USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.119 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 168:sc= 1.24 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0492 USER MOD Single : A 12 MET CE :methyl 150:sc= -2.53 (180deg=-3.51!) USER MOD Single : A 13 ASN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.196 K(o=-0.2,f=-2) USER MOD Single : A 28 SER OG : rot 82:sc= 0.502 USER MOD Single : A 29 SER OG : rot 73:sc= 1.28 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.0304 (180deg=-0.218) USER MOD Single : A 33 GLN : amide:sc= 0.159 X(o=0.16,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.041) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 39 HIS : no HD1:sc= 0.987 K(o=0.99,f=-3.8!) USER MOD Single : A 48 THR OG1 : rot 64:sc= 0.708 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.562 K(o=0.56,f=-7.3!) USER MOD Single : A 63 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.32) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.733 1.192 -14.539 1.00 0.00 N ATOM 2 CA GLY A 1 2.172 2.396 -15.181 1.00 0.00 C ATOM 3 C GLY A 1 0.746 2.176 -15.609 1.00 0.00 C ATOM 4 O GLY A 1 0.113 1.207 -15.178 1.00 0.00 O ATOM 0 H1 GLY A 1 3.114 1.442 -13.604 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.986 0.477 -14.428 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.496 0.806 -15.131 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.220 3.236 -14.488 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.777 2.663 -16.048 1.00 0.00 H new ATOM 10 N SER A 2 0.234 3.070 -16.457 1.00 0.00 N ATOM 11 CA SER A 2 -1.136 2.975 -16.964 1.00 0.00 C ATOM 12 C SER A 2 -2.136 2.979 -15.801 1.00 0.00 C ATOM 13 O SER A 2 -3.089 2.192 -15.775 1.00 0.00 O ATOM 14 CB SER A 2 -1.293 1.703 -17.806 1.00 0.00 C ATOM 15 OG SER A 2 -0.222 1.575 -18.737 1.00 0.00 O ATOM 0 H SER A 2 0.753 3.874 -16.809 1.00 0.00 H new ATOM 0 HA SER A 2 -1.342 3.840 -17.595 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.319 0.831 -17.153 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.243 1.730 -18.340 1.00 0.00 H new ATOM 0 HG SER A 2 -0.341 0.756 -19.262 1.00 0.00 H new ATOM 21 N ALA A 3 -1.919 3.892 -14.858 1.00 0.00 N ATOM 22 CA ALA A 3 -2.744 3.992 -13.661 1.00 0.00 C ATOM 23 C ALA A 3 -2.430 5.272 -12.903 1.00 0.00 C ATOM 24 O ALA A 3 -1.453 5.963 -13.210 1.00 0.00 O ATOM 25 CB ALA A 3 -2.518 2.784 -12.758 1.00 0.00 C ATOM 0 H ALA A 3 -1.168 4.581 -14.903 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.790 4.013 -13.967 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.141 2.873 -11.868 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.782 1.873 -13.296 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.469 2.741 -12.464 1.00 0.00 H new ATOM 31 N LEU A 4 -3.254 5.587 -11.917 1.00 0.00 N ATOM 32 CA LEU A 4 -3.034 6.775 -11.100 1.00 0.00 C ATOM 33 C LEU A 4 -1.913 6.542 -10.097 1.00 0.00 C ATOM 34 O LEU A 4 -1.302 7.488 -9.604 1.00 0.00 O ATOM 35 CB LEU A 4 -4.313 7.192 -10.354 1.00 0.00 C ATOM 36 CG LEU A 4 -4.697 6.357 -9.118 1.00 0.00 C ATOM 37 CD1 LEU A 4 -5.724 7.096 -8.279 1.00 0.00 C ATOM 38 CD2 LEU A 4 -5.243 4.997 -9.528 1.00 0.00 C ATOM 0 H LEU A 4 -4.078 5.042 -11.662 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.749 7.581 -11.776 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.201 8.230 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.144 7.159 -11.059 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.797 6.202 -8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.985 6.493 -7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.307 8.048 -7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.618 7.279 -8.876 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.507 4.427 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.130 5.133 -10.148 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.484 4.456 -10.094 1.00 0.00 H new ATOM 50 N ASP A 5 -1.636 5.289 -9.804 1.00 0.00 N ATOM 51 CA ASP A 5 -0.584 4.950 -8.866 1.00 0.00 C ATOM 52 C ASP A 5 0.236 3.780 -9.377 1.00 0.00 C ATOM 53 O ASP A 5 -0.260 2.937 -10.130 1.00 0.00 O ATOM 54 CB ASP A 5 -1.180 4.585 -7.498 1.00 0.00 C ATOM 55 CG ASP A 5 -1.915 3.252 -7.515 1.00 0.00 C ATOM 56 OD1 ASP A 5 -3.123 3.233 -7.824 1.00 0.00 O ATOM 57 OD2 ASP A 5 -1.286 2.215 -7.220 1.00 0.00 O ATOM 0 H ASP A 5 -2.125 4.487 -10.202 1.00 0.00 H new ATOM 0 HA ASP A 5 0.061 5.822 -8.761 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.382 4.546 -6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.868 5.371 -7.184 1.00 0.00 H new ATOM 62 N PHE A 6 1.499 3.751 -8.997 1.00 0.00 N ATOM 63 CA PHE A 6 2.372 2.644 -9.338 1.00 0.00 C ATOM 64 C PHE A 6 2.582 1.763 -8.113 1.00 0.00 C ATOM 65 O PHE A 6 2.860 0.569 -8.221 1.00 0.00 O ATOM 66 CB PHE A 6 3.717 3.146 -9.903 1.00 0.00 C ATOM 67 CG PHE A 6 4.587 3.889 -8.915 1.00 0.00 C ATOM 68 CD1 PHE A 6 4.245 5.159 -8.478 1.00 0.00 C ATOM 69 CD2 PHE A 6 5.750 3.310 -8.432 1.00 0.00 C ATOM 70 CE1 PHE A 6 5.043 5.835 -7.576 1.00 0.00 C ATOM 71 CE2 PHE A 6 6.553 3.983 -7.531 1.00 0.00 C ATOM 72 CZ PHE A 6 6.200 5.246 -7.103 1.00 0.00 C ATOM 0 H PHE A 6 1.946 4.486 -8.449 1.00 0.00 H new ATOM 0 HA PHE A 6 1.898 2.051 -10.120 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.275 2.291 -10.285 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.516 3.800 -10.751 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.344 5.626 -8.847 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.032 2.322 -8.764 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.763 6.823 -7.241 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.457 3.520 -7.162 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.827 5.774 -6.399 1.00 0.00 H new ATOM 82 N THR A 7 2.441 2.369 -6.951 1.00 0.00 N ATOM 83 CA THR A 7 2.568 1.673 -5.698 1.00 0.00 C ATOM 84 C THR A 7 1.312 1.855 -4.862 1.00 0.00 C ATOM 85 O THR A 7 0.678 2.913 -4.899 1.00 0.00 O ATOM 86 CB THR A 7 3.788 2.155 -4.900 1.00 0.00 C ATOM 87 OG1 THR A 7 3.872 3.583 -4.956 1.00 0.00 O ATOM 88 CG2 THR A 7 5.071 1.537 -5.435 1.00 0.00 C ATOM 0 H THR A 7 2.234 3.363 -6.855 1.00 0.00 H new ATOM 0 HA THR A 7 2.706 0.616 -5.927 1.00 0.00 H new ATOM 0 HB THR A 7 3.666 1.839 -3.864 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.523 3.899 -4.295 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.919 1.896 -4.851 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.011 0.451 -5.359 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.204 1.820 -6.479 1.00 0.00 H new ATOM 96 N SER A 8 0.965 0.833 -4.107 1.00 0.00 N ATOM 97 CA SER A 8 -0.210 0.853 -3.245 1.00 0.00 C ATOM 98 C SER A 8 -0.159 2.031 -2.259 1.00 0.00 C ATOM 99 O SER A 8 -1.190 2.539 -1.824 1.00 0.00 O ATOM 100 CB SER A 8 -0.280 -0.460 -2.473 1.00 0.00 C ATOM 101 OG SER A 8 0.114 -1.545 -3.303 1.00 0.00 O ATOM 0 H SER A 8 1.489 -0.041 -4.070 1.00 0.00 H new ATOM 0 HA SER A 8 -1.097 0.974 -3.867 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.368 -0.410 -1.598 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.295 -0.622 -2.110 1.00 0.00 H new ATOM 0 HG SER A 8 0.066 -2.381 -2.794 1.00 0.00 H new ATOM 107 N CYS A 9 1.046 2.469 -1.936 1.00 0.00 N ATOM 108 CA CYS A 9 1.231 3.531 -0.968 1.00 0.00 C ATOM 109 C CYS A 9 1.510 4.879 -1.612 1.00 0.00 C ATOM 110 O CYS A 9 1.911 5.817 -0.931 1.00 0.00 O ATOM 111 CB CYS A 9 2.329 3.171 0.011 1.00 0.00 C ATOM 112 SG CYS A 9 1.828 1.926 1.230 1.00 0.00 S ATOM 0 H CYS A 9 1.912 2.103 -2.332 1.00 0.00 H new ATOM 0 HA CYS A 9 0.288 3.632 -0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.192 2.800 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.649 4.072 0.534 1.00 0.00 H new ATOM 117 N ALA A 10 1.290 4.986 -2.912 1.00 0.00 N ATOM 118 CA ALA A 10 1.484 6.259 -3.606 1.00 0.00 C ATOM 119 C ALA A 10 0.531 7.321 -3.050 1.00 0.00 C ATOM 120 O ALA A 10 0.860 8.517 -3.001 1.00 0.00 O ATOM 121 CB ALA A 10 1.276 6.085 -5.101 1.00 0.00 C ATOM 0 H ALA A 10 0.980 4.218 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 10 2.508 6.593 -3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.424 7.041 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.992 5.359 -5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.263 5.730 -5.288 1.00 0.00 H new ATOM 127 N ARG A 11 -0.633 6.860 -2.578 1.00 0.00 N ATOM 128 CA ARG A 11 -1.650 7.742 -2.010 1.00 0.00 C ATOM 129 C ARG A 11 -1.165 8.451 -0.751 1.00 0.00 C ATOM 130 O ARG A 11 -1.823 9.358 -0.265 1.00 0.00 O ATOM 131 CB ARG A 11 -2.983 7.015 -1.727 1.00 0.00 C ATOM 132 CG ARG A 11 -2.922 5.493 -1.707 1.00 0.00 C ATOM 133 CD ARG A 11 -3.094 4.906 -3.104 1.00 0.00 C ATOM 134 NE ARG A 11 -4.331 5.365 -3.743 1.00 0.00 N ATOM 135 CZ ARG A 11 -4.889 4.800 -4.815 1.00 0.00 C ATOM 136 NH1 ARG A 11 -4.340 3.723 -5.362 1.00 0.00 N ATOM 137 NH2 ARG A 11 -5.995 5.315 -5.332 1.00 0.00 N ATOM 0 H ARG A 11 -0.892 5.873 -2.580 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.837 8.494 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.363 7.356 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.708 7.320 -2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.967 5.172 -1.292 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.701 5.106 -1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.241 5.185 -3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.100 3.818 -3.042 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.799 6.176 -3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.490 3.325 -4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.768 3.293 -6.182 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.418 6.142 -4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.423 4.885 -6.152 1.00 0.00 H new ATOM 151 N MET A 12 -0.016 8.030 -0.211 1.00 0.00 N ATOM 152 CA MET A 12 0.551 8.688 0.975 1.00 0.00 C ATOM 153 C MET A 12 0.792 10.187 0.707 1.00 0.00 C ATOM 154 O MET A 12 1.024 10.962 1.633 1.00 0.00 O ATOM 155 CB MET A 12 1.878 8.033 1.409 1.00 0.00 C ATOM 156 CG MET A 12 3.050 8.355 0.488 1.00 0.00 C ATOM 157 SD MET A 12 4.664 8.061 1.250 1.00 0.00 S ATOM 158 CE MET A 12 4.571 6.313 1.614 1.00 0.00 C ATOM 0 H MET A 12 0.534 7.249 -0.568 1.00 0.00 H new ATOM 0 HA MET A 12 -0.175 8.573 1.780 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.121 8.360 2.420 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.744 6.952 1.448 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.968 7.752 -0.416 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.986 9.399 0.182 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.570 5.879 1.572 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.155 6.171 2.611 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.931 5.822 0.881 1.00 0.00 H new ATOM 168 N ASN A 13 0.722 10.587 -0.570 1.00 0.00 N ATOM 169 CA ASN A 13 0.961 11.972 -0.961 1.00 0.00 C ATOM 170 C ASN A 13 -0.361 12.644 -1.322 1.00 0.00 C ATOM 171 O ASN A 13 -0.389 13.648 -2.028 1.00 0.00 O ATOM 172 CB ASN A 13 1.908 12.040 -2.172 1.00 0.00 C ATOM 173 CG ASN A 13 3.242 11.358 -1.933 1.00 0.00 C ATOM 174 OD1 ASN A 13 4.180 11.961 -1.407 1.00 0.00 O ATOM 175 ND2 ASN A 13 3.345 10.103 -2.338 1.00 0.00 N ATOM 0 H ASN A 13 0.501 9.965 -1.347 1.00 0.00 H new ATOM 0 HA ASN A 13 1.422 12.490 -0.120 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.421 11.578 -3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.083 13.085 -2.429 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.224 9.599 -2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.545 9.639 -2.769 1.00 0.00 H new ATOM 182 N ASP A 14 -1.454 12.095 -0.812 1.00 0.00 N ATOM 183 CA ASP A 14 -2.792 12.610 -1.111 1.00 0.00 C ATOM 184 C ASP A 14 -3.416 13.197 0.161 1.00 0.00 C ATOM 185 O ASP A 14 -4.632 13.352 0.274 1.00 0.00 O ATOM 186 CB ASP A 14 -3.679 11.481 -1.692 1.00 0.00 C ATOM 187 CG ASP A 14 -5.034 11.963 -2.179 1.00 0.00 C ATOM 188 OD1 ASP A 14 -5.087 12.692 -3.195 1.00 0.00 O ATOM 189 OD2 ASP A 14 -6.056 11.617 -1.554 1.00 0.00 O ATOM 0 H ASP A 14 -1.445 11.290 -0.186 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.717 13.401 -1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.152 11.006 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.827 10.717 -0.929 1.00 0.00 H new ATOM 194 N GLY A 15 -2.565 13.552 1.107 1.00 0.00 N ATOM 195 CA GLY A 15 -3.039 14.097 2.361 1.00 0.00 C ATOM 196 C GLY A 15 -3.298 13.023 3.395 1.00 0.00 C ATOM 197 O GLY A 15 -2.979 11.850 3.173 1.00 0.00 O ATOM 0 H GLY A 15 -1.551 13.473 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.303 14.801 2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.957 14.658 2.186 1.00 0.00 H new ATOM 201 N ALA A 16 -3.874 13.423 4.525 1.00 0.00 N ATOM 202 CA ALA A 16 -4.188 12.501 5.616 1.00 0.00 C ATOM 203 C ALA A 16 -5.118 11.383 5.157 1.00 0.00 C ATOM 204 O ALA A 16 -4.998 10.237 5.600 1.00 0.00 O ATOM 205 CB ALA A 16 -4.809 13.261 6.775 1.00 0.00 C ATOM 0 H ALA A 16 -4.136 14.391 4.711 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.256 12.040 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.040 12.567 7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.108 14.015 7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.726 13.747 6.442 1.00 0.00 H new ATOM 211 N LEU A 17 -6.046 11.717 4.267 1.00 0.00 N ATOM 212 CA LEU A 17 -6.967 10.728 3.734 1.00 0.00 C ATOM 213 C LEU A 17 -6.185 9.719 2.906 1.00 0.00 C ATOM 214 O LEU A 17 -6.381 8.512 3.028 1.00 0.00 O ATOM 215 CB LEU A 17 -8.048 11.402 2.877 1.00 0.00 C ATOM 216 CG LEU A 17 -9.459 10.790 2.956 1.00 0.00 C ATOM 217 CD1 LEU A 17 -9.467 9.342 2.490 1.00 0.00 C ATOM 218 CD2 LEU A 17 -10.012 10.902 4.371 1.00 0.00 C ATOM 0 H LEU A 17 -6.178 12.661 3.903 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.464 10.216 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.112 12.450 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.723 11.380 1.837 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.104 11.356 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.479 8.943 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.127 9.291 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.801 8.753 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.010 10.464 4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.357 10.370 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.066 11.952 4.659 1.00 0.00 H new ATOM 230 N GLY A 18 -5.282 10.230 2.080 1.00 0.00 N ATOM 231 CA GLY A 18 -4.441 9.382 1.271 1.00 0.00 C ATOM 232 C GLY A 18 -3.592 8.460 2.107 1.00 0.00 C ATOM 233 O GLY A 18 -3.445 7.289 1.782 1.00 0.00 O ATOM 0 H GLY A 18 -5.119 11.229 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.063 8.791 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.796 10.001 0.647 1.00 0.00 H new ATOM 237 N ALA A 19 -3.015 9.000 3.178 1.00 0.00 N ATOM 238 CA ALA A 19 -2.205 8.213 4.102 1.00 0.00 C ATOM 239 C ALA A 19 -3.016 7.059 4.666 1.00 0.00 C ATOM 240 O ALA A 19 -2.505 5.955 4.859 1.00 0.00 O ATOM 241 CB ALA A 19 -1.677 9.094 5.225 1.00 0.00 C ATOM 0 H ALA A 19 -3.095 9.986 3.428 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.355 7.802 3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.075 8.493 5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.063 9.891 4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.514 9.530 5.770 1.00 0.00 H new ATOM 247 N LYS A 20 -4.293 7.324 4.904 1.00 0.00 N ATOM 248 CA LYS A 20 -5.202 6.324 5.426 1.00 0.00 C ATOM 249 C LYS A 20 -5.431 5.245 4.382 1.00 0.00 C ATOM 250 O LYS A 20 -5.374 4.055 4.685 1.00 0.00 O ATOM 251 CB LYS A 20 -6.538 6.972 5.797 1.00 0.00 C ATOM 252 CG LYS A 20 -7.080 6.554 7.153 1.00 0.00 C ATOM 253 CD LYS A 20 -6.211 7.078 8.289 1.00 0.00 C ATOM 254 CE LYS A 20 -6.139 8.599 8.283 1.00 0.00 C ATOM 255 NZ LYS A 20 -5.427 9.129 9.471 1.00 0.00 N ATOM 0 H LYS A 20 -4.722 8.235 4.740 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.763 5.877 6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.419 8.055 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.274 6.723 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.097 6.928 7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.132 5.466 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.613 6.736 9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.206 6.665 8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.632 8.934 7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.148 9.009 8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.402 10.168 9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.924 8.832 10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.455 8.759 9.487 1.00 0.00 H new ATOM 269 N VAL A 21 -5.681 5.672 3.147 1.00 0.00 N ATOM 270 CA VAL A 21 -5.890 4.742 2.043 1.00 0.00 C ATOM 271 C VAL A 21 -4.642 3.904 1.814 1.00 0.00 C ATOM 272 O VAL A 21 -4.714 2.682 1.685 1.00 0.00 O ATOM 273 CB VAL A 21 -6.247 5.481 0.724 1.00 0.00 C ATOM 274 CG1 VAL A 21 -6.534 4.478 -0.382 1.00 0.00 C ATOM 275 CG2 VAL A 21 -7.437 6.403 0.924 1.00 0.00 C ATOM 0 H VAL A 21 -5.744 6.656 2.886 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.727 4.101 2.320 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.391 6.090 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.783 5.010 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.653 3.858 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.373 3.845 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.667 6.909 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.300 5.819 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.199 7.144 1.687 1.00 0.00 H new ATOM 285 N ALA A 22 -3.503 4.577 1.780 1.00 0.00 N ATOM 286 CA ALA A 22 -2.228 3.931 1.563 1.00 0.00 C ATOM 287 C ALA A 22 -1.957 2.864 2.614 1.00 0.00 C ATOM 288 O ALA A 22 -1.691 1.708 2.278 1.00 0.00 O ATOM 289 CB ALA A 22 -1.116 4.969 1.559 1.00 0.00 C ATOM 0 H ALA A 22 -3.441 5.588 1.903 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.259 3.435 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.158 4.475 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.294 5.690 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.098 5.487 2.518 1.00 0.00 H new ATOM 295 N GLN A 23 -2.037 3.248 3.885 1.00 0.00 N ATOM 296 CA GLN A 23 -1.761 2.323 4.971 1.00 0.00 C ATOM 297 C GLN A 23 -2.739 1.148 4.951 1.00 0.00 C ATOM 298 O GLN A 23 -2.342 0.002 5.138 1.00 0.00 O ATOM 299 CB GLN A 23 -1.788 3.040 6.332 1.00 0.00 C ATOM 300 CG GLN A 23 -3.174 3.250 6.913 1.00 0.00 C ATOM 301 CD GLN A 23 -3.147 4.010 8.215 1.00 0.00 C ATOM 302 OE1 GLN A 23 -3.246 5.236 8.239 1.00 0.00 O ATOM 303 NE2 GLN A 23 -3.012 3.291 9.308 1.00 0.00 N ATOM 0 H GLN A 23 -2.290 4.190 4.184 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.756 1.927 4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.195 2.464 7.042 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.303 4.010 6.225 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.788 3.791 6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.648 2.281 7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.933 2.276 9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.986 3.748 10.219 1.00 0.00 H new ATOM 312 N ALA A 24 -4.013 1.438 4.690 1.00 0.00 N ATOM 313 CA ALA A 24 -5.049 0.415 4.666 1.00 0.00 C ATOM 314 C ALA A 24 -4.797 -0.576 3.554 1.00 0.00 C ATOM 315 O ALA A 24 -4.818 -1.793 3.772 1.00 0.00 O ATOM 316 CB ALA A 24 -6.416 1.054 4.497 1.00 0.00 C ATOM 0 H ALA A 24 -4.350 2.380 4.492 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.024 -0.119 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.181 0.278 4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.606 1.733 5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.444 1.611 3.560 1.00 0.00 H new ATOM 322 N ALA A 25 -4.542 -0.052 2.365 1.00 0.00 N ATOM 323 CA ALA A 25 -4.270 -0.878 1.211 1.00 0.00 C ATOM 324 C ALA A 25 -3.019 -1.705 1.435 1.00 0.00 C ATOM 325 O ALA A 25 -2.944 -2.856 1.019 1.00 0.00 O ATOM 326 CB ALA A 25 -4.126 -0.021 -0.039 1.00 0.00 C ATOM 0 H ALA A 25 -4.519 0.951 2.179 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.111 -1.556 1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.921 -0.661 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.050 0.531 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.303 0.681 0.094 1.00 0.00 H new ATOM 332 N CYS A 26 -2.049 -1.119 2.120 1.00 0.00 N ATOM 333 CA CYS A 26 -0.786 -1.782 2.384 1.00 0.00 C ATOM 334 C CYS A 26 -0.968 -2.936 3.370 1.00 0.00 C ATOM 335 O CYS A 26 -0.593 -4.070 3.079 1.00 0.00 O ATOM 336 CB CYS A 26 0.237 -0.781 2.925 1.00 0.00 C ATOM 337 SG CYS A 26 1.923 -1.444 3.053 1.00 0.00 S ATOM 0 H CYS A 26 -2.116 -0.177 2.505 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.416 -2.192 1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.250 0.095 2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.086 -0.444 3.910 1.00 0.00 H new ATOM 342 N ILE A 27 -1.588 -2.645 4.516 1.00 0.00 N ATOM 343 CA ILE A 27 -1.800 -3.644 5.562 1.00 0.00 C ATOM 344 C ILE A 27 -2.516 -4.874 5.007 1.00 0.00 C ATOM 345 O ILE A 27 -2.034 -6.000 5.157 1.00 0.00 O ATOM 346 CB ILE A 27 -2.634 -3.062 6.735 1.00 0.00 C ATOM 347 CG1 ILE A 27 -1.888 -1.901 7.405 1.00 0.00 C ATOM 348 CG2 ILE A 27 -2.963 -4.148 7.759 1.00 0.00 C ATOM 349 CD1 ILE A 27 -2.742 -1.096 8.363 1.00 0.00 C ATOM 0 H ILE A 27 -1.953 -1.720 4.742 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.816 -3.933 5.931 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.571 -2.681 6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.028 -2.298 7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.501 -1.237 6.633 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.548 -3.717 8.572 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.538 -4.939 7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.038 -4.564 8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.145 -0.294 8.797 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.588 -0.668 7.825 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.108 -1.746 9.158 1.00 0.00 H new ATOM 361 N SER A 28 -3.645 -4.650 4.348 1.00 0.00 N ATOM 362 CA SER A 28 -4.427 -5.739 3.787 1.00 0.00 C ATOM 363 C SER A 28 -3.608 -6.557 2.778 1.00 0.00 C ATOM 364 O SER A 28 -3.595 -7.791 2.834 1.00 0.00 O ATOM 365 CB SER A 28 -5.687 -5.198 3.130 1.00 0.00 C ATOM 366 OG SER A 28 -6.382 -4.316 4.002 1.00 0.00 O ATOM 0 H SER A 28 -4.039 -3.722 4.190 1.00 0.00 H new ATOM 0 HA SER A 28 -4.709 -6.404 4.604 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.425 -4.674 2.211 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.339 -6.026 2.850 1.00 0.00 H new ATOM 0 HG SER A 28 -5.970 -3.428 3.966 1.00 0.00 H new ATOM 372 N SER A 29 -2.909 -5.864 1.876 1.00 0.00 N ATOM 373 CA SER A 29 -2.094 -6.531 0.863 1.00 0.00 C ATOM 374 C SER A 29 -0.983 -7.355 1.513 1.00 0.00 C ATOM 375 O SER A 29 -0.624 -8.431 1.025 1.00 0.00 O ATOM 376 CB SER A 29 -1.494 -5.507 -0.108 1.00 0.00 C ATOM 377 OG SER A 29 -2.511 -4.729 -0.728 1.00 0.00 O ATOM 0 H SER A 29 -2.892 -4.845 1.828 1.00 0.00 H new ATOM 0 HA SER A 29 -2.741 -7.206 0.303 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.808 -4.852 0.428 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.911 -6.023 -0.871 1.00 0.00 H new ATOM 0 HG SER A 29 -2.878 -4.093 -0.079 1.00 0.00 H new ATOM 383 N CYS A 30 -0.446 -6.847 2.615 1.00 0.00 N ATOM 384 CA CYS A 30 0.596 -7.533 3.333 1.00 0.00 C ATOM 385 C CYS A 30 0.070 -8.827 3.929 1.00 0.00 C ATOM 386 O CYS A 30 0.641 -9.892 3.722 1.00 0.00 O ATOM 387 CB CYS A 30 1.180 -6.627 4.411 1.00 0.00 C ATOM 388 SG CYS A 30 2.114 -5.213 3.746 1.00 0.00 S ATOM 0 H CYS A 30 -0.724 -5.956 3.025 1.00 0.00 H new ATOM 0 HA CYS A 30 1.394 -7.787 2.635 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.370 -6.254 5.039 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.836 -7.216 5.053 1.00 0.00 H new ATOM 393 N LYS A 31 -1.040 -8.734 4.637 1.00 0.00 N ATOM 394 CA LYS A 31 -1.648 -9.894 5.271 1.00 0.00 C ATOM 395 C LYS A 31 -1.986 -10.950 4.229 1.00 0.00 C ATOM 396 O LYS A 31 -1.792 -12.147 4.454 1.00 0.00 O ATOM 397 CB LYS A 31 -2.906 -9.460 6.015 1.00 0.00 C ATOM 398 CG LYS A 31 -2.640 -8.383 7.055 1.00 0.00 C ATOM 399 CD LYS A 31 -3.875 -7.536 7.319 1.00 0.00 C ATOM 400 CE LYS A 31 -4.985 -8.326 7.981 1.00 0.00 C ATOM 401 NZ LYS A 31 -4.592 -8.819 9.330 1.00 0.00 N ATOM 0 H LYS A 31 -1.544 -7.861 4.790 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.943 -10.328 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.637 -9.090 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.350 -10.327 6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.313 -8.848 7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.826 -7.743 6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.605 -6.692 7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.238 -7.124 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.873 -7.700 8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.253 -9.173 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.436 -9.158 9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.912 -9.599 9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.154 -8.045 9.869 1.00 0.00 H new ATOM 415 N PHE A 32 -2.472 -10.494 3.084 1.00 0.00 N ATOM 416 CA PHE A 32 -2.828 -11.369 1.981 1.00 0.00 C ATOM 417 C PHE A 32 -1.632 -12.203 1.502 1.00 0.00 C ATOM 418 O PHE A 32 -1.788 -13.367 1.141 1.00 0.00 O ATOM 419 CB PHE A 32 -3.376 -10.533 0.828 1.00 0.00 C ATOM 420 CG PHE A 32 -4.596 -11.119 0.193 1.00 0.00 C ATOM 421 CD1 PHE A 32 -5.758 -11.278 0.926 1.00 0.00 C ATOM 422 CD2 PHE A 32 -4.587 -11.507 -1.135 1.00 0.00 C ATOM 423 CE1 PHE A 32 -6.890 -11.816 0.349 1.00 0.00 C ATOM 424 CE2 PHE A 32 -5.715 -12.045 -1.720 1.00 0.00 C ATOM 425 CZ PHE A 32 -6.868 -12.201 -0.977 1.00 0.00 C ATOM 0 H PHE A 32 -2.630 -9.504 2.895 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.590 -12.064 2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.611 -9.534 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.600 -10.421 0.071 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.780 -10.977 1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.687 -11.387 -1.720 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.791 -11.936 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.696 -12.344 -2.758 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.752 -12.624 -1.432 1.00 0.00 H new ATOM 435 N GLN A 33 -0.445 -11.610 1.510 1.00 0.00 N ATOM 436 CA GLN A 33 0.761 -12.302 1.047 1.00 0.00 C ATOM 437 C GLN A 33 1.522 -12.941 2.212 1.00 0.00 C ATOM 438 O GLN A 33 2.713 -13.255 2.094 1.00 0.00 O ATOM 439 CB GLN A 33 1.667 -11.338 0.275 1.00 0.00 C ATOM 440 CG GLN A 33 2.152 -10.158 1.092 1.00 0.00 C ATOM 441 CD GLN A 33 2.922 -9.154 0.271 1.00 0.00 C ATOM 442 OE1 GLN A 33 4.141 -9.254 0.121 1.00 0.00 O ATOM 443 NE2 GLN A 33 2.223 -8.176 -0.258 1.00 0.00 N ATOM 0 H GLN A 33 -0.287 -10.655 1.830 1.00 0.00 H new ATOM 0 HA GLN A 33 0.450 -13.103 0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.531 -11.888 -0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.126 -10.966 -0.595 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.296 -9.664 1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.785 -10.519 1.903 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.215 -8.131 -0.109 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.688 -7.462 -0.818 1.00 0.00 H new ATOM 452 N ASN A 34 0.819 -13.132 3.323 1.00 0.00 N ATOM 453 CA ASN A 34 1.369 -13.769 4.525 1.00 0.00 C ATOM 454 C ASN A 34 2.407 -12.871 5.196 1.00 0.00 C ATOM 455 O ASN A 34 3.540 -13.283 5.483 1.00 0.00 O ATOM 456 CB ASN A 34 1.946 -15.162 4.215 1.00 0.00 C ATOM 457 CG ASN A 34 2.156 -16.008 5.468 1.00 0.00 C ATOM 458 OD1 ASN A 34 1.244 -16.702 5.921 1.00 0.00 O ATOM 459 ND2 ASN A 34 3.350 -15.961 6.028 1.00 0.00 N ATOM 0 H ASN A 34 -0.156 -12.849 3.420 1.00 0.00 H new ATOM 0 HA ASN A 34 0.548 -13.910 5.228 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.273 -15.686 3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.897 -15.049 3.695 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.543 -16.511 6.865 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.080 -15.374 5.624 1.00 0.00 H new ATOM 466 N CYS A 35 2.026 -11.636 5.396 1.00 0.00 N ATOM 467 CA CYS A 35 2.833 -10.692 6.121 1.00 0.00 C ATOM 468 C CYS A 35 2.058 -10.191 7.321 1.00 0.00 C ATOM 469 O CYS A 35 0.885 -9.833 7.205 1.00 0.00 O ATOM 470 CB CYS A 35 3.258 -9.534 5.227 1.00 0.00 C ATOM 471 SG CYS A 35 4.375 -10.004 3.862 1.00 0.00 S ATOM 0 H CYS A 35 1.142 -11.256 5.058 1.00 0.00 H new ATOM 0 HA CYS A 35 3.741 -11.189 6.462 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.366 -9.070 4.807 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.751 -8.780 5.840 1.00 0.00 H new ATOM 476 N GLY A 36 2.714 -10.179 8.467 1.00 0.00 N ATOM 477 CA GLY A 36 2.067 -9.790 9.714 1.00 0.00 C ATOM 478 C GLY A 36 1.457 -8.404 9.675 1.00 0.00 C ATOM 479 O GLY A 36 0.347 -8.192 10.160 1.00 0.00 O ATOM 0 H GLY A 36 3.697 -10.434 8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.287 -10.514 9.950 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.798 -9.833 10.522 1.00 0.00 H new ATOM 483 N THR A 37 2.173 -7.471 9.098 1.00 0.00 N ATOM 484 CA THR A 37 1.696 -6.110 9.020 1.00 0.00 C ATOM 485 C THR A 37 2.316 -5.378 7.838 1.00 0.00 C ATOM 486 O THR A 37 3.237 -5.883 7.194 1.00 0.00 O ATOM 487 CB THR A 37 1.978 -5.343 10.353 1.00 0.00 C ATOM 488 OG1 THR A 37 1.561 -3.971 10.258 1.00 0.00 O ATOM 489 CG2 THR A 37 3.453 -5.398 10.712 1.00 0.00 C ATOM 0 H THR A 37 3.088 -7.628 8.675 1.00 0.00 H new ATOM 0 HA THR A 37 0.617 -6.144 8.867 1.00 0.00 H new ATOM 0 HB THR A 37 1.403 -5.835 11.137 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.746 -3.513 11.105 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.621 -4.857 11.643 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.759 -6.437 10.836 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.039 -4.940 9.915 1.00 0.00 H new ATOM 497 N GLY A 38 1.792 -4.204 7.557 1.00 0.00 N ATOM 498 CA GLY A 38 2.277 -3.410 6.469 1.00 0.00 C ATOM 499 C GLY A 38 2.215 -1.941 6.779 1.00 0.00 C ATOM 500 O GLY A 38 1.343 -1.495 7.535 1.00 0.00 O ATOM 0 H GLY A 38 1.023 -3.783 8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.306 -3.691 6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.688 -3.618 5.576 1.00 0.00 H new ATOM 504 N HIS A 39 3.144 -1.191 6.239 1.00 0.00 N ATOM 505 CA HIS A 39 3.150 0.241 6.411 1.00 0.00 C ATOM 506 C HIS A 39 3.776 0.893 5.205 1.00 0.00 C ATOM 507 O HIS A 39 4.619 0.298 4.531 1.00 0.00 O ATOM 508 CB HIS A 39 3.872 0.670 7.715 1.00 0.00 C ATOM 509 CG HIS A 39 5.380 0.624 7.674 1.00 0.00 C ATOM 510 ND1 HIS A 39 6.116 -0.424 8.168 1.00 0.00 N ATOM 511 CD2 HIS A 39 6.281 1.533 7.230 1.00 0.00 C ATOM 512 CE1 HIS A 39 7.401 -0.162 8.034 1.00 0.00 C ATOM 513 NE2 HIS A 39 7.528 1.021 7.466 1.00 0.00 N ATOM 0 H HIS A 39 3.911 -1.552 5.672 1.00 0.00 H new ATOM 0 HA HIS A 39 2.117 0.575 6.504 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.564 1.686 7.961 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.529 0.028 8.526 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.057 2.486 6.774 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.212 -0.807 8.338 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.411 1.479 7.240 1.00 0.00 H new ATOM 522 N CYS A 40 3.382 2.097 4.936 1.00 0.00 N ATOM 523 CA CYS A 40 3.908 2.803 3.810 1.00 0.00 C ATOM 524 C CYS A 40 5.202 3.470 4.174 1.00 0.00 C ATOM 525 O CYS A 40 5.275 4.232 5.140 1.00 0.00 O ATOM 526 CB CYS A 40 2.905 3.806 3.308 1.00 0.00 C ATOM 527 SG CYS A 40 1.331 3.046 2.843 1.00 0.00 S ATOM 0 H CYS A 40 2.694 2.615 5.483 1.00 0.00 H new ATOM 0 HA CYS A 40 4.106 2.092 3.008 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.728 4.555 4.080 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.320 4.329 2.446 1.00 0.00 H new ATOM 532 N GLU A 41 6.223 3.169 3.418 1.00 0.00 N ATOM 533 CA GLU A 41 7.526 3.706 3.676 1.00 0.00 C ATOM 534 C GLU A 41 8.124 4.221 2.381 1.00 0.00 C ATOM 535 O GLU A 41 7.940 3.614 1.324 1.00 0.00 O ATOM 536 CB GLU A 41 8.415 2.604 4.252 1.00 0.00 C ATOM 537 CG GLU A 41 9.646 3.099 4.973 1.00 0.00 C ATOM 538 CD GLU A 41 9.310 3.766 6.279 1.00 0.00 C ATOM 539 OE1 GLU A 41 9.085 4.989 6.286 1.00 0.00 O ATOM 540 OE2 GLU A 41 9.266 3.063 7.310 1.00 0.00 O ATOM 0 H GLU A 41 6.173 2.548 2.611 1.00 0.00 H new ATOM 0 HA GLU A 41 7.454 4.527 4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.824 2.002 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.726 1.945 3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.319 2.261 5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.181 3.802 4.335 1.00 0.00 H new ATOM 547 N ARG A 42 8.824 5.330 2.444 1.00 0.00 N ATOM 548 CA ARG A 42 9.467 5.848 1.270 1.00 0.00 C ATOM 549 C ARG A 42 10.841 5.275 1.157 1.00 0.00 C ATOM 550 O ARG A 42 11.700 5.495 2.009 1.00 0.00 O ATOM 551 CB ARG A 42 9.510 7.368 1.261 1.00 0.00 C ATOM 552 CG ARG A 42 8.171 7.999 0.969 1.00 0.00 C ATOM 553 CD ARG A 42 8.289 9.494 0.756 1.00 0.00 C ATOM 554 NE ARG A 42 8.870 9.822 -0.550 1.00 0.00 N ATOM 555 CZ ARG A 42 9.135 11.074 -0.958 1.00 0.00 C ATOM 556 NH1 ARG A 42 8.929 12.099 -0.140 1.00 0.00 N ATOM 557 NH2 ARG A 42 9.596 11.295 -2.186 1.00 0.00 N ATOM 0 H ARG A 42 8.959 5.883 3.290 1.00 0.00 H new ATOM 0 HA ARG A 42 8.878 5.548 0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.867 7.721 2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.231 7.700 0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.738 7.538 0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.488 7.802 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.302 9.950 0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.906 9.924 1.545 1.00 0.00 H new ATOM 0 HE ARG A 42 9.086 9.054 -1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.569 11.937 0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.131 13.049 -0.452 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.749 10.512 -2.822 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.796 12.247 -2.492 1.00 0.00 H new ATOM 571 N ARG A 43 11.034 4.509 0.129 1.00 0.00 N ATOM 572 CA ARG A 43 12.298 3.848 -0.110 1.00 0.00 C ATOM 573 C ARG A 43 12.998 4.522 -1.260 1.00 0.00 C ATOM 574 O ARG A 43 12.585 4.383 -2.407 1.00 0.00 O ATOM 575 CB ARG A 43 12.077 2.360 -0.411 1.00 0.00 C ATOM 576 CG ARG A 43 11.330 1.589 0.683 1.00 0.00 C ATOM 577 CD ARG A 43 12.137 1.483 1.979 1.00 0.00 C ATOM 578 NE ARG A 43 12.285 2.775 2.657 1.00 0.00 N ATOM 579 CZ ARG A 43 13.088 2.997 3.696 1.00 0.00 C ATOM 580 NH1 ARG A 43 13.807 2.008 4.209 1.00 0.00 N ATOM 581 NH2 ARG A 43 13.158 4.209 4.227 1.00 0.00 N ATOM 0 H ARG A 43 10.322 4.318 -0.576 1.00 0.00 H new ATOM 0 HA ARG A 43 12.919 3.921 0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.520 2.271 -1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.046 1.888 -0.572 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.381 2.084 0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.095 0.588 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.648 0.778 2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.124 1.078 1.756 1.00 0.00 H new ATOM 0 HE ARG A 43 11.734 3.559 2.308 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.747 1.072 3.808 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.421 2.183 5.005 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.598 4.968 3.840 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.772 4.382 5.023 1.00 0.00 H new ATOM 595 N GLY A 44 14.039 5.275 -0.949 1.00 0.00 N ATOM 596 CA GLY A 44 14.734 6.018 -1.973 1.00 0.00 C ATOM 597 C GLY A 44 13.805 6.998 -2.657 1.00 0.00 C ATOM 598 O GLY A 44 13.752 7.068 -3.883 1.00 0.00 O ATOM 0 H GLY A 44 14.414 5.384 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.574 6.555 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.148 5.329 -2.709 1.00 0.00 H new ATOM 602 N GLY A 45 13.063 7.756 -1.854 1.00 0.00 N ATOM 603 CA GLY A 45 12.092 8.694 -2.386 1.00 0.00 C ATOM 604 C GLY A 45 10.827 8.034 -2.904 1.00 0.00 C ATOM 605 O GLY A 45 9.843 8.708 -3.159 1.00 0.00 O ATOM 0 H GLY A 45 13.119 7.736 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.826 9.409 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.553 9.261 -3.195 1.00 0.00 H new ATOM 609 N ARG A 46 10.843 6.728 -3.019 1.00 0.00 N ATOM 610 CA ARG A 46 9.719 6.000 -3.590 1.00 0.00 C ATOM 611 C ARG A 46 8.767 5.466 -2.532 1.00 0.00 C ATOM 612 O ARG A 46 9.096 4.532 -1.803 1.00 0.00 O ATOM 613 CB ARG A 46 10.214 4.875 -4.488 1.00 0.00 C ATOM 614 CG ARG A 46 10.985 5.379 -5.690 1.00 0.00 C ATOM 615 CD ARG A 46 10.103 6.239 -6.580 1.00 0.00 C ATOM 616 NE ARG A 46 10.813 6.727 -7.756 1.00 0.00 N ATOM 617 CZ ARG A 46 10.322 7.639 -8.598 1.00 0.00 C ATOM 618 NH1 ARG A 46 9.129 8.183 -8.374 1.00 0.00 N ATOM 619 NH2 ARG A 46 11.022 8.012 -9.656 1.00 0.00 N ATOM 0 H ARG A 46 11.622 6.139 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 46 9.152 6.711 -4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.851 4.207 -3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.362 4.287 -4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.847 5.958 -5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.370 4.534 -6.261 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.235 5.660 -6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.729 7.087 -6.006 1.00 0.00 H new ATOM 0 HE ARG A 46 11.741 6.349 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.586 7.904 -7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.757 8.880 -9.019 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.940 7.603 -9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.644 8.709 -10.298 1.00 0.00 H new ATOM 633 N PRO A 47 7.570 6.063 -2.426 1.00 0.00 N ATOM 634 CA PRO A 47 6.541 5.605 -1.500 1.00 0.00 C ATOM 635 C PRO A 47 6.116 4.184 -1.828 1.00 0.00 C ATOM 636 O PRO A 47 5.421 3.948 -2.811 1.00 0.00 O ATOM 637 CB PRO A 47 5.376 6.564 -1.744 1.00 0.00 C ATOM 638 CG PRO A 47 5.975 7.747 -2.413 1.00 0.00 C ATOM 639 CD PRO A 47 7.130 7.230 -3.202 1.00 0.00 C ATOM 0 HA PRO A 47 6.885 5.599 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.612 6.103 -2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.894 6.844 -0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.249 8.239 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.302 8.486 -1.681 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.835 6.953 -4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.921 7.974 -3.293 1.00 0.00 H new ATOM 647 N THR A 48 6.541 3.249 -1.018 1.00 0.00 N ATOM 648 CA THR A 48 6.264 1.859 -1.268 1.00 0.00 C ATOM 649 C THR A 48 5.560 1.225 -0.073 1.00 0.00 C ATOM 650 O THR A 48 5.664 1.713 1.056 1.00 0.00 O ATOM 651 CB THR A 48 7.578 1.092 -1.546 1.00 0.00 C ATOM 652 OG1 THR A 48 8.415 1.861 -2.426 1.00 0.00 O ATOM 653 CG2 THR A 48 7.296 -0.259 -2.186 1.00 0.00 C ATOM 0 H THR A 48 7.084 3.428 -0.173 1.00 0.00 H new ATOM 0 HA THR A 48 5.613 1.798 -2.140 1.00 0.00 H new ATOM 0 HB THR A 48 8.083 0.933 -0.593 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.674 2.696 -1.984 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.237 -0.777 -2.371 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.678 -0.857 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.771 -0.112 -3.130 1.00 0.00 H new ATOM 661 N CYS A 49 4.833 0.162 -0.330 1.00 0.00 N ATOM 662 CA CYS A 49 4.182 -0.586 0.714 1.00 0.00 C ATOM 663 C CYS A 49 5.130 -1.655 1.203 1.00 0.00 C ATOM 664 O CYS A 49 5.353 -2.661 0.521 1.00 0.00 O ATOM 665 CB CYS A 49 2.897 -1.232 0.187 1.00 0.00 C ATOM 666 SG CYS A 49 2.153 -2.456 1.313 1.00 0.00 S ATOM 0 H CYS A 49 4.678 -0.206 -1.269 1.00 0.00 H new ATOM 0 HA CYS A 49 3.917 0.084 1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.166 -0.448 -0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.112 -1.716 -0.765 1.00 0.00 H new ATOM 671 N VAL A 50 5.722 -1.425 2.355 1.00 0.00 N ATOM 672 CA VAL A 50 6.658 -2.364 2.895 1.00 0.00 C ATOM 673 C VAL A 50 6.007 -3.177 4.000 1.00 0.00 C ATOM 674 O VAL A 50 5.424 -2.629 4.948 1.00 0.00 O ATOM 675 CB VAL A 50 7.964 -1.684 3.399 1.00 0.00 C ATOM 676 CG1 VAL A 50 8.617 -0.885 2.279 1.00 0.00 C ATOM 677 CG2 VAL A 50 7.699 -0.795 4.595 1.00 0.00 C ATOM 0 H VAL A 50 5.567 -0.596 2.928 1.00 0.00 H new ATOM 0 HA VAL A 50 6.950 -3.033 2.086 1.00 0.00 H new ATOM 0 HB VAL A 50 8.648 -2.472 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.529 -0.417 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.862 -1.551 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.928 -0.114 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.632 -0.336 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.989 -0.016 4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.285 -1.392 5.408 1.00 0.00 H new ATOM 687 N CYS A 51 6.068 -4.467 3.862 1.00 0.00 N ATOM 688 CA CYS A 51 5.451 -5.347 4.817 1.00 0.00 C ATOM 689 C CYS A 51 6.450 -5.830 5.843 1.00 0.00 C ATOM 690 O CYS A 51 7.648 -5.936 5.567 1.00 0.00 O ATOM 691 CB CYS A 51 4.812 -6.530 4.111 1.00 0.00 C ATOM 692 SG CYS A 51 3.668 -6.071 2.770 1.00 0.00 S ATOM 0 H CYS A 51 6.542 -4.940 3.092 1.00 0.00 H new ATOM 0 HA CYS A 51 4.676 -4.784 5.338 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.599 -7.163 3.701 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.272 -7.128 4.845 1.00 0.00 H new ATOM 697 N SER A 52 5.958 -6.125 7.017 1.00 0.00 N ATOM 698 CA SER A 52 6.782 -6.598 8.092 1.00 0.00 C ATOM 699 C SER A 52 6.269 -7.947 8.560 1.00 0.00 C ATOM 700 O SER A 52 5.065 -8.226 8.460 1.00 0.00 O ATOM 701 CB SER A 52 6.763 -5.595 9.242 1.00 0.00 C ATOM 702 OG SER A 52 7.013 -4.276 8.770 1.00 0.00 O ATOM 0 H SER A 52 4.969 -6.043 7.253 1.00 0.00 H new ATOM 0 HA SER A 52 7.809 -6.707 7.745 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.796 -5.629 9.743 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.515 -5.869 9.982 1.00 0.00 H new ATOM 0 HG SER A 52 6.994 -3.650 9.524 1.00 0.00 H new ATOM 708 N ARG A 53 7.175 -8.776 9.063 1.00 0.00 N ATOM 709 CA ARG A 53 6.838 -10.111 9.534 1.00 0.00 C ATOM 710 C ARG A 53 6.235 -10.949 8.414 1.00 0.00 C ATOM 711 O ARG A 53 5.138 -11.492 8.539 1.00 0.00 O ATOM 712 CB ARG A 53 5.901 -10.048 10.747 1.00 0.00 C ATOM 713 CG ARG A 53 6.504 -9.355 11.972 1.00 0.00 C ATOM 714 CD ARG A 53 7.666 -10.153 12.572 1.00 0.00 C ATOM 715 NE ARG A 53 8.855 -10.172 11.710 1.00 0.00 N ATOM 716 CZ ARG A 53 9.531 -11.277 11.371 1.00 0.00 C ATOM 717 NH1 ARG A 53 9.125 -12.471 11.787 1.00 0.00 N ATOM 718 NH2 ARG A 53 10.610 -11.183 10.607 1.00 0.00 N ATOM 0 H ARG A 53 8.163 -8.541 9.155 1.00 0.00 H new ATOM 0 HA ARG A 53 7.760 -10.597 9.853 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.989 -9.525 10.460 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.613 -11.063 11.023 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.854 -8.362 11.690 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.731 -9.218 12.728 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.932 -9.726 13.539 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.340 -11.177 12.755 1.00 0.00 H new ATOM 0 HE ARG A 53 9.189 -9.281 11.344 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.292 -12.552 12.370 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.646 -13.307 11.524 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.924 -10.270 10.278 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.126 -12.024 10.348 1.00 0.00 H new ATOM 732 N CYS A 54 6.956 -11.029 7.324 1.00 0.00 N ATOM 733 CA CYS A 54 6.537 -11.821 6.185 1.00 0.00 C ATOM 734 C CYS A 54 7.123 -13.214 6.294 1.00 0.00 C ATOM 735 O CYS A 54 8.025 -13.449 7.100 1.00 0.00 O ATOM 736 CB CYS A 54 6.981 -11.162 4.883 1.00 0.00 C ATOM 737 SG CYS A 54 6.221 -9.538 4.565 1.00 0.00 S ATOM 0 H CYS A 54 7.848 -10.550 7.197 1.00 0.00 H new ATOM 0 HA CYS A 54 5.449 -11.888 6.180 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.065 -11.045 4.900 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.745 -11.829 4.054 1.00 0.00 H new ATOM 742 N GLY A 55 6.615 -14.145 5.508 1.00 0.00 N ATOM 743 CA GLY A 55 7.141 -15.490 5.533 1.00 0.00 C ATOM 744 C GLY A 55 7.458 -15.959 4.142 1.00 0.00 C ATOM 745 O GLY A 55 7.511 -17.158 3.871 1.00 0.00 O ATOM 0 H GLY A 55 5.848 -13.994 4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.041 -15.523 6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.416 -16.161 5.993 1.00 0.00 H new ATOM 749 N ASN A 56 7.668 -15.003 3.264 1.00 0.00 N ATOM 750 CA ASN A 56 7.939 -15.280 1.873 1.00 0.00 C ATOM 751 C ASN A 56 8.622 -14.073 1.247 1.00 0.00 C ATOM 752 O ASN A 56 8.641 -12.990 1.842 1.00 0.00 O ATOM 753 CB ASN A 56 6.640 -15.622 1.128 1.00 0.00 C ATOM 754 CG ASN A 56 6.865 -16.534 -0.073 1.00 0.00 C ATOM 755 OD1 ASN A 56 7.913 -16.497 -0.713 1.00 0.00 O ATOM 756 ND2 ASN A 56 5.886 -17.366 -0.372 1.00 0.00 N ATOM 0 H ASN A 56 7.655 -14.010 3.496 1.00 0.00 H new ATOM 0 HA ASN A 56 8.601 -16.143 1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.948 -16.104 1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.166 -14.699 0.793 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.985 -18.008 -1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.030 -17.367 0.183 1.00 0.00 H new ATOM 763 N GLY A 57 9.181 -14.250 0.076 1.00 0.00 N ATOM 764 CA GLY A 57 9.852 -13.164 -0.594 1.00 0.00 C ATOM 765 C GLY A 57 11.341 -13.358 -0.591 1.00 0.00 C ATOM 766 O GLY A 57 11.973 -13.394 -1.647 1.00 0.00 O ATOM 0 H GLY A 57 9.185 -15.134 -0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.495 -13.091 -1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.605 -12.223 -0.103 1.00 0.00 H new ATOM 770 N GLY A 58 11.912 -13.491 0.593 1.00 0.00 N ATOM 771 CA GLY A 58 13.323 -13.729 0.689 1.00 0.00 C ATOM 772 C GLY A 58 14.025 -12.779 1.619 1.00 0.00 C ATOM 773 O GLY A 58 15.187 -12.991 1.953 1.00 0.00 O ATOM 0 H GLY A 58 11.420 -13.438 1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.490 -14.751 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.766 -13.649 -0.304 1.00 0.00 H new ATOM 777 N GLY A 59 13.349 -11.702 2.018 1.00 0.00 N ATOM 778 CA GLY A 59 13.955 -10.745 2.932 1.00 0.00 C ATOM 779 C GLY A 59 14.933 -9.806 2.240 1.00 0.00 C ATOM 780 O GLY A 59 14.966 -8.612 2.535 1.00 0.00 O ATOM 0 H GLY A 59 12.398 -11.476 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.170 -10.158 3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.475 -11.285 3.724 1.00 0.00 H new ATOM 784 N GLU A 60 15.678 -10.360 1.285 1.00 0.00 N ATOM 785 CA GLU A 60 16.732 -9.654 0.527 1.00 0.00 C ATOM 786 C GLU A 60 17.092 -10.441 -0.744 1.00 0.00 C ATOM 787 O GLU A 60 17.618 -9.883 -1.704 1.00 0.00 O ATOM 788 CB GLU A 60 18.006 -9.432 1.371 1.00 0.00 C ATOM 789 CG GLU A 60 17.875 -8.348 2.428 1.00 0.00 C ATOM 790 CD GLU A 60 19.195 -7.970 3.051 1.00 0.00 C ATOM 791 OE1 GLU A 60 19.621 -8.640 4.012 1.00 0.00 O ATOM 792 OE2 GLU A 60 19.812 -6.990 2.589 1.00 0.00 O ATOM 0 H GLU A 60 15.570 -11.334 1.004 1.00 0.00 H new ATOM 0 HA GLU A 60 16.332 -8.676 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.272 -10.369 1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.829 -9.175 0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.425 -7.463 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.196 -8.690 3.209 1.00 0.00 H new ATOM 799 N TRP A 61 16.802 -11.741 -0.728 1.00 0.00 N ATOM 800 CA TRP A 61 17.085 -12.605 -1.869 1.00 0.00 C ATOM 801 C TRP A 61 16.104 -12.380 -3.000 1.00 0.00 C ATOM 802 O TRP A 61 14.891 -12.550 -2.836 1.00 0.00 O ATOM 803 CB TRP A 61 17.082 -14.074 -1.460 1.00 0.00 C ATOM 804 CG TRP A 61 18.325 -14.496 -0.754 1.00 0.00 C ATOM 805 CD1 TRP A 61 19.570 -14.580 -1.293 1.00 0.00 C ATOM 806 CD2 TRP A 61 18.445 -14.904 0.609 1.00 0.00 C ATOM 807 NE1 TRP A 61 20.468 -15.005 -0.345 1.00 0.00 N ATOM 808 CE2 TRP A 61 19.800 -15.213 0.833 1.00 0.00 C ATOM 809 CE3 TRP A 61 17.542 -15.033 1.663 1.00 0.00 C ATOM 810 CZ2 TRP A 61 20.269 -15.644 2.067 1.00 0.00 C ATOM 811 CZ3 TRP A 61 18.009 -15.461 2.887 1.00 0.00 C ATOM 812 CH2 TRP A 61 19.362 -15.762 3.080 1.00 0.00 C ATOM 0 H TRP A 61 16.371 -12.218 0.064 1.00 0.00 H new ATOM 0 HA TRP A 61 18.081 -12.342 -2.227 1.00 0.00 H new ATOM 0 HB2 TRP A 61 16.225 -14.261 -0.813 1.00 0.00 H new ATOM 0 HB3 TRP A 61 16.951 -14.691 -2.349 1.00 0.00 H new ATOM 0 HD1 TRP A 61 19.817 -14.346 -2.318 1.00 0.00 H new ATOM 0 HE1 TRP A 61 21.468 -15.143 -0.493 1.00 0.00 H new ATOM 0 HE3 TRP A 61 16.496 -14.802 1.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 21.312 -15.877 2.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 17.319 -15.566 3.711 1.00 0.00 H new ATOM 0 HH2 TRP A 61 19.696 -16.095 4.052 1.00 0.00 H new ATOM 823 N PRO A 62 16.627 -11.992 -4.173 1.00 0.00 N ATOM 824 CA PRO A 62 15.816 -11.730 -5.348 1.00 0.00 C ATOM 825 C PRO A 62 15.302 -13.012 -5.986 1.00 0.00 C ATOM 826 O PRO A 62 16.035 -13.704 -6.708 1.00 0.00 O ATOM 827 CB PRO A 62 16.773 -10.998 -6.292 1.00 0.00 C ATOM 828 CG PRO A 62 18.127 -11.480 -5.908 1.00 0.00 C ATOM 829 CD PRO A 62 18.068 -11.770 -4.433 1.00 0.00 C ATOM 0 HA PRO A 62 14.922 -11.154 -5.109 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.552 -11.227 -7.335 1.00 0.00 H new ATOM 0 HB3 PRO A 62 16.691 -9.917 -6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.395 -12.375 -6.470 1.00 0.00 H new ATOM 0 HG3 PRO A 62 18.884 -10.727 -6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 62 18.661 -12.647 -4.174 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.457 -10.938 -3.846 1.00 0.00 H new ATOM 837 N ASN A 63 14.068 -13.362 -5.636 1.00 0.00 N ATOM 838 CA ASN A 63 13.368 -14.518 -6.214 1.00 0.00 C ATOM 839 C ASN A 63 13.876 -15.839 -5.611 1.00 0.00 C ATOM 840 O ASN A 63 13.408 -16.923 -5.968 1.00 0.00 O ATOM 841 CB ASN A 63 13.481 -14.499 -7.761 1.00 0.00 C ATOM 842 CG ASN A 63 12.783 -15.656 -8.444 1.00 0.00 C ATOM 843 OD1 ASN A 63 11.583 -15.605 -8.705 1.00 0.00 O ATOM 844 ND2 ASN A 63 13.532 -16.690 -8.762 1.00 0.00 N ATOM 0 H ASN A 63 13.519 -12.854 -4.942 1.00 0.00 H new ATOM 0 HA ASN A 63 12.311 -14.446 -5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 63 13.062 -13.564 -8.134 1.00 0.00 H new ATOM 0 HB3 ASN A 63 14.535 -14.509 -8.038 1.00 0.00 H new ATOM 0 HD21 ASN A 63 13.120 -17.489 -9.244 1.00 0.00 H new ATOM 0 HD22 ASN A 63 14.525 -16.692 -8.527 1.00 0.00 H new ATOM 851 N LEU A 64 14.815 -15.724 -4.663 1.00 0.00 N ATOM 852 CA LEU A 64 15.378 -16.876 -3.948 1.00 0.00 C ATOM 853 C LEU A 64 16.277 -17.729 -4.835 1.00 0.00 C ATOM 854 O LEU A 64 15.824 -18.695 -5.454 1.00 0.00 O ATOM 855 CB LEU A 64 14.278 -17.746 -3.313 1.00 0.00 C ATOM 856 CG LEU A 64 13.416 -17.067 -2.251 1.00 0.00 C ATOM 857 CD1 LEU A 64 12.304 -17.996 -1.795 1.00 0.00 C ATOM 858 CD2 LEU A 64 14.269 -16.639 -1.068 1.00 0.00 C ATOM 0 H LEU A 64 15.206 -14.829 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 64 15.995 -16.463 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.624 -18.106 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.748 -18.622 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 64 12.964 -16.178 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.700 -17.496 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.676 -18.257 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.738 -18.902 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.639 -16.157 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.748 -17.514 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.033 -15.938 -1.405 1.00 0.00 H new ATOM 870 N PRO A 65 17.561 -17.359 -4.936 1.00 0.00 N ATOM 871 CA PRO A 65 18.550 -18.147 -5.663 1.00 0.00 C ATOM 872 C PRO A 65 18.905 -19.408 -4.878 1.00 0.00 C ATOM 873 O PRO A 65 18.545 -19.537 -3.704 1.00 0.00 O ATOM 874 CB PRO A 65 19.773 -17.210 -5.752 1.00 0.00 C ATOM 875 CG PRO A 65 19.273 -15.869 -5.323 1.00 0.00 C ATOM 876 CD PRO A 65 18.143 -16.140 -4.382 1.00 0.00 C ATOM 0 HA PRO A 65 18.195 -18.476 -6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 65 20.580 -17.554 -5.106 1.00 0.00 H new ATOM 0 HB3 PRO A 65 20.170 -17.176 -6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 65 20.061 -15.296 -4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 65 18.938 -15.284 -6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 65 18.491 -16.284 -3.359 1.00 0.00 H new ATOM 0 HD3 PRO A 65 17.425 -15.320 -4.362 1.00 0.00 H new ATOM 884 N SER A 66 19.640 -20.303 -5.493 1.00 0.00 N ATOM 885 CA SER A 66 19.978 -21.560 -4.855 1.00 0.00 C ATOM 886 C SER A 66 21.219 -21.398 -3.981 1.00 0.00 C ATOM 887 O SER A 66 21.984 -20.450 -4.153 1.00 0.00 O ATOM 888 CB SER A 66 20.195 -22.645 -5.902 1.00 0.00 C ATOM 889 OG SER A 66 19.042 -22.801 -6.716 1.00 0.00 O ATOM 0 H SER A 66 20.017 -20.188 -6.434 1.00 0.00 H new ATOM 0 HA SER A 66 19.147 -21.860 -4.217 1.00 0.00 H new ATOM 0 HB2 SER A 66 21.053 -22.389 -6.524 1.00 0.00 H new ATOM 0 HB3 SER A 66 20.428 -23.589 -5.410 1.00 0.00 H new ATOM 0 HG SER A 66 19.204 -23.501 -7.382 1.00 0.00 H new ATOM 895 N ARG A 67 21.408 -22.308 -3.036 1.00 0.00 N ATOM 896 CA ARG A 67 22.573 -22.264 -2.164 1.00 0.00 C ATOM 897 C ARG A 67 23.767 -22.876 -2.876 1.00 0.00 C ATOM 898 O ARG A 67 24.919 -22.623 -2.521 1.00 0.00 O ATOM 899 CB ARG A 67 22.312 -23.029 -0.860 1.00 0.00 C ATOM 900 CG ARG A 67 21.083 -22.575 -0.074 1.00 0.00 C ATOM 901 CD ARG A 67 21.157 -21.105 0.321 1.00 0.00 C ATOM 902 NE ARG A 67 20.694 -20.216 -0.750 1.00 0.00 N ATOM 903 CZ ARG A 67 21.167 -18.985 -0.970 1.00 0.00 C ATOM 904 NH1 ARG A 67 22.112 -18.485 -0.187 1.00 0.00 N ATOM 905 NH2 ARG A 67 20.684 -18.255 -1.971 1.00 0.00 N ATOM 0 H ARG A 67 20.771 -23.084 -2.854 1.00 0.00 H new ATOM 0 HA ARG A 67 22.779 -21.222 -1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 67 22.203 -24.088 -1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 67 23.189 -22.933 -0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 67 20.189 -22.743 -0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 67 20.983 -23.185 0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 67 20.553 -20.940 1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 67 22.185 -20.852 0.581 1.00 0.00 H new ATOM 0 HE ARG A 67 19.961 -20.561 -1.370 1.00 0.00 H new ATOM 0 HH11 ARG A 67 22.480 -19.040 0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 67 22.471 -17.546 -0.357 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.952 -18.634 -2.572 1.00 0.00 H new ATOM 0 HH22 ARG A 67 21.045 -17.316 -2.138 1.00 0.00 H new ATOM 919 N GLY A 68 23.479 -23.679 -3.880 1.00 0.00 N ATOM 920 CA GLY A 68 24.511 -24.315 -4.643 1.00 0.00 C ATOM 921 C GLY A 68 23.945 -25.005 -5.858 1.00 0.00 C ATOM 922 O GLY A 68 22.906 -24.547 -6.376 1.00 0.00 O ATOM 923 OXT GLY A 68 24.521 -26.019 -6.300 1.00 0.00 O ATOM 0 H GLY A 68 22.530 -23.902 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 68 25.247 -23.573 -4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 68 25.033 -25.041 -4.019 1.00 0.00 H new TER 927 GLY A 68