEU A 67 43.854 47.130 28.741 1.00 0.00 C ATOM 1062 C LEU A 67 45.330 47.511 28.863 1.00 0.00 C ATOM 1063 O LEU A 67 45.681 48.688 28.810 1.00 0.00 O ATOM 1064 CB LEU A 67 43.539 46.615 27.340 1.00 0.00 C ATOM 1065 CG LEU A 67 42.178 45.979 27.074 1.00 0.00 C ATOM 1066 CD1 LEU A 67 40.975 46.913 27.164 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.185 45.402 25.662 1.00 0.00 C ATOM 0 H LEU A 67 43.080 48.989 28.316 1.00 0.00 H new ATOM 0 HA LEU A 67 43.648 46.335 29.457 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.652 47.450 26.649 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.302 45.881 27.080 1.00 0.00 H new ATOM 0 HG LEU A 67 42.055 45.237 27.863 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.063 46.353 26.957 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.919 47.339 28.166 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.082 47.715 26.434 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.219 44.942 25.452 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.370 46.200 24.944 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.970 44.651 25.580 1.00 0.00 H new ATOM 1079 N HIS A 68 46.224 46.533 28.984 1.00 0.00 N ATOM 1080 CA HIS A 68 47.649 46.760 29.112 1.00 0.00 C ATOM 1081 C HIS A 68 48.417 46.086 27.974 1.00 0.00 C ATOM 1082 O HIS A 68 48.171 44.921 27.670 1.00 0.00 O ATOM 1083 CB HIS A 68 48.135 46.296 30.482 1.00 0.00 C ATOM 1084 CG HIS A 68 47.246 46.664 31.638 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.740 45.757 32.567 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.745 47.912 31.911 1.00 0.00 C ATOM 1087 CE1 HIS A 68 45.940 46.464 33.370 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.914 47.756 33.002 1.00 0.00 N ATOM 0 H HIS A 68 45.967 45.546 28.995 1.00 0.00 H new ATOM 0 HA HIS A 68 47.842 47.830 29.034 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.247 45.212 30.462 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.126 46.715 30.659 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.957 48.829 31.381 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.389 46.053 34.203 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.373 48.495 33.452 1.00 0.00 H new ATOM 1096 N LEU A 69 49.346 46.798 27.340 1.00 0.00 N ATOM 1097 CA LEU A 69 50.192 46.294 26.277 1.00 0.00 C ATOM 1098 C LEU A 69 51.596 46.001 26.807 1.00 0.00 C ATOM 1099 O LEU A 69 52.198 46.855 27.455 1.00 0.00 O ATOM 1100 CB LEU A 69 50.220 47.325 25.152 1.00 0.00 C ATOM 1101 CG LEU A 69 51.032 46.931 23.922 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.398 45.775 23.154 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.134 48.133 22.987 1.00 0.00 C ATOM 0 H LEU A 69 49.532 47.775 27.565 1.00 0.00 H new ATOM 0 HA LEU A 69 49.794 45.356 25.890 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.195 47.525 24.840 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.621 48.258 25.547 1.00 0.00 H new ATOM 0 HG LEU A 69 52.015 46.610 24.267 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.014 45.533 22.288 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.326 44.903 23.804 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.401 46.063 22.821 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.713 47.860 22.105 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.134 48.443 22.683 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.628 48.956 23.504 1.00 0.00 H new ATOM 1115 N VAL A 70 52.131 44.825 26.490 1.00 0.00 N ATOM 1116 CA VAL A 70 53.482 44.392 26.784 1.00 0.00 C ATOM 1117 C VAL A 70 54.077 43.640 25.593 1.00 0.00 C ATOM 1118 O VAL A 70 53.379 43.331 24.629 1.00 0.00 O ATOM 1119 CB VAL A 70 53.557 43.597 28.084 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.642 44.522 29.295 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.391 42.640 28.312 1.00 0.00 C ATOM 0 H VAL A 70 51.597 44.112 25.993 1.00 0.00 H new ATOM 0 HA VAL A 70 54.096 45.278 26.945 1.00 0.00 H new ATOM 0 HB VAL A 70 54.462 43.000 27.975 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.694 43.925 30.206 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.534 45.143 29.217 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.758 45.159 29.329 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.528 42.118 29.259 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.458 43.203 28.340 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.352 41.914 27.500 1.00 0.00 H new