USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 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 43 SER OG : rot 180:sc= 0.857 USER MOD Set 1.2: A 44 GLN : amide:sc= -1.19! K(o=-0.19!,f=1.4) USER MOD Set 1.3: A 45 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 11 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.52) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 1.03 (180deg=0.92) USER MOD Single : A 15 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00233) USER MOD Single : A 18 GLN : amide:sc= -0.044 X(o=-0.044,f=-0.23) USER MOD Single : A 22 LYS NZ :NH3+ 170:sc=-0.00611 (180deg=-0.101) USER MOD Single : A 34 MET CE :methyl -170:sc= -1.91 (180deg=-2.26) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -164:sc= 1.2 USER MOD Single : A 40 ASN : amide:sc= 0.49 K(o=0.49,f=-0.76) USER MOD Single : A 46 THR OG1 : rot -176:sc= 1.29 USER MOD Single : A 48 SER OG : rot 81:sc= 1.06 USER MOD Single : A 54 ASN : amide:sc= 1.39 K(o=1.4,f=-7.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0365 USER MOD Single : A 58 LYS NZ :NH3+ -115:sc= -0.0784 (180deg=-0.935) USER MOD Single : A 59 ASN : amide:sc= -0.335! X(o=-0.34!,f=-0.063) USER MOD Single : A 60 MET CE :methyl 175:sc= -0.711 (180deg=-0.811) USER MOD Single : A 61 CYS SG : rot -13:sc= 0.195 USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0.715 (180deg=0.702) USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= 1.31 (180deg=0.767) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.116 X(o=0.12,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 6 4.517 5.625 -0.724 1.00 0.00 N ATOM 16 CA LEU A 6 5.434 6.023 0.337 1.00 0.00 C ATOM 17 C LEU A 6 6.043 4.792 1.017 1.00 0.00 C ATOM 18 O LEU A 6 7.237 4.770 1.292 1.00 0.00 O ATOM 19 CB LEU A 6 4.714 6.915 1.356 1.00 0.00 C ATOM 20 CG LEU A 6 4.490 8.358 0.866 1.00 0.00 C ATOM 21 CD1 LEU A 6 3.475 8.474 -0.278 1.00 0.00 C ATOM 22 CD2 LEU A 6 4.010 9.214 2.044 1.00 0.00 C ATOM 0 HA LEU A 6 6.248 6.598 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.749 6.469 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.295 6.940 2.278 1.00 0.00 H new ATOM 0 HG LEU A 6 5.445 8.707 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.371 9.520 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.822 7.893 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.509 8.092 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.848 10.238 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.076 8.808 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.764 9.205 2.831 1.00 0.00 H new ATOM 34 N GLU A 7 5.226 3.755 1.230 1.00 0.00 N ATOM 35 CA GLU A 7 5.632 2.455 1.748 1.00 0.00 C ATOM 36 C GLU A 7 6.838 1.890 0.986 1.00 0.00 C ATOM 37 O GLU A 7 7.777 1.377 1.591 1.00 0.00 O ATOM 38 CB GLU A 7 4.454 1.470 1.681 1.00 0.00 C ATOM 39 CG GLU A 7 3.166 1.997 2.340 1.00 0.00 C ATOM 40 CD GLU A 7 2.168 2.567 1.331 1.00 0.00 C ATOM 41 OE1 GLU A 7 2.546 3.533 0.630 1.00 0.00 O ATOM 42 OE2 GLU A 7 1.046 2.022 1.267 1.00 0.00 O ATOM 0 H GLU A 7 4.226 3.806 1.037 1.00 0.00 H new ATOM 0 HA GLU A 7 5.932 2.591 2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.247 1.236 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.744 0.538 2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.691 1.188 2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.425 2.770 3.063 1.00 0.00 H new ATOM 49 N GLU A 8 6.810 1.976 -0.346 1.00 0.00 N ATOM 50 CA GLU A 8 7.926 1.570 -1.182 1.00 0.00 C ATOM 51 C GLU A 8 9.081 2.548 -0.974 1.00 0.00 C ATOM 52 O GLU A 8 10.206 2.125 -0.720 1.00 0.00 O ATOM 53 CB GLU A 8 7.487 1.510 -2.654 1.00 0.00 C ATOM 54 CG GLU A 8 8.581 0.924 -3.554 1.00 0.00 C ATOM 55 CD GLU A 8 8.142 0.912 -5.015 1.00 0.00 C ATOM 56 OE1 GLU A 8 7.408 -0.032 -5.378 1.00 0.00 O ATOM 57 OE2 GLU A 8 8.550 1.846 -5.739 1.00 0.00 O ATOM 0 H GLU A 8 6.009 2.330 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 8 8.264 0.572 -0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.584 0.905 -2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.232 2.512 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.494 1.510 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.815 -0.091 -3.233 1.00 0.00 H new ATOM 64 N LEU A 9 8.806 3.852 -1.100 1.00 0.00 N ATOM 65 CA LEU A 9 9.835 4.886 -1.030 1.00 0.00 C ATOM 66 C LEU A 9 10.672 4.769 0.246 1.00 0.00 C ATOM 67 O LEU A 9 11.894 4.798 0.154 1.00 0.00 O ATOM 68 CB LEU A 9 9.232 6.296 -1.145 1.00 0.00 C ATOM 69 CG LEU A 9 8.378 6.539 -2.402 1.00 0.00 C ATOM 70 CD1 LEU A 9 7.952 8.010 -2.454 1.00 0.00 C ATOM 71 CD2 LEU A 9 9.131 6.200 -3.690 1.00 0.00 C ATOM 0 H LEU A 9 7.865 4.215 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 9 10.495 4.727 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.617 6.485 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 9 10.043 7.024 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 9 7.510 5.884 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.347 8.182 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.368 8.251 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.838 8.644 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.486 6.388 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.024 6.821 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.420 5.149 -3.677 1.00 0.00 H new ATOM 83 N GLU A 10 10.049 4.641 1.422 1.00 0.00 N ATOM 84 CA GLU A 10 10.789 4.577 2.679 1.00 0.00 C ATOM 85 C GLU A 10 11.756 3.400 2.691 1.00 0.00 C ATOM 86 O GLU A 10 12.969 3.580 2.792 1.00 0.00 O ATOM 87 CB GLU A 10 9.858 4.569 3.904 1.00 0.00 C ATOM 88 CG GLU A 10 8.773 3.485 3.960 1.00 0.00 C ATOM 89 CD GLU A 10 7.655 3.875 4.921 1.00 0.00 C ATOM 90 OE1 GLU A 10 6.718 4.561 4.457 1.00 0.00 O ATOM 91 OE2 GLU A 10 7.763 3.492 6.106 1.00 0.00 O ATOM 0 H GLU A 10 9.036 4.580 1.526 1.00 0.00 H new ATOM 0 HA GLU A 10 11.382 5.489 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.476 4.473 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.367 5.540 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.361 3.327 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.215 2.540 4.276 1.00 0.00 H new ATOM 98 N GLN A 11 11.198 2.196 2.583 1.00 0.00 N ATOM 99 CA GLN A 11 11.967 0.962 2.557 1.00 0.00 C ATOM 100 C GLN A 11 13.082 1.071 1.518 1.00 0.00 C ATOM 101 O GLN A 11 14.249 0.859 1.841 1.00 0.00 O ATOM 102 CB GLN A 11 11.054 -0.239 2.266 1.00 0.00 C ATOM 103 CG GLN A 11 9.992 -0.463 3.352 1.00 0.00 C ATOM 104 CD GLN A 11 10.599 -0.617 4.742 1.00 0.00 C ATOM 105 OE1 GLN A 11 10.395 0.223 5.611 1.00 0.00 O ATOM 106 NE2 GLN A 11 11.368 -1.679 4.960 1.00 0.00 N ATOM 0 H GLN A 11 10.191 2.052 2.511 1.00 0.00 H new ATOM 0 HA GLN A 11 12.419 0.803 3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.559 -0.088 1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.664 -1.137 2.171 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.297 0.377 3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.414 -1.355 3.111 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.519 -2.361 4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.807 -1.812 5.871 1.00 0.00 H new ATOM 115 N PHE A 12 12.726 1.434 0.285 1.00 0.00 N ATOM 116 CA PHE A 12 13.680 1.616 -0.796 1.00 0.00 C ATOM 117 C PHE A 12 14.795 2.583 -0.390 1.00 0.00 C ATOM 118 O PHE A 12 15.965 2.259 -0.555 1.00 0.00 O ATOM 119 CB PHE A 12 12.960 2.082 -2.067 1.00 0.00 C ATOM 120 CG PHE A 12 13.912 2.416 -3.197 1.00 0.00 C ATOM 121 CD1 PHE A 12 14.443 1.397 -4.009 1.00 0.00 C ATOM 122 CD2 PHE A 12 14.409 3.725 -3.303 1.00 0.00 C ATOM 123 CE1 PHE A 12 15.457 1.693 -4.937 1.00 0.00 C ATOM 124 CE2 PHE A 12 15.439 4.015 -4.218 1.00 0.00 C ATOM 125 CZ PHE A 12 15.947 3.005 -5.050 1.00 0.00 C ATOM 0 H PHE A 12 11.759 1.610 0.012 1.00 0.00 H new ATOM 0 HA PHE A 12 14.151 0.656 -1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.274 1.302 -2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 12 12.357 2.960 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 12 14.072 0.387 -3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 12 14.001 4.509 -2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.860 0.911 -5.564 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.839 5.016 -4.280 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.713 3.236 -5.776 1.00 0.00 H new ATOM 135 N ALA A 13 14.460 3.761 0.137 1.00 0.00 N ATOM 136 CA ALA A 13 15.434 4.779 0.510 1.00 0.00 C ATOM 137 C ALA A 13 16.399 4.248 1.571 1.00 0.00 C ATOM 138 O ALA A 13 17.619 4.299 1.398 1.00 0.00 O ATOM 139 CB ALA A 13 14.707 6.040 0.991 1.00 0.00 C ATOM 0 H ALA A 13 13.494 4.035 0.317 1.00 0.00 H new ATOM 0 HA ALA A 13 16.030 5.039 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.439 6.798 1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 13 14.074 6.423 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.090 5.797 1.856 1.00 0.00 H new ATOM 145 N LYS A 14 15.856 3.716 2.671 1.00 0.00 N ATOM 146 CA LYS A 14 16.668 3.120 3.728 1.00 0.00 C ATOM 147 C LYS A 14 17.574 2.034 3.137 1.00 0.00 C ATOM 148 O LYS A 14 18.778 2.002 3.384 1.00 0.00 O ATOM 149 CB LYS A 14 15.764 2.531 4.821 1.00 0.00 C ATOM 150 CG LYS A 14 14.885 3.560 5.550 1.00 0.00 C ATOM 151 CD LYS A 14 15.706 4.611 6.309 1.00 0.00 C ATOM 152 CE LYS A 14 14.847 5.329 7.358 1.00 0.00 C ATOM 153 NZ LYS A 14 13.672 5.989 6.761 1.00 0.00 N ATOM 0 H LYS A 14 14.852 3.688 2.850 1.00 0.00 H new ATOM 0 HA LYS A 14 17.293 3.892 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 14 15.119 1.775 4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 14 16.389 2.022 5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.243 4.061 4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.231 3.041 6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.555 4.132 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.111 5.339 5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.516 4.610 8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.454 6.072 7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.027 6.299 7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.981 6.815 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.178 5.320 6.136 1.00 0.00 H new ATOM 167 N THR A 15 16.988 1.168 2.313 1.00 0.00 N ATOM 168 CA THR A 15 17.699 0.065 1.674 1.00 0.00 C ATOM 169 C THR A 15 18.794 0.596 0.748 1.00 0.00 C ATOM 170 O THR A 15 19.879 0.028 0.691 1.00 0.00 O ATOM 171 CB THR A 15 16.723 -0.864 0.941 1.00 0.00 C ATOM 172 OG1 THR A 15 15.777 -1.366 1.861 1.00 0.00 O ATOM 173 CG2 THR A 15 17.431 -2.067 0.311 1.00 0.00 C ATOM 0 H THR A 15 15.999 1.213 2.069 1.00 0.00 H new ATOM 0 HA THR A 15 18.186 -0.530 2.446 1.00 0.00 H new ATOM 0 HB THR A 15 16.253 -0.276 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.102 -0.679 2.044 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.699 -2.695 -0.196 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.171 -1.718 -0.409 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.928 -2.646 1.090 1.00 0.00 H new ATOM 181 N PHE A 16 18.523 1.685 0.028 1.00 0.00 N ATOM 182 CA PHE A 16 19.471 2.333 -0.860 1.00 0.00 C ATOM 183 C PHE A 16 20.684 2.782 -0.046 1.00 0.00 C ATOM 184 O PHE A 16 21.818 2.439 -0.380 1.00 0.00 O ATOM 185 CB PHE A 16 18.777 3.483 -1.610 1.00 0.00 C ATOM 186 CG PHE A 16 19.677 4.212 -2.582 1.00 0.00 C ATOM 187 CD1 PHE A 16 20.446 5.313 -2.156 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.724 3.801 -3.924 1.00 0.00 C ATOM 189 CE1 PHE A 16 21.283 5.979 -3.069 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.546 4.479 -4.835 1.00 0.00 C ATOM 191 CZ PHE A 16 21.359 5.537 -4.401 1.00 0.00 C ATOM 0 H PHE A 16 17.614 2.147 0.051 1.00 0.00 H new ATOM 0 HA PHE A 16 19.831 1.642 -1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.920 3.085 -2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 16 18.390 4.197 -0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 16 20.393 5.645 -1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 16 19.127 2.963 -4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 16 21.867 6.829 -2.747 1.00 0.00 H new ATOM 0 HE2 PHE A 16 20.554 4.186 -5.874 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.042 6.011 -5.090 1.00 0.00 H new ATOM 201 N LYS A 17 20.446 3.504 1.053 1.00 0.00 N ATOM 202 CA LYS A 17 21.508 3.913 1.964 1.00 0.00 C ATOM 203 C LYS A 17 22.284 2.693 2.480 1.00 0.00 C ATOM 204 O LYS A 17 23.509 2.636 2.372 1.00 0.00 O ATOM 205 CB LYS A 17 20.901 4.751 3.097 1.00 0.00 C ATOM 206 CG LYS A 17 21.955 5.264 4.085 1.00 0.00 C ATOM 207 CD LYS A 17 21.298 6.195 5.111 1.00 0.00 C ATOM 208 CE LYS A 17 22.265 6.591 6.231 1.00 0.00 C ATOM 209 NZ LYS A 17 23.402 7.378 5.724 1.00 0.00 N ATOM 0 H LYS A 17 19.516 3.818 1.331 1.00 0.00 H new ATOM 0 HA LYS A 17 22.233 4.533 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 17 20.367 5.599 2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 17 20.167 4.150 3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 17 22.429 4.424 4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 17 22.741 5.796 3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 17 20.939 7.093 4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 17 20.427 5.702 5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 17 21.730 7.170 6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.637 5.693 6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 24.023 7.640 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 23.938 6.811 5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 23.049 8.240 5.261 1.00 0.00 H new ATOM 223 N GLN A 18 21.584 1.707 3.044 1.00 0.00 N ATOM 224 CA GLN A 18 22.209 0.495 3.562 1.00 0.00 C ATOM 225 C GLN A 18 23.105 -0.147 2.496 1.00 0.00 C ATOM 226 O GLN A 18 24.277 -0.426 2.740 1.00 0.00 O ATOM 227 CB GLN A 18 21.124 -0.485 4.022 1.00 0.00 C ATOM 228 CG GLN A 18 20.398 0.009 5.283 1.00 0.00 C ATOM 229 CD GLN A 18 19.029 -0.647 5.451 1.00 0.00 C ATOM 230 OE1 GLN A 18 18.046 0.018 5.754 1.00 0.00 O ATOM 231 NE2 GLN A 18 18.946 -1.960 5.250 1.00 0.00 N ATOM 0 H GLN A 18 20.570 1.729 3.153 1.00 0.00 H new ATOM 0 HA GLN A 18 22.837 0.753 4.415 1.00 0.00 H new ATOM 0 HB2 GLN A 18 20.400 -0.627 3.219 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.575 -1.457 4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 18 21.011 -0.202 6.160 1.00 0.00 H new ATOM 0 HG3 GLN A 18 20.277 1.091 5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.780 -2.491 4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 18 18.049 -2.435 5.347 1.00 0.00 H new ATOM 240 N ARG A 19 22.550 -0.381 1.309 1.00 0.00 N ATOM 241 CA ARG A 19 23.244 -1.042 0.220 1.00 0.00 C ATOM 242 C ARG A 19 24.456 -0.225 -0.225 1.00 0.00 C ATOM 243 O ARG A 19 25.543 -0.782 -0.355 1.00 0.00 O ATOM 244 CB ARG A 19 22.271 -1.334 -0.928 1.00 0.00 C ATOM 245 CG ARG A 19 22.977 -2.077 -2.068 1.00 0.00 C ATOM 246 CD ARG A 19 21.963 -2.778 -2.973 1.00 0.00 C ATOM 247 NE ARG A 19 22.631 -3.342 -4.153 1.00 0.00 N ATOM 248 CZ ARG A 19 22.035 -4.100 -5.084 1.00 0.00 C ATOM 249 NH1 ARG A 19 20.735 -4.398 -4.985 1.00 0.00 N ATOM 250 NH2 ARG A 19 22.752 -4.552 -6.115 1.00 0.00 N ATOM 0 H ARG A 19 21.593 -0.111 1.079 1.00 0.00 H new ATOM 0 HA ARG A 19 23.628 -2.001 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.437 -1.932 -0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.852 -0.400 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 19 23.569 -1.374 -2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 19 23.670 -2.810 -1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 19 21.459 -3.570 -2.419 1.00 0.00 H new ATOM 0 HD3 ARG A 19 21.195 -2.070 -3.286 1.00 0.00 H new ATOM 0 HE ARG A 19 23.624 -3.142 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 19 20.190 -4.048 -4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.288 -4.975 -5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 19 23.743 -4.320 -6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 19 22.309 -5.130 -6.830 1.00 0.00 H new ATOM 264 N ARG A 20 24.301 1.085 -0.445 1.00 0.00 N ATOM 265 CA ARG A 20 25.439 1.903 -0.843 1.00 0.00 C ATOM 266 C ARG A 20 26.544 1.792 0.217 1.00 0.00 C ATOM 267 O ARG A 20 27.711 1.613 -0.125 1.00 0.00 O ATOM 268 CB ARG A 20 25.024 3.350 -1.190 1.00 0.00 C ATOM 269 CG ARG A 20 25.184 4.334 -0.027 1.00 0.00 C ATOM 270 CD ARG A 20 24.855 5.777 -0.415 1.00 0.00 C ATOM 271 NE ARG A 20 24.544 6.608 0.757 1.00 0.00 N ATOM 272 CZ ARG A 20 25.345 6.867 1.802 1.00 0.00 C ATOM 273 NH1 ARG A 20 26.598 6.398 1.871 1.00 0.00 N ATOM 274 NH2 ARG A 20 24.874 7.623 2.798 1.00 0.00 N ATOM 0 H ARG A 20 23.418 1.588 -0.356 1.00 0.00 H new ATOM 0 HA ARG A 20 25.855 1.521 -1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 20 25.622 3.697 -2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.984 3.352 -1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 20 24.535 4.027 0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 20 26.208 4.288 0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.700 6.209 -0.951 1.00 0.00 H new ATOM 0 HD3 ARG A 20 24.006 5.783 -1.099 1.00 0.00 H new ATOM 0 HE ARG A 20 23.618 7.035 0.778 1.00 0.00 H new ATOM 0 HH11 ARG A 20 26.970 5.825 1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 20 27.180 6.614 2.680 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.923 7.990 2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 20 25.465 7.833 3.602 1.00 0.00 H new ATOM 288 N ILE A 21 26.183 1.863 1.505 1.00 0.00 N ATOM 289 CA ILE A 21 27.150 1.710 2.585 1.00 0.00 C ATOM 290 C ILE A 21 27.832 0.341 2.488 1.00 0.00 C ATOM 291 O ILE A 21 29.058 0.272 2.540 1.00 0.00 O ATOM 292 CB ILE A 21 26.489 1.980 3.952 1.00 0.00 C ATOM 293 CG1 ILE A 21 26.157 3.481 4.060 1.00 0.00 C ATOM 294 CG2 ILE A 21 27.411 1.562 5.109 1.00 0.00 C ATOM 295 CD1 ILE A 21 25.255 3.806 5.255 1.00 0.00 C ATOM 0 H ILE A 21 25.226 2.026 1.818 1.00 0.00 H new ATOM 0 HA ILE A 21 27.938 2.457 2.485 1.00 0.00 H new ATOM 0 HB ILE A 21 25.576 1.388 4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 21 27.084 4.048 4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 21 25.668 3.807 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 21 26.917 1.765 6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 21 27.629 0.497 5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 21 28.341 2.128 5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 21 25.055 4.877 5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 21 24.314 3.264 5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 21 25.753 3.509 6.178 1.00 0.00 H new ATOM 307 N LYS A 22 27.070 -0.744 2.312 1.00 0.00 N ATOM 308 CA LYS A 22 27.643 -2.077 2.126 1.00 0.00 C ATOM 309 C LYS A 22 28.615 -2.111 0.938 1.00 0.00 C ATOM 310 O LYS A 22 29.675 -2.726 1.030 1.00 0.00 O ATOM 311 CB LYS A 22 26.536 -3.128 1.969 1.00 0.00 C ATOM 312 CG LYS A 22 25.714 -3.346 3.249 1.00 0.00 C ATOM 313 CD LYS A 22 26.467 -4.207 4.275 1.00 0.00 C ATOM 314 CE LYS A 22 25.654 -4.398 5.562 1.00 0.00 C ATOM 315 NZ LYS A 22 24.399 -5.132 5.322 1.00 0.00 N ATOM 0 H LYS A 22 26.050 -0.722 2.295 1.00 0.00 H new ATOM 0 HA LYS A 22 28.216 -2.321 3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.867 -2.823 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 22 26.985 -4.075 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 22 25.472 -2.381 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 22 24.769 -3.827 2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 22 26.691 -5.180 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 22 27.421 -3.737 4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 22 26.255 -4.939 6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 22 25.426 -3.424 5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.966 -5.386 6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 23.743 -4.531 4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 24.601 -5.997 4.781 1.00 0.00 H new ATOM 329 N LEU A 23 28.282 -1.433 -0.164 1.00 0.00 N ATOM 330 CA LEU A 23 29.163 -1.313 -1.325 1.00 0.00 C ATOM 331 C LEU A 23 30.355 -0.373 -1.070 1.00 0.00 C ATOM 332 O LEU A 23 31.195 -0.201 -1.951 1.00 0.00 O ATOM 333 CB LEU A 23 28.355 -0.850 -2.551 1.00 0.00 C ATOM 334 CG LEU A 23 27.275 -1.848 -3.008 1.00 0.00 C ATOM 335 CD1 LEU A 23 26.373 -1.181 -4.053 1.00 0.00 C ATOM 336 CD2 LEU A 23 27.886 -3.115 -3.620 1.00 0.00 C ATOM 0 H LEU A 23 27.390 -0.951 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 23 29.583 -2.300 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.879 0.103 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 23 29.042 -0.671 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 23 26.701 -2.137 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.608 -1.887 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.896 -0.304 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.973 -0.877 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 23 27.089 -3.791 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 23 28.489 -2.846 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 23 28.515 -3.610 -2.880 1.00 0.00 H new ATOM 348 N GLY A 24 30.457 0.239 0.114 1.00 0.00 N ATOM 349 CA GLY A 24 31.534 1.156 0.456 1.00 0.00 C ATOM 350 C GLY A 24 31.390 2.492 -0.272 1.00 0.00 C ATOM 351 O GLY A 24 32.374 3.197 -0.486 1.00 0.00 O ATOM 0 H GLY A 24 29.782 0.106 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 24 31.539 1.327 1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 24 32.492 0.704 0.201 1.00 0.00 H new ATOM 355 N PHE A 25 30.164 2.857 -0.650 1.00 0.00 N ATOM 356 CA PHE A 25 29.871 4.082 -1.373 1.00 0.00 C ATOM 357 C PHE A 25 29.560 5.181 -0.372 1.00 0.00 C ATOM 358 O PHE A 25 28.455 5.276 0.163 1.00 0.00 O ATOM 359 CB PHE A 25 28.739 3.840 -2.369 1.00 0.00 C ATOM 360 CG PHE A 25 29.037 2.854 -3.487 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.342 2.383 -3.746 1.00 0.00 C ATOM 362 CD2 PHE A 25 27.986 2.483 -4.342 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.575 1.515 -4.828 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.226 1.644 -5.443 1.00 0.00 C ATOM 365 CZ PHE A 25 29.519 1.149 -5.680 1.00 0.00 C ATOM 0 H PHE A 25 29.336 2.295 -0.456 1.00 0.00 H new ATOM 0 HA PHE A 25 30.733 4.404 -1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.868 3.484 -1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.465 4.795 -2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 25 31.162 2.689 -3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 25 26.987 2.845 -4.152 1.00 0.00 H new ATOM 0 HE1 PHE A 25 31.568 1.129 -5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 25 27.416 1.380 -6.107 1.00 0.00 H new ATOM 0 HZ PHE A 25 29.701 0.489 -6.515 1.00 0.00 H new ATOM 413 N ASP A 29 30.263 9.274 -3.448 1.00 0.00 N ATOM 414 CA ASP A 29 30.323 8.295 -4.530 1.00 0.00 C ATOM 415 C ASP A 29 29.016 8.289 -5.332 1.00 0.00 C ATOM 416 O ASP A 29 29.025 8.485 -6.549 1.00 0.00 O ATOM 417 CB ASP A 29 30.611 6.903 -3.951 1.00 0.00 C ATOM 418 CG ASP A 29 30.562 5.829 -5.036 1.00 0.00 C ATOM 419 OD1 ASP A 29 29.435 5.377 -5.333 1.00 0.00 O ATOM 420 OD2 ASP A 29 31.650 5.490 -5.549 1.00 0.00 O ATOM 0 HA ASP A 29 31.129 8.570 -5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.593 6.900 -3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 29 29.882 6.672 -3.174 1.00 0.00 H new ATOM 425 N VAL A 30 27.889 8.078 -4.640 1.00 0.00 N ATOM 426 CA VAL A 30 26.587 8.098 -5.287 1.00 0.00 C ATOM 427 C VAL A 30 26.403 9.456 -5.951 1.00 0.00 C ATOM 428 O VAL A 30 26.169 9.504 -7.151 1.00 0.00 O ATOM 429 CB VAL A 30 25.450 7.766 -4.303 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.075 8.039 -4.929 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.492 6.289 -3.897 1.00 0.00 C ATOM 0 H VAL A 30 27.860 7.893 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 30 26.544 7.319 -6.049 1.00 0.00 H new ATOM 0 HB VAL A 30 25.595 8.403 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.293 7.795 -4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 30 24.002 9.092 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.953 7.424 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.679 6.080 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.381 5.665 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.446 6.071 -3.416 1.00 0.00 H new ATOM 441 N GLY A 31 26.519 10.549 -5.191 1.00 0.00 N ATOM 442 CA GLY A 31 26.328 11.899 -5.707 1.00 0.00 C ATOM 443 C GLY A 31 27.053 12.119 -7.040 1.00 0.00 C ATOM 444 O GLY A 31 26.465 12.614 -8.004 1.00 0.00 O ATOM 0 H GLY A 31 26.749 10.517 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.263 12.088 -5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 31 26.691 12.620 -4.975 1.00 0.00 H new ATOM 448 N LEU A 32 28.332 11.741 -7.091 1.00 0.00 N ATOM 449 CA LEU A 32 29.175 11.830 -8.272 1.00 0.00 C ATOM 450 C LEU A 32 28.567 11.022 -9.409 1.00 0.00 C ATOM 451 O LEU A 32 28.390 11.518 -10.519 1.00 0.00 O ATOM 452 CB LEU A 32 30.567 11.294 -7.927 1.00 0.00 C ATOM 453 CG LEU A 32 31.596 11.422 -9.062 1.00 0.00 C ATOM 454 CD1 LEU A 32 31.839 12.880 -9.468 1.00 0.00 C ATOM 455 CD2 LEU A 32 32.919 10.792 -8.611 1.00 0.00 C ATOM 0 H LEU A 32 28.819 11.353 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 32 29.252 12.869 -8.592 1.00 0.00 H new ATOM 0 HB2 LEU A 32 30.941 11.826 -7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.480 10.244 -7.649 1.00 0.00 H new ATOM 0 HG LEU A 32 31.196 10.903 -9.933 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.573 12.916 -10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 32 30.904 13.323 -9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.213 13.439 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.655 10.879 -9.411 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.285 11.309 -7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 32 32.760 9.739 -8.377 1.00 0.00 H new ATOM 467 N ALA A 33 28.263 9.758 -9.123 1.00 0.00 N ATOM 468 CA ALA A 33 27.665 8.860 -10.098 1.00 0.00 C ATOM 469 C ALA A 33 26.352 9.423 -10.664 1.00 0.00 C ATOM 470 O ALA A 33 26.175 9.451 -11.879 1.00 0.00 O ATOM 471 CB ALA A 33 27.490 7.472 -9.489 1.00 0.00 C ATOM 0 H ALA A 33 28.425 9.332 -8.211 1.00 0.00 H new ATOM 0 HA ALA A 33 28.341 8.770 -10.948 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.042 6.805 -10.226 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.462 7.081 -9.190 1.00 0.00 H new ATOM 0 HB3 ALA A 33 26.841 7.537 -8.616 1.00 0.00 H new ATOM 477 N MET A 34 25.441 9.905 -9.809 1.00 0.00 N ATOM 478 CA MET A 34 24.226 10.581 -10.257 1.00 0.00 C ATOM 479 C MET A 34 24.595 11.757 -11.153 1.00 0.00 C ATOM 480 O MET A 34 24.022 11.934 -12.223 1.00 0.00 O ATOM 481 CB MET A 34 23.378 11.089 -9.082 1.00 0.00 C ATOM 482 CG MET A 34 23.061 10.050 -7.997 1.00 0.00 C ATOM 483 SD MET A 34 22.571 8.399 -8.508 1.00 0.00 S ATOM 484 CE MET A 34 21.212 8.882 -9.572 1.00 0.00 C ATOM 0 H MET A 34 25.528 9.836 -8.795 1.00 0.00 H new ATOM 0 HA MET A 34 23.632 9.852 -10.808 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.898 11.927 -8.617 1.00 0.00 H new ATOM 0 HB3 MET A 34 22.438 11.476 -9.476 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.943 9.953 -7.363 1.00 0.00 H new ATOM 0 HG3 MET A 34 22.263 10.454 -7.374 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.645 7.998 -9.862 1.00 0.00 H new ATOM 0 HE2 MET A 34 20.559 9.573 -9.038 1.00 0.00 H new ATOM 0 HE3 MET A 34 21.604 9.370 -10.464 1.00 0.00 H new ATOM 494 N GLY A 35 25.572 12.538 -10.695 1.00 0.00 N ATOM 495 CA GLY A 35 26.245 13.583 -11.452 1.00 0.00 C ATOM 496 C GLY A 35 26.536 13.143 -12.883 1.00 0.00 C ATOM 497 O GLY A 35 26.121 13.800 -13.833 1.00 0.00 O ATOM 0 H GLY A 35 25.929 12.453 -9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.625 14.479 -11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.178 13.848 -10.956 1.00 0.00 H new ATOM 501 N LYS A 36 27.256 12.031 -13.028 1.00 0.00 N ATOM 502 CA LYS A 36 27.647 11.495 -14.321 1.00 0.00 C ATOM 503 C LYS A 36 26.435 11.035 -15.136 1.00 0.00 C ATOM 504 O LYS A 36 26.320 11.385 -16.307 1.00 0.00 O ATOM 505 CB LYS A 36 28.662 10.369 -14.117 1.00 0.00 C ATOM 506 CG LYS A 36 29.989 10.948 -13.610 1.00 0.00 C ATOM 507 CD LYS A 36 30.893 9.809 -13.144 1.00 0.00 C ATOM 508 CE LYS A 36 32.292 10.334 -12.806 1.00 0.00 C ATOM 509 NZ LYS A 36 33.135 9.276 -12.222 1.00 0.00 N ATOM 0 H LYS A 36 27.585 11.475 -12.239 1.00 0.00 H new ATOM 0 HA LYS A 36 28.118 12.287 -14.903 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.275 9.644 -13.401 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.822 9.837 -15.055 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.478 11.514 -14.403 1.00 0.00 H new ATOM 0 HG3 LYS A 36 29.806 11.641 -12.789 1.00 0.00 H new ATOM 0 HD2 LYS A 36 30.458 9.328 -12.268 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.962 9.050 -13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.765 10.722 -13.708 1.00 0.00 H new ATOM 0 HE3 LYS A 36 32.211 11.165 -12.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 34.076 9.662 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 32.694 8.924 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 33.231 8.494 -12.901 1.00 0.00 H new ATOM 523 N LEU A 37 25.549 10.224 -14.547 1.00 0.00 N ATOM 524 CA LEU A 37 24.435 9.647 -15.295 1.00 0.00 C ATOM 525 C LEU A 37 23.419 10.711 -15.721 1.00 0.00 C ATOM 526 O LEU A 37 22.963 10.700 -16.862 1.00 0.00 O ATOM 527 CB LEU A 37 23.718 8.552 -14.491 1.00 0.00 C ATOM 528 CG LEU A 37 24.567 7.324 -14.117 1.00 0.00 C ATOM 529 CD1 LEU A 37 23.632 6.251 -13.545 1.00 0.00 C ATOM 530 CD2 LEU A 37 25.328 6.735 -15.310 1.00 0.00 C ATOM 0 H LEU A 37 25.584 9.956 -13.563 1.00 0.00 H new ATOM 0 HA LEU A 37 24.869 9.202 -16.190 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.333 8.996 -13.573 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.857 8.212 -15.066 1.00 0.00 H new ATOM 0 HG LEU A 37 25.313 7.645 -13.390 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.213 5.370 -13.273 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.128 6.641 -12.661 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.889 5.978 -14.295 1.00 0.00 H new ATOM 0 HD21 LEU A 37 25.908 5.872 -14.982 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.618 6.425 -16.077 1.00 0.00 H new ATOM 0 HD23 LEU A 37 26.000 7.489 -15.721 1.00 0.00 H new ATOM 542 N TYR A 38 23.010 11.572 -14.785 1.00 0.00 N ATOM 543 CA TYR A 38 21.894 12.498 -14.952 1.00 0.00 C ATOM 544 C TYR A 38 22.319 13.936 -14.646 1.00 0.00 C ATOM 545 O TYR A 38 22.112 14.841 -15.451 1.00 0.00 O ATOM 546 CB TYR A 38 20.736 12.101 -14.018 1.00 0.00 C ATOM 547 CG TYR A 38 20.441 10.619 -13.857 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.305 9.776 -14.975 1.00 0.00 C ATOM 549 CD2 TYR A 38 20.157 10.115 -12.574 1.00 0.00 C ATOM 550 CE1 TYR A 38 19.964 8.423 -14.797 1.00 0.00 C ATOM 551 CE2 TYR A 38 19.640 8.820 -12.422 1.00 0.00 C ATOM 552 CZ TYR A 38 19.628 7.945 -13.520 1.00 0.00 C ATOM 553 OH TYR A 38 19.241 6.651 -13.361 1.00 0.00 O ATOM 0 H TYR A 38 23.457 11.644 -13.871 1.00 0.00 H new ATOM 0 HA TYR A 38 21.567 12.445 -15.990 1.00 0.00 H new ATOM 0 HB2 TYR A 38 20.945 12.512 -13.030 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.830 12.587 -14.380 1.00 0.00 H new ATOM 0 HD1 TYR A 38 20.462 10.167 -15.969 1.00 0.00 H new ATOM 0 HD2 TYR A 38 20.338 10.728 -11.703 1.00 0.00 H new ATOM 0 HE1 TYR A 38 19.961 7.751 -15.643 1.00 0.00 H new ATOM 0 HE2 TYR A 38 19.254 8.498 -11.466 1.00 0.00 H new ATOM 0 HH TYR A 38 18.812 6.543 -12.487 1.00 0.00 H new ATOM 563 N GLY A 39 22.852 14.149 -13.442 1.00 0.00 N ATOM 564 CA GLY A 39 23.122 15.450 -12.860 1.00 0.00 C ATOM 565 C GLY A 39 23.151 15.289 -11.341 1.00 0.00 C ATOM 566 O GLY A 39 22.528 14.374 -10.798 1.00 0.00 O ATOM 0 H GLY A 39 23.116 13.381 -12.825 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.074 15.839 -13.221 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.354 16.166 -13.153 1.00 0.00 H new ATOM 570 N ASN A 40 23.898 16.148 -10.640 1.00 0.00 N ATOM 571 CA ASN A 40 24.184 15.972 -9.217 1.00 0.00 C ATOM 572 C ASN A 40 23.015 16.459 -8.356 1.00 0.00 C ATOM 573 O ASN A 40 23.187 17.267 -7.448 1.00 0.00 O ATOM 574 CB ASN A 40 25.507 16.674 -8.869 1.00 0.00 C ATOM 575 CG ASN A 40 25.941 16.438 -7.421 1.00 0.00 C ATOM 576 OD1 ASN A 40 26.108 17.376 -6.649 1.00 0.00 O ATOM 577 ND2 ASN A 40 26.160 15.186 -7.032 1.00 0.00 N ATOM 0 H ASN A 40 24.320 16.984 -11.045 1.00 0.00 H new ATOM 0 HA ASN A 40 24.301 14.911 -8.998 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.289 16.319 -9.540 1.00 0.00 H new ATOM 0 HB3 ASN A 40 25.401 17.745 -9.042 1.00 0.00 H new ATOM 0 HD21 ASN A 40 26.471 14.995 -6.080 1.00 0.00 H new ATOM 0 HD22 ASN A 40 26.017 14.416 -7.686 1.00 0.00 H new ATOM 584 N ASP A 41 21.813 15.941 -8.621 1.00 0.00 N ATOM 585 CA ASP A 41 20.619 16.299 -7.861 1.00 0.00 C ATOM 586 C ASP A 41 20.627 15.660 -6.469 1.00 0.00 C ATOM 587 O ASP A 41 19.879 16.061 -5.585 1.00 0.00 O ATOM 588 CB ASP A 41 19.356 15.942 -8.657 1.00 0.00 C ATOM 589 CG ASP A 41 18.078 16.303 -7.902 1.00 0.00 C ATOM 590 OD1 ASP A 41 17.867 17.518 -7.696 1.00 0.00 O ATOM 591 OD2 ASP A 41 17.330 15.362 -7.556 1.00 0.00 O ATOM 0 H ASP A 41 21.643 15.265 -9.366 1.00 0.00 H new ATOM 0 HA ASP A 41 20.619 17.378 -7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.371 16.465 -9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.357 14.874 -8.877 1.00 0.00 H new ATOM 596 N PHE A 42 21.495 14.671 -6.270 1.00 0.00 N ATOM 597 CA PHE A 42 21.534 13.786 -5.121 1.00 0.00 C ATOM 598 C PHE A 42 22.827 14.068 -4.361 1.00 0.00 C ATOM 599 O PHE A 42 23.554 13.148 -3.998 1.00 0.00 O ATOM 600 CB PHE A 42 21.490 12.347 -5.650 1.00 0.00 C ATOM 601 CG PHE A 42 20.362 12.070 -6.641 1.00 0.00 C ATOM 602 CD1 PHE A 42 20.449 12.520 -7.978 1.00 0.00 C ATOM 603 CD2 PHE A 42 19.239 11.321 -6.244 1.00 0.00 C ATOM 604 CE1 PHE A 42 19.442 12.206 -8.905 1.00 0.00 C ATOM 605 CE2 PHE A 42 18.235 11.004 -7.176 1.00 0.00 C ATOM 606 CZ PHE A 42 18.324 11.464 -8.498 1.00 0.00 C ATOM 0 H PHE A 42 22.228 14.458 -6.947 1.00 0.00 H new ATOM 0 HA PHE A 42 20.694 13.938 -4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 42 22.442 12.121 -6.130 1.00 0.00 H new ATOM 0 HB3 PHE A 42 21.389 11.666 -4.805 1.00 0.00 H new ATOM 0 HD1 PHE A 42 21.298 13.111 -8.290 1.00 0.00 H new ATOM 0 HD2 PHE A 42 19.148 10.989 -5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 42 19.529 12.536 -9.930 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.391 10.403 -6.872 1.00 0.00 H new ATOM 0 HZ PHE A 42 17.533 11.247 -9.201 1.00 0.00 H new ATOM 616 N SER A 43 23.142 15.354 -4.196 1.00 0.00 N ATOM 617 CA SER A 43 24.425 15.814 -3.701 1.00 0.00 C ATOM 618 C SER A 43 24.665 15.295 -2.287 1.00 0.00 C ATOM 619 O SER A 43 25.610 14.545 -2.048 1.00 0.00 O ATOM 620 CB SER A 43 24.450 17.344 -3.782 1.00 0.00 C ATOM 621 OG SER A 43 23.344 17.881 -3.073 1.00 0.00 O ATOM 0 H SER A 43 22.495 16.113 -4.409 1.00 0.00 H new ATOM 0 HA SER A 43 25.239 15.424 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 43 25.382 17.724 -3.363 1.00 0.00 H new ATOM 0 HB3 SER A 43 24.415 17.663 -4.824 1.00 0.00 H new ATOM 0 HG SER A 43 23.365 18.859 -3.126 1.00 0.00 H new ATOM 627 N GLN A 44 23.807 15.711 -1.353 1.00 0.00 N ATOM 628 CA GLN A 44 23.877 15.289 0.038 1.00 0.00 C ATOM 629 C GLN A 44 22.560 15.528 0.783 1.00 0.00 C ATOM 630 O GLN A 44 21.976 14.595 1.342 1.00 0.00 O ATOM 631 CB GLN A 44 25.118 15.876 0.751 1.00 0.00 C ATOM 632 CG GLN A 44 25.680 17.222 0.253 1.00 0.00 C ATOM 633 CD GLN A 44 24.741 18.392 0.499 1.00 0.00 C ATOM 634 OE1 GLN A 44 24.686 18.922 1.602 1.00 0.00 O ATOM 635 NE2 GLN A 44 23.968 18.792 -0.506 1.00 0.00 N ATOM 0 H GLN A 44 23.040 16.355 -1.547 1.00 0.00 H new ATOM 0 HA GLN A 44 24.015 14.208 0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 44 24.872 15.989 1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.918 15.138 0.687 1.00 0.00 H new ATOM 0 HG2 GLN A 44 26.631 17.417 0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 44 25.887 17.149 -0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 44 24.034 18.333 -1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 44 23.309 19.558 -0.369 1.00 0.00 H new ATOM 644 N THR A 45 22.066 16.766 0.774 1.00 0.00 N ATOM 645 CA THR A 45 20.843 17.164 1.440 1.00 0.00 C ATOM 646 C THR A 45 19.684 16.329 0.912 1.00 0.00 C ATOM 647 O THR A 45 18.969 15.711 1.690 1.00 0.00 O ATOM 648 CB THR A 45 20.612 18.666 1.208 1.00 0.00 C ATOM 649 OG1 THR A 45 21.176 19.061 -0.034 1.00 0.00 O ATOM 650 CG2 THR A 45 21.259 19.493 2.320 1.00 0.00 C ATOM 0 H THR A 45 22.525 17.536 0.287 1.00 0.00 H new ATOM 0 HA THR A 45 20.918 16.991 2.514 1.00 0.00 H new ATOM 0 HB THR A 45 19.536 18.841 1.204 1.00 0.00 H new ATOM 0 HG1 THR A 45 21.023 20.019 -0.173 1.00 0.00 H new ATOM 0 HG21 THR A 45 21.083 20.553 2.135 1.00 0.00 H new ATOM 0 HG22 THR A 45 20.824 19.215 3.280 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.332 19.302 2.339 1.00 0.00 H new ATOM 658 N THR A 46 19.506 16.289 -0.404 1.00 0.00 N ATOM 659 CA THR A 46 18.443 15.551 -1.061 1.00 0.00 C ATOM 660 C THR A 46 18.446 14.074 -0.656 1.00 0.00 C ATOM 661 O THR A 46 17.420 13.548 -0.233 1.00 0.00 O ATOM 662 CB THR A 46 18.611 15.749 -2.571 1.00 0.00 C ATOM 663 OG1 THR A 46 19.994 15.786 -2.867 1.00 0.00 O ATOM 664 CG2 THR A 46 17.995 17.086 -2.998 1.00 0.00 C ATOM 0 H THR A 46 20.115 16.783 -1.057 1.00 0.00 H new ATOM 0 HA THR A 46 17.468 15.928 -0.751 1.00 0.00 H new ATOM 0 HB THR A 46 18.117 14.933 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.120 15.979 -3.820 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.120 17.217 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 46 16.933 17.092 -2.752 1.00 0.00 H new ATOM 0 HG23 THR A 46 18.494 17.901 -2.473 1.00 0.00 H new ATOM 672 N ILE A 47 19.595 13.402 -0.760 1.00 0.00 N ATOM 673 CA ILE A 47 19.720 11.999 -0.369 1.00 0.00 C ATOM 674 C ILE A 47 19.367 11.815 1.115 1.00 0.00 C ATOM 675 O ILE A 47 18.564 10.947 1.456 1.00 0.00 O ATOM 676 CB ILE A 47 21.105 11.456 -0.788 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.084 11.050 -2.267 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.623 10.302 0.083 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.387 9.719 -2.568 1.00 0.00 C ATOM 0 H ILE A 47 20.458 13.813 -1.115 1.00 0.00 H new ATOM 0 HA ILE A 47 18.993 11.388 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 47 21.809 12.274 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.590 11.837 -2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.111 10.993 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.600 9.982 -0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.712 10.638 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.925 9.466 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.426 9.522 -3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.892 8.915 -2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.347 9.772 -2.246 1.00 0.00 H new ATOM 691 N SER A 48 19.901 12.658 2.001 1.00 0.00 N ATOM 692 CA SER A 48 19.538 12.599 3.414 1.00 0.00 C ATOM 693 C SER A 48 18.017 12.744 3.593 1.00 0.00 C ATOM 694 O SER A 48 17.360 11.944 4.262 1.00 0.00 O ATOM 695 CB SER A 48 20.298 13.684 4.184 1.00 0.00 C ATOM 696 OG SER A 48 21.687 13.585 3.929 1.00 0.00 O ATOM 0 H SER A 48 20.580 13.382 1.766 1.00 0.00 H new ATOM 0 HA SER A 48 19.820 11.626 3.817 1.00 0.00 H new ATOM 0 HB2 SER A 48 19.937 14.669 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.109 13.581 5.253 1.00 0.00 H new ATOM 0 HG SER A 48 21.893 14.008 3.069 1.00 0.00 H new ATOM 702 N ARG A 49 17.455 13.778 2.967 1.00 0.00 N ATOM 703 CA ARG A 49 16.043 14.108 3.018 1.00 0.00 C ATOM 704 C ARG A 49 15.185 12.988 2.427 1.00 0.00 C ATOM 705 O ARG A 49 14.053 12.806 2.868 1.00 0.00 O ATOM 706 CB ARG A 49 15.796 15.452 2.323 1.00 0.00 C ATOM 707 CG ARG A 49 16.353 16.607 3.171 1.00 0.00 C ATOM 708 CD ARG A 49 16.236 17.944 2.433 1.00 0.00 C ATOM 709 NE ARG A 49 14.851 18.429 2.447 1.00 0.00 N ATOM 710 CZ ARG A 49 14.399 19.513 1.806 1.00 0.00 C ATOM 711 NH1 ARG A 49 15.193 20.212 0.988 1.00 0.00 N ATOM 712 NH2 ARG A 49 13.133 19.885 2.013 1.00 0.00 N ATOM 0 H ARG A 49 17.994 14.427 2.393 1.00 0.00 H new ATOM 0 HA ARG A 49 15.743 14.207 4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.269 15.453 1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.727 15.594 2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 49 15.812 16.662 4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 49 17.398 16.413 3.413 1.00 0.00 H new ATOM 0 HD2 ARG A 49 16.889 18.681 2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 49 16.574 17.827 1.404 1.00 0.00 H new ATOM 0 HE ARG A 49 14.175 17.894 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.160 19.921 0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.832 21.036 0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.540 19.347 2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.759 20.707 1.539 1.00 0.00 H new ATOM 726 N PHE A 50 15.706 12.231 1.456 1.00 0.00 N ATOM 727 CA PHE A 50 15.035 11.059 0.913 1.00 0.00 C ATOM 728 C PHE A 50 14.829 10.027 2.013 1.00 0.00 C ATOM 729 O PHE A 50 13.697 9.646 2.300 1.00 0.00 O ATOM 730 CB PHE A 50 15.863 10.447 -0.219 1.00 0.00 C ATOM 731 CG PHE A 50 15.222 9.288 -0.962 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.878 9.345 -1.376 1.00 0.00 C ATOM 733 CD2 PHE A 50 16.028 8.209 -1.370 1.00 0.00 C ATOM 734 CE1 PHE A 50 13.366 8.373 -2.252 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.507 7.218 -2.216 1.00 0.00 C ATOM 736 CZ PHE A 50 14.188 7.323 -2.689 1.00 0.00 C ATOM 0 H PHE A 50 16.611 12.421 1.026 1.00 0.00 H new ATOM 0 HA PHE A 50 14.067 11.364 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.093 11.232 -0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.812 10.107 0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.238 10.138 -1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 50 17.051 8.143 -1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.342 8.434 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 50 16.119 6.376 -2.503 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.807 6.595 -3.390 1.00 0.00 H new ATOM 746 N GLU A 51 15.922 9.601 2.654 1.00 0.00 N ATOM 747 CA GLU A 51 15.823 8.665 3.773 1.00 0.00 C ATOM 748 C GLU A 51 14.966 9.233 4.910 1.00 0.00 C ATOM 749 O GLU A 51 14.318 8.463 5.613 1.00 0.00 O ATOM 750 CB GLU A 51 17.198 8.205 4.283 1.00 0.00 C ATOM 751 CG GLU A 51 17.828 7.111 3.404 1.00 0.00 C ATOM 752 CD GLU A 51 18.549 7.690 2.192 1.00 0.00 C ATOM 753 OE1 GLU A 51 19.668 8.211 2.397 1.00 0.00 O ATOM 754 OE2 GLU A 51 17.979 7.593 1.086 1.00 0.00 O ATOM 0 H GLU A 51 16.873 9.886 2.420 1.00 0.00 H new ATOM 0 HA GLU A 51 15.320 7.778 3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.870 9.062 4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.095 7.831 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.532 6.529 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.051 6.425 3.068 1.00 0.00 H new ATOM 761 N ALA A 52 14.941 10.557 5.099 1.00 0.00 N ATOM 762 CA ALA A 52 14.045 11.191 6.069 1.00 0.00 C ATOM 763 C ALA A 52 12.605 11.366 5.552 1.00 0.00 C ATOM 764 O ALA A 52 11.740 11.794 6.311 1.00 0.00 O ATOM 765 CB ALA A 52 14.625 12.542 6.492 1.00 0.00 C ATOM 0 H ALA A 52 15.535 11.212 4.590 1.00 0.00 H new ATOM 0 HA ALA A 52 13.979 10.521 6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.959 13.014 7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.604 12.391 6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.726 13.184 5.617 1.00 0.00 H new ATOM 771 N LEU A 53 12.344 11.084 4.270 1.00 0.00 N ATOM 772 CA LEU A 53 11.093 11.354 3.566 1.00 0.00 C ATOM 773 C LEU A 53 10.624 12.802 3.757 1.00 0.00 C ATOM 774 O LEU A 53 9.428 13.075 3.843 1.00 0.00 O ATOM 775 CB LEU A 53 10.000 10.331 3.920 1.00 0.00 C ATOM 776 CG LEU A 53 10.321 8.909 3.424 1.00 0.00 C ATOM 777 CD1 LEU A 53 11.083 8.129 4.502 1.00 0.00 C ATOM 778 CD2 LEU A 53 9.026 8.151 3.098 1.00 0.00 C ATOM 0 H LEU A 53 13.037 10.639 3.669 1.00 0.00 H new ATOM 0 HA LEU A 53 11.296 11.234 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.866 10.311 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.053 10.655 3.488 1.00 0.00 H new ATOM 0 HG LEU A 53 10.934 8.996 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.303 7.126 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.015 8.644 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.473 8.062 5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.270 7.148 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.409 8.083 3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.479 8.683 2.320 1.00 0.00 H new ATOM 790 N ASN A 54 11.566 13.746 3.795 1.00 0.00 N ATOM 791 CA ASN A 54 11.257 15.144 4.070 1.00 0.00 C ATOM 792 C ASN A 54 10.726 15.865 2.829 1.00 0.00 C ATOM 793 O ASN A 54 9.916 16.781 2.943 1.00 0.00 O ATOM 794 CB ASN A 54 12.489 15.851 4.635 1.00 0.00 C ATOM 795 CG ASN A 54 12.196 17.326 4.887 1.00 0.00 C ATOM 796 OD1 ASN A 54 12.518 18.173 4.060 1.00 0.00 O ATOM 797 ND2 ASN A 54 11.586 17.649 6.022 1.00 0.00 N ATOM 0 H ASN A 54 12.557 13.562 3.637 1.00 0.00 H new ATOM 0 HA ASN A 54 10.463 15.174 4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.795 15.372 5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.321 15.754 3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.372 18.625 6.226 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.331 16.921 6.689 1.00 0.00 H new ATOM 804 N LEU A 55 11.177 15.467 1.637 1.00 0.00 N ATOM 805 CA LEU A 55 10.828 16.122 0.377 1.00 0.00 C ATOM 806 C LEU A 55 9.430 15.701 -0.111 1.00 0.00 C ATOM 807 O LEU A 55 9.274 15.271 -1.254 1.00 0.00 O ATOM 808 CB LEU A 55 11.924 15.815 -0.656 1.00 0.00 C ATOM 809 CG LEU A 55 13.196 16.647 -0.442 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.384 15.952 -1.112 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.038 18.049 -1.046 1.00 0.00 C ATOM 0 H LEU A 55 11.803 14.670 1.520 1.00 0.00 H new ATOM 0 HA LEU A 55 10.777 17.201 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.176 14.756 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.536 16.004 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 55 13.368 16.738 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.286 16.545 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.521 14.963 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.192 15.853 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.951 18.621 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.849 17.965 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.201 18.558 -0.569 1.00 0.00 H new ATOM 823 N SER A 56 8.429 15.853 0.765 1.00 0.00 N ATOM 824 CA SER A 56 7.015 15.511 0.654 1.00 0.00 C ATOM 825 C SER A 56 6.543 14.988 -0.707 1.00 0.00 C ATOM 826 O SER A 56 5.787 15.666 -1.401 1.00 0.00 O ATOM 827 CB SER A 56 6.207 16.735 1.094 1.00 0.00 C ATOM 828 OG SER A 56 6.722 17.194 2.329 1.00 0.00 O ATOM 0 H SER A 56 8.620 16.269 1.676 1.00 0.00 H new ATOM 0 HA SER A 56 6.849 14.652 1.305 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.271 17.521 0.342 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.153 16.476 1.196 1.00 0.00 H new ATOM 0 HG SER A 56 6.215 17.980 2.623 1.00 0.00 H new ATOM 834 N PHE A 57 6.938 13.758 -1.051 1.00 0.00 N ATOM 835 CA PHE A 57 6.533 13.006 -2.233 1.00 0.00 C ATOM 836 C PHE A 57 7.022 13.604 -3.559 1.00 0.00 C ATOM 837 O PHE A 57 7.688 12.918 -4.328 1.00 0.00 O ATOM 838 CB PHE A 57 5.021 12.748 -2.244 1.00 0.00 C ATOM 839 CG PHE A 57 4.612 11.739 -3.298 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.966 10.387 -3.135 1.00 0.00 C ATOM 841 CD2 PHE A 57 4.000 12.162 -4.495 1.00 0.00 C ATOM 842 CE1 PHE A 57 4.709 9.462 -4.160 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.720 11.229 -5.509 1.00 0.00 C ATOM 844 CZ PHE A 57 4.072 9.878 -5.341 1.00 0.00 C ATOM 0 H PHE A 57 7.591 13.231 -0.471 1.00 0.00 H new ATOM 0 HA PHE A 57 7.041 12.045 -2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.710 12.390 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.497 13.687 -2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.436 10.060 -2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.746 13.203 -4.633 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.002 8.429 -4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.234 11.550 -6.418 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.853 9.161 -6.119 1.00 0.00 H new ATOM 854 N LYS A 58 6.671 14.859 -3.850 1.00 0.00 N ATOM 855 CA LYS A 58 6.863 15.515 -5.137 1.00 0.00 C ATOM 856 C LYS A 58 8.232 15.240 -5.772 1.00 0.00 C ATOM 857 O LYS A 58 8.306 14.770 -6.906 1.00 0.00 O ATOM 858 CB LYS A 58 6.550 17.015 -5.003 1.00 0.00 C ATOM 859 CG LYS A 58 7.417 17.762 -3.973 1.00 0.00 C ATOM 860 CD LYS A 58 6.812 19.103 -3.530 1.00 0.00 C ATOM 861 CE LYS A 58 6.684 20.139 -4.656 1.00 0.00 C ATOM 862 NZ LYS A 58 5.463 19.949 -5.461 1.00 0.00 N ATOM 0 H LYS A 58 6.227 15.468 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 58 6.157 15.077 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.678 17.488 -5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.502 17.131 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.557 17.128 -3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.404 17.940 -4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.825 18.921 -3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.429 19.522 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.679 21.140 -4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.557 20.075 -5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.725 19.689 -6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.886 19.191 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.915 20.833 -5.475 1.00 0.00 H new ATOM 876 N ASN A 59 9.322 15.528 -5.054 1.00 0.00 N ATOM 877 CA ASN A 59 10.667 15.277 -5.565 1.00 0.00 C ATOM 878 C ASN A 59 10.948 13.783 -5.522 1.00 0.00 C ATOM 879 O ASN A 59 11.491 13.215 -6.470 1.00 0.00 O ATOM 880 CB ASN A 59 11.707 16.005 -4.708 1.00 0.00 C ATOM 881 CG ASN A 59 13.085 16.145 -5.363 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.810 17.079 -5.043 1.00 0.00 O ATOM 883 ND2 ASN A 59 13.486 15.248 -6.263 1.00 0.00 N ATOM 0 H ASN A 59 9.296 15.934 -4.119 1.00 0.00 H new ATOM 0 HA ASN A 59 10.729 15.643 -6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.330 16.999 -4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.820 15.471 -3.765 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.406 15.334 -6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.873 14.475 -6.521 1.00 0.00 H new ATOM 890 N MET A 60 10.628 13.178 -4.379 1.00 0.00 N ATOM 891 CA MET A 60 10.930 11.795 -4.046 1.00 0.00 C ATOM 892 C MET A 60 10.480 10.848 -5.154 1.00 0.00 C ATOM 893 O MET A 60 11.203 9.928 -5.519 1.00 0.00 O ATOM 894 CB MET A 60 10.288 11.432 -2.703 1.00 0.00 C ATOM 895 CG MET A 60 10.856 12.287 -1.561 1.00 0.00 C ATOM 896 SD MET A 60 9.956 12.213 0.005 1.00 0.00 S ATOM 897 CE MET A 60 9.828 10.429 0.210 1.00 0.00 C ATOM 0 H MET A 60 10.131 13.662 -3.632 1.00 0.00 H new ATOM 0 HA MET A 60 12.011 11.686 -3.954 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.209 11.574 -2.764 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.459 10.377 -2.489 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.886 11.979 -1.381 1.00 0.00 H new ATOM 0 HG3 MET A 60 10.887 13.325 -1.891 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.375 10.205 1.176 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.209 10.015 -0.586 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.823 9.985 0.164 1.00 0.00 H new ATOM 907 N CYS A 61 9.295 11.089 -5.706 1.00 0.00 N ATOM 908 CA CYS A 61 8.721 10.284 -6.772 1.00 0.00 C ATOM 909 C CYS A 61 9.539 10.348 -8.066 1.00 0.00 C ATOM 910 O CYS A 61 9.556 9.385 -8.825 1.00 0.00 O ATOM 911 CB CYS A 61 7.279 10.742 -6.994 1.00 0.00 C ATOM 912 SG CYS A 61 6.511 9.752 -8.294 1.00 0.00 S ATOM 0 H CYS A 61 8.698 11.864 -5.418 1.00 0.00 H new ATOM 0 HA CYS A 61 8.738 9.236 -6.472 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.711 10.646 -6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.262 11.796 -7.270 1.00 0.00 H new ATOM 0 HG CYS A 61 7.426 9.076 -8.923 1.00 0.00 H new ATOM 917 N LYS A 62 10.248 11.454 -8.312 1.00 0.00 N ATOM 918 CA LYS A 62 11.155 11.573 -9.450 1.00 0.00 C ATOM 919 C LYS A 62 12.502 10.934 -9.097 1.00 0.00 C ATOM 920 O LYS A 62 13.091 10.190 -9.877 1.00 0.00 O ATOM 921 CB LYS A 62 11.338 13.052 -9.825 1.00 0.00 C ATOM 922 CG LYS A 62 9.995 13.775 -9.985 1.00 0.00 C ATOM 923 CD LYS A 62 10.220 15.182 -10.550 1.00 0.00 C ATOM 924 CE LYS A 62 8.913 15.982 -10.596 1.00 0.00 C ATOM 925 NZ LYS A 62 8.463 16.380 -9.249 1.00 0.00 N ATOM 0 H LYS A 62 10.207 12.289 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 62 10.732 11.053 -10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.929 13.550 -9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.901 13.123 -10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.344 13.207 -10.650 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.490 13.838 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.950 15.710 -9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.640 15.110 -11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.054 16.872 -11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.138 15.384 -11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.543 16.859 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.369 15.535 -8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.160 17.027 -8.827 1.00 0.00 H new ATOM 939 N LEU A 63 12.988 11.243 -7.896 1.00 0.00 N ATOM 940 CA LEU A 63 14.263 10.780 -7.372 1.00 0.00 C ATOM 941 C LEU A 63 14.345 9.249 -7.286 1.00 0.00 C ATOM 942 O LEU A 63 15.322 8.653 -7.740 1.00 0.00 O ATOM 943 CB LEU A 63 14.606 11.610 -6.112 1.00 0.00 C ATOM 944 CG LEU A 63 14.674 10.954 -4.722 1.00 0.00 C ATOM 945 CD1 LEU A 63 15.904 10.070 -4.531 1.00 0.00 C ATOM 946 CD2 LEU A 63 14.756 12.085 -3.683 1.00 0.00 C ATOM 0 H LEU A 63 12.485 11.843 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 63 15.081 10.973 -8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.574 12.077 -6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.872 12.413 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 63 13.792 10.323 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.890 9.639 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.896 9.270 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.806 10.670 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.806 11.657 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.648 12.684 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.872 12.718 -3.763 1.00 0.00 H new ATOM 958 N LYS A 64 13.310 8.602 -6.746 1.00 0.00 N ATOM 959 CA LYS A 64 13.300 7.160 -6.534 1.00 0.00 C ATOM 960 C LYS A 64 13.582 6.346 -7.806 1.00 0.00 C ATOM 961 O LYS A 64 14.529 5.562 -7.797 1.00 0.00 O ATOM 962 CB LYS A 64 12.030 6.717 -5.792 1.00 0.00 C ATOM 963 CG LYS A 64 12.114 5.235 -5.390 1.00 0.00 C ATOM 964 CD LYS A 64 11.380 4.294 -6.354 1.00 0.00 C ATOM 965 CE LYS A 64 11.810 2.850 -6.070 1.00 0.00 C ATOM 966 NZ LYS A 64 11.149 1.899 -6.978 1.00 0.00 N ATOM 0 H LYS A 64 12.455 9.068 -6.444 1.00 0.00 H new ATOM 0 HA LYS A 64 14.144 6.933 -5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.892 7.331 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.159 6.876 -6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.162 4.941 -5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.697 5.114 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.302 4.396 -6.231 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.610 4.559 -7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.891 2.764 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.570 2.595 -5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.740 1.049 -7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.223 1.632 -6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.017 2.343 -7.909 1.00 0.00 H new ATOM 980 N PRO A 65 12.806 6.466 -8.897 1.00 0.00 N ATOM 981 CA PRO A 65 13.055 5.695 -10.104 1.00 0.00 C ATOM 982 C PRO A 65 14.446 5.981 -10.675 1.00 0.00 C ATOM 983 O PRO A 65 15.089 5.073 -11.197 1.00 0.00 O ATOM 984 CB PRO A 65 11.930 6.044 -11.082 1.00 0.00 C ATOM 985 CG PRO A 65 11.432 7.400 -10.588 1.00 0.00 C ATOM 986 CD PRO A 65 11.637 7.307 -9.077 1.00 0.00 C ATOM 0 HA PRO A 65 13.052 4.625 -9.898 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.294 6.100 -12.108 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.138 5.296 -11.065 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.000 8.222 -11.023 1.00 0.00 H new ATOM 0 HG3 PRO A 65 10.385 7.564 -10.845 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.792 8.294 -8.640 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.764 6.875 -8.588 1.00 0.00 H new ATOM 994 N LEU A 66 14.935 7.221 -10.562 1.00 0.00 N ATOM 995 CA LEU A 66 16.255 7.572 -11.074 1.00 0.00 C ATOM 996 C LEU A 66 17.281 6.751 -10.276 1.00 0.00 C ATOM 997 O LEU A 66 18.185 6.149 -10.862 1.00 0.00 O ATOM 998 CB LEU A 66 16.492 9.084 -10.909 1.00 0.00 C ATOM 999 CG LEU A 66 16.514 9.833 -12.252 1.00 0.00 C ATOM 1000 CD1 LEU A 66 15.120 9.809 -12.892 1.00 0.00 C ATOM 1001 CD2 LEU A 66 16.923 11.296 -12.043 1.00 0.00 C ATOM 0 H LEU A 66 14.435 7.993 -10.121 1.00 0.00 H new ATOM 0 HA LEU A 66 16.346 7.346 -12.136 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.709 9.503 -10.277 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.438 9.245 -10.393 1.00 0.00 H new ATOM 0 HG LEU A 66 17.235 9.337 -12.902 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.147 10.342 -13.842 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.816 8.776 -13.064 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.405 10.291 -12.225 1.00 0.00 H new ATOM 0 HD21 LEU A 66 16.934 11.812 -13.003 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.209 11.782 -11.378 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.918 11.336 -11.599 1.00 0.00 H new ATOM 1013 N LEU A 67 17.134 6.693 -8.945 1.00 0.00 N ATOM 1014 CA LEU A 67 17.963 5.838 -8.112 1.00 0.00 C ATOM 1015 C LEU A 67 17.775 4.358 -8.437 1.00 0.00 C ATOM 1016 O LEU A 67 18.747 3.613 -8.418 1.00 0.00 O ATOM 1017 CB LEU A 67 17.692 6.075 -6.626 1.00 0.00 C ATOM 1018 CG LEU A 67 18.166 7.430 -6.093 1.00 0.00 C ATOM 1019 CD1 LEU A 67 18.117 7.419 -4.572 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.559 7.834 -6.576 1.00 0.00 C ATOM 0 H LEU A 67 16.442 7.235 -8.428 1.00 0.00 H new ATOM 0 HA LEU A 67 18.996 6.106 -8.333 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.620 5.986 -6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.177 5.285 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 67 17.485 8.181 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.454 8.383 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 67 17.094 7.236 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.767 6.631 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.823 8.804 -6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.286 7.089 -6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.563 7.897 -7.664 1.00 0.00 H new ATOM 1032 N GLU A 68 16.549 3.908 -8.706 1.00 0.00 N ATOM 1033 CA GLU A 68 16.288 2.516 -9.054 1.00 0.00 C ATOM 1034 C GLU A 68 17.094 2.145 -10.303 1.00 0.00 C ATOM 1035 O GLU A 68 17.822 1.154 -10.315 1.00 0.00 O ATOM 1036 CB GLU A 68 14.778 2.302 -9.250 1.00 0.00 C ATOM 1037 CG GLU A 68 14.388 0.821 -9.344 1.00 0.00 C ATOM 1038 CD GLU A 68 14.534 0.098 -8.007 1.00 0.00 C ATOM 1039 OE1 GLU A 68 13.565 0.162 -7.219 1.00 0.00 O ATOM 1040 OE2 GLU A 68 15.613 -0.495 -7.791 1.00 0.00 O ATOM 0 H GLU A 68 15.716 4.496 -8.688 1.00 0.00 H new ATOM 0 HA GLU A 68 16.606 1.858 -8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.241 2.761 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.459 2.814 -10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.357 0.740 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.012 0.330 -10.090 1.00 0.00 H new ATOM 1047 N LYS A 69 16.991 2.971 -11.347 1.00 0.00 N ATOM 1048 CA LYS A 69 17.763 2.815 -12.569 1.00 0.00 C ATOM 1049 C LYS A 69 19.264 2.832 -12.255 1.00 0.00 C ATOM 1050 O LYS A 69 19.996 1.952 -12.708 1.00 0.00 O ATOM 1051 CB LYS A 69 17.340 3.901 -13.569 1.00 0.00 C ATOM 1052 CG LYS A 69 18.166 3.866 -14.862 1.00 0.00 C ATOM 1053 CD LYS A 69 17.641 4.913 -15.851 1.00 0.00 C ATOM 1054 CE LYS A 69 18.518 4.945 -17.106 1.00 0.00 C ATOM 1055 NZ LYS A 69 18.050 5.963 -18.062 1.00 0.00 N ATOM 0 H LYS A 69 16.361 3.773 -11.362 1.00 0.00 H new ATOM 0 HA LYS A 69 17.561 1.848 -13.030 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.285 3.775 -13.813 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.444 4.880 -13.102 1.00 0.00 H new ATOM 0 HG2 LYS A 69 19.215 4.060 -14.638 1.00 0.00 H new ATOM 0 HG3 LYS A 69 18.114 2.873 -15.309 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.612 4.681 -16.124 1.00 0.00 H new ATOM 0 HD3 LYS A 69 17.632 5.896 -15.380 1.00 0.00 H new ATOM 0 HE2 LYS A 69 19.550 5.154 -16.825 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.510 3.965 -17.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.664 5.960 -18.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.073 5.748 -18.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.081 6.901 -17.614 1.00 0.00 H new ATOM 1069 N TRP A 70 19.725 3.804 -11.458 1.00 0.00 N ATOM 1070 CA TRP A 70 21.113 3.825 -11.005 1.00 0.00 C ATOM 1071 C TRP A 70 21.485 2.490 -10.357 1.00 0.00 C ATOM 1072 O TRP A 70 22.564 1.968 -10.613 1.00 0.00 O ATOM 1073 CB TRP A 70 21.373 4.994 -10.044 1.00 0.00 C ATOM 1074 CG TRP A 70 22.735 5.006 -9.412 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.787 5.746 -9.818 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.215 4.239 -8.265 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.893 5.432 -9.056 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.602 4.505 -8.082 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.616 3.347 -7.355 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.363 3.885 -7.081 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.362 2.726 -6.340 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.736 2.973 -6.218 1.00 0.00 C ATOM 0 H TRP A 70 19.157 4.580 -11.117 1.00 0.00 H new ATOM 0 HA TRP A 70 21.748 3.973 -11.878 1.00 0.00 H new ATOM 0 HB2 TRP A 70 21.233 5.929 -10.587 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.623 4.969 -9.254 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.767 6.473 -10.617 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.817 5.839 -9.198 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.560 3.136 -7.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.415 4.106 -6.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 22.874 2.054 -5.649 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.312 2.462 -5.461 1.00 0.00 H new ATOM 1093 N LEU A 71 20.610 1.934 -9.520 1.00 0.00 N ATOM 1094 CA LEU A 71 20.884 0.695 -8.811 1.00 0.00 C ATOM 1095 C LEU A 71 21.014 -0.438 -9.824 1.00 0.00 C ATOM 1096 O LEU A 71 21.963 -1.216 -9.767 1.00 0.00 O ATOM 1097 CB LEU A 71 19.788 0.398 -7.768 1.00 0.00 C ATOM 1098 CG LEU A 71 20.334 0.350 -6.333 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.171 0.149 -5.356 1.00 0.00 C ATOM 1100 CD2 LEU A 71 21.352 -0.780 -6.134 1.00 0.00 C ATOM 0 H LEU A 71 19.693 2.333 -9.318 1.00 0.00 H new ATOM 0 HA LEU A 71 21.822 0.791 -8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.014 1.163 -7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.315 -0.555 -8.005 1.00 0.00 H new ATOM 0 HG LEU A 71 20.843 1.295 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 71 19.554 0.114 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.468 0.977 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.662 -0.787 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 71 21.708 -0.772 -5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.878 -1.738 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.194 -0.634 -6.810 1.00 0.00 H new ATOM 1112 N ASN A 72 20.075 -0.513 -10.770 1.00 0.00 N ATOM 1113 CA ASN A 72 20.107 -1.497 -11.845 1.00 0.00 C ATOM 1114 C ASN A 72 21.416 -1.393 -12.632 1.00 0.00 C ATOM 1115 O ASN A 72 21.962 -2.415 -13.040 1.00 0.00 O ATOM 1116 CB ASN A 72 18.894 -1.308 -12.768 1.00 0.00 C ATOM 1117 CG ASN A 72 18.556 -2.530 -13.628 1.00 0.00 C ATOM 1118 OD1 ASN A 72 17.387 -2.757 -13.923 1.00 0.00 O ATOM 1119 ND2 ASN A 72 19.527 -3.339 -14.048 1.00 0.00 N ATOM 0 H ASN A 72 19.269 0.111 -10.809 1.00 0.00 H new ATOM 0 HA ASN A 72 20.057 -2.495 -11.410 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.026 -1.056 -12.159 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.081 -0.458 -13.424 1.00 0.00 H new ATOM 0 HD21 ASN A 72 19.301 -4.154 -14.619 1.00 0.00 H new ATOM 0 HD22 ASN A 72 20.497 -3.144 -13.799 1.00 0.00 H new ATOM 1126 N ASP A 73 21.898 -0.172 -12.876 1.00 0.00 N ATOM 1127 CA ASP A 73 23.145 0.059 -13.596 1.00 0.00 C ATOM 1128 C ASP A 73 24.364 -0.357 -12.760 1.00 0.00 C ATOM 1129 O ASP A 73 25.179 -1.165 -13.195 1.00 0.00 O ATOM 1130 CB ASP A 73 23.227 1.537 -14.002 1.00 0.00 C ATOM 1131 CG ASP A 73 24.556 1.861 -14.675 1.00 0.00 C ATOM 1132 OD1 ASP A 73 24.689 1.506 -15.867 1.00 0.00 O ATOM 1133 OD2 ASP A 73 25.409 2.461 -13.988 1.00 0.00 O ATOM 0 H ASP A 73 21.431 0.684 -12.578 1.00 0.00 H new ATOM 0 HA ASP A 73 23.154 -0.560 -14.493 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.408 1.775 -14.680 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.103 2.165 -13.120 1.00 0.00 H new ATOM 1138 N ALA A 74 24.509 0.239 -11.576 1.00 0.00 N ATOM 1139 CA ALA A 74 25.697 0.138 -10.739 1.00 0.00 C ATOM 1140 C ALA A 74 25.799 -1.220 -10.044 1.00 0.00 C ATOM 1141 O ALA A 74 26.895 -1.745 -9.859 1.00 0.00 O ATOM 1142 CB ALA A 74 25.676 1.269 -9.706 1.00 0.00 C ATOM 0 H ALA A 74 23.780 0.821 -11.164 1.00 0.00 H new ATOM 0 HA ALA A 74 26.575 0.231 -11.378 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.562 1.202 -9.075 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.669 2.231 -10.219 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.782 1.181 -9.088 1.00 0.00 H new