USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 TYR OH : rot 180:sc=-0.00414 USER MOD Set 1.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -169:sc= -0.0439 (180deg=-0.179) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -2.5 X(o=-2.5,f=-2.2!) USER MOD Single : A 23 GLN : amide:sc= -0.0255 X(o=-0.026,f=-0.34) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.146 USER MOD Single : A 49 THR OG1 : rot 76:sc= 1.26 USER MOD Single : A 53 THR OG1 : rot 88:sc= 0.997 USER MOD Single : A 54 THR OG1 : rot 85:sc= 0.45 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.400 1.438 -1.831 1.00 0.00 N ATOM 2 CA GLY A 1 2.299 0.373 -2.237 1.00 0.00 C ATOM 3 C GLY A 1 3.742 0.663 -1.875 1.00 0.00 C ATOM 4 O GLY A 1 4.527 -0.256 -1.638 1.00 0.00 O ATOM 0 H1 GLY A 1 0.415 1.117 -1.929 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.585 1.690 -0.839 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.554 2.271 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.989 -0.559 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.220 0.226 -3.314 1.00 0.00 H new ATOM 8 N SER A 2 4.094 1.944 -1.832 1.00 0.00 N ATOM 9 CA SER A 2 5.455 2.352 -1.501 1.00 0.00 C ATOM 10 C SER A 2 5.593 2.619 -0.005 1.00 0.00 C ATOM 11 O SER A 2 5.160 3.658 0.493 1.00 0.00 O ATOM 12 CB SER A 2 5.841 3.603 -2.292 1.00 0.00 C ATOM 13 OG SER A 2 5.132 3.671 -3.517 1.00 0.00 O ATOM 0 H SER A 2 3.456 2.717 -2.022 1.00 0.00 H new ATOM 0 HA SER A 2 6.128 1.538 -1.771 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.632 4.492 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.913 3.596 -2.489 1.00 0.00 H new ATOM 0 HG SER A 2 5.395 4.480 -4.003 1.00 0.00 H new ATOM 19 N MET A 3 6.200 1.674 0.705 1.00 0.00 N ATOM 20 CA MET A 3 6.397 1.808 2.143 1.00 0.00 C ATOM 21 C MET A 3 7.675 2.584 2.447 1.00 0.00 C ATOM 22 O MET A 3 7.625 3.703 2.957 1.00 0.00 O ATOM 23 CB MET A 3 6.456 0.428 2.802 1.00 0.00 C ATOM 24 CG MET A 3 5.199 0.071 3.578 1.00 0.00 C ATOM 25 SD MET A 3 5.501 -1.160 4.861 1.00 0.00 S ATOM 26 CE MET A 3 3.824 -1.636 5.275 1.00 0.00 C ATOM 0 H MET A 3 6.564 0.808 0.308 1.00 0.00 H new ATOM 0 HA MET A 3 5.551 2.362 2.550 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.625 -0.326 2.033 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.312 0.393 3.476 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.790 0.973 4.034 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.445 -0.307 2.887 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.844 -2.394 6.058 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.275 -0.763 5.629 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.332 -2.040 4.391 1.00 0.00 H new ATOM 36 N GLU A 4 8.817 1.981 2.132 1.00 0.00 N ATOM 37 CA GLU A 4 10.107 2.617 2.373 1.00 0.00 C ATOM 38 C GLU A 4 10.141 4.022 1.778 1.00 0.00 C ATOM 39 O GLU A 4 10.648 4.958 2.398 1.00 0.00 O ATOM 40 CB GLU A 4 11.236 1.773 1.779 1.00 0.00 C ATOM 41 CG GLU A 4 10.943 1.264 0.378 1.00 0.00 C ATOM 42 CD GLU A 4 12.145 0.599 -0.265 1.00 0.00 C ATOM 43 OE1 GLU A 4 13.240 0.645 0.334 1.00 0.00 O ATOM 44 OE2 GLU A 4 11.989 0.031 -1.367 1.00 0.00 O ATOM 0 H GLU A 4 8.875 1.054 1.710 1.00 0.00 H new ATOM 0 HA GLU A 4 10.249 2.694 3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.149 2.367 1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.425 0.922 2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.118 0.553 0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.616 2.096 -0.246 1.00 0.00 H new ATOM 51 N ARG A 5 9.598 4.161 0.573 1.00 0.00 N ATOM 52 CA ARG A 5 9.567 5.451 -0.107 1.00 0.00 C ATOM 53 C ARG A 5 8.713 6.452 0.665 1.00 0.00 C ATOM 54 O ARG A 5 9.112 7.600 0.866 1.00 0.00 O ATOM 55 CB ARG A 5 9.025 5.289 -1.528 1.00 0.00 C ATOM 56 CG ARG A 5 9.871 4.379 -2.403 1.00 0.00 C ATOM 57 CD ARG A 5 10.642 5.170 -3.447 1.00 0.00 C ATOM 58 NE ARG A 5 10.971 4.359 -4.616 1.00 0.00 N ATOM 59 CZ ARG A 5 11.893 3.402 -4.611 1.00 0.00 C ATOM 60 NH1 ARG A 5 12.572 3.138 -3.503 1.00 0.00 N ATOM 61 NH2 ARG A 5 12.135 2.707 -5.714 1.00 0.00 N ATOM 0 H ARG A 5 9.174 3.397 0.047 1.00 0.00 H new ATOM 0 HA ARG A 5 10.587 5.833 -0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.011 4.891 -1.478 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.959 6.271 -1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.569 3.820 -1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.230 3.649 -2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.051 6.031 -3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.560 5.556 -3.004 1.00 0.00 H new ATOM 0 HE ARG A 5 10.465 4.537 -5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.387 3.670 -2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.279 2.403 -3.501 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.613 2.907 -6.567 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.843 1.973 -5.709 1.00 0.00 H new ATOM 75 N LEU A 6 7.536 6.010 1.095 1.00 0.00 N ATOM 76 CA LEU A 6 6.624 6.867 1.845 1.00 0.00 C ATOM 77 C LEU A 6 7.263 7.333 3.149 1.00 0.00 C ATOM 78 O LEU A 6 7.146 8.499 3.527 1.00 0.00 O ATOM 79 CB LEU A 6 5.321 6.123 2.140 1.00 0.00 C ATOM 80 CG LEU A 6 4.400 6.768 3.176 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.955 6.732 2.703 1.00 0.00 C ATOM 82 CD2 LEU A 6 4.540 6.071 4.521 1.00 0.00 C ATOM 0 H LEU A 6 7.191 5.063 0.937 1.00 0.00 H new ATOM 0 HA LEU A 6 6.405 7.744 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.767 6.017 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.569 5.117 2.480 1.00 0.00 H new ATOM 0 HG LEU A 6 4.695 7.810 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.315 7.196 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.866 7.277 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.647 5.697 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.877 6.543 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.272 5.020 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.571 6.150 4.866 1.00 0.00 H new ATOM 94 N ARG A 7 7.941 6.416 3.831 1.00 0.00 N ATOM 95 CA ARG A 7 8.600 6.734 5.092 1.00 0.00 C ATOM 96 C ARG A 7 9.728 7.739 4.878 1.00 0.00 C ATOM 97 O ARG A 7 9.875 8.693 5.641 1.00 0.00 O ATOM 98 CB ARG A 7 9.151 5.461 5.738 1.00 0.00 C ATOM 99 CG ARG A 7 9.741 5.687 7.121 1.00 0.00 C ATOM 100 CD ARG A 7 8.939 4.966 8.193 1.00 0.00 C ATOM 101 NE ARG A 7 9.767 4.589 9.335 1.00 0.00 N ATOM 102 CZ ARG A 7 10.296 5.466 10.181 1.00 0.00 C ATOM 103 NH1 ARG A 7 10.084 6.764 10.014 1.00 0.00 N ATOM 104 NH2 ARG A 7 11.039 5.046 11.197 1.00 0.00 N ATOM 0 H ARG A 7 8.048 5.447 3.532 1.00 0.00 H new ATOM 0 HA ARG A 7 7.861 7.181 5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.351 4.724 5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.918 5.037 5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.773 5.336 7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.763 6.755 7.338 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.126 5.609 8.531 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.483 4.073 7.765 1.00 0.00 H new ATOM 0 HE ARG A 7 9.949 3.598 9.492 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.513 7.091 9.234 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.491 7.435 10.665 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.205 4.048 11.329 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.444 5.721 11.846 1.00 0.00 H new ATOM 118 N ASP A 8 10.522 7.516 3.836 1.00 0.00 N ATOM 119 CA ASP A 8 11.636 8.402 3.521 1.00 0.00 C ATOM 120 C ASP A 8 11.133 9.777 3.093 1.00 0.00 C ATOM 121 O ASP A 8 11.604 10.803 3.585 1.00 0.00 O ATOM 122 CB ASP A 8 12.502 7.795 2.416 1.00 0.00 C ATOM 123 CG ASP A 8 13.153 6.493 2.839 1.00 0.00 C ATOM 124 OD1 ASP A 8 13.315 6.280 4.059 1.00 0.00 O ATOM 125 OD2 ASP A 8 13.499 5.687 1.951 1.00 0.00 O ATOM 0 H ASP A 8 10.415 6.729 3.196 1.00 0.00 H new ATOM 0 HA ASP A 8 12.240 8.520 4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.888 7.620 1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.275 8.509 2.131 1.00 0.00 H new ATOM 130 N VAL A 9 10.175 9.791 2.172 1.00 0.00 N ATOM 131 CA VAL A 9 9.607 11.039 1.678 1.00 0.00 C ATOM 132 C VAL A 9 8.893 11.798 2.791 1.00 0.00 C ATOM 133 O VAL A 9 9.130 12.988 2.996 1.00 0.00 O ATOM 134 CB VAL A 9 8.617 10.788 0.525 1.00 0.00 C ATOM 135 CG1 VAL A 9 7.999 12.097 0.057 1.00 0.00 C ATOM 136 CG2 VAL A 9 9.309 10.074 -0.626 1.00 0.00 C ATOM 0 H VAL A 9 9.776 8.951 1.753 1.00 0.00 H new ATOM 0 HA VAL A 9 10.438 11.640 1.309 1.00 0.00 H new ATOM 0 HB VAL A 9 7.816 10.146 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.302 11.900 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.466 12.564 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.785 12.766 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.594 9.905 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.131 10.688 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.698 9.117 -0.279 1.00 0.00 H new ATOM 146 N ARG A 10 8.018 11.100 3.507 1.00 0.00 N ATOM 147 CA ARG A 10 7.268 11.708 4.600 1.00 0.00 C ATOM 148 C ARG A 10 8.211 12.306 5.640 1.00 0.00 C ATOM 149 O ARG A 10 8.076 13.469 6.018 1.00 0.00 O ATOM 150 CB ARG A 10 6.356 10.672 5.259 1.00 0.00 C ATOM 151 CG ARG A 10 5.543 11.225 6.418 1.00 0.00 C ATOM 152 CD ARG A 10 5.846 10.488 7.713 1.00 0.00 C ATOM 153 NE ARG A 10 5.101 11.038 8.843 1.00 0.00 N ATOM 154 CZ ARG A 10 4.919 10.391 9.988 1.00 0.00 C ATOM 155 NH1 ARG A 10 5.426 9.177 10.156 1.00 0.00 N ATOM 156 NH2 ARG A 10 4.230 10.958 10.970 1.00 0.00 N ATOM 0 H ARG A 10 7.811 10.114 3.350 1.00 0.00 H new ATOM 0 HA ARG A 10 6.656 12.510 4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.676 10.270 4.508 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.964 9.841 5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.760 12.286 6.543 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.480 11.142 6.191 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.600 9.433 7.596 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.914 10.545 7.921 1.00 0.00 H new ATOM 0 HE ARG A 10 4.699 11.970 8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.958 8.738 9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.284 8.683 11.037 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.839 11.892 10.846 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.091 10.460 11.849 1.00 0.00 H new ATOM 170 N GLU A 11 9.166 11.502 6.098 1.00 0.00 N ATOM 171 CA GLU A 11 10.130 11.952 7.095 1.00 0.00 C ATOM 172 C GLU A 11 10.997 13.080 6.543 1.00 0.00 C ATOM 173 O GLU A 11 11.308 14.040 7.249 1.00 0.00 O ATOM 174 CB GLU A 11 11.015 10.787 7.544 1.00 0.00 C ATOM 175 CG GLU A 11 11.843 11.093 8.780 1.00 0.00 C ATOM 176 CD GLU A 11 12.489 9.855 9.371 1.00 0.00 C ATOM 177 OE1 GLU A 11 12.604 8.844 8.646 1.00 0.00 O ATOM 178 OE2 GLU A 11 12.878 9.896 10.556 1.00 0.00 O ATOM 0 H GLU A 11 9.292 10.536 5.794 1.00 0.00 H new ATOM 0 HA GLU A 11 9.576 12.330 7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.386 9.920 7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.684 10.514 6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.618 11.815 8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.207 11.561 9.532 1.00 0.00 H new ATOM 185 N ARG A 12 11.383 12.957 5.278 1.00 0.00 N ATOM 186 CA ARG A 12 12.215 13.964 4.631 1.00 0.00 C ATOM 187 C ARG A 12 11.468 15.289 4.509 1.00 0.00 C ATOM 188 O ARG A 12 12.056 16.362 4.658 1.00 0.00 O ATOM 189 CB ARG A 12 12.652 13.484 3.246 1.00 0.00 C ATOM 190 CG ARG A 12 13.552 14.467 2.516 1.00 0.00 C ATOM 191 CD ARG A 12 14.893 13.842 2.165 1.00 0.00 C ATOM 192 NE ARG A 12 15.959 14.838 2.092 1.00 0.00 N ATOM 193 CZ ARG A 12 17.244 14.530 1.960 1.00 0.00 C ATOM 194 NH1 ARG A 12 17.621 13.261 1.887 1.00 0.00 N ATOM 195 NH2 ARG A 12 18.155 15.492 1.901 1.00 0.00 N ATOM 0 H ARG A 12 11.133 12.169 4.680 1.00 0.00 H new ATOM 0 HA ARG A 12 13.099 14.120 5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.175 12.533 3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.766 13.297 2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.058 14.806 1.605 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.712 15.347 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.149 13.091 2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.813 13.326 1.208 1.00 0.00 H new ATOM 0 HE ARG A 12 15.702 15.824 2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.923 12.518 1.932 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.609 13.027 1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.869 16.469 1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 12 19.142 15.254 1.800 1.00 0.00 H new ATOM 209 N LEU A 13 10.171 15.208 4.236 1.00 0.00 N ATOM 210 CA LEU A 13 9.343 16.401 4.094 1.00 0.00 C ATOM 211 C LEU A 13 9.156 17.098 5.437 1.00 0.00 C ATOM 212 O LEU A 13 9.564 18.245 5.614 1.00 0.00 O ATOM 213 CB LEU A 13 7.981 16.032 3.503 1.00 0.00 C ATOM 214 CG LEU A 13 7.550 16.820 2.265 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.857 15.907 1.266 1.00 0.00 C ATOM 216 CD2 LEU A 13 6.639 17.974 2.658 1.00 0.00 C ATOM 0 H LEU A 13 9.669 14.329 4.108 1.00 0.00 H new ATOM 0 HA LEU A 13 9.852 17.088 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.993 14.972 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.224 16.166 4.276 1.00 0.00 H new ATOM 0 HG LEU A 13 8.441 17.232 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.557 16.485 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.542 15.116 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.975 15.465 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.342 18.524 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.751 17.584 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.170 18.642 3.336 1.00 0.00 H new ATOM 228 N GLN A 14 8.537 16.396 6.381 1.00 0.00 N ATOM 229 CA GLN A 14 8.298 16.947 7.710 1.00 0.00 C ATOM 230 C GLN A 14 9.584 17.509 8.305 1.00 0.00 C ATOM 231 O GLN A 14 9.609 18.633 8.806 1.00 0.00 O ATOM 232 CB GLN A 14 7.720 15.874 8.634 1.00 0.00 C ATOM 233 CG GLN A 14 8.527 14.586 8.650 1.00 0.00 C ATOM 234 CD GLN A 14 9.427 14.476 9.865 1.00 0.00 C ATOM 235 OE1 GLN A 14 10.630 14.244 9.742 1.00 0.00 O ATOM 236 NE2 GLN A 14 8.847 14.642 11.048 1.00 0.00 N ATOM 0 H GLN A 14 8.192 15.445 6.250 1.00 0.00 H new ATOM 0 HA GLN A 14 7.578 17.760 7.615 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.664 16.271 9.648 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.700 15.650 8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.846 13.735 8.629 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.134 14.531 7.747 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.847 14.833 11.103 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.402 14.579 11.901 1.00 0.00 H new ATOM 245 N ALA A 15 10.652 16.720 8.248 1.00 0.00 N ATOM 246 CA ALA A 15 11.942 17.140 8.780 1.00 0.00 C ATOM 247 C ALA A 15 12.468 18.366 8.042 1.00 0.00 C ATOM 248 O ALA A 15 12.950 19.315 8.661 1.00 0.00 O ATOM 249 CB ALA A 15 12.945 15.999 8.693 1.00 0.00 C ATOM 0 H ALA A 15 10.649 15.786 7.838 1.00 0.00 H new ATOM 0 HA ALA A 15 11.805 17.410 9.827 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.904 16.326 9.094 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.581 15.150 9.271 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.069 15.702 7.652 1.00 0.00 H new ATOM 255 N TRP A 16 12.371 18.341 6.718 1.00 0.00 N ATOM 256 CA TRP A 16 12.838 19.452 5.896 1.00 0.00 C ATOM 257 C TRP A 16 12.233 20.769 6.367 1.00 0.00 C ATOM 258 O TRP A 16 12.942 21.649 6.855 1.00 0.00 O ATOM 259 CB TRP A 16 12.485 19.210 4.428 1.00 0.00 C ATOM 260 CG TRP A 16 12.677 20.420 3.564 1.00 0.00 C ATOM 261 CD1 TRP A 16 11.746 21.004 2.754 1.00 0.00 C ATOM 262 CD2 TRP A 16 13.876 21.191 3.423 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.294 22.092 2.118 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.598 22.228 2.512 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.155 21.107 3.979 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.554 23.172 2.146 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.103 22.044 3.615 1.00 0.00 C ATOM 268 CH2 TRP A 16 15.798 23.066 2.706 1.00 0.00 C ATOM 0 H TRP A 16 11.973 17.564 6.190 1.00 0.00 H new ATOM 0 HA TRP A 16 13.922 19.516 5.996 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.100 18.396 4.043 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.447 18.885 4.360 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.729 20.662 2.631 1.00 0.00 H new ATOM 0 HE1 TRP A 16 11.808 22.700 1.459 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.398 20.323 4.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.322 23.960 1.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.095 21.988 4.038 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.560 23.784 2.442 1.00 0.00 H new ATOM 279 N GLU A 17 10.918 20.898 6.219 1.00 0.00 N ATOM 280 CA GLU A 17 10.219 22.110 6.629 1.00 0.00 C ATOM 281 C GLU A 17 10.432 22.385 8.115 1.00 0.00 C ATOM 282 O GLU A 17 10.490 23.538 8.542 1.00 0.00 O ATOM 283 CB GLU A 17 8.723 21.988 6.331 1.00 0.00 C ATOM 284 CG GLU A 17 8.070 20.779 6.979 1.00 0.00 C ATOM 285 CD GLU A 17 7.607 21.055 8.397 1.00 0.00 C ATOM 286 OE1 GLU A 17 7.725 22.216 8.843 1.00 0.00 O ATOM 287 OE2 GLU A 17 7.127 20.112 9.059 1.00 0.00 O ATOM 0 H GLU A 17 10.316 20.179 5.819 1.00 0.00 H new ATOM 0 HA GLU A 17 10.629 22.945 6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.218 22.891 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.579 21.933 5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.217 20.465 6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.777 19.950 6.987 1.00 0.00 H new ATOM 294 N ARG A 18 10.548 21.317 8.897 1.00 0.00 N ATOM 295 CA ARG A 18 10.753 21.442 10.335 1.00 0.00 C ATOM 296 C ARG A 18 11.978 22.300 10.637 1.00 0.00 C ATOM 297 O ARG A 18 11.856 23.426 11.120 1.00 0.00 O ATOM 298 CB ARG A 18 10.916 20.060 10.971 1.00 0.00 C ATOM 299 CG ARG A 18 9.632 19.508 11.568 1.00 0.00 C ATOM 300 CD ARG A 18 9.174 20.331 12.762 1.00 0.00 C ATOM 301 NE ARG A 18 9.644 19.770 14.025 1.00 0.00 N ATOM 302 CZ ARG A 18 9.129 20.090 15.208 1.00 0.00 C ATOM 303 NH1 ARG A 18 8.134 20.963 15.287 1.00 0.00 N ATOM 304 NH2 ARG A 18 9.610 19.537 16.314 1.00 0.00 N ATOM 0 H ARG A 18 10.504 20.356 8.559 1.00 0.00 H new ATOM 0 HA ARG A 18 9.876 21.929 10.760 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.285 19.364 10.217 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.675 20.116 11.752 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.850 19.500 10.809 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.788 18.474 11.876 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.540 21.353 12.660 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.085 20.382 12.771 1.00 0.00 H new ATOM 0 HE ARG A 18 10.409 19.096 13.998 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.762 21.391 14.439 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.740 21.207 16.196 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.376 18.866 16.257 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.214 19.783 17.221 1.00 0.00 H new ATOM 318 N ALA A 19 13.158 21.760 10.350 1.00 0.00 N ATOM 319 CA ALA A 19 14.404 22.477 10.590 1.00 0.00 C ATOM 320 C ALA A 19 14.495 23.727 9.721 1.00 0.00 C ATOM 321 O ALA A 19 15.073 24.735 10.126 1.00 0.00 O ATOM 322 CB ALA A 19 15.595 21.565 10.332 1.00 0.00 C ATOM 0 H ALA A 19 13.277 20.829 9.951 1.00 0.00 H new ATOM 0 HA ALA A 19 14.419 22.791 11.634 1.00 0.00 H new ATOM 0 HB1 ALA A 19 16.519 22.113 10.515 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.545 20.704 10.999 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.574 21.224 9.297 1.00 0.00 H new ATOM 328 N PHE A 20 13.919 23.654 8.525 1.00 0.00 N ATOM 329 CA PHE A 20 13.936 24.779 7.599 1.00 0.00 C ATOM 330 C PHE A 20 13.320 26.020 8.239 1.00 0.00 C ATOM 331 O PHE A 20 14.018 26.990 8.535 1.00 0.00 O ATOM 332 CB PHE A 20 13.179 24.424 6.317 1.00 0.00 C ATOM 333 CG PHE A 20 12.742 25.624 5.527 1.00 0.00 C ATOM 334 CD1 PHE A 20 13.668 26.398 4.848 1.00 0.00 C ATOM 335 CD2 PHE A 20 11.403 25.977 5.464 1.00 0.00 C ATOM 336 CE1 PHE A 20 13.268 27.503 4.121 1.00 0.00 C ATOM 337 CE2 PHE A 20 10.997 27.081 4.738 1.00 0.00 C ATOM 338 CZ PHE A 20 11.930 27.845 4.065 1.00 0.00 C ATOM 0 H PHE A 20 13.435 22.827 8.175 1.00 0.00 H new ATOM 0 HA PHE A 20 14.975 24.997 7.351 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.815 23.798 5.691 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.302 23.830 6.575 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.715 26.135 4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.669 25.383 5.988 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.000 28.099 3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.951 27.346 4.697 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.615 28.707 3.496 1.00 0.00 H new ATOM 348 N ARG A 21 12.009 25.981 8.449 1.00 0.00 N ATOM 349 CA ARG A 21 11.298 27.102 9.052 1.00 0.00 C ATOM 350 C ARG A 21 11.807 27.372 10.465 1.00 0.00 C ATOM 351 O ARG A 21 11.572 28.442 11.026 1.00 0.00 O ATOM 352 CB ARG A 21 9.794 26.821 9.085 1.00 0.00 C ATOM 353 CG ARG A 21 9.005 27.827 9.908 1.00 0.00 C ATOM 354 CD ARG A 21 9.114 29.228 9.328 1.00 0.00 C ATOM 355 NE ARG A 21 7.812 29.885 9.237 1.00 0.00 N ATOM 356 CZ ARG A 21 6.910 29.601 8.304 1.00 0.00 C ATOM 357 NH1 ARG A 21 7.166 28.677 7.388 1.00 0.00 N ATOM 358 NH2 ARG A 21 5.748 30.242 8.287 1.00 0.00 N ATOM 0 H ARG A 21 11.417 25.185 8.211 1.00 0.00 H new ATOM 0 HA ARG A 21 11.482 27.987 8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.411 26.819 8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.628 25.823 9.490 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.958 27.527 9.944 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.372 27.827 10.934 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.780 29.827 9.949 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.564 29.176 8.337 1.00 0.00 H new ATOM 0 HE ARG A 21 7.583 30.600 9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.058 28.182 7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.471 28.461 6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.547 30.953 8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.056 30.024 7.571 1.00 0.00 H new ATOM 372 N ARG A 22 12.505 26.395 11.033 1.00 0.00 N ATOM 373 CA ARG A 22 13.046 26.526 12.381 1.00 0.00 C ATOM 374 C ARG A 22 14.289 27.411 12.384 1.00 0.00 C ATOM 375 O ARG A 22 14.413 28.319 13.205 1.00 0.00 O ATOM 376 CB ARG A 22 13.386 25.149 12.953 1.00 0.00 C ATOM 377 CG ARG A 22 12.261 24.533 13.768 1.00 0.00 C ATOM 378 CD ARG A 22 12.466 24.755 15.258 1.00 0.00 C ATOM 379 NE ARG A 22 11.630 25.838 15.770 1.00 0.00 N ATOM 380 CZ ARG A 22 11.641 26.240 17.036 1.00 0.00 C ATOM 381 NH1 ARG A 22 12.441 25.652 17.915 1.00 0.00 N ATOM 382 NH2 ARG A 22 10.851 27.232 17.426 1.00 0.00 N ATOM 0 H ARG A 22 12.710 25.504 10.581 1.00 0.00 H new ATOM 0 HA ARG A 22 12.286 26.994 13.007 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.639 24.477 12.133 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.273 25.235 13.581 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.309 24.967 13.462 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.205 23.464 13.563 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.238 23.835 15.796 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.514 24.985 15.450 1.00 0.00 H new ATOM 0 HE ARG A 22 11.003 26.312 15.119 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.050 24.889 17.620 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.447 25.963 18.886 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.234 27.687 16.753 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.861 27.539 18.399 1.00 0.00 H new ATOM 396 N GLN A 23 15.205 27.140 11.460 1.00 0.00 N ATOM 397 CA GLN A 23 16.438 27.911 11.358 1.00 0.00 C ATOM 398 C GLN A 23 16.309 29.006 10.304 1.00 0.00 C ATOM 399 O GLN A 23 16.443 30.192 10.607 1.00 0.00 O ATOM 400 CB GLN A 23 17.612 26.993 11.015 1.00 0.00 C ATOM 401 CG GLN A 23 17.761 25.815 11.965 1.00 0.00 C ATOM 402 CD GLN A 23 18.043 26.248 13.390 1.00 0.00 C ATOM 403 OE1 GLN A 23 17.125 26.542 14.156 1.00 0.00 O ATOM 404 NE2 GLN A 23 19.319 26.288 13.755 1.00 0.00 N ATOM 0 H GLN A 23 15.117 26.393 10.772 1.00 0.00 H new ATOM 0 HA GLN A 23 16.624 28.381 12.324 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.484 26.617 10.000 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.533 27.576 11.025 1.00 0.00 H new ATOM 0 HG2 GLN A 23 16.849 25.218 11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.570 25.173 11.617 1.00 0.00 H new ATOM 0 HE21 GLN A 23 20.048 26.036 13.088 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.570 26.571 14.702 1.00 0.00 H new ATOM 413 N ARG A 24 16.048 28.601 9.065 1.00 0.00 N ATOM 414 CA ARG A 24 15.903 29.547 7.966 1.00 0.00 C ATOM 415 C ARG A 24 14.712 30.472 8.199 1.00 0.00 C ATOM 416 O ARG A 24 14.848 31.695 8.175 1.00 0.00 O ATOM 417 CB ARG A 24 15.732 28.802 6.642 1.00 0.00 C ATOM 418 CG ARG A 24 17.014 28.161 6.134 1.00 0.00 C ATOM 419 CD ARG A 24 18.043 29.209 5.741 1.00 0.00 C ATOM 420 NE ARG A 24 19.218 28.613 5.111 1.00 0.00 N ATOM 421 CZ ARG A 24 20.199 28.028 5.789 1.00 0.00 C ATOM 422 NH1 ARG A 24 20.146 27.960 7.112 1.00 0.00 N ATOM 423 NH2 ARG A 24 21.235 27.509 5.143 1.00 0.00 N ATOM 0 H ARG A 24 15.933 27.623 8.798 1.00 0.00 H new ATOM 0 HA ARG A 24 16.808 30.152 7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.973 28.029 6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.360 29.497 5.889 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.429 27.514 6.906 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.790 27.529 5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.588 29.925 5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 24 18.350 29.766 6.626 1.00 0.00 H new ATOM 0 HE ARG A 24 19.289 28.648 4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.351 28.357 7.612 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.901 27.510 7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.278 27.559 4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.988 27.060 5.664 1.00 0.00 H new ATOM 437 N GLY A 25 13.543 29.878 8.423 1.00 0.00 N ATOM 438 CA GLY A 25 12.345 30.663 8.656 1.00 0.00 C ATOM 439 C GLY A 25 12.063 31.639 7.531 1.00 0.00 C ATOM 440 O GLY A 25 11.638 32.769 7.772 1.00 0.00 O ATOM 0 H GLY A 25 13.405 28.868 8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.493 29.993 8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.451 31.212 9.591 1.00 0.00 H new ATOM 444 N ARG A 26 12.302 31.203 6.299 1.00 0.00 N ATOM 445 CA ARG A 26 12.074 32.048 5.132 1.00 0.00 C ATOM 446 C ARG A 26 12.497 31.333 3.852 1.00 0.00 C ATOM 447 O ARG A 26 13.269 30.375 3.891 1.00 0.00 O ATOM 448 CB ARG A 26 12.841 33.364 5.271 1.00 0.00 C ATOM 449 CG ARG A 26 14.267 33.188 5.766 1.00 0.00 C ATOM 450 CD ARG A 26 15.241 34.049 4.976 1.00 0.00 C ATOM 451 NE ARG A 26 16.572 33.451 4.912 1.00 0.00 N ATOM 452 CZ ARG A 26 17.559 33.932 4.164 1.00 0.00 C ATOM 453 NH1 ARG A 26 17.365 35.013 3.421 1.00 0.00 N ATOM 454 NH2 ARG A 26 18.742 33.333 4.159 1.00 0.00 N ATOM 0 H ARG A 26 12.653 30.270 6.082 1.00 0.00 H new ATOM 0 HA ARG A 26 11.007 32.262 5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.860 33.867 4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.304 34.017 5.960 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.322 33.451 6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.556 32.140 5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.860 34.194 3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.308 35.035 5.435 1.00 0.00 H new ATOM 0 HE ARG A 26 16.754 32.618 5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.457 35.477 3.423 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.124 35.381 2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 26 18.895 32.502 4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 26 19.499 33.703 3.584 1.00 0.00 H new ATOM 468 N ARG A 27 11.985 31.804 2.720 1.00 0.00 N ATOM 469 CA ARG A 27 12.308 31.209 1.429 1.00 0.00 C ATOM 470 C ARG A 27 13.810 30.975 1.300 1.00 0.00 C ATOM 471 O ARG A 27 14.623 31.882 1.481 1.00 0.00 O ATOM 472 CB ARG A 27 11.821 32.110 0.292 1.00 0.00 C ATOM 473 CG ARG A 27 11.014 31.375 -0.764 1.00 0.00 C ATOM 474 CD ARG A 27 11.364 31.852 -2.165 1.00 0.00 C ATOM 475 NE ARG A 27 12.495 31.119 -2.726 1.00 0.00 N ATOM 476 CZ ARG A 27 12.403 29.888 -3.216 1.00 0.00 C ATOM 477 NH1 ARG A 27 11.238 29.256 -3.215 1.00 0.00 N ATOM 478 NH2 ARG A 27 13.478 29.287 -3.710 1.00 0.00 N ATOM 0 H ARG A 27 11.344 32.596 2.671 1.00 0.00 H new ATOM 0 HA ARG A 27 11.801 30.247 1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.212 32.911 0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.683 32.579 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.201 30.304 -0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.950 31.527 -0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.497 31.734 -2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.599 32.916 -2.137 1.00 0.00 H new ATOM 0 HE ARG A 27 13.406 31.577 -2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.409 29.715 -2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.170 28.311 -3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.376 29.770 -3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.406 28.342 -4.086 1.00 0.00 H new ATOM 492 N PRO A 28 14.189 29.729 0.979 1.00 0.00 N ATOM 493 CA PRO A 28 15.595 29.345 0.818 1.00 0.00 C ATOM 494 C PRO A 28 16.225 29.962 -0.426 1.00 0.00 C ATOM 495 O PRO A 28 15.523 30.441 -1.317 1.00 0.00 O ATOM 496 CB PRO A 28 15.534 27.822 0.687 1.00 0.00 C ATOM 497 CG PRO A 28 14.168 27.540 0.163 1.00 0.00 C ATOM 498 CD PRO A 28 13.274 28.598 0.748 1.00 0.00 C ATOM 0 HA PRO A 28 16.210 29.690 1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 28 16.302 27.452 0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.697 27.335 1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 28 14.153 27.575 -0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 28 13.836 26.544 0.455 1.00 0.00 H new ATOM 0 HD2 PRO A 28 12.468 28.866 0.065 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.808 28.263 1.674 1.00 0.00 H new ATOM 506 N SER A 29 17.553 29.947 -0.481 1.00 0.00 N ATOM 507 CA SER A 29 18.277 30.508 -1.615 1.00 0.00 C ATOM 508 C SER A 29 18.717 29.408 -2.577 1.00 0.00 C ATOM 509 O SER A 29 18.730 28.229 -2.223 1.00 0.00 O ATOM 510 CB SER A 29 19.497 31.294 -1.130 1.00 0.00 C ATOM 511 OG SER A 29 19.320 31.738 0.204 1.00 0.00 O ATOM 0 H SER A 29 18.149 29.552 0.247 1.00 0.00 H new ATOM 0 HA SER A 29 17.605 31.183 -2.145 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.386 30.667 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.665 32.151 -1.783 1.00 0.00 H new ATOM 0 HG SER A 29 20.114 32.236 0.491 1.00 0.00 H new ATOM 517 N GLN A 30 19.075 29.804 -3.794 1.00 0.00 N ATOM 518 CA GLN A 30 19.515 28.852 -4.808 1.00 0.00 C ATOM 519 C GLN A 30 20.715 28.050 -4.317 1.00 0.00 C ATOM 520 O GLN A 30 20.991 26.958 -4.815 1.00 0.00 O ATOM 521 CB GLN A 30 19.870 29.582 -6.104 1.00 0.00 C ATOM 522 CG GLN A 30 19.062 29.118 -7.305 1.00 0.00 C ATOM 523 CD GLN A 30 19.176 30.062 -8.486 1.00 0.00 C ATOM 524 OE1 GLN A 30 20.203 30.103 -9.165 1.00 0.00 O ATOM 525 NE2 GLN A 30 18.120 30.826 -8.738 1.00 0.00 N ATOM 0 H GLN A 30 19.069 30.776 -4.102 1.00 0.00 H new ATOM 0 HA GLN A 30 18.694 28.161 -5.002 1.00 0.00 H new ATOM 0 HB2 GLN A 30 19.714 30.652 -5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.930 29.439 -6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 30 19.400 28.126 -7.604 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.014 29.025 -7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 30 17.290 30.759 -8.149 1.00 0.00 H new ATOM 0 HE22 GLN A 30 18.139 31.480 -9.520 1.00 0.00 H new ATOM 534 N ASP A 31 21.427 28.598 -3.338 1.00 0.00 N ATOM 535 CA ASP A 31 22.598 27.933 -2.779 1.00 0.00 C ATOM 536 C ASP A 31 22.193 26.691 -1.991 1.00 0.00 C ATOM 537 O ASP A 31 22.807 25.632 -2.123 1.00 0.00 O ATOM 538 CB ASP A 31 23.375 28.894 -1.878 1.00 0.00 C ATOM 539 CG ASP A 31 24.286 29.816 -2.664 1.00 0.00 C ATOM 540 OD1 ASP A 31 23.825 30.907 -3.064 1.00 0.00 O ATOM 541 OD2 ASP A 31 25.459 29.448 -2.880 1.00 0.00 O ATOM 0 H ASP A 31 21.213 29.501 -2.915 1.00 0.00 H new ATOM 0 HA ASP A 31 23.239 27.624 -3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 31 22.672 29.491 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 31 23.969 28.320 -1.167 1.00 0.00 H new ATOM 546 N ASP A 32 21.158 26.830 -1.170 1.00 0.00 N ATOM 547 CA ASP A 32 20.671 25.719 -0.359 1.00 0.00 C ATOM 548 C ASP A 32 19.709 24.845 -1.157 1.00 0.00 C ATOM 549 O ASP A 32 19.706 23.622 -1.020 1.00 0.00 O ATOM 550 CB ASP A 32 19.979 26.244 0.900 1.00 0.00 C ATOM 551 CG ASP A 32 20.544 25.635 2.168 1.00 0.00 C ATOM 552 OD1 ASP A 32 21.778 25.695 2.357 1.00 0.00 O ATOM 553 OD2 ASP A 32 19.753 25.099 2.972 1.00 0.00 O ATOM 0 H ASP A 32 20.640 27.700 -1.048 1.00 0.00 H new ATOM 0 HA ASP A 32 21.527 25.112 -0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.084 27.328 0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.912 26.029 0.841 1.00 0.00 H new ATOM 558 N VAL A 33 18.892 25.481 -1.990 1.00 0.00 N ATOM 559 CA VAL A 33 17.924 24.762 -2.810 1.00 0.00 C ATOM 560 C VAL A 33 18.624 23.874 -3.834 1.00 0.00 C ATOM 561 O VAL A 33 18.322 22.687 -3.948 1.00 0.00 O ATOM 562 CB VAL A 33 16.982 25.732 -3.548 1.00 0.00 C ATOM 563 CG1 VAL A 33 16.022 24.965 -4.445 1.00 0.00 C ATOM 564 CG2 VAL A 33 16.221 26.594 -2.552 1.00 0.00 C ATOM 0 H VAL A 33 18.881 26.493 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 33 17.336 24.141 -2.134 1.00 0.00 H new ATOM 0 HB VAL A 33 17.583 26.388 -4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.364 25.667 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.589 24.394 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.424 24.284 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.560 27.274 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.629 25.956 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.928 27.171 -1.956 1.00 0.00 H new ATOM 574 N GLU A 34 19.560 24.459 -4.575 1.00 0.00 N ATOM 575 CA GLU A 34 20.302 23.719 -5.589 1.00 0.00 C ATOM 576 C GLU A 34 21.350 22.816 -4.946 1.00 0.00 C ATOM 577 O GLU A 34 21.994 22.015 -5.623 1.00 0.00 O ATOM 578 CB GLU A 34 20.976 24.686 -6.566 1.00 0.00 C ATOM 579 CG GLU A 34 21.095 24.140 -7.978 1.00 0.00 C ATOM 580 CD GLU A 34 22.490 24.299 -8.550 1.00 0.00 C ATOM 581 OE1 GLU A 34 23.328 23.400 -8.327 1.00 0.00 O ATOM 582 OE2 GLU A 34 22.745 25.322 -9.219 1.00 0.00 O ATOM 0 H GLU A 34 19.822 25.441 -4.492 1.00 0.00 H new ATOM 0 HA GLU A 34 19.596 23.094 -6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.409 25.617 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 34 21.971 24.929 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.824 23.084 -7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.381 24.653 -8.623 1.00 0.00 H new ATOM 589 N ALA A 35 21.516 22.953 -3.635 1.00 0.00 N ATOM 590 CA ALA A 35 22.484 22.149 -2.899 1.00 0.00 C ATOM 591 C ALA A 35 21.998 20.712 -2.740 1.00 0.00 C ATOM 592 O ALA A 35 22.797 19.790 -2.585 1.00 0.00 O ATOM 593 CB ALA A 35 22.759 22.769 -1.537 1.00 0.00 C ATOM 0 H ALA A 35 20.993 23.613 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 35 23.412 22.129 -3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 35 23.484 22.158 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 35 23.159 23.774 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.832 22.819 -0.966 1.00 0.00 H new ATOM 599 N ALA A 36 20.682 20.530 -2.780 1.00 0.00 N ATOM 600 CA ALA A 36 20.089 19.206 -2.642 1.00 0.00 C ATOM 601 C ALA A 36 20.032 18.487 -3.986 1.00 0.00 C ATOM 602 O ALA A 36 20.137 19.098 -5.049 1.00 0.00 O ATOM 603 CB ALA A 36 18.697 19.311 -2.038 1.00 0.00 C ATOM 0 H ALA A 36 20.006 21.283 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 36 20.720 18.621 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.266 18.314 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.761 19.776 -1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.064 19.918 -2.685 1.00 0.00 H new ATOM 609 N PRO A 37 19.863 17.157 -3.939 1.00 0.00 N ATOM 610 CA PRO A 37 19.788 16.326 -5.145 1.00 0.00 C ATOM 611 C PRO A 37 18.503 16.561 -5.932 1.00 0.00 C ATOM 612 O PRO A 37 17.667 17.376 -5.544 1.00 0.00 O ATOM 613 CB PRO A 37 19.824 14.898 -4.594 1.00 0.00 C ATOM 614 CG PRO A 37 19.293 15.014 -3.207 1.00 0.00 C ATOM 615 CD PRO A 37 19.730 16.362 -2.707 1.00 0.00 C ATOM 0 HA PRO A 37 20.594 16.548 -5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.214 14.226 -5.197 1.00 0.00 H new ATOM 0 HB3 PRO A 37 20.838 14.498 -4.598 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.206 14.928 -3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.682 14.218 -2.572 1.00 0.00 H new ATOM 0 HD2 PRO A 37 18.997 16.795 -2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.673 16.303 -2.164 1.00 0.00 H new ATOM 623 N GLU A 38 18.354 15.841 -7.040 1.00 0.00 N ATOM 624 CA GLU A 38 17.170 15.973 -7.881 1.00 0.00 C ATOM 625 C GLU A 38 15.906 15.621 -7.102 1.00 0.00 C ATOM 626 O GLU A 38 15.028 16.462 -6.911 1.00 0.00 O ATOM 627 CB GLU A 38 17.290 15.073 -9.113 1.00 0.00 C ATOM 628 CG GLU A 38 17.005 15.791 -10.421 1.00 0.00 C ATOM 629 CD GLU A 38 16.835 14.835 -11.586 1.00 0.00 C ATOM 630 OE1 GLU A 38 17.851 14.272 -12.045 1.00 0.00 O ATOM 631 OE2 GLU A 38 15.686 14.650 -12.038 1.00 0.00 O ATOM 0 H GLU A 38 19.037 15.162 -7.375 1.00 0.00 H new ATOM 0 HA GLU A 38 17.099 17.012 -8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.296 14.654 -9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.599 14.236 -9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.101 16.390 -10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.821 16.481 -10.638 1.00 0.00 H new ATOM 638 N GLU A 39 15.822 14.372 -6.654 1.00 0.00 N ATOM 639 CA GLU A 39 14.666 13.909 -5.897 1.00 0.00 C ATOM 640 C GLU A 39 14.313 14.894 -4.786 1.00 0.00 C ATOM 641 O GLU A 39 13.185 15.382 -4.707 1.00 0.00 O ATOM 642 CB GLU A 39 14.939 12.527 -5.300 1.00 0.00 C ATOM 643 CG GLU A 39 13.679 11.754 -4.951 1.00 0.00 C ATOM 644 CD GLU A 39 13.115 10.992 -6.135 1.00 0.00 C ATOM 645 OE1 GLU A 39 13.117 11.548 -7.253 1.00 0.00 O ATOM 646 OE2 GLU A 39 12.673 9.840 -5.944 1.00 0.00 O ATOM 0 H GLU A 39 16.541 13.664 -6.802 1.00 0.00 H new ATOM 0 HA GLU A 39 13.820 13.841 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.528 11.944 -6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.545 12.642 -4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.898 11.054 -4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.925 12.446 -4.576 1.00 0.00 H new ATOM 653 N THR A 40 15.286 15.182 -3.927 1.00 0.00 N ATOM 654 CA THR A 40 15.079 16.106 -2.820 1.00 0.00 C ATOM 655 C THR A 40 14.614 17.469 -3.320 1.00 0.00 C ATOM 656 O THR A 40 13.689 18.062 -2.765 1.00 0.00 O ATOM 657 CB THR A 40 16.366 16.289 -1.992 1.00 0.00 C ATOM 658 OG1 THR A 40 16.778 15.032 -1.444 1.00 0.00 O ATOM 659 CG2 THR A 40 16.149 17.291 -0.869 1.00 0.00 C ATOM 0 H THR A 40 16.225 14.788 -3.977 1.00 0.00 H new ATOM 0 HA THR A 40 14.306 15.671 -2.187 1.00 0.00 H new ATOM 0 HB THR A 40 17.145 16.670 -2.652 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.597 15.156 -0.921 1.00 0.00 H new ATOM 0 HG21 THR A 40 17.071 17.403 -0.299 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.864 18.255 -1.291 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.357 16.934 -0.211 1.00 0.00 H new ATOM 667 N ARG A 41 15.259 17.959 -4.373 1.00 0.00 N ATOM 668 CA ARG A 41 14.911 19.253 -4.948 1.00 0.00 C ATOM 669 C ARG A 41 13.429 19.307 -5.308 1.00 0.00 C ATOM 670 O ARG A 41 12.763 20.319 -5.090 1.00 0.00 O ATOM 671 CB ARG A 41 15.758 19.527 -6.192 1.00 0.00 C ATOM 672 CG ARG A 41 17.088 20.196 -5.888 1.00 0.00 C ATOM 673 CD ARG A 41 17.977 20.255 -7.120 1.00 0.00 C ATOM 674 NE ARG A 41 18.069 21.606 -7.665 1.00 0.00 N ATOM 675 CZ ARG A 41 18.439 21.872 -8.913 1.00 0.00 C ATOM 676 NH1 ARG A 41 18.748 20.884 -9.741 1.00 0.00 N ATOM 677 NH2 ARG A 41 18.498 23.129 -9.335 1.00 0.00 N ATOM 0 H ARG A 41 16.025 17.480 -4.846 1.00 0.00 H new ATOM 0 HA ARG A 41 15.115 20.020 -4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.944 18.586 -6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.191 20.159 -6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.912 21.205 -5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.599 19.649 -5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.975 19.899 -6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.584 19.583 -7.883 1.00 0.00 H new ATOM 0 HE ARG A 41 17.836 22.389 -7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.702 19.917 -9.420 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.032 21.091 -10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.259 23.892 -8.701 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.782 23.332 -10.293 1.00 0.00 H new ATOM 691 N ALA A 42 12.918 18.210 -5.859 1.00 0.00 N ATOM 692 CA ALA A 42 11.516 18.132 -6.247 1.00 0.00 C ATOM 693 C ALA A 42 10.605 18.163 -5.024 1.00 0.00 C ATOM 694 O ALA A 42 9.664 18.955 -4.958 1.00 0.00 O ATOM 695 CB ALA A 42 11.263 16.873 -7.063 1.00 0.00 C ATOM 0 H ALA A 42 13.455 17.363 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 42 11.286 19.003 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.211 16.828 -7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.880 16.892 -7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.516 15.996 -6.467 1.00 0.00 H new ATOM 701 N LEU A 43 10.891 17.298 -4.057 1.00 0.00 N ATOM 702 CA LEU A 43 10.097 17.226 -2.835 1.00 0.00 C ATOM 703 C LEU A 43 10.113 18.561 -2.096 1.00 0.00 C ATOM 704 O LEU A 43 9.070 19.065 -1.681 1.00 0.00 O ATOM 705 CB LEU A 43 10.627 16.119 -1.923 1.00 0.00 C ATOM 706 CG LEU A 43 10.920 14.777 -2.597 1.00 0.00 C ATOM 707 CD1 LEU A 43 12.193 14.164 -2.035 1.00 0.00 C ATOM 708 CD2 LEU A 43 9.745 13.826 -2.423 1.00 0.00 C ATOM 0 H LEU A 43 11.667 16.637 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 43 9.068 16.997 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.543 16.473 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.901 15.952 -1.127 1.00 0.00 H new ATOM 0 HG LEU A 43 11.066 14.951 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.385 13.210 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.031 14.839 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.077 14.003 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.970 12.876 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.568 13.657 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.854 14.262 -2.875 1.00 0.00 H new ATOM 720 N TYR A 44 11.304 19.128 -1.937 1.00 0.00 N ATOM 721 CA TYR A 44 11.456 20.404 -1.248 1.00 0.00 C ATOM 722 C TYR A 44 10.675 21.504 -1.960 1.00 0.00 C ATOM 723 O TYR A 44 9.759 22.098 -1.391 1.00 0.00 O ATOM 724 CB TYR A 44 12.935 20.787 -1.160 1.00 0.00 C ATOM 725 CG TYR A 44 13.697 20.020 -0.104 1.00 0.00 C ATOM 726 CD1 TYR A 44 13.121 18.938 0.550 1.00 0.00 C ATOM 727 CD2 TYR A 44 14.995 20.377 0.240 1.00 0.00 C ATOM 728 CE1 TYR A 44 13.814 18.235 1.516 1.00 0.00 C ATOM 729 CE2 TYR A 44 15.697 19.679 1.204 1.00 0.00 C ATOM 730 CZ TYR A 44 15.101 18.609 1.840 1.00 0.00 C ATOM 731 OH TYR A 44 15.796 17.911 2.801 1.00 0.00 O ATOM 0 H TYR A 44 12.177 18.724 -2.276 1.00 0.00 H new ATOM 0 HA TYR A 44 11.056 20.294 -0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.404 20.618 -2.129 1.00 0.00 H new ATOM 0 HB3 TYR A 44 13.014 21.854 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.113 18.641 0.299 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.464 21.215 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.350 17.397 2.015 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.706 19.969 1.458 1.00 0.00 H new ATOM 0 HH TYR A 44 16.688 18.302 2.909 1.00 0.00 H new ATOM 741 N ARG A 45 11.046 21.771 -3.208 1.00 0.00 N ATOM 742 CA ARG A 45 10.382 22.800 -3.999 1.00 0.00 C ATOM 743 C ARG A 45 8.880 22.543 -4.074 1.00 0.00 C ATOM 744 O ARG A 45 8.091 23.468 -4.266 1.00 0.00 O ATOM 745 CB ARG A 45 10.973 22.851 -5.409 1.00 0.00 C ATOM 746 CG ARG A 45 11.029 24.252 -5.996 1.00 0.00 C ATOM 747 CD ARG A 45 12.090 24.360 -7.079 1.00 0.00 C ATOM 748 NE ARG A 45 11.747 25.363 -8.084 1.00 0.00 N ATOM 749 CZ ARG A 45 12.594 25.795 -9.011 1.00 0.00 C ATOM 750 NH1 ARG A 45 13.828 25.313 -9.062 1.00 0.00 N ATOM 751 NH2 ARG A 45 12.207 26.710 -9.891 1.00 0.00 N ATOM 0 H ARG A 45 11.803 21.289 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 45 10.545 23.760 -3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.980 22.435 -5.387 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.380 22.215 -6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.056 24.513 -6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.241 24.971 -5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.047 24.615 -6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.215 23.391 -7.562 1.00 0.00 H new ATOM 0 HE ARG A 45 10.805 25.753 -8.073 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.129 24.609 -8.388 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.477 25.646 -9.775 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.258 27.082 -9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.859 27.041 -10.603 1.00 0.00 H new ATOM 765 N GLU A 46 8.492 21.280 -3.923 1.00 0.00 N ATOM 766 CA GLU A 46 7.085 20.902 -3.976 1.00 0.00 C ATOM 767 C GLU A 46 6.332 21.437 -2.762 1.00 0.00 C ATOM 768 O GLU A 46 5.359 22.179 -2.899 1.00 0.00 O ATOM 769 CB GLU A 46 6.945 19.380 -4.047 1.00 0.00 C ATOM 770 CG GLU A 46 6.809 18.846 -5.463 1.00 0.00 C ATOM 771 CD GLU A 46 5.364 18.747 -5.912 1.00 0.00 C ATOM 772 OE1 GLU A 46 4.663 17.821 -5.453 1.00 0.00 O ATOM 773 OE2 GLU A 46 4.934 19.595 -6.722 1.00 0.00 O ATOM 0 H GLU A 46 9.132 20.502 -3.763 1.00 0.00 H new ATOM 0 HA GLU A 46 6.651 21.342 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.815 18.921 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.073 19.077 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.354 19.497 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.272 17.861 -5.522 1.00 0.00 H new ATOM 780 N TYR A 47 6.788 21.055 -1.574 1.00 0.00 N ATOM 781 CA TYR A 47 6.156 21.493 -0.336 1.00 0.00 C ATOM 782 C TYR A 47 6.329 22.996 -0.138 1.00 0.00 C ATOM 783 O TYR A 47 5.519 23.643 0.526 1.00 0.00 O ATOM 784 CB TYR A 47 6.747 20.739 0.857 1.00 0.00 C ATOM 785 CG TYR A 47 6.093 21.085 2.176 1.00 0.00 C ATOM 786 CD1 TYR A 47 4.832 20.598 2.498 1.00 0.00 C ATOM 787 CD2 TYR A 47 6.737 21.897 3.101 1.00 0.00 C ATOM 788 CE1 TYR A 47 4.231 20.911 3.701 1.00 0.00 C ATOM 789 CE2 TYR A 47 6.144 22.215 4.307 1.00 0.00 C ATOM 790 CZ TYR A 47 4.891 21.720 4.603 1.00 0.00 C ATOM 791 OH TYR A 47 4.296 22.034 5.803 1.00 0.00 O ATOM 0 H TYR A 47 7.593 20.443 -1.443 1.00 0.00 H new ATOM 0 HA TYR A 47 5.090 21.274 -0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.650 19.667 0.683 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.813 20.956 0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.313 19.964 1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.718 22.286 2.873 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.250 20.525 3.935 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.659 22.848 5.015 1.00 0.00 H new ATOM 0 HH TYR A 47 4.893 22.611 6.323 1.00 0.00 H new ATOM 801 N ARG A 48 7.391 23.544 -0.720 1.00 0.00 N ATOM 802 CA ARG A 48 7.671 24.971 -0.608 1.00 0.00 C ATOM 803 C ARG A 48 6.735 25.781 -1.500 1.00 0.00 C ATOM 804 O ARG A 48 6.210 26.817 -1.090 1.00 0.00 O ATOM 805 CB ARG A 48 9.126 25.257 -0.985 1.00 0.00 C ATOM 806 CG ARG A 48 9.809 26.255 -0.065 1.00 0.00 C ATOM 807 CD ARG A 48 9.330 27.674 -0.329 1.00 0.00 C ATOM 808 NE ARG A 48 9.593 28.560 0.802 1.00 0.00 N ATOM 809 CZ ARG A 48 8.960 28.473 1.967 1.00 0.00 C ATOM 810 NH1 ARG A 48 8.032 27.545 2.153 1.00 0.00 N ATOM 811 NH2 ARG A 48 9.256 29.316 2.948 1.00 0.00 N ATOM 0 H ARG A 48 8.071 23.022 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 48 7.505 25.268 0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.686 24.322 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.160 25.635 -2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.610 25.990 0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.889 26.202 -0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.825 28.064 -1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.261 27.662 -0.539 1.00 0.00 H new ATOM 0 HE ARG A 48 10.302 29.285 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.802 26.895 1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.548 27.480 3.048 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.970 30.031 2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.770 29.249 3.842 1.00 0.00 H new ATOM 825 N THR A 49 6.529 25.302 -2.723 1.00 0.00 N ATOM 826 CA THR A 49 5.658 25.982 -3.673 1.00 0.00 C ATOM 827 C THR A 49 4.196 25.868 -3.257 1.00 0.00 C ATOM 828 O THR A 49 3.411 26.797 -3.451 1.00 0.00 O ATOM 829 CB THR A 49 5.822 25.410 -5.094 1.00 0.00 C ATOM 830 OG1 THR A 49 7.170 25.591 -5.543 1.00 0.00 O ATOM 831 CG2 THR A 49 4.864 26.086 -6.063 1.00 0.00 C ATOM 0 H THR A 49 6.954 24.446 -3.079 1.00 0.00 H new ATOM 0 HA THR A 49 5.951 27.032 -3.676 1.00 0.00 H new ATOM 0 HB THR A 49 5.590 24.345 -5.062 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.753 24.939 -5.100 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.998 25.666 -7.060 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.838 25.921 -5.735 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.069 27.156 -6.090 1.00 0.00 H new ATOM 839 N LEU A 50 3.836 24.725 -2.685 1.00 0.00 N ATOM 840 CA LEU A 50 2.467 24.490 -2.240 1.00 0.00 C ATOM 841 C LEU A 50 2.174 25.253 -0.952 1.00 0.00 C ATOM 842 O LEU A 50 1.106 25.847 -0.799 1.00 0.00 O ATOM 843 CB LEU A 50 2.229 22.994 -2.025 1.00 0.00 C ATOM 844 CG LEU A 50 2.242 22.125 -3.283 1.00 0.00 C ATOM 845 CD1 LEU A 50 1.973 20.670 -2.929 1.00 0.00 C ATOM 846 CD2 LEU A 50 1.219 22.628 -4.290 1.00 0.00 C ATOM 0 H LEU A 50 4.473 23.946 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 50 1.792 24.851 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.991 22.620 -1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.266 22.867 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 50 3.231 22.191 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.986 20.066 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.743 20.314 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.997 20.586 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.243 21.997 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.224 22.593 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.456 23.655 -4.568 1.00 0.00 H new ATOM 858 N LYS A 51 3.130 25.235 -0.029 1.00 0.00 N ATOM 859 CA LYS A 51 2.977 25.928 1.244 1.00 0.00 C ATOM 860 C LYS A 51 3.016 27.440 1.049 1.00 0.00 C ATOM 861 O LYS A 51 2.311 28.182 1.733 1.00 0.00 O ATOM 862 CB LYS A 51 4.079 25.500 2.216 1.00 0.00 C ATOM 863 CG LYS A 51 3.945 26.117 3.598 1.00 0.00 C ATOM 864 CD LYS A 51 4.709 25.319 4.641 1.00 0.00 C ATOM 865 CE LYS A 51 4.935 26.130 5.908 1.00 0.00 C ATOM 866 NZ LYS A 51 4.673 25.328 7.135 1.00 0.00 N ATOM 0 H LYS A 51 4.019 24.748 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 51 2.007 25.658 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.068 24.414 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.047 25.774 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.317 27.141 3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.892 26.166 3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.156 24.411 4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.670 25.008 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.961 26.496 5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.284 27.005 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.838 25.917 7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.686 24.999 7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.311 24.507 7.156 1.00 0.00 H new ATOM 880 N ARG A 52 3.843 27.890 0.111 1.00 0.00 N ATOM 881 CA ARG A 52 3.973 29.314 -0.174 1.00 0.00 C ATOM 882 C ARG A 52 2.780 29.818 -0.980 1.00 0.00 C ATOM 883 O ARG A 52 2.225 30.879 -0.692 1.00 0.00 O ATOM 884 CB ARG A 52 5.271 29.587 -0.937 1.00 0.00 C ATOM 885 CG ARG A 52 6.515 29.518 -0.068 1.00 0.00 C ATOM 886 CD ARG A 52 6.655 30.756 0.803 1.00 0.00 C ATOM 887 NE ARG A 52 6.692 31.982 0.010 1.00 0.00 N ATOM 888 CZ ARG A 52 6.794 33.197 0.538 1.00 0.00 C ATOM 889 NH1 ARG A 52 6.870 33.347 1.853 1.00 0.00 N ATOM 890 NH2 ARG A 52 6.821 34.264 -0.250 1.00 0.00 N ATOM 0 H ARG A 52 4.433 27.289 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 52 3.999 29.848 0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.364 28.865 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.212 30.574 -1.395 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.470 28.631 0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.397 29.415 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.821 30.802 1.504 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.566 30.681 1.396 1.00 0.00 H new ATOM 0 HE ARG A 52 6.636 31.901 -1.005 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.850 32.529 2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.948 34.281 2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.763 34.152 -1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.899 35.196 0.156 1.00 0.00 H new ATOM 904 N THR A 53 2.390 29.051 -1.993 1.00 0.00 N ATOM 905 CA THR A 53 1.265 29.420 -2.842 1.00 0.00 C ATOM 906 C THR A 53 -0.061 29.205 -2.122 1.00 0.00 C ATOM 907 O THR A 53 -0.806 30.153 -1.873 1.00 0.00 O ATOM 908 CB THR A 53 1.261 28.610 -4.153 1.00 0.00 C ATOM 909 OG1 THR A 53 2.469 28.853 -4.882 1.00 0.00 O ATOM 910 CG2 THR A 53 0.061 28.978 -5.013 1.00 0.00 C ATOM 0 H THR A 53 2.837 28.170 -2.245 1.00 0.00 H new ATOM 0 HA THR A 53 1.381 30.478 -3.077 1.00 0.00 H new ATOM 0 HB THR A 53 1.196 27.552 -3.900 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.160 28.223 -4.589 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.080 28.394 -5.933 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.858 28.765 -4.466 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.100 30.040 -5.257 1.00 0.00 H new ATOM 918 N THR A 54 -0.352 27.951 -1.787 1.00 0.00 N ATOM 919 CA THR A 54 -1.588 27.612 -1.095 1.00 0.00 C ATOM 920 C THR A 54 -1.619 28.215 0.305 1.00 0.00 C ATOM 921 O THR A 54 -2.582 28.879 0.684 1.00 0.00 O ATOM 922 CB THR A 54 -1.772 26.086 -0.988 1.00 0.00 C ATOM 923 OG1 THR A 54 -1.302 25.452 -2.183 1.00 0.00 O ATOM 924 CG2 THR A 54 -3.234 25.732 -0.761 1.00 0.00 C ATOM 0 H THR A 54 0.253 27.154 -1.984 1.00 0.00 H new ATOM 0 HA THR A 54 -2.404 28.029 -1.685 1.00 0.00 H new ATOM 0 HB THR A 54 -1.192 25.730 -0.136 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.336 25.303 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.339 24.650 -0.689 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.581 26.193 0.164 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.831 26.100 -1.595 1.00 0.00 H new ATOM 932 N GLY A 55 -0.556 27.979 1.069 1.00 0.00 N ATOM 933 CA GLY A 55 -0.482 28.507 2.419 1.00 0.00 C ATOM 934 C GLY A 55 0.196 29.861 2.475 1.00 0.00 C ATOM 935 O GLY A 55 0.987 30.129 3.379 1.00 0.00 O ATOM 0 H GLY A 55 0.254 27.432 0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.489 28.591 2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.062 27.805 3.051 1.00 0.00 H new ATOM 939 N GLN A 56 -0.113 30.717 1.506 1.00 0.00 N ATOM 940 CA GLN A 56 0.474 32.050 1.448 1.00 0.00 C ATOM 941 C GLN A 56 0.036 32.890 2.643 1.00 0.00 C ATOM 942 O GLN A 56 0.229 34.106 2.665 1.00 0.00 O ATOM 943 CB GLN A 56 0.078 32.749 0.146 1.00 0.00 C ATOM 944 CG GLN A 56 -1.383 33.167 0.100 1.00 0.00 C ATOM 945 CD GLN A 56 -1.563 34.669 0.192 1.00 0.00 C ATOM 946 OE1 GLN A 56 -1.984 35.193 1.224 1.00 0.00 O ATOM 947 NE2 GLN A 56 -1.244 35.372 -0.888 1.00 0.00 N ATOM 0 H GLN A 56 -0.767 30.511 0.751 1.00 0.00 H new ATOM 0 HA GLN A 56 1.558 31.943 1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.704 33.631 0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.283 32.082 -0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.831 32.807 -0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.920 32.690 0.920 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.899 34.897 -1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.344 36.387 -0.884 1.00 0.00 H new TER 956 GLN A 56