USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 596 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 MET CE :methyl -143:sc= -0.249 (180deg=-1.08) USER MOD Single : A 1 MET N :NH3+ -157:sc=-0.00987 (180deg=-0.185) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0859 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.225 K(o=-0.23,f=-2.3!) USER MOD Single : A 22 SER OG : rot 84:sc= 0.201 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 26 MET CE :methyl -142:sc= -0.255 (180deg=-2.14!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot -3:sc= -0.0476 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0942 X(o=-0.094,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00578 USER MOD Single : A 40 HIS : no HD1:sc= -0.0767 X(o=-0.077,f=-0.23) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.029) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -170:sc=-0.00287 (180deg=-0.0465) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.342 USER MOD Single : A 67 SER OG : rot -45:sc= 0.489 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.248 28.120 14.432 1.00 0.00 N ATOM 2 CA MET A 1 46.790 26.732 14.470 1.00 0.00 C ATOM 3 C MET A 1 47.253 26.328 13.066 1.00 0.00 C ATOM 4 O MET A 1 46.639 25.508 12.409 1.00 0.00 O ATOM 5 CB MET A 1 45.698 25.775 14.955 1.00 0.00 C ATOM 6 CG MET A 1 45.513 25.937 16.467 1.00 0.00 C ATOM 7 SD MET A 1 46.520 24.711 17.341 1.00 0.00 S ATOM 8 CE MET A 1 45.570 23.250 16.853 1.00 0.00 C ATOM 0 H1 MET A 1 46.297 28.538 15.383 1.00 0.00 H new ATOM 0 H2 MET A 1 46.810 28.694 13.772 1.00 0.00 H new ATOM 0 H3 MET A 1 45.258 28.097 14.115 1.00 0.00 H new ATOM 0 HA MET A 1 47.638 26.686 15.154 1.00 0.00 H new ATOM 0 HB2 MET A 1 44.761 25.983 14.439 1.00 0.00 H new ATOM 0 HB3 MET A 1 45.970 24.746 14.719 1.00 0.00 H new ATOM 0 HG2 MET A 1 45.801 26.943 16.773 1.00 0.00 H new ATOM 0 HG3 MET A 1 44.462 25.813 16.730 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.536 22.544 17.683 1.00 0.00 H new ATOM 0 HE2 MET A 1 44.555 23.548 16.588 1.00 0.00 H new ATOM 0 HE3 MET A 1 46.045 22.777 15.994 1.00 0.00 H new ATOM 20 N GLU A 2 48.337 26.901 12.606 1.00 0.00 N ATOM 21 CA GLU A 2 48.856 26.561 11.249 1.00 0.00 C ATOM 22 C GLU A 2 50.203 25.851 11.388 1.00 0.00 C ATOM 23 O GLU A 2 50.443 24.830 10.771 1.00 0.00 O ATOM 24 CB GLU A 2 49.040 27.844 10.435 1.00 0.00 C ATOM 25 CG GLU A 2 47.779 28.114 9.612 1.00 0.00 C ATOM 26 CD GLU A 2 48.008 29.329 8.710 1.00 0.00 C ATOM 27 OE1 GLU A 2 48.814 29.223 7.801 1.00 0.00 O ATOM 28 OE2 GLU A 2 47.372 30.343 8.944 1.00 0.00 O ATOM 0 H GLU A 2 48.886 27.593 13.116 1.00 0.00 H new ATOM 0 HA GLU A 2 48.147 25.908 10.740 1.00 0.00 H new ATOM 0 HB2 GLU A 2 49.239 28.684 11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 2 49.903 27.748 9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 2 47.532 27.241 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 2 46.932 28.294 10.274 1.00 0.00 H new ATOM 35 N THR A 3 51.079 26.387 12.199 1.00 0.00 N ATOM 36 CA THR A 3 52.415 25.751 12.393 1.00 0.00 C ATOM 37 C THR A 3 52.307 24.671 13.473 1.00 0.00 C ATOM 38 O THR A 3 52.725 24.861 14.600 1.00 0.00 O ATOM 39 CB THR A 3 53.440 26.808 12.823 1.00 0.00 C ATOM 40 OG1 THR A 3 52.787 27.848 13.538 1.00 0.00 O ATOM 41 CG2 THR A 3 54.125 27.389 11.586 1.00 0.00 C ATOM 0 H THR A 3 50.925 27.240 12.736 1.00 0.00 H new ATOM 0 HA THR A 3 52.741 25.302 11.455 1.00 0.00 H new ATOM 0 HB THR A 3 54.187 26.344 13.467 1.00 0.00 H new ATOM 0 HG1 THR A 3 53.446 28.520 13.812 1.00 0.00 H new ATOM 0 HG21 THR A 3 54.853 28.140 11.892 1.00 0.00 H new ATOM 0 HG22 THR A 3 54.633 26.592 11.043 1.00 0.00 H new ATOM 0 HG23 THR A 3 53.378 27.850 10.939 1.00 0.00 H new ATOM 49 N LEU A 4 51.744 23.539 13.133 1.00 0.00 N ATOM 50 CA LEU A 4 51.598 22.439 14.129 1.00 0.00 C ATOM 51 C LEU A 4 51.985 21.111 13.480 1.00 0.00 C ATOM 52 O LEU A 4 52.906 20.442 13.910 1.00 0.00 O ATOM 53 CB LEU A 4 50.145 22.372 14.605 1.00 0.00 C ATOM 54 CG LEU A 4 50.025 21.363 15.753 1.00 0.00 C ATOM 55 CD1 LEU A 4 50.039 22.103 17.092 1.00 0.00 C ATOM 56 CD2 LEU A 4 48.712 20.589 15.618 1.00 0.00 C ATOM 0 H LEU A 4 51.378 23.330 12.204 1.00 0.00 H new ATOM 0 HA LEU A 4 52.250 22.630 14.981 1.00 0.00 H new ATOM 0 HB2 LEU A 4 49.815 23.356 14.937 1.00 0.00 H new ATOM 0 HB3 LEU A 4 49.495 22.079 13.781 1.00 0.00 H new ATOM 0 HG LEU A 4 50.865 20.670 15.711 1.00 0.00 H new ATOM 0 HD11 LEU A 4 49.954 21.383 17.906 1.00 0.00 H new ATOM 0 HD12 LEU A 4 50.973 22.656 17.193 1.00 0.00 H new ATOM 0 HD13 LEU A 4 49.200 22.798 17.132 1.00 0.00 H new ATOM 0 HD21 LEU A 4 48.627 19.872 16.434 1.00 0.00 H new ATOM 0 HD22 LEU A 4 47.874 21.285 15.657 1.00 0.00 H new ATOM 0 HD23 LEU A 4 48.699 20.058 14.666 1.00 0.00 H new ATOM 68 N VAL A 5 51.281 20.727 12.450 1.00 0.00 N ATOM 69 CA VAL A 5 51.583 19.446 11.760 1.00 0.00 C ATOM 70 C VAL A 5 52.447 19.712 10.523 1.00 0.00 C ATOM 71 O VAL A 5 52.361 19.007 9.535 1.00 0.00 O ATOM 72 CB VAL A 5 50.269 18.792 11.334 1.00 0.00 C ATOM 73 CG1 VAL A 5 49.464 18.403 12.576 1.00 0.00 C ATOM 74 CG2 VAL A 5 49.453 19.774 10.487 1.00 0.00 C ATOM 0 H VAL A 5 50.502 21.254 12.055 1.00 0.00 H new ATOM 0 HA VAL A 5 52.126 18.785 12.436 1.00 0.00 H new ATOM 0 HB VAL A 5 50.487 17.901 10.746 1.00 0.00 H new ATOM 0 HG11 VAL A 5 48.527 17.937 12.271 1.00 0.00 H new ATOM 0 HG12 VAL A 5 50.040 17.700 13.178 1.00 0.00 H new ATOM 0 HG13 VAL A 5 49.250 19.295 13.165 1.00 0.00 H new ATOM 0 HG21 VAL A 5 48.517 19.304 10.185 1.00 0.00 H new ATOM 0 HG22 VAL A 5 49.238 20.668 11.072 1.00 0.00 H new ATOM 0 HG23 VAL A 5 50.023 20.050 9.600 1.00 0.00 H new ATOM 84 N GLN A 6 53.278 20.724 10.570 1.00 0.00 N ATOM 85 CA GLN A 6 54.150 21.037 9.398 1.00 0.00 C ATOM 86 C GLN A 6 55.500 20.335 9.563 1.00 0.00 C ATOM 87 O GLN A 6 56.319 20.729 10.372 1.00 0.00 O ATOM 88 CB GLN A 6 54.367 22.551 9.311 1.00 0.00 C ATOM 89 CG GLN A 6 53.386 23.154 8.302 1.00 0.00 C ATOM 90 CD GLN A 6 53.525 24.677 8.303 1.00 0.00 C ATOM 91 OE1 GLN A 6 54.616 25.199 8.180 1.00 0.00 O ATOM 92 NE2 GLN A 6 52.459 25.418 8.437 1.00 0.00 N ATOM 0 H GLN A 6 53.389 21.347 11.370 1.00 0.00 H new ATOM 0 HA GLN A 6 53.669 20.687 8.485 1.00 0.00 H new ATOM 0 HB2 GLN A 6 54.222 23.006 10.291 1.00 0.00 H new ATOM 0 HB3 GLN A 6 55.392 22.765 9.009 1.00 0.00 H new ATOM 0 HG2 GLN A 6 53.585 22.761 7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 6 52.365 22.871 8.558 1.00 0.00 H new ATOM 0 HE21 GLN A 6 51.543 24.980 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 6 52.541 26.435 8.438 1.00 0.00 H new ATOM 101 N ALA A 7 55.732 19.297 8.800 1.00 0.00 N ATOM 102 CA ALA A 7 57.022 18.558 8.902 1.00 0.00 C ATOM 103 C ALA A 7 58.171 19.463 8.446 1.00 0.00 C ATOM 104 O ALA A 7 58.021 20.666 8.341 1.00 0.00 O ATOM 105 CB ALA A 7 56.964 17.314 8.012 1.00 0.00 C ATOM 0 H ALA A 7 55.079 18.930 8.108 1.00 0.00 H new ATOM 0 HA ALA A 7 57.190 18.259 9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 7 57.906 16.771 8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 7 56.148 16.670 8.340 1.00 0.00 H new ATOM 0 HB3 ALA A 7 56.797 17.614 6.978 1.00 0.00 H new ATOM 111 N ARG A 8 59.317 18.889 8.174 1.00 0.00 N ATOM 112 CA ARG A 8 60.480 19.700 7.725 1.00 0.00 C ATOM 113 C ARG A 8 61.144 19.024 6.521 1.00 0.00 C ATOM 114 O ARG A 8 61.493 19.673 5.552 1.00 0.00 O ATOM 115 CB ARG A 8 61.491 19.825 8.868 1.00 0.00 C ATOM 116 CG ARG A 8 61.251 21.136 9.622 1.00 0.00 C ATOM 117 CD ARG A 8 61.756 20.999 11.059 1.00 0.00 C ATOM 118 NE ARG A 8 60.725 20.310 11.884 1.00 0.00 N ATOM 119 CZ ARG A 8 60.004 20.992 12.733 1.00 0.00 C ATOM 120 NH1 ARG A 8 58.888 21.547 12.345 1.00 0.00 N ATOM 121 NH2 ARG A 8 60.402 21.122 13.969 1.00 0.00 N ATOM 0 H ARG A 8 59.493 17.887 8.246 1.00 0.00 H new ATOM 0 HA ARG A 8 60.138 20.694 7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 8 61.393 18.979 9.548 1.00 0.00 H new ATOM 0 HB3 ARG A 8 62.507 19.801 8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 8 61.766 21.955 9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 8 60.188 21.379 9.620 1.00 0.00 H new ATOM 0 HD2 ARG A 8 62.688 20.434 11.076 1.00 0.00 H new ATOM 0 HD3 ARG A 8 61.972 21.983 11.475 1.00 0.00 H new ATOM 0 HE ARG A 8 60.582 19.305 11.786 1.00 0.00 H new ATOM 0 HH11 ARG A 8 58.578 21.448 11.378 1.00 0.00 H new ATOM 0 HH12 ARG A 8 58.326 22.079 13.009 1.00 0.00 H new ATOM 0 HH21 ARG A 8 61.276 20.691 14.271 1.00 0.00 H new ATOM 0 HH22 ARG A 8 59.839 21.655 14.633 1.00 0.00 H new ATOM 135 N LYS A 9 61.316 17.727 6.575 1.00 0.00 N ATOM 136 CA LYS A 9 61.949 17.002 5.442 1.00 0.00 C ATOM 137 C LYS A 9 61.439 15.557 5.414 1.00 0.00 C ATOM 138 O LYS A 9 62.180 14.618 5.639 1.00 0.00 O ATOM 139 CB LYS A 9 63.471 17.019 5.608 1.00 0.00 C ATOM 140 CG LYS A 9 64.044 18.262 4.923 1.00 0.00 C ATOM 141 CD LYS A 9 65.494 17.998 4.499 1.00 0.00 C ATOM 142 CE LYS A 9 65.734 18.566 3.098 1.00 0.00 C ATOM 143 NZ LYS A 9 65.984 20.032 3.191 1.00 0.00 N ATOM 0 H LYS A 9 61.042 17.140 7.362 1.00 0.00 H new ATOM 0 HA LYS A 9 61.690 17.491 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 9 63.732 17.021 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 9 63.905 16.118 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 9 63.441 18.519 4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 9 64.003 19.114 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.180 18.457 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 9 65.696 16.927 4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.587 18.070 2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 9 64.869 18.374 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 66.147 20.417 2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 65.158 20.499 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 66.822 20.204 3.782 1.00 0.00 H new ATOM 157 N ARG A 10 60.173 15.378 5.133 1.00 0.00 N ATOM 158 CA ARG A 10 59.594 14.008 5.079 1.00 0.00 C ATOM 159 C ARG A 10 58.355 14.015 4.175 1.00 0.00 C ATOM 160 O ARG A 10 57.453 13.214 4.337 1.00 0.00 O ATOM 161 CB ARG A 10 59.204 13.564 6.497 1.00 0.00 C ATOM 162 CG ARG A 10 59.735 12.150 6.764 1.00 0.00 C ATOM 163 CD ARG A 10 61.043 12.234 7.553 1.00 0.00 C ATOM 164 NE ARG A 10 61.606 10.866 7.728 1.00 0.00 N ATOM 165 CZ ARG A 10 62.832 10.615 7.358 1.00 0.00 C ATOM 166 NH1 ARG A 10 63.827 10.938 8.137 1.00 0.00 N ATOM 167 NH2 ARG A 10 63.062 10.042 6.208 1.00 0.00 N ATOM 0 H ARG A 10 59.513 16.131 4.938 1.00 0.00 H new ATOM 0 HA ARG A 10 60.329 13.313 4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 10 59.611 14.260 7.231 1.00 0.00 H new ATOM 0 HB3 ARG A 10 58.120 13.582 6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 10 58.998 11.573 7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 10 59.900 11.628 5.821 1.00 0.00 H new ATOM 0 HD2 ARG A 10 61.757 12.868 7.028 1.00 0.00 H new ATOM 0 HD3 ARG A 10 60.865 12.693 8.526 1.00 0.00 H new ATOM 0 HE ARG A 10 61.034 10.127 8.136 1.00 0.00 H new ATOM 0 HH11 ARG A 10 63.647 11.387 9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 10 64.785 10.742 7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 10 62.284 9.791 5.599 1.00 0.00 H new ATOM 0 HH22 ARG A 10 64.020 9.846 5.919 1.00 0.00 H new ATOM 181 N LYS A 11 58.307 14.919 3.229 1.00 0.00 N ATOM 182 CA LYS A 11 57.138 14.998 2.312 1.00 0.00 C ATOM 183 C LYS A 11 57.287 13.950 1.203 1.00 0.00 C ATOM 184 O LYS A 11 58.109 13.058 1.292 1.00 0.00 O ATOM 185 CB LYS A 11 57.085 16.405 1.702 1.00 0.00 C ATOM 186 CG LYS A 11 55.991 17.231 2.392 1.00 0.00 C ATOM 187 CD LYS A 11 56.626 18.167 3.424 1.00 0.00 C ATOM 188 CE LYS A 11 56.880 19.533 2.784 1.00 0.00 C ATOM 189 NZ LYS A 11 57.268 20.512 3.839 1.00 0.00 N ATOM 0 H LYS A 11 59.036 15.610 3.054 1.00 0.00 H new ATOM 0 HA LYS A 11 56.216 14.802 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 11 58.051 16.897 1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 11 56.884 16.340 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 11 55.438 17.810 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 11 55.275 16.569 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 11 55.969 18.274 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 11 57.562 17.744 3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 11 57.670 19.455 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 11 55.984 19.876 2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 57.441 21.441 3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 56.501 20.593 4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 58.134 20.186 4.314 1.00 0.00 H new ATOM 203 N ARG A 12 56.497 14.053 0.161 1.00 0.00 N ATOM 204 CA ARG A 12 56.588 13.071 -0.960 1.00 0.00 C ATOM 205 C ARG A 12 57.644 13.548 -1.965 1.00 0.00 C ATOM 206 O ARG A 12 57.333 13.901 -3.089 1.00 0.00 O ATOM 207 CB ARG A 12 55.226 12.963 -1.653 1.00 0.00 C ATOM 208 CG ARG A 12 54.158 12.577 -0.627 1.00 0.00 C ATOM 209 CD ARG A 12 52.836 13.254 -0.991 1.00 0.00 C ATOM 210 NE ARG A 12 52.942 14.718 -0.738 1.00 0.00 N ATOM 211 CZ ARG A 12 51.877 15.469 -0.800 1.00 0.00 C ATOM 212 NH1 ARG A 12 50.991 15.423 0.157 1.00 0.00 N ATOM 213 NH2 ARG A 12 51.698 16.265 -1.818 1.00 0.00 N ATOM 0 H ARG A 12 55.791 14.779 0.041 1.00 0.00 H new ATOM 0 HA ARG A 12 56.873 12.093 -0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 12 54.968 13.913 -2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 12 55.269 12.217 -2.447 1.00 0.00 H new ATOM 0 HG2 ARG A 12 54.032 11.495 -0.607 1.00 0.00 H new ATOM 0 HG3 ARG A 12 54.471 12.880 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 12 52.598 13.071 -2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 12 52.023 12.830 -0.401 1.00 0.00 H new ATOM 0 HE ARG A 12 53.847 15.133 -0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 12 51.131 14.800 0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 12 50.158 16.010 0.109 1.00 0.00 H new ATOM 0 HH21 ARG A 12 52.391 16.300 -2.566 1.00 0.00 H new ATOM 0 HH22 ARG A 12 50.865 16.852 -1.866 1.00 0.00 H new ATOM 227 N THR A 13 58.892 13.557 -1.568 1.00 0.00 N ATOM 228 CA THR A 13 59.972 14.002 -2.494 1.00 0.00 C ATOM 229 C THR A 13 60.300 12.855 -3.443 1.00 0.00 C ATOM 230 O THR A 13 60.528 13.053 -4.621 1.00 0.00 O ATOM 231 CB THR A 13 61.219 14.378 -1.689 1.00 0.00 C ATOM 232 OG1 THR A 13 60.831 15.096 -0.526 1.00 0.00 O ATOM 233 CG2 THR A 13 62.138 15.249 -2.547 1.00 0.00 C ATOM 0 H THR A 13 59.208 13.274 -0.640 1.00 0.00 H new ATOM 0 HA THR A 13 59.642 14.873 -3.061 1.00 0.00 H new ATOM 0 HB THR A 13 61.750 13.472 -1.396 1.00 0.00 H new ATOM 0 HG1 THR A 13 61.628 15.336 -0.009 1.00 0.00 H new ATOM 0 HG21 THR A 13 63.026 15.516 -1.974 1.00 0.00 H new ATOM 0 HG22 THR A 13 62.435 14.697 -3.438 1.00 0.00 H new ATOM 0 HG23 THR A 13 61.609 16.156 -2.841 1.00 0.00 H new ATOM 241 N SER A 14 60.307 11.652 -2.931 1.00 0.00 N ATOM 242 CA SER A 14 60.599 10.469 -3.790 1.00 0.00 C ATOM 243 C SER A 14 59.951 9.216 -3.195 1.00 0.00 C ATOM 244 O SER A 14 60.379 8.109 -3.449 1.00 0.00 O ATOM 245 CB SER A 14 62.114 10.274 -3.895 1.00 0.00 C ATOM 246 OG SER A 14 62.455 9.971 -5.241 1.00 0.00 O ATOM 0 H SER A 14 60.122 11.438 -1.951 1.00 0.00 H new ATOM 0 HA SER A 14 60.188 10.638 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 14 62.632 11.177 -3.571 1.00 0.00 H new ATOM 0 HB3 SER A 14 62.435 9.468 -3.236 1.00 0.00 H new ATOM 0 HG SER A 14 63.424 9.847 -5.313 1.00 0.00 H new ATOM 252 N ILE A 15 58.906 9.393 -2.430 1.00 0.00 N ATOM 253 CA ILE A 15 58.190 8.230 -1.820 1.00 0.00 C ATOM 254 C ILE A 15 56.730 8.622 -1.579 1.00 0.00 C ATOM 255 O ILE A 15 56.285 8.772 -0.455 1.00 0.00 O ATOM 256 CB ILE A 15 58.876 7.807 -0.497 1.00 0.00 C ATOM 257 CG1 ILE A 15 60.224 7.132 -0.802 1.00 0.00 C ATOM 258 CG2 ILE A 15 57.997 6.813 0.286 1.00 0.00 C ATOM 259 CD1 ILE A 15 60.008 5.875 -1.663 1.00 0.00 C ATOM 0 H ILE A 15 58.512 10.305 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 15 58.226 7.377 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 15 59.027 8.703 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 15 60.879 7.830 -1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 15 60.723 6.862 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 15 58.501 6.532 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 15 57.041 7.280 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 15 57.826 5.923 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 15 60.970 5.407 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 15 59.371 5.172 -1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 15 59.530 6.155 -2.602 1.00 0.00 H new ATOM 271 N GLU A 16 55.981 8.761 -2.637 1.00 0.00 N ATOM 272 CA GLU A 16 54.551 9.102 -2.500 1.00 0.00 C ATOM 273 C GLU A 16 53.844 7.892 -1.901 1.00 0.00 C ATOM 274 O GLU A 16 54.344 6.784 -1.961 1.00 0.00 O ATOM 275 CB GLU A 16 53.966 9.418 -3.881 1.00 0.00 C ATOM 276 CG GLU A 16 52.992 10.594 -3.774 1.00 0.00 C ATOM 277 CD GLU A 16 52.424 10.911 -5.159 1.00 0.00 C ATOM 278 OE1 GLU A 16 51.795 10.038 -5.734 1.00 0.00 O ATOM 279 OE2 GLU A 16 52.629 12.021 -5.621 1.00 0.00 O ATOM 0 H GLU A 16 56.308 8.650 -3.597 1.00 0.00 H new ATOM 0 HA GLU A 16 54.420 9.974 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 16 54.767 9.660 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.452 8.543 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.184 10.350 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 16 53.503 11.468 -3.369 1.00 0.00 H new ATOM 286 N ASN A 17 52.694 8.089 -1.325 1.00 0.00 N ATOM 287 CA ASN A 17 51.954 6.940 -0.727 1.00 0.00 C ATOM 288 C ASN A 17 51.599 5.938 -1.827 1.00 0.00 C ATOM 289 O ASN A 17 51.401 4.766 -1.565 1.00 0.00 O ATOM 290 CB ASN A 17 50.677 7.444 -0.049 1.00 0.00 C ATOM 291 CG ASN A 17 50.931 7.632 1.448 1.00 0.00 C ATOM 292 OD1 ASN A 17 51.733 6.930 2.033 1.00 0.00 O ATOM 293 ND2 ASN A 17 50.280 8.557 2.099 1.00 0.00 N ATOM 0 H ASN A 17 52.232 8.995 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 17 52.581 6.451 0.018 1.00 0.00 H new ATOM 0 HB2 ASN A 17 50.364 8.387 -0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 17 49.866 6.733 -0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 17 50.444 8.690 3.097 1.00 0.00 H new ATOM 0 HD22 ASN A 17 49.607 9.147 1.610 1.00 0.00 H new ATOM 300 N ARG A 18 51.532 6.386 -3.058 1.00 0.00 N ATOM 301 CA ARG A 18 51.209 5.458 -4.174 1.00 0.00 C ATOM 302 C ARG A 18 52.477 4.695 -4.565 1.00 0.00 C ATOM 303 O ARG A 18 52.410 3.578 -5.043 1.00 0.00 O ATOM 304 CB ARG A 18 50.684 6.260 -5.376 1.00 0.00 C ATOM 305 CG ARG A 18 49.349 5.675 -5.847 1.00 0.00 C ATOM 306 CD ARG A 18 48.718 6.608 -6.884 1.00 0.00 C ATOM 307 NE ARG A 18 47.236 6.601 -6.720 1.00 0.00 N ATOM 308 CZ ARG A 18 46.466 6.971 -7.708 1.00 0.00 C ATOM 309 NH1 ARG A 18 46.562 8.178 -8.195 1.00 0.00 N ATOM 310 NH2 ARG A 18 45.596 6.135 -8.206 1.00 0.00 N ATOM 0 H ARG A 18 51.688 7.356 -3.333 1.00 0.00 H new ATOM 0 HA ARG A 18 50.440 4.751 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 18 50.555 7.306 -5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 18 51.410 6.233 -6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 18 49.506 4.687 -6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 18 48.676 5.549 -4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 18 49.104 7.620 -6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 18 48.985 6.285 -7.890 1.00 0.00 H new ATOM 0 HE ARG A 18 46.823 6.307 -5.835 1.00 0.00 H new ATOM 0 HH11 ARG A 18 47.239 8.833 -7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 18 45.960 8.466 -8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 18 45.517 5.193 -7.824 1.00 0.00 H new ATOM 0 HH22 ARG A 18 44.995 6.424 -8.978 1.00 0.00 H new ATOM 324 N VAL A 19 53.634 5.288 -4.364 1.00 0.00 N ATOM 325 CA VAL A 19 54.899 4.586 -4.726 1.00 0.00 C ATOM 326 C VAL A 19 55.056 3.353 -3.843 1.00 0.00 C ATOM 327 O VAL A 19 55.403 2.294 -4.311 1.00 0.00 O ATOM 328 CB VAL A 19 56.118 5.550 -4.613 1.00 0.00 C ATOM 329 CG1 VAL A 19 56.888 5.436 -3.275 1.00 0.00 C ATOM 330 CG2 VAL A 19 57.083 5.221 -5.752 1.00 0.00 C ATOM 0 H VAL A 19 53.751 6.221 -3.968 1.00 0.00 H new ATOM 0 HA VAL A 19 54.856 4.260 -5.765 1.00 0.00 H new ATOM 0 HB VAL A 19 55.730 6.567 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 19 57.721 6.138 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 19 56.217 5.668 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 19 57.269 4.421 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 19 57.948 5.882 -5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 19 57.411 4.185 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 19 56.579 5.361 -6.708 1.00 0.00 H new ATOM 340 N ARG A 20 54.833 3.501 -2.563 1.00 0.00 N ATOM 341 CA ARG A 20 54.984 2.336 -1.636 1.00 0.00 C ATOM 342 C ARG A 20 54.027 1.222 -2.039 1.00 0.00 C ATOM 343 O ARG A 20 54.425 0.080 -2.187 1.00 0.00 O ATOM 344 CB ARG A 20 54.694 2.775 -0.200 1.00 0.00 C ATOM 345 CG ARG A 20 55.886 3.564 0.342 1.00 0.00 C ATOM 346 CD ARG A 20 55.818 3.612 1.870 1.00 0.00 C ATOM 347 NE ARG A 20 55.151 4.874 2.298 1.00 0.00 N ATOM 348 CZ ARG A 20 55.483 5.436 3.428 1.00 0.00 C ATOM 349 NH1 ARG A 20 55.254 4.820 4.555 1.00 0.00 N ATOM 350 NH2 ARG A 20 56.041 6.615 3.432 1.00 0.00 N ATOM 0 H ARG A 20 54.553 4.375 -2.119 1.00 0.00 H new ATOM 0 HA ARG A 20 56.007 1.964 -1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 20 53.794 3.389 -0.171 1.00 0.00 H new ATOM 0 HB3 ARG A 20 54.506 1.904 0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 20 56.818 3.098 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 20 55.881 4.575 -0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 20 55.267 2.751 2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 20 56.822 3.558 2.291 1.00 0.00 H new ATOM 0 HE ARG A 20 54.435 5.298 1.708 1.00 0.00 H new ATOM 0 HH11 ARG A 20 54.815 3.899 4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 20 55.514 5.259 5.438 1.00 0.00 H new ATOM 0 HH21 ARG A 20 56.218 7.098 2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 20 56.300 7.054 4.316 1.00 0.00 H new ATOM 364 N TRP A 21 52.777 1.533 -2.232 1.00 0.00 N ATOM 365 CA TRP A 21 51.821 0.466 -2.639 1.00 0.00 C ATOM 366 C TRP A 21 51.994 0.144 -4.127 1.00 0.00 C ATOM 367 O TRP A 21 51.476 -0.842 -4.617 1.00 0.00 O ATOM 368 CB TRP A 21 50.400 0.841 -2.199 1.00 0.00 C ATOM 369 CG TRP A 21 50.478 1.085 -0.712 1.00 0.00 C ATOM 370 CD1 TRP A 21 49.894 2.108 -0.046 1.00 0.00 C ATOM 371 CD2 TRP A 21 51.238 0.329 0.293 1.00 0.00 C ATOM 372 NE1 TRP A 21 50.251 2.033 1.295 1.00 0.00 N ATOM 373 CE2 TRP A 21 51.080 0.954 1.549 1.00 0.00 C ATOM 374 CE3 TRP A 21 52.044 -0.829 0.235 1.00 0.00 C ATOM 375 CZ2 TRP A 21 51.709 0.452 2.699 1.00 0.00 C ATOM 376 CZ3 TRP A 21 52.670 -1.330 1.375 1.00 0.00 C ATOM 377 CH2 TRP A 21 52.511 -0.689 2.606 1.00 0.00 C ATOM 0 H TRP A 21 52.379 2.466 -2.128 1.00 0.00 H new ATOM 0 HA TRP A 21 52.035 -0.471 -2.126 1.00 0.00 H new ATOM 0 HB2 TRP A 21 50.051 1.731 -2.723 1.00 0.00 H new ATOM 0 HB3 TRP A 21 49.696 0.040 -2.427 1.00 0.00 H new ATOM 0 HD1 TRP A 21 49.255 2.860 -0.485 1.00 0.00 H new ATOM 0 HE1 TRP A 21 49.939 2.694 2.007 1.00 0.00 H new ATOM 0 HE3 TRP A 21 52.178 -1.335 -0.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 51.574 0.945 3.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 53.281 -2.218 1.306 1.00 0.00 H new ATOM 0 HH2 TRP A 21 53.007 -1.074 3.485 1.00 0.00 H new ATOM 388 N SER A 22 52.838 0.889 -4.813 1.00 0.00 N ATOM 389 CA SER A 22 53.177 0.538 -6.208 1.00 0.00 C ATOM 390 C SER A 22 54.189 -0.611 -6.083 1.00 0.00 C ATOM 391 O SER A 22 54.156 -1.574 -6.826 1.00 0.00 O ATOM 392 CB SER A 22 53.806 1.735 -6.922 1.00 0.00 C ATOM 393 OG SER A 22 52.810 2.396 -7.693 1.00 0.00 O ATOM 0 H SER A 22 53.300 1.724 -4.453 1.00 0.00 H new ATOM 0 HA SER A 22 52.300 0.254 -6.790 1.00 0.00 H new ATOM 0 HB2 SER A 22 54.236 2.423 -6.194 1.00 0.00 H new ATOM 0 HB3 SER A 22 54.620 1.403 -7.566 1.00 0.00 H new ATOM 0 HG SER A 22 52.314 3.019 -7.122 1.00 0.00 H new ATOM 399 N LEU A 23 55.048 -0.544 -5.068 1.00 0.00 N ATOM 400 CA LEU A 23 56.015 -1.654 -4.798 1.00 0.00 C ATOM 401 C LEU A 23 55.184 -2.913 -4.612 1.00 0.00 C ATOM 402 O LEU A 23 55.475 -3.961 -5.141 1.00 0.00 O ATOM 403 CB LEU A 23 56.738 -1.436 -3.460 1.00 0.00 C ATOM 404 CG LEU A 23 57.593 -0.181 -3.429 1.00 0.00 C ATOM 405 CD1 LEU A 23 57.667 0.279 -1.967 1.00 0.00 C ATOM 406 CD2 LEU A 23 59.004 -0.513 -3.927 1.00 0.00 C ATOM 0 H LEU A 23 55.110 0.241 -4.420 1.00 0.00 H new ATOM 0 HA LEU A 23 56.738 -1.709 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 23 55.998 -1.382 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.368 -2.300 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 23 57.168 0.596 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.274 1.182 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 23 56.662 0.490 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 23 58.117 -0.507 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.619 0.387 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.448 -1.272 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.950 -0.891 -4.948 1.00 0.00 H new ATOM 418 N GLU A 24 54.142 -2.782 -3.829 1.00 0.00 N ATOM 419 CA GLU A 24 53.238 -3.936 -3.544 1.00 0.00 C ATOM 420 C GLU A 24 52.718 -4.538 -4.854 1.00 0.00 C ATOM 421 O GLU A 24 52.616 -5.739 -4.991 1.00 0.00 O ATOM 422 CB GLU A 24 52.051 -3.448 -2.699 1.00 0.00 C ATOM 423 CG GLU A 24 52.164 -3.996 -1.274 1.00 0.00 C ATOM 424 CD GLU A 24 51.558 -5.400 -1.215 1.00 0.00 C ATOM 425 OE1 GLU A 24 52.033 -6.261 -1.939 1.00 0.00 O ATOM 426 OE2 GLU A 24 50.628 -5.590 -0.448 1.00 0.00 O ATOM 0 H GLU A 24 53.877 -1.911 -3.369 1.00 0.00 H new ATOM 0 HA GLU A 24 53.793 -4.701 -3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 24 52.032 -2.358 -2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 24 51.114 -3.775 -3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 24 53.209 -4.027 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 24 51.647 -3.336 -0.578 1.00 0.00 H new ATOM 433 N THR A 25 52.387 -3.712 -5.813 1.00 0.00 N ATOM 434 CA THR A 25 51.871 -4.236 -7.113 1.00 0.00 C ATOM 435 C THR A 25 52.946 -5.099 -7.774 1.00 0.00 C ATOM 436 O THR A 25 52.655 -6.106 -8.393 1.00 0.00 O ATOM 437 CB THR A 25 51.519 -3.064 -8.035 1.00 0.00 C ATOM 438 OG1 THR A 25 50.994 -1.996 -7.258 1.00 0.00 O ATOM 439 CG2 THR A 25 50.477 -3.504 -9.070 1.00 0.00 C ATOM 0 H THR A 25 52.452 -2.696 -5.752 1.00 0.00 H new ATOM 0 HA THR A 25 50.979 -4.836 -6.935 1.00 0.00 H new ATOM 0 HB THR A 25 52.419 -2.734 -8.555 1.00 0.00 H new ATOM 0 HG1 THR A 25 50.769 -1.244 -7.845 1.00 0.00 H new ATOM 0 HG21 THR A 25 50.233 -2.664 -9.721 1.00 0.00 H new ATOM 0 HG22 THR A 25 50.881 -4.321 -9.668 1.00 0.00 H new ATOM 0 HG23 THR A 25 49.575 -3.840 -8.558 1.00 0.00 H new ATOM 447 N MET A 26 54.184 -4.704 -7.649 1.00 0.00 N ATOM 448 CA MET A 26 55.293 -5.488 -8.275 1.00 0.00 C ATOM 449 C MET A 26 55.615 -6.738 -7.442 1.00 0.00 C ATOM 450 O MET A 26 56.155 -7.702 -7.952 1.00 0.00 O ATOM 451 CB MET A 26 56.542 -4.610 -8.365 1.00 0.00 C ATOM 452 CG MET A 26 57.607 -5.328 -9.195 1.00 0.00 C ATOM 453 SD MET A 26 59.117 -4.330 -9.234 1.00 0.00 S ATOM 454 CE MET A 26 58.427 -2.913 -10.121 1.00 0.00 C ATOM 0 H MET A 26 54.478 -3.871 -7.140 1.00 0.00 H new ATOM 0 HA MET A 26 54.979 -5.802 -9.270 1.00 0.00 H new ATOM 0 HB2 MET A 26 56.294 -3.651 -8.821 1.00 0.00 H new ATOM 0 HB3 MET A 26 56.924 -4.399 -7.366 1.00 0.00 H new ATOM 0 HG2 MET A 26 57.817 -6.308 -8.767 1.00 0.00 H new ATOM 0 HG3 MET A 26 57.242 -5.494 -10.209 1.00 0.00 H new ATOM 0 HE1 MET A 26 59.169 -2.524 -10.818 1.00 0.00 H new ATOM 0 HE2 MET A 26 57.540 -3.226 -10.672 1.00 0.00 H new ATOM 0 HE3 MET A 26 58.155 -2.135 -9.408 1.00 0.00 H new ATOM 464 N PHE A 27 55.306 -6.727 -6.167 1.00 0.00 N ATOM 465 CA PHE A 27 55.615 -7.915 -5.308 1.00 0.00 C ATOM 466 C PHE A 27 54.438 -8.895 -5.266 1.00 0.00 C ATOM 467 O PHE A 27 54.580 -10.007 -4.792 1.00 0.00 O ATOM 468 CB PHE A 27 55.914 -7.462 -3.876 1.00 0.00 C ATOM 469 CG PHE A 27 57.301 -6.875 -3.813 1.00 0.00 C ATOM 470 CD1 PHE A 27 58.412 -7.669 -4.119 1.00 0.00 C ATOM 471 CD2 PHE A 27 57.476 -5.535 -3.449 1.00 0.00 C ATOM 472 CE1 PHE A 27 59.699 -7.123 -4.061 1.00 0.00 C ATOM 473 CE2 PHE A 27 58.762 -4.989 -3.391 1.00 0.00 C ATOM 474 CZ PHE A 27 59.874 -5.782 -3.696 1.00 0.00 C ATOM 0 H PHE A 27 54.855 -5.950 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 27 56.482 -8.415 -5.741 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.180 -6.722 -3.557 1.00 0.00 H new ATOM 0 HB3 PHE A 27 55.834 -8.307 -3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 27 58.276 -8.703 -4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 27 56.618 -4.923 -3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 27 60.557 -7.735 -4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 27 58.897 -3.955 -3.111 1.00 0.00 H new ATOM 0 HZ PHE A 27 60.867 -5.360 -3.650 1.00 0.00 H new ATOM 484 N LEU A 28 53.277 -8.496 -5.723 1.00 0.00 N ATOM 485 CA LEU A 28 52.102 -9.413 -5.666 1.00 0.00 C ATOM 486 C LEU A 28 51.999 -10.239 -6.947 1.00 0.00 C ATOM 487 O LEU A 28 50.974 -10.282 -7.601 1.00 0.00 O ATOM 488 CB LEU A 28 50.836 -8.592 -5.441 1.00 0.00 C ATOM 489 CG LEU A 28 50.899 -7.987 -4.037 1.00 0.00 C ATOM 490 CD1 LEU A 28 49.793 -6.947 -3.867 1.00 0.00 C ATOM 491 CD2 LEU A 28 50.725 -9.096 -2.996 1.00 0.00 C ATOM 0 H LEU A 28 53.094 -7.579 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 28 52.227 -10.109 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 28 50.756 -7.805 -6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 28 49.952 -9.221 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 28 51.866 -7.504 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 28 49.845 -6.521 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 28 49.922 -6.155 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 28 48.822 -7.422 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 28 50.770 -8.666 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 28 49.760 -9.582 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 28 51.522 -9.831 -3.111 1.00 0.00 H new ATOM 503 N LYS A 29 53.056 -10.923 -7.279 1.00 0.00 N ATOM 504 CA LYS A 29 53.067 -11.798 -8.481 1.00 0.00 C ATOM 505 C LYS A 29 53.438 -13.196 -7.993 1.00 0.00 C ATOM 506 O LYS A 29 52.687 -14.144 -8.118 1.00 0.00 O ATOM 507 CB LYS A 29 54.123 -11.278 -9.476 1.00 0.00 C ATOM 508 CG LYS A 29 54.337 -12.279 -10.628 1.00 0.00 C ATOM 509 CD LYS A 29 53.858 -11.667 -11.948 1.00 0.00 C ATOM 510 CE LYS A 29 53.376 -12.780 -12.879 1.00 0.00 C ATOM 511 NZ LYS A 29 51.941 -13.071 -12.602 1.00 0.00 N ATOM 0 H LYS A 29 53.932 -10.912 -6.756 1.00 0.00 H new ATOM 0 HA LYS A 29 52.102 -11.809 -8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 29 53.805 -10.316 -9.879 1.00 0.00 H new ATOM 0 HB3 LYS A 29 55.066 -11.110 -8.956 1.00 0.00 H new ATOM 0 HG2 LYS A 29 55.392 -12.542 -10.701 1.00 0.00 H new ATOM 0 HG3 LYS A 29 53.792 -13.201 -10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 29 53.051 -10.959 -11.761 1.00 0.00 H new ATOM 0 HD3 LYS A 29 54.668 -11.110 -12.418 1.00 0.00 H new ATOM 0 HE2 LYS A 29 53.503 -12.480 -13.919 1.00 0.00 H new ATOM 0 HE3 LYS A 29 53.976 -13.678 -12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 51.612 -13.828 -13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 51.833 -13.375 -11.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 51.375 -12.214 -12.765 1.00 0.00 H new ATOM 525 N CYS A 30 54.595 -13.300 -7.412 1.00 0.00 N ATOM 526 CA CYS A 30 55.074 -14.581 -6.867 1.00 0.00 C ATOM 527 C CYS A 30 55.811 -14.268 -5.556 1.00 0.00 C ATOM 528 O CYS A 30 56.193 -13.135 -5.338 1.00 0.00 O ATOM 529 CB CYS A 30 56.031 -15.235 -7.868 1.00 0.00 C ATOM 530 SG CYS A 30 55.125 -15.654 -9.379 1.00 0.00 S ATOM 0 H CYS A 30 55.244 -12.522 -7.292 1.00 0.00 H new ATOM 0 HA CYS A 30 54.247 -15.268 -6.686 1.00 0.00 H new ATOM 0 HB2 CYS A 30 56.852 -14.557 -8.099 1.00 0.00 H new ATOM 0 HB3 CYS A 30 56.471 -16.133 -7.434 1.00 0.00 H new ATOM 0 HG CYS A 30 53.869 -15.352 -9.230 1.00 0.00 H new ATOM 536 N PRO A 31 56.008 -15.261 -4.722 1.00 0.00 N ATOM 537 CA PRO A 31 56.713 -15.073 -3.448 1.00 0.00 C ATOM 538 C PRO A 31 58.230 -15.124 -3.680 1.00 0.00 C ATOM 539 O PRO A 31 59.006 -15.060 -2.746 1.00 0.00 O ATOM 540 CB PRO A 31 56.272 -16.277 -2.614 1.00 0.00 C ATOM 541 CG PRO A 31 55.836 -17.364 -3.624 1.00 0.00 C ATOM 542 CD PRO A 31 55.563 -16.644 -4.957 1.00 0.00 C ATOM 0 HA PRO A 31 56.492 -14.118 -2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 31 57.087 -16.635 -1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 31 55.450 -16.010 -1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 31 56.615 -18.117 -3.743 1.00 0.00 H new ATOM 0 HG3 PRO A 31 54.943 -17.882 -3.274 1.00 0.00 H new ATOM 0 HD2 PRO A 31 56.113 -17.105 -5.778 1.00 0.00 H new ATOM 0 HD3 PRO A 31 54.506 -16.682 -5.220 1.00 0.00 H new ATOM 550 N LYS A 32 58.658 -15.268 -4.918 1.00 0.00 N ATOM 551 CA LYS A 32 60.109 -15.358 -5.203 1.00 0.00 C ATOM 552 C LYS A 32 60.566 -14.181 -6.095 1.00 0.00 C ATOM 553 O LYS A 32 60.809 -14.372 -7.272 1.00 0.00 O ATOM 554 CB LYS A 32 60.394 -16.685 -5.924 1.00 0.00 C ATOM 555 CG LYS A 32 59.394 -16.888 -7.075 1.00 0.00 C ATOM 556 CD LYS A 32 59.794 -18.124 -7.887 1.00 0.00 C ATOM 557 CE LYS A 32 58.955 -18.205 -9.169 1.00 0.00 C ATOM 558 NZ LYS A 32 58.213 -19.496 -9.195 1.00 0.00 N ATOM 0 H LYS A 32 58.053 -15.326 -5.737 1.00 0.00 H new ATOM 0 HA LYS A 32 60.658 -15.312 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 32 61.412 -16.685 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 32 60.322 -17.513 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 32 58.386 -17.011 -6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 32 59.378 -16.007 -7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 32 60.854 -18.077 -8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 32 59.648 -19.024 -7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 32 58.256 -17.370 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 32 59.600 -18.126 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 57.644 -19.552 -10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 58.889 -20.286 -9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 57.587 -19.553 -8.367 1.00 0.00 H new ATOM 572 N PRO A 33 60.698 -12.993 -5.530 1.00 0.00 N ATOM 573 CA PRO A 33 61.150 -11.828 -6.307 1.00 0.00 C ATOM 574 C PRO A 33 62.660 -11.924 -6.530 1.00 0.00 C ATOM 575 O PRO A 33 63.352 -12.630 -5.820 1.00 0.00 O ATOM 576 CB PRO A 33 60.785 -10.630 -5.429 1.00 0.00 C ATOM 577 CG PRO A 33 60.664 -11.169 -3.986 1.00 0.00 C ATOM 578 CD PRO A 33 60.427 -12.691 -4.102 1.00 0.00 C ATOM 0 HA PRO A 33 60.694 -11.754 -7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 33 61.549 -9.855 -5.492 1.00 0.00 H new ATOM 0 HB3 PRO A 33 59.847 -10.180 -5.756 1.00 0.00 H new ATOM 0 HG2 PRO A 33 61.570 -10.960 -3.417 1.00 0.00 H new ATOM 0 HG3 PRO A 33 59.839 -10.687 -3.460 1.00 0.00 H new ATOM 0 HD2 PRO A 33 61.093 -13.249 -3.443 1.00 0.00 H new ATOM 0 HD3 PRO A 33 59.407 -12.958 -3.825 1.00 0.00 H new ATOM 586 N SER A 34 63.172 -11.238 -7.516 1.00 0.00 N ATOM 587 CA SER A 34 64.630 -11.305 -7.798 1.00 0.00 C ATOM 588 C SER A 34 65.365 -10.229 -7.017 1.00 0.00 C ATOM 589 O SER A 34 64.922 -9.101 -6.939 1.00 0.00 O ATOM 590 CB SER A 34 64.864 -11.089 -9.294 1.00 0.00 C ATOM 591 OG SER A 34 64.372 -12.211 -10.014 1.00 0.00 O ATOM 0 H SER A 34 62.639 -10.632 -8.140 1.00 0.00 H new ATOM 0 HA SER A 34 65.006 -12.283 -7.498 1.00 0.00 H new ATOM 0 HB2 SER A 34 64.360 -10.181 -9.625 1.00 0.00 H new ATOM 0 HB3 SER A 34 65.927 -10.954 -9.491 1.00 0.00 H new ATOM 0 HG SER A 34 64.519 -12.074 -10.973 1.00 0.00 H new ATOM 597 N LEU A 35 66.515 -10.557 -6.474 1.00 0.00 N ATOM 598 CA LEU A 35 67.316 -9.529 -5.747 1.00 0.00 C ATOM 599 C LEU A 35 67.695 -8.445 -6.758 1.00 0.00 C ATOM 600 O LEU A 35 67.843 -7.285 -6.423 1.00 0.00 O ATOM 601 CB LEU A 35 68.579 -10.169 -5.164 1.00 0.00 C ATOM 602 CG LEU A 35 68.191 -11.083 -3.989 1.00 0.00 C ATOM 603 CD1 LEU A 35 68.745 -12.493 -4.220 1.00 0.00 C ATOM 604 CD2 LEU A 35 68.764 -10.520 -2.682 1.00 0.00 C ATOM 0 H LEU A 35 66.929 -11.489 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 35 66.742 -9.102 -4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 35 69.096 -10.744 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 35 69.269 -9.396 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 35 67.104 -11.128 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 35 68.467 -13.135 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 35 68.332 -12.900 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.831 -12.449 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 35 68.486 -11.171 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.850 -10.467 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 35 68.363 -9.521 -2.509 1.00 0.00 H new ATOM 616 N GLN A 36 67.790 -8.822 -8.016 1.00 0.00 N ATOM 617 CA GLN A 36 68.089 -7.824 -9.078 1.00 0.00 C ATOM 618 C GLN A 36 66.862 -6.925 -9.187 1.00 0.00 C ATOM 619 O GLN A 36 66.961 -5.723 -9.343 1.00 0.00 O ATOM 620 CB GLN A 36 68.324 -8.535 -10.414 1.00 0.00 C ATOM 621 CG GLN A 36 69.689 -9.226 -10.400 1.00 0.00 C ATOM 622 CD GLN A 36 69.615 -10.526 -11.205 1.00 0.00 C ATOM 623 OE1 GLN A 36 70.185 -11.526 -10.818 1.00 0.00 O ATOM 624 NE2 GLN A 36 68.933 -10.554 -12.318 1.00 0.00 N ATOM 0 H GLN A 36 67.672 -9.780 -8.345 1.00 0.00 H new ATOM 0 HA GLN A 36 68.984 -7.251 -8.836 1.00 0.00 H new ATOM 0 HB2 GLN A 36 67.537 -9.268 -10.590 1.00 0.00 H new ATOM 0 HB3 GLN A 36 68.278 -7.816 -11.232 1.00 0.00 H new ATOM 0 HG2 GLN A 36 70.446 -8.566 -10.824 1.00 0.00 H new ATOM 0 HG3 GLN A 36 69.990 -9.438 -9.374 1.00 0.00 H new ATOM 0 HE21 GLN A 36 68.454 -9.715 -12.644 1.00 0.00 H new ATOM 0 HE22 GLN A 36 68.879 -11.415 -12.862 1.00 0.00 H new ATOM 633 N GLN A 37 65.700 -7.518 -9.070 1.00 0.00 N ATOM 634 CA GLN A 37 64.442 -6.735 -9.124 1.00 0.00 C ATOM 635 C GLN A 37 64.347 -5.860 -7.867 1.00 0.00 C ATOM 636 O GLN A 37 63.658 -4.861 -7.865 1.00 0.00 O ATOM 637 CB GLN A 37 63.243 -7.686 -9.187 1.00 0.00 C ATOM 638 CG GLN A 37 61.975 -6.895 -9.532 1.00 0.00 C ATOM 639 CD GLN A 37 61.093 -7.719 -10.472 1.00 0.00 C ATOM 640 OE1 GLN A 37 60.521 -7.192 -11.406 1.00 0.00 O ATOM 641 NE2 GLN A 37 60.956 -9.001 -10.265 1.00 0.00 N ATOM 0 H GLN A 37 65.575 -8.522 -8.938 1.00 0.00 H new ATOM 0 HA GLN A 37 64.438 -6.104 -10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 37 63.417 -8.458 -9.937 1.00 0.00 H new ATOM 0 HB3 GLN A 37 63.118 -8.193 -8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 37 61.426 -6.653 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 37 62.242 -5.949 -10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 37 61.435 -9.445 -9.482 1.00 0.00 H new ATOM 0 HE22 GLN A 37 60.370 -9.558 -10.887 1.00 0.00 H new ATOM 650 N ILE A 38 65.053 -6.210 -6.804 1.00 0.00 N ATOM 651 CA ILE A 38 65.011 -5.360 -5.576 1.00 0.00 C ATOM 652 C ILE A 38 65.882 -4.130 -5.839 1.00 0.00 C ATOM 653 O ILE A 38 65.601 -3.052 -5.360 1.00 0.00 O ATOM 654 CB ILE A 38 65.502 -6.151 -4.338 1.00 0.00 C ATOM 655 CG1 ILE A 38 64.414 -7.158 -3.925 1.00 0.00 C ATOM 656 CG2 ILE A 38 65.776 -5.200 -3.151 1.00 0.00 C ATOM 657 CD1 ILE A 38 63.104 -6.420 -3.599 1.00 0.00 C ATOM 0 H ILE A 38 65.646 -7.038 -6.742 1.00 0.00 H new ATOM 0 HA ILE A 38 63.988 -5.052 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 38 66.427 -6.666 -4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 38 64.246 -7.874 -4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 38 64.745 -7.727 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 38 66.120 -5.778 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 38 66.543 -4.478 -3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 38 64.859 -4.672 -2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 38 62.342 -7.143 -3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 38 63.274 -5.722 -2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 38 62.767 -5.871 -4.478 1.00 0.00 H new ATOM 669 N THR A 39 66.917 -4.286 -6.623 1.00 0.00 N ATOM 670 CA THR A 39 67.787 -3.121 -6.958 1.00 0.00 C ATOM 671 C THR A 39 66.964 -2.169 -7.828 1.00 0.00 C ATOM 672 O THR A 39 67.000 -0.963 -7.665 1.00 0.00 O ATOM 673 CB THR A 39 69.022 -3.598 -7.729 1.00 0.00 C ATOM 674 OG1 THR A 39 69.478 -4.825 -7.176 1.00 0.00 O ATOM 675 CG2 THR A 39 70.130 -2.548 -7.625 1.00 0.00 C ATOM 0 H THR A 39 67.197 -5.171 -7.046 1.00 0.00 H new ATOM 0 HA THR A 39 68.124 -2.618 -6.051 1.00 0.00 H new ATOM 0 HB THR A 39 68.761 -3.744 -8.777 1.00 0.00 H new ATOM 0 HG1 THR A 39 70.267 -5.133 -7.669 1.00 0.00 H new ATOM 0 HG21 THR A 39 71.008 -2.889 -8.174 1.00 0.00 H new ATOM 0 HG22 THR A 39 69.780 -1.607 -8.049 1.00 0.00 H new ATOM 0 HG23 THR A 39 70.393 -2.399 -6.578 1.00 0.00 H new ATOM 683 N HIS A 40 66.189 -2.721 -8.728 1.00 0.00 N ATOM 684 CA HIS A 40 65.312 -1.883 -9.599 1.00 0.00 C ATOM 685 C HIS A 40 64.133 -1.371 -8.770 1.00 0.00 C ATOM 686 O HIS A 40 63.531 -0.370 -9.098 1.00 0.00 O ATOM 687 CB HIS A 40 64.795 -2.723 -10.768 1.00 0.00 C ATOM 688 CG HIS A 40 65.920 -2.975 -11.734 1.00 0.00 C ATOM 689 ND1 HIS A 40 66.649 -1.942 -12.303 1.00 0.00 N ATOM 690 CD2 HIS A 40 66.456 -4.134 -12.239 1.00 0.00 C ATOM 691 CE1 HIS A 40 67.575 -2.494 -13.108 1.00 0.00 C ATOM 692 NE2 HIS A 40 67.500 -3.829 -13.106 1.00 0.00 N ATOM 0 H HIS A 40 66.127 -3.725 -8.897 1.00 0.00 H new ATOM 0 HA HIS A 40 65.879 -1.039 -9.992 1.00 0.00 H new ATOM 0 HB2 HIS A 40 64.395 -3.669 -10.402 1.00 0.00 H new ATOM 0 HB3 HIS A 40 63.978 -2.205 -11.270 1.00 0.00 H new ATOM 0 HD2 HIS A 40 66.118 -5.131 -11.999 1.00 0.00 H new ATOM 0 HE1 HIS A 40 68.291 -1.928 -13.685 1.00 0.00 H new ATOM 0 HE2 HIS A 40 68.083 -4.483 -13.628 1.00 0.00 H new ATOM 700 N ILE A 41 63.824 -2.036 -7.681 1.00 0.00 N ATOM 701 CA ILE A 41 62.717 -1.584 -6.797 1.00 0.00 C ATOM 702 C ILE A 41 63.178 -0.272 -6.156 1.00 0.00 C ATOM 703 O ILE A 41 62.441 0.678 -6.055 1.00 0.00 O ATOM 704 CB ILE A 41 62.461 -2.706 -5.745 1.00 0.00 C ATOM 705 CG1 ILE A 41 61.056 -3.309 -5.943 1.00 0.00 C ATOM 706 CG2 ILE A 41 62.592 -2.215 -4.293 1.00 0.00 C ATOM 707 CD1 ILE A 41 61.176 -4.731 -6.500 1.00 0.00 C ATOM 0 H ILE A 41 64.301 -2.882 -7.369 1.00 0.00 H new ATOM 0 HA ILE A 41 61.781 -1.407 -7.327 1.00 0.00 H new ATOM 0 HB ILE A 41 63.231 -3.460 -5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 41 60.520 -3.324 -4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 41 60.477 -2.688 -6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 41 62.402 -3.043 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 41 63.599 -1.832 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 41 61.868 -1.421 -4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 41 60.180 -5.153 -6.638 1.00 0.00 H new ATOM 0 HD12 ILE A 41 61.695 -4.704 -7.458 1.00 0.00 H new ATOM 0 HD13 ILE A 41 61.738 -5.350 -5.800 1.00 0.00 H new ATOM 719 N ALA A 42 64.415 -0.239 -5.740 1.00 0.00 N ATOM 720 CA ALA A 42 64.983 0.981 -5.101 1.00 0.00 C ATOM 721 C ALA A 42 64.942 2.128 -6.094 1.00 0.00 C ATOM 722 O ALA A 42 64.390 3.174 -5.816 1.00 0.00 O ATOM 723 CB ALA A 42 66.423 0.703 -4.675 1.00 0.00 C ATOM 0 H ALA A 42 65.066 -1.020 -5.818 1.00 0.00 H new ATOM 0 HA ALA A 42 64.398 1.249 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 42 66.842 1.594 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 42 66.439 -0.123 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 42 67.017 0.439 -5.550 1.00 0.00 H new ATOM 729 N ASN A 43 65.477 1.925 -7.269 1.00 0.00 N ATOM 730 CA ASN A 43 65.413 2.991 -8.308 1.00 0.00 C ATOM 731 C ASN A 43 63.931 3.249 -8.641 1.00 0.00 C ATOM 732 O ASN A 43 63.569 4.285 -9.165 1.00 0.00 O ATOM 733 CB ASN A 43 66.150 2.530 -9.567 1.00 0.00 C ATOM 734 CG ASN A 43 66.530 3.749 -10.410 1.00 0.00 C ATOM 735 OD1 ASN A 43 65.865 4.064 -11.377 1.00 0.00 O ATOM 736 ND2 ASN A 43 67.579 4.452 -10.082 1.00 0.00 N ATOM 0 H ASN A 43 65.954 1.069 -7.552 1.00 0.00 H new ATOM 0 HA ASN A 43 65.883 3.903 -7.941 1.00 0.00 H new ATOM 0 HB2 ASN A 43 67.044 1.970 -9.293 1.00 0.00 H new ATOM 0 HB3 ASN A 43 65.518 1.857 -10.146 1.00 0.00 H new ATOM 0 HD21 ASN A 43 67.841 5.266 -10.637 1.00 0.00 H new ATOM 0 HD22 ASN A 43 68.137 4.187 -9.270 1.00 0.00 H new ATOM 743 N GLN A 44 63.077 2.300 -8.325 1.00 0.00 N ATOM 744 CA GLN A 44 61.626 2.447 -8.593 1.00 0.00 C ATOM 745 C GLN A 44 61.037 3.516 -7.664 1.00 0.00 C ATOM 746 O GLN A 44 60.171 4.274 -8.060 1.00 0.00 O ATOM 747 CB GLN A 44 60.953 1.089 -8.347 1.00 0.00 C ATOM 748 CG GLN A 44 60.222 0.610 -9.605 1.00 0.00 C ATOM 749 CD GLN A 44 59.084 1.576 -9.938 1.00 0.00 C ATOM 750 OE1 GLN A 44 59.284 2.554 -10.631 1.00 0.00 O ATOM 751 NE2 GLN A 44 57.887 1.341 -9.470 1.00 0.00 N ATOM 0 H GLN A 44 63.339 1.418 -7.885 1.00 0.00 H new ATOM 0 HA GLN A 44 61.456 2.759 -9.623 1.00 0.00 H new ATOM 0 HB2 GLN A 44 61.703 0.354 -8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 44 60.248 1.172 -7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 44 60.918 0.551 -10.442 1.00 0.00 H new ATOM 0 HG3 GLN A 44 59.826 -0.393 -9.448 1.00 0.00 H new ATOM 0 HE21 GLN A 44 57.719 0.520 -8.888 1.00 0.00 H new ATOM 0 HE22 GLN A 44 57.121 1.978 -9.686 1.00 0.00 H new ATOM 760 N LEU A 45 61.500 3.588 -6.435 1.00 0.00 N ATOM 761 CA LEU A 45 60.955 4.622 -5.494 1.00 0.00 C ATOM 762 C LEU A 45 62.088 5.468 -4.873 1.00 0.00 C ATOM 763 O LEU A 45 61.917 6.091 -3.843 1.00 0.00 O ATOM 764 CB LEU A 45 60.086 3.941 -4.413 1.00 0.00 C ATOM 765 CG LEU A 45 60.930 3.231 -3.350 1.00 0.00 C ATOM 766 CD1 LEU A 45 60.056 2.919 -2.122 1.00 0.00 C ATOM 767 CD2 LEU A 45 61.470 1.931 -3.935 1.00 0.00 C ATOM 0 H LEU A 45 62.223 2.983 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 45 60.323 5.310 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 45 59.455 4.689 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 45 59.420 3.219 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 45 61.758 3.872 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 45 60.657 2.414 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 45 59.662 3.848 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 45 59.229 2.274 -2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 45 62.073 1.418 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 45 60.638 1.292 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 45 62.086 2.152 -4.807 1.00 0.00 H new ATOM 779 N GLY A 46 63.224 5.524 -5.521 1.00 0.00 N ATOM 780 CA GLY A 46 64.369 6.358 -5.023 1.00 0.00 C ATOM 781 C GLY A 46 64.664 6.144 -3.526 1.00 0.00 C ATOM 782 O GLY A 46 65.170 7.036 -2.870 1.00 0.00 O ATOM 0 H GLY A 46 63.413 5.021 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 46 65.262 6.121 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 46 64.147 7.411 -5.197 1.00 0.00 H new ATOM 786 N LEU A 47 64.379 4.985 -2.982 1.00 0.00 N ATOM 787 CA LEU A 47 64.684 4.755 -1.525 1.00 0.00 C ATOM 788 C LEU A 47 65.943 3.878 -1.386 1.00 0.00 C ATOM 789 O LEU A 47 66.528 3.452 -2.363 1.00 0.00 O ATOM 790 CB LEU A 47 63.454 4.129 -0.791 1.00 0.00 C ATOM 791 CG LEU A 47 63.529 2.594 -0.652 1.00 0.00 C ATOM 792 CD1 LEU A 47 62.208 2.056 -0.074 1.00 0.00 C ATOM 793 CD2 LEU A 47 63.785 1.949 -2.011 1.00 0.00 C ATOM 0 H LEU A 47 63.955 4.197 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 47 64.886 5.714 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 47 63.371 4.571 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 47 62.546 4.392 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 47 64.350 2.347 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 47 62.267 0.972 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 47 62.033 2.498 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 47 61.386 2.317 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 47 63.835 0.866 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 47 62.974 2.204 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 47 64.729 2.315 -2.416 1.00 0.00 H new ATOM 805 N GLU A 48 66.343 3.604 -0.172 1.00 0.00 N ATOM 806 CA GLU A 48 67.550 2.745 0.058 1.00 0.00 C ATOM 807 C GLU A 48 67.115 1.282 0.173 1.00 0.00 C ATOM 808 O GLU A 48 65.967 0.954 -0.032 1.00 0.00 O ATOM 809 CB GLU A 48 68.281 3.166 1.348 1.00 0.00 C ATOM 810 CG GLU A 48 67.284 3.451 2.479 1.00 0.00 C ATOM 811 CD GLU A 48 67.976 3.280 3.836 1.00 0.00 C ATOM 812 OE1 GLU A 48 68.906 2.493 3.914 1.00 0.00 O ATOM 813 OE2 GLU A 48 67.561 3.938 4.776 1.00 0.00 O ATOM 0 H GLU A 48 65.886 3.938 0.676 1.00 0.00 H new ATOM 0 HA GLU A 48 68.232 2.867 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.968 2.377 1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 48 68.882 4.055 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 48 66.893 4.464 2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 48 66.434 2.773 2.406 1.00 0.00 H new ATOM 820 N LYS A 49 68.021 0.401 0.503 1.00 0.00 N ATOM 821 CA LYS A 49 67.650 -1.038 0.639 1.00 0.00 C ATOM 822 C LYS A 49 67.179 -1.321 2.074 1.00 0.00 C ATOM 823 O LYS A 49 66.605 -2.360 2.347 1.00 0.00 O ATOM 824 CB LYS A 49 68.865 -1.910 0.320 1.00 0.00 C ATOM 825 CG LYS A 49 69.148 -1.864 -1.184 1.00 0.00 C ATOM 826 CD LYS A 49 70.653 -2.011 -1.424 1.00 0.00 C ATOM 827 CE LYS A 49 70.897 -2.669 -2.785 1.00 0.00 C ATOM 828 NZ LYS A 49 71.172 -1.617 -3.804 1.00 0.00 N ATOM 0 H LYS A 49 69.002 0.615 0.684 1.00 0.00 H new ATOM 0 HA LYS A 49 66.843 -1.268 -0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 49 69.734 -1.557 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 49 68.681 -2.937 0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 49 68.608 -2.664 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 49 68.792 -0.923 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 49 71.133 -1.033 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 49 71.100 -2.613 -0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 49 71.739 -3.358 -2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 49 70.026 -3.256 -3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 71.437 -2.066 -4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 70.319 -1.038 -3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 71.951 -1.012 -3.476 1.00 0.00 H new ATOM 842 N ASP A 50 67.418 -0.413 2.996 1.00 0.00 N ATOM 843 CA ASP A 50 66.989 -0.641 4.406 1.00 0.00 C ATOM 844 C ASP A 50 65.497 -0.341 4.558 1.00 0.00 C ATOM 845 O ASP A 50 64.783 -1.085 5.207 1.00 0.00 O ATOM 846 CB ASP A 50 67.794 0.262 5.343 1.00 0.00 C ATOM 847 CG ASP A 50 68.013 -0.452 6.678 1.00 0.00 C ATOM 848 OD1 ASP A 50 68.225 -1.653 6.656 1.00 0.00 O ATOM 849 OD2 ASP A 50 67.967 0.215 7.698 1.00 0.00 O ATOM 0 H ASP A 50 67.892 0.474 2.827 1.00 0.00 H new ATOM 0 HA ASP A 50 67.169 -1.684 4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 50 68.754 0.510 4.890 1.00 0.00 H new ATOM 0 HB3 ASP A 50 67.265 1.201 5.504 1.00 0.00 H new ATOM 854 N VAL A 51 65.007 0.724 3.962 1.00 0.00 N ATOM 855 CA VAL A 51 63.554 1.026 4.080 1.00 0.00 C ATOM 856 C VAL A 51 62.785 0.149 3.083 1.00 0.00 C ATOM 857 O VAL A 51 61.608 -0.109 3.251 1.00 0.00 O ATOM 858 CB VAL A 51 63.305 2.518 3.803 1.00 0.00 C ATOM 859 CG1 VAL A 51 63.708 2.871 2.366 1.00 0.00 C ATOM 860 CG2 VAL A 51 61.820 2.828 4.020 1.00 0.00 C ATOM 0 H VAL A 51 65.549 1.386 3.407 1.00 0.00 H new ATOM 0 HA VAL A 51 63.206 0.808 5.090 1.00 0.00 H new ATOM 0 HB VAL A 51 63.909 3.115 4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 51 63.525 3.931 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 51 64.767 2.656 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 51 63.119 2.278 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 51 61.637 3.885 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 51 61.219 2.224 3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 51 61.547 2.596 5.049 1.00 0.00 H new ATOM 870 N VAL A 52 63.450 -0.317 2.047 1.00 0.00 N ATOM 871 CA VAL A 52 62.769 -1.181 1.045 1.00 0.00 C ATOM 872 C VAL A 52 62.604 -2.597 1.623 1.00 0.00 C ATOM 873 O VAL A 52 61.651 -3.291 1.324 1.00 0.00 O ATOM 874 CB VAL A 52 63.596 -1.183 -0.270 1.00 0.00 C ATOM 875 CG1 VAL A 52 64.605 -2.345 -0.336 1.00 0.00 C ATOM 876 CG2 VAL A 52 62.640 -1.272 -1.455 1.00 0.00 C ATOM 0 H VAL A 52 64.435 -0.132 1.859 1.00 0.00 H new ATOM 0 HA VAL A 52 61.775 -0.797 0.817 1.00 0.00 H new ATOM 0 HB VAL A 52 64.171 -0.258 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 52 65.155 -2.297 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 52 65.304 -2.268 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 52 64.072 -3.294 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 52 63.211 -1.274 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 52 62.058 -2.191 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 52 61.967 -0.415 -1.445 1.00 0.00 H new ATOM 886 N ARG A 53 63.537 -3.024 2.439 1.00 0.00 N ATOM 887 CA ARG A 53 63.450 -4.390 3.029 1.00 0.00 C ATOM 888 C ARG A 53 62.469 -4.390 4.206 1.00 0.00 C ATOM 889 O ARG A 53 61.689 -5.309 4.366 1.00 0.00 O ATOM 890 CB ARG A 53 64.836 -4.822 3.506 1.00 0.00 C ATOM 891 CG ARG A 53 64.881 -6.347 3.621 1.00 0.00 C ATOM 892 CD ARG A 53 64.544 -6.760 5.054 1.00 0.00 C ATOM 893 NE ARG A 53 65.801 -6.860 5.846 1.00 0.00 N ATOM 894 CZ ARG A 53 65.750 -7.162 7.113 1.00 0.00 C ATOM 895 NH1 ARG A 53 65.565 -6.223 8.001 1.00 0.00 N ATOM 896 NH2 ARG A 53 65.884 -8.403 7.493 1.00 0.00 N ATOM 0 H ARG A 53 64.354 -2.483 2.720 1.00 0.00 H new ATOM 0 HA ARG A 53 63.091 -5.089 2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 53 65.597 -4.476 2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 53 65.059 -4.367 4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 53 64.172 -6.796 2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 53 65.871 -6.714 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 53 63.873 -6.030 5.507 1.00 0.00 H new ATOM 0 HD3 ARG A 53 64.022 -7.717 5.056 1.00 0.00 H new ATOM 0 HE ARG A 53 66.702 -6.692 5.397 1.00 0.00 H new ATOM 0 HH11 ARG A 53 65.460 -5.253 7.703 1.00 0.00 H new ATOM 0 HH12 ARG A 53 65.525 -6.459 8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.029 -9.136 6.799 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.844 -8.640 8.484 1.00 0.00 H new ATOM 910 N VAL A 54 62.499 -3.368 5.027 1.00 0.00 N ATOM 911 CA VAL A 54 61.561 -3.311 6.191 1.00 0.00 C ATOM 912 C VAL A 54 60.128 -3.188 5.669 1.00 0.00 C ATOM 913 O VAL A 54 59.218 -3.824 6.166 1.00 0.00 O ATOM 914 CB VAL A 54 61.899 -2.098 7.065 1.00 0.00 C ATOM 915 CG1 VAL A 54 61.010 -2.101 8.311 1.00 0.00 C ATOM 916 CG2 VAL A 54 63.368 -2.168 7.491 1.00 0.00 C ATOM 0 H VAL A 54 63.131 -2.572 4.941 1.00 0.00 H new ATOM 0 HA VAL A 54 61.658 -4.218 6.788 1.00 0.00 H new ATOM 0 HB VAL A 54 61.727 -1.184 6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 54 61.251 -1.238 8.932 1.00 0.00 H new ATOM 0 HG12 VAL A 54 59.963 -2.051 8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 54 61.182 -3.016 8.878 1.00 0.00 H new ATOM 0 HG21 VAL A 54 63.608 -1.305 8.112 1.00 0.00 H new ATOM 0 HG22 VAL A 54 63.539 -3.083 8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 54 64.004 -2.166 6.606 1.00 0.00 H new ATOM 926 N TRP A 55 59.931 -2.378 4.662 1.00 0.00 N ATOM 927 CA TRP A 55 58.569 -2.207 4.079 1.00 0.00 C ATOM 928 C TRP A 55 58.131 -3.537 3.465 1.00 0.00 C ATOM 929 O TRP A 55 57.007 -3.962 3.654 1.00 0.00 O ATOM 930 CB TRP A 55 58.625 -1.080 3.024 1.00 0.00 C ATOM 931 CG TRP A 55 57.362 -1.019 2.215 1.00 0.00 C ATOM 932 CD1 TRP A 55 56.334 -0.157 2.423 1.00 0.00 C ATOM 933 CD2 TRP A 55 56.981 -1.839 1.070 1.00 0.00 C ATOM 934 NE1 TRP A 55 55.365 -0.387 1.472 1.00 0.00 N ATOM 935 CE2 TRP A 55 55.709 -1.424 0.623 1.00 0.00 C ATOM 936 CE3 TRP A 55 57.612 -2.892 0.382 1.00 0.00 C ATOM 937 CZ2 TRP A 55 55.083 -2.041 -0.462 1.00 0.00 C ATOM 938 CZ3 TRP A 55 56.988 -3.510 -0.707 1.00 0.00 C ATOM 939 CH2 TRP A 55 55.726 -3.089 -1.126 1.00 0.00 C ATOM 0 H TRP A 55 60.662 -1.824 4.216 1.00 0.00 H new ATOM 0 HA TRP A 55 57.841 -1.927 4.840 1.00 0.00 H new ATOM 0 HB2 TRP A 55 58.786 -0.123 3.521 1.00 0.00 H new ATOM 0 HB3 TRP A 55 59.475 -1.243 2.361 1.00 0.00 H new ATOM 0 HD1 TRP A 55 56.284 0.586 3.205 1.00 0.00 H new ATOM 0 HE1 TRP A 55 54.497 0.144 1.402 1.00 0.00 H new ATOM 0 HE3 TRP A 55 58.589 -3.227 0.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 54.107 -1.710 -0.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 57.485 -4.316 -1.225 1.00 0.00 H new ATOM 0 HH2 TRP A 55 55.246 -3.573 -1.964 1.00 0.00 H new ATOM 950 N PHE A 56 59.004 -4.207 2.753 1.00 0.00 N ATOM 951 CA PHE A 56 58.605 -5.515 2.163 1.00 0.00 C ATOM 952 C PHE A 56 58.748 -6.631 3.204 1.00 0.00 C ATOM 953 O PHE A 56 58.407 -7.769 2.938 1.00 0.00 O ATOM 954 CB PHE A 56 59.448 -5.846 0.928 1.00 0.00 C ATOM 955 CG PHE A 56 58.725 -6.904 0.114 1.00 0.00 C ATOM 956 CD1 PHE A 56 57.378 -6.722 -0.240 1.00 0.00 C ATOM 957 CD2 PHE A 56 59.391 -8.071 -0.275 1.00 0.00 C ATOM 958 CE1 PHE A 56 56.708 -7.698 -0.976 1.00 0.00 C ATOM 959 CE2 PHE A 56 58.715 -9.051 -1.014 1.00 0.00 C ATOM 960 CZ PHE A 56 57.373 -8.860 -1.362 1.00 0.00 C ATOM 0 H PHE A 56 59.960 -3.908 2.559 1.00 0.00 H new ATOM 0 HA PHE A 56 57.562 -5.440 1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 56 59.606 -4.950 0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 56 60.432 -6.207 1.228 1.00 0.00 H new ATOM 0 HD1 PHE A 56 56.860 -5.823 0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 56 60.427 -8.217 -0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 56 55.673 -7.553 -1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 56 59.229 -9.952 -1.315 1.00 0.00 H new ATOM 0 HZ PHE A 56 56.851 -9.615 -1.931 1.00 0.00 H new ATOM 970 N CYS A 57 59.222 -6.323 4.392 1.00 0.00 N ATOM 971 CA CYS A 57 59.346 -7.375 5.435 1.00 0.00 C ATOM 972 C CYS A 57 57.944 -7.701 5.930 1.00 0.00 C ATOM 973 O CYS A 57 57.581 -8.849 6.079 1.00 0.00 O ATOM 974 CB CYS A 57 60.204 -6.867 6.597 1.00 0.00 C ATOM 975 SG CYS A 57 60.569 -8.237 7.722 1.00 0.00 S ATOM 0 H CYS A 57 59.525 -5.391 4.675 1.00 0.00 H new ATOM 0 HA CYS A 57 59.824 -8.264 5.023 1.00 0.00 H new ATOM 0 HB2 CYS A 57 61.131 -6.437 6.218 1.00 0.00 H new ATOM 0 HB3 CYS A 57 59.680 -6.074 7.131 1.00 0.00 H new ATOM 0 HG CYS A 57 61.299 -7.806 8.708 1.00 0.00 H new ATOM 981 N ASN A 58 57.145 -6.689 6.152 1.00 0.00 N ATOM 982 CA ASN A 58 55.746 -6.925 6.602 1.00 0.00 C ATOM 983 C ASN A 58 54.946 -7.436 5.405 1.00 0.00 C ATOM 984 O ASN A 58 54.134 -8.333 5.526 1.00 0.00 O ATOM 985 CB ASN A 58 55.134 -5.616 7.108 1.00 0.00 C ATOM 986 CG ASN A 58 55.364 -5.493 8.616 1.00 0.00 C ATOM 987 OD1 ASN A 58 56.387 -5.001 9.047 1.00 0.00 O ATOM 988 ND2 ASN A 58 54.448 -5.923 9.441 1.00 0.00 N ATOM 0 H ASN A 58 57.404 -5.709 6.040 1.00 0.00 H new ATOM 0 HA ASN A 58 55.728 -7.654 7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 58 55.584 -4.768 6.591 1.00 0.00 H new ATOM 0 HB3 ASN A 58 54.066 -5.593 6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 58 54.592 -5.846 10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 58 53.589 -6.336 9.079 1.00 0.00 H new ATOM 995 N ARG A 59 55.185 -6.874 4.243 1.00 0.00 N ATOM 996 CA ARG A 59 54.451 -7.330 3.017 1.00 0.00 C ATOM 997 C ARG A 59 54.742 -8.816 2.767 1.00 0.00 C ATOM 998 O ARG A 59 53.946 -9.518 2.172 1.00 0.00 O ATOM 999 CB ARG A 59 54.924 -6.507 1.803 1.00 0.00 C ATOM 1000 CG ARG A 59 53.764 -5.725 1.170 1.00 0.00 C ATOM 1001 CD ARG A 59 53.040 -4.861 2.218 1.00 0.00 C ATOM 1002 NE ARG A 59 54.041 -4.126 3.052 1.00 0.00 N ATOM 1003 CZ ARG A 59 53.684 -3.497 4.150 1.00 0.00 C ATOM 1004 NH1 ARG A 59 52.589 -3.819 4.794 1.00 0.00 N ATOM 1005 NH2 ARG A 59 54.437 -2.537 4.612 1.00 0.00 N ATOM 0 H ARG A 59 55.855 -6.121 4.090 1.00 0.00 H new ATOM 0 HA ARG A 59 53.380 -7.189 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 59 55.705 -5.814 2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 59 55.365 -7.172 1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 59 54.144 -5.089 0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 59 53.057 -6.420 0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 59 52.377 -4.152 1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 59 52.417 -5.490 2.853 1.00 0.00 H new ATOM 0 HE ARG A 59 55.019 -4.113 2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 59 51.995 -4.571 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 59 52.331 -3.318 5.644 1.00 0.00 H new ATOM 0 HH21 ARG A 59 55.294 -2.280 4.122 1.00 0.00 H new ATOM 0 HH22 ARG A 59 54.169 -2.043 5.463 1.00 0.00 H new ATOM 1019 N ARG A 60 55.881 -9.293 3.207 1.00 0.00 N ATOM 1020 CA ARG A 60 56.230 -10.726 2.983 1.00 0.00 C ATOM 1021 C ARG A 60 55.549 -11.606 4.038 1.00 0.00 C ATOM 1022 O ARG A 60 54.974 -12.630 3.719 1.00 0.00 O ATOM 1023 CB ARG A 60 57.753 -10.895 3.071 1.00 0.00 C ATOM 1024 CG ARG A 60 58.329 -11.126 1.671 1.00 0.00 C ATOM 1025 CD ARG A 60 59.855 -11.111 1.739 1.00 0.00 C ATOM 1026 NE ARG A 60 60.352 -12.483 2.037 1.00 0.00 N ATOM 1027 CZ ARG A 60 61.538 -12.847 1.635 1.00 0.00 C ATOM 1028 NH1 ARG A 60 62.599 -12.416 2.262 1.00 0.00 N ATOM 1029 NH2 ARG A 60 61.665 -13.639 0.606 1.00 0.00 N ATOM 0 H ARG A 60 56.582 -8.750 3.711 1.00 0.00 H new ATOM 0 HA ARG A 60 55.884 -11.031 1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 60 58.202 -10.008 3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 60 57.998 -11.736 3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 60 57.981 -12.081 1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 60 57.977 -10.352 0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 60 60.268 -10.760 0.793 1.00 0.00 H new ATOM 0 HD3 ARG A 60 60.189 -10.416 2.510 1.00 0.00 H new ATOM 0 HE ARG A 60 59.765 -13.137 2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 60 62.500 -11.795 3.065 1.00 0.00 H new ATOM 0 HH12 ARG A 60 63.527 -12.700 1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 60 60.836 -13.974 0.115 1.00 0.00 H new ATOM 0 HH22 ARG A 60 62.593 -13.923 0.293 1.00 0.00 H new ATOM 1043 N GLN A 61 55.616 -11.221 5.289 1.00 0.00 N ATOM 1044 CA GLN A 61 54.979 -12.043 6.360 1.00 0.00 C ATOM 1045 C GLN A 61 53.641 -11.424 6.767 1.00 0.00 C ATOM 1046 O GLN A 61 53.385 -11.176 7.932 1.00 0.00 O ATOM 1047 CB GLN A 61 55.911 -12.125 7.574 1.00 0.00 C ATOM 1048 CG GLN A 61 56.255 -10.716 8.061 1.00 0.00 C ATOM 1049 CD GLN A 61 56.389 -10.720 9.586 1.00 0.00 C ATOM 1050 OE1 GLN A 61 55.460 -10.377 10.290 1.00 0.00 O ATOM 1051 NE2 GLN A 61 57.514 -11.096 10.128 1.00 0.00 N ATOM 0 H GLN A 61 56.084 -10.374 5.613 1.00 0.00 H new ATOM 0 HA GLN A 61 54.801 -13.049 5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 61 55.432 -12.689 8.374 1.00 0.00 H new ATOM 0 HB3 GLN A 61 56.823 -12.660 7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 61 57.186 -10.379 7.605 1.00 0.00 H new ATOM 0 HG3 GLN A 61 55.478 -10.015 7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 61 58.294 -11.384 9.537 1.00 0.00 H new ATOM 0 HE22 GLN A 61 57.614 -11.102 11.143 1.00 0.00 H new ATOM 1060 N LYS A 62 52.776 -11.198 5.812 1.00 0.00 N ATOM 1061 CA LYS A 62 51.439 -10.623 6.132 1.00 0.00 C ATOM 1062 C LYS A 62 50.544 -11.734 6.696 1.00 0.00 C ATOM 1063 O LYS A 62 49.597 -11.472 7.414 1.00 0.00 O ATOM 1064 CB LYS A 62 50.809 -10.060 4.856 1.00 0.00 C ATOM 1065 CG LYS A 62 51.527 -8.769 4.453 1.00 0.00 C ATOM 1066 CD LYS A 62 50.634 -7.952 3.509 1.00 0.00 C ATOM 1067 CE LYS A 62 50.038 -6.759 4.262 1.00 0.00 C ATOM 1068 NZ LYS A 62 49.100 -7.249 5.311 1.00 0.00 N ATOM 0 H LYS A 62 52.940 -11.388 4.823 1.00 0.00 H new ATOM 0 HA LYS A 62 51.544 -9.824 6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 62 50.877 -10.792 4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 62 49.749 -9.863 5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 62 51.767 -8.183 5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 62 52.471 -9.005 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 62 51.215 -7.602 2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 62 49.836 -8.580 3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 62 50.833 -6.169 4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 62 49.513 -6.103 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 48.570 -6.446 5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 48.435 -7.930 4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 49.639 -7.714 6.069 1.00 0.00 H new ATOM 1082 N GLY A 63 50.845 -12.975 6.384 1.00 0.00 N ATOM 1083 CA GLY A 63 50.027 -14.107 6.906 1.00 0.00 C ATOM 1084 C GLY A 63 50.909 -15.351 7.045 1.00 0.00 C ATOM 1085 O GLY A 63 50.729 -16.330 6.345 1.00 0.00 O ATOM 0 H GLY A 63 51.626 -13.248 5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 63 49.596 -13.844 7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 63 49.196 -14.311 6.231 1.00 0.00 H new ATOM 1089 N LYS A 64 51.862 -15.316 7.943 1.00 0.00 N ATOM 1090 CA LYS A 64 52.766 -16.489 8.134 1.00 0.00 C ATOM 1091 C LYS A 64 52.109 -17.497 9.074 1.00 0.00 C ATOM 1092 O LYS A 64 51.748 -18.588 8.673 1.00 0.00 O ATOM 1093 CB LYS A 64 54.095 -16.016 8.734 1.00 0.00 C ATOM 1094 CG LYS A 64 55.252 -16.789 8.096 1.00 0.00 C ATOM 1095 CD LYS A 64 56.581 -16.238 8.615 1.00 0.00 C ATOM 1096 CE LYS A 64 57.030 -17.047 9.834 1.00 0.00 C ATOM 1097 NZ LYS A 64 58.263 -16.437 10.409 1.00 0.00 N ATOM 0 H LYS A 64 52.052 -14.522 8.554 1.00 0.00 H new ATOM 0 HA LYS A 64 52.951 -16.964 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 64 54.222 -14.947 8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 64 54.093 -16.170 9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 64 55.169 -17.850 8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 64 55.208 -16.700 7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 64 57.338 -16.289 7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 64 56.471 -15.187 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 64 56.238 -17.066 10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 64 57.223 -18.081 9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 58.568 -16.987 11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 59.018 -16.440 9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 58.064 -15.458 10.697 1.00 0.00 H new ATOM 1111 N ARG A 65 51.956 -17.138 10.319 1.00 0.00 N ATOM 1112 CA ARG A 65 51.326 -18.071 11.296 1.00 0.00 C ATOM 1113 C ARG A 65 49.840 -17.726 11.449 1.00 0.00 C ATOM 1114 O ARG A 65 49.260 -17.903 12.504 1.00 0.00 O ATOM 1115 CB ARG A 65 52.034 -17.944 12.655 1.00 0.00 C ATOM 1116 CG ARG A 65 52.838 -19.216 12.946 1.00 0.00 C ATOM 1117 CD ARG A 65 52.946 -19.416 14.461 1.00 0.00 C ATOM 1118 NE ARG A 65 54.052 -20.370 14.760 1.00 0.00 N ATOM 1119 CZ ARG A 65 53.873 -21.321 15.636 1.00 0.00 C ATOM 1120 NH1 ARG A 65 53.297 -21.058 16.777 1.00 0.00 N ATOM 1121 NH2 ARG A 65 54.274 -22.535 15.372 1.00 0.00 N ATOM 0 H ARG A 65 52.241 -16.237 10.703 1.00 0.00 H new ATOM 0 HA ARG A 65 51.421 -19.095 10.936 1.00 0.00 H new ATOM 0 HB2 ARG A 65 52.696 -17.078 12.650 1.00 0.00 H new ATOM 0 HB3 ARG A 65 51.300 -17.779 13.443 1.00 0.00 H new ATOM 0 HG2 ARG A 65 52.353 -20.078 12.488 1.00 0.00 H new ATOM 0 HG3 ARG A 65 53.833 -19.139 12.507 1.00 0.00 H new ATOM 0 HD2 ARG A 65 53.133 -18.461 14.952 1.00 0.00 H new ATOM 0 HD3 ARG A 65 52.005 -19.799 14.856 1.00 0.00 H new ATOM 0 HE ARG A 65 54.948 -20.280 14.280 1.00 0.00 H new ATOM 0 HH11 ARG A 65 52.986 -20.109 16.985 1.00 0.00 H new ATOM 0 HH12 ARG A 65 53.157 -21.802 17.461 1.00 0.00 H new ATOM 0 HH21 ARG A 65 54.727 -22.740 14.481 1.00 0.00 H new ATOM 0 HH22 ARG A 65 54.134 -23.278 16.056 1.00 0.00 H new ATOM 1135 N SER A 66 49.221 -17.238 10.402 1.00 0.00 N ATOM 1136 CA SER A 66 47.774 -16.884 10.475 1.00 0.00 C ATOM 1137 C SER A 66 47.156 -17.006 9.082 1.00 0.00 C ATOM 1138 O SER A 66 47.807 -17.418 8.140 1.00 0.00 O ATOM 1139 CB SER A 66 47.621 -15.448 10.980 1.00 0.00 C ATOM 1140 OG SER A 66 48.606 -15.191 11.972 1.00 0.00 O ATOM 0 H SER A 66 49.660 -17.070 9.497 1.00 0.00 H new ATOM 0 HA SER A 66 47.266 -17.561 11.162 1.00 0.00 H new ATOM 0 HB2 SER A 66 47.729 -14.746 10.153 1.00 0.00 H new ATOM 0 HB3 SER A 66 46.624 -15.300 11.395 1.00 0.00 H new ATOM 0 HG SER A 66 48.511 -14.271 12.296 1.00 0.00 H new ATOM 1146 N SER A 67 45.904 -16.651 8.946 1.00 0.00 N ATOM 1147 CA SER A 67 45.235 -16.745 7.615 1.00 0.00 C ATOM 1148 C SER A 67 44.115 -15.706 7.530 1.00 0.00 C ATOM 1149 O SER A 67 43.343 -15.772 6.588 1.00 0.00 O ATOM 1150 CB SER A 67 44.647 -18.146 7.441 1.00 0.00 C ATOM 1151 OG SER A 67 44.283 -18.338 6.081 1.00 0.00 O ATOM 1152 OXT SER A 67 44.049 -14.862 8.408 1.00 0.00 O ATOM 0 H SER A 67 45.316 -16.299 9.701 1.00 0.00 H new ATOM 0 HA SER A 67 45.964 -16.555 6.827 1.00 0.00 H new ATOM 0 HB2 SER A 67 45.375 -18.898 7.744 1.00 0.00 H new ATOM 0 HB3 SER A 67 43.775 -18.269 8.083 1.00 0.00 H new ATOM 0 HG SER A 67 43.813 -17.543 5.753 1.00 0.00 H new TER 1158 SER A 67