USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 481 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 55 HIS : no HD1:sc= -0.773 K(o=-2.7,f=-11!) USER MOD Set 1.2: A 56 HIS : no HD1:sc= -1.88! C(o=-2.7!,f=-4.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.0347! (180deg=-0.291!) USER MOD Single : A 2 THR OG1 : rot -16:sc= 0.2 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 29:sc= -1.26! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.04) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 54 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.096 -22.161 -0.552 1.00 0.00 N ATOM 2 CA MET A 1 22.449 -21.933 -1.950 1.00 0.00 C ATOM 3 C MET A 1 22.241 -23.204 -2.768 1.00 0.00 C ATOM 4 O MET A 1 21.578 -23.184 -3.805 1.00 0.00 O ATOM 5 CB MET A 1 23.909 -21.490 -2.054 1.00 0.00 C ATOM 6 CG MET A 1 24.010 -19.994 -1.753 1.00 0.00 C ATOM 7 SD MET A 1 22.840 -19.561 -0.442 1.00 0.00 S ATOM 8 CE MET A 1 23.665 -18.046 0.104 1.00 0.00 C ATOM 0 H1 MET A 1 22.354 -21.326 0.012 1.00 0.00 H new ATOM 0 H2 MET A 1 21.072 -22.328 -0.475 1.00 0.00 H new ATOM 0 H3 MET A 1 22.610 -22.992 -0.195 1.00 0.00 H new ATOM 0 HA MET A 1 21.803 -21.149 -2.346 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.523 -22.055 -1.353 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.293 -21.698 -3.053 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.025 -19.742 -1.447 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.795 -19.416 -2.652 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.103 -17.601 0.925 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.674 -18.283 0.441 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.716 -17.340 -0.725 1.00 0.00 H new ATOM 18 N THR A 2 22.812 -24.307 -2.295 1.00 0.00 N ATOM 19 CA THR A 2 22.682 -25.581 -2.993 1.00 0.00 C ATOM 20 C THR A 2 21.569 -26.419 -2.372 1.00 0.00 C ATOM 21 O THR A 2 21.113 -27.397 -2.965 1.00 0.00 O ATOM 22 CB THR A 2 24.003 -26.352 -2.926 1.00 0.00 C ATOM 23 OG1 THR A 2 23.854 -27.600 -3.587 1.00 0.00 O ATOM 24 CG2 THR A 2 24.385 -26.587 -1.464 1.00 0.00 C ATOM 0 H THR A 2 23.365 -24.345 -1.439 1.00 0.00 H new ATOM 0 HA THR A 2 22.433 -25.380 -4.035 1.00 0.00 H new ATOM 0 HB THR A 2 24.788 -25.774 -3.414 1.00 0.00 H new ATOM 0 HG1 THR A 2 22.901 -27.797 -3.702 1.00 0.00 H new ATOM 0 HG21 THR A 2 25.326 -27.136 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 2 24.499 -25.628 -0.959 1.00 0.00 H new ATOM 0 HG23 THR A 2 23.603 -27.165 -0.972 1.00 0.00 H new ATOM 32 N TYR A 3 21.138 -26.029 -1.178 1.00 0.00 N ATOM 33 CA TYR A 3 20.078 -26.753 -0.486 1.00 0.00 C ATOM 34 C TYR A 3 18.793 -25.930 -0.468 1.00 0.00 C ATOM 35 O TYR A 3 17.692 -26.480 -0.438 1.00 0.00 O ATOM 36 CB TYR A 3 20.509 -27.064 0.949 1.00 0.00 C ATOM 37 CG TYR A 3 21.940 -26.629 1.151 1.00 0.00 C ATOM 38 CD1 TYR A 3 22.252 -25.265 1.231 1.00 0.00 C ATOM 39 CD2 TYR A 3 22.955 -27.586 1.258 1.00 0.00 C ATOM 40 CE1 TYR A 3 23.580 -24.861 1.418 1.00 0.00 C ATOM 41 CE2 TYR A 3 24.283 -27.182 1.445 1.00 0.00 C ATOM 42 CZ TYR A 3 24.595 -25.819 1.525 1.00 0.00 C ATOM 43 OH TYR A 3 25.904 -25.421 1.710 1.00 0.00 O ATOM 0 H TYR A 3 21.503 -25.222 -0.672 1.00 0.00 H new ATOM 0 HA TYR A 3 19.891 -27.686 -1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 3 19.858 -26.549 1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 3 20.411 -28.132 1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 3 21.469 -24.526 1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 3 22.714 -28.637 1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 3 23.821 -23.810 1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.066 -27.921 1.527 1.00 0.00 H new ATOM 0 HH TYR A 3 26.481 -26.211 1.765 1.00 0.00 H new ATOM 53 N PHE A 4 18.942 -24.609 -0.490 1.00 0.00 N ATOM 54 CA PHE A 4 17.784 -23.721 -0.476 1.00 0.00 C ATOM 55 C PHE A 4 16.855 -24.032 -1.645 1.00 0.00 C ATOM 56 O PHE A 4 15.642 -23.843 -1.553 1.00 0.00 O ATOM 57 CB PHE A 4 18.244 -22.264 -0.561 1.00 0.00 C ATOM 58 CG PHE A 4 17.051 -21.373 -0.809 1.00 0.00 C ATOM 59 CD1 PHE A 4 15.945 -21.430 0.049 1.00 0.00 C ATOM 60 CD2 PHE A 4 17.049 -20.492 -1.897 1.00 0.00 C ATOM 61 CE1 PHE A 4 14.838 -20.606 -0.182 1.00 0.00 C ATOM 62 CE2 PHE A 4 15.941 -19.668 -2.127 1.00 0.00 C ATOM 63 CZ PHE A 4 14.835 -19.725 -1.269 1.00 0.00 C ATOM 0 H PHE A 4 19.844 -24.133 -0.517 1.00 0.00 H new ATOM 0 HA PHE A 4 17.241 -23.878 0.456 1.00 0.00 H new ATOM 0 HB2 PHE A 4 18.742 -21.974 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.972 -22.147 -1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 4 15.947 -22.110 0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 4 17.902 -20.448 -2.558 1.00 0.00 H new ATOM 0 HE1 PHE A 4 13.985 -20.650 0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.939 -18.988 -2.966 1.00 0.00 H new ATOM 0 HZ PHE A 4 13.980 -19.089 -1.447 1.00 0.00 H new ATOM 73 N TYR A 5 17.432 -24.514 -2.741 1.00 0.00 N ATOM 74 CA TYR A 5 16.644 -24.851 -3.922 1.00 0.00 C ATOM 75 C TYR A 5 16.025 -26.237 -3.773 1.00 0.00 C ATOM 76 O TYR A 5 14.836 -26.426 -4.028 1.00 0.00 O ATOM 77 CB TYR A 5 17.530 -24.817 -5.169 1.00 0.00 C ATOM 78 CG TYR A 5 16.836 -25.537 -6.300 1.00 0.00 C ATOM 79 CD1 TYR A 5 15.857 -24.877 -7.052 1.00 0.00 C ATOM 80 CD2 TYR A 5 17.172 -26.863 -6.597 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.214 -25.544 -8.103 1.00 0.00 C ATOM 82 CE2 TYR A 5 16.530 -27.529 -7.648 1.00 0.00 C ATOM 83 CZ TYR A 5 15.551 -26.869 -8.400 1.00 0.00 C ATOM 84 OH TYR A 5 14.916 -27.526 -9.435 1.00 0.00 O ATOM 0 H TYR A 5 18.434 -24.679 -2.837 1.00 0.00 H new ATOM 0 HA TYR A 5 15.845 -24.117 -4.025 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.737 -23.785 -5.453 1.00 0.00 H new ATOM 0 HB3 TYR A 5 18.490 -25.288 -4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 5 15.597 -23.854 -6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 5 17.926 -27.372 -6.016 1.00 0.00 H new ATOM 0 HE1 TYR A 5 14.459 -25.036 -8.684 1.00 0.00 H new ATOM 0 HE2 TYR A 5 16.790 -28.552 -7.878 1.00 0.00 H new ATOM 0 HH TYR A 5 15.268 -28.438 -9.508 1.00 0.00 H new ATOM 94 N VAL A 6 16.839 -27.201 -3.355 1.00 0.00 N ATOM 95 CA VAL A 6 16.359 -28.565 -3.173 1.00 0.00 C ATOM 96 C VAL A 6 15.246 -28.607 -2.132 1.00 0.00 C ATOM 97 O VAL A 6 14.435 -29.534 -2.114 1.00 0.00 O ATOM 98 CB VAL A 6 17.510 -29.469 -2.729 1.00 0.00 C ATOM 99 CG1 VAL A 6 17.012 -30.910 -2.608 1.00 0.00 C ATOM 100 CG2 VAL A 6 18.636 -29.405 -3.764 1.00 0.00 C ATOM 0 H VAL A 6 17.826 -27.064 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 6 15.964 -28.921 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 6 17.883 -29.132 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.833 -31.553 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 6 16.210 -30.957 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.638 -31.248 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 6 19.457 -30.049 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 6 18.261 -29.742 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 6 18.993 -28.379 -3.851 1.00 0.00 H new ATOM 110 N THR A 7 15.213 -27.600 -1.266 1.00 0.00 N ATOM 111 CA THR A 7 14.193 -27.532 -0.225 1.00 0.00 C ATOM 112 C THR A 7 12.830 -27.219 -0.832 1.00 0.00 C ATOM 113 O THR A 7 11.793 -27.507 -0.235 1.00 0.00 O ATOM 114 CB THR A 7 14.559 -26.454 0.797 1.00 0.00 C ATOM 115 OG1 THR A 7 15.140 -25.345 0.125 1.00 0.00 O ATOM 116 CG2 THR A 7 15.557 -27.022 1.806 1.00 0.00 C ATOM 0 H THR A 7 15.876 -26.825 -1.263 1.00 0.00 H new ATOM 0 HA THR A 7 14.143 -28.500 0.273 1.00 0.00 H new ATOM 0 HB THR A 7 13.660 -26.131 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.782 -25.290 -0.786 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.817 -26.253 2.533 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.110 -27.872 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.457 -27.347 1.284 1.00 0.00 H new ATOM 124 N ASP A 8 12.839 -26.626 -2.021 1.00 0.00 N ATOM 125 CA ASP A 8 11.596 -26.279 -2.699 1.00 0.00 C ATOM 126 C ASP A 8 10.696 -27.499 -2.823 1.00 0.00 C ATOM 127 O ASP A 8 9.482 -27.380 -2.986 1.00 0.00 O ATOM 128 CB ASP A 8 11.893 -25.712 -4.089 1.00 0.00 C ATOM 129 CG ASP A 8 12.674 -24.408 -3.962 1.00 0.00 C ATOM 130 OD1 ASP A 8 13.192 -24.153 -2.889 1.00 0.00 O ATOM 131 OD2 ASP A 8 12.742 -23.683 -4.942 1.00 0.00 O ATOM 0 H ASP A 8 13.686 -26.377 -2.532 1.00 0.00 H new ATOM 0 HA ASP A 8 11.082 -25.523 -2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.466 -26.434 -4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.961 -25.537 -4.627 1.00 0.00 H new ATOM 136 N TYR A 9 11.307 -28.668 -2.742 1.00 0.00 N ATOM 137 CA TYR A 9 10.565 -29.921 -2.844 1.00 0.00 C ATOM 138 C TYR A 9 9.453 -29.972 -1.801 1.00 0.00 C ATOM 139 O TYR A 9 8.357 -30.461 -2.071 1.00 0.00 O ATOM 140 CB TYR A 9 11.512 -31.105 -2.643 1.00 0.00 C ATOM 141 CG TYR A 9 11.009 -32.291 -3.431 1.00 0.00 C ATOM 142 CD1 TYR A 9 11.099 -32.293 -4.829 1.00 0.00 C ATOM 143 CD2 TYR A 9 10.453 -33.389 -2.766 1.00 0.00 C ATOM 144 CE1 TYR A 9 10.635 -33.392 -5.559 1.00 0.00 C ATOM 145 CE2 TYR A 9 9.988 -34.490 -3.496 1.00 0.00 C ATOM 146 CZ TYR A 9 10.079 -34.491 -4.893 1.00 0.00 C ATOM 147 OH TYR A 9 9.620 -35.576 -5.613 1.00 0.00 O ATOM 0 H TYR A 9 12.312 -28.780 -2.606 1.00 0.00 H new ATOM 0 HA TYR A 9 10.118 -29.978 -3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 9 12.518 -30.839 -2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 9 11.575 -31.358 -1.585 1.00 0.00 H new ATOM 0 HD1 TYR A 9 11.527 -31.445 -5.343 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.382 -33.388 -1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 9 10.706 -33.393 -6.637 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.560 -35.338 -2.982 1.00 0.00 H new ATOM 0 HH TYR A 9 9.266 -36.251 -4.997 1.00 0.00 H new ATOM 157 N LEU A 10 9.744 -29.466 -0.606 1.00 0.00 N ATOM 158 CA LEU A 10 8.759 -29.462 0.470 1.00 0.00 C ATOM 159 C LEU A 10 8.364 -28.032 0.832 1.00 0.00 C ATOM 160 O LEU A 10 8.093 -27.729 1.995 1.00 0.00 O ATOM 161 CB LEU A 10 9.329 -30.166 1.704 1.00 0.00 C ATOM 162 CG LEU A 10 10.758 -29.681 1.957 1.00 0.00 C ATOM 163 CD1 LEU A 10 10.915 -29.298 3.429 1.00 0.00 C ATOM 164 CD2 LEU A 10 11.746 -30.801 1.617 1.00 0.00 C ATOM 0 H LEU A 10 10.645 -29.057 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 10 7.872 -29.995 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.705 -29.960 2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.322 -31.246 1.555 1.00 0.00 H new ATOM 0 HG LEU A 10 10.961 -28.812 1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.933 -28.953 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.213 -28.501 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.711 -30.167 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.764 -30.455 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.541 -31.669 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.637 -31.076 0.568 1.00 0.00 H new ATOM 176 N ASP A 11 8.330 -27.159 -0.170 1.00 0.00 N ATOM 177 CA ASP A 11 7.963 -25.767 0.053 1.00 0.00 C ATOM 178 C ASP A 11 7.007 -25.289 -1.034 1.00 0.00 C ATOM 179 O ASP A 11 7.287 -25.419 -2.226 1.00 0.00 O ATOM 180 CB ASP A 11 9.217 -24.890 0.058 1.00 0.00 C ATOM 181 CG ASP A 11 9.290 -24.089 1.354 1.00 0.00 C ATOM 182 OD1 ASP A 11 9.721 -24.646 2.349 1.00 0.00 O ATOM 183 OD2 ASP A 11 8.912 -22.929 1.331 1.00 0.00 O ATOM 0 H ASP A 11 8.551 -27.390 -1.139 1.00 0.00 H new ATOM 0 HA ASP A 11 7.465 -25.690 1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.106 -25.512 -0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.201 -24.214 -0.797 1.00 0.00 H new ATOM 188 N VAL A 12 5.877 -24.735 -0.611 1.00 0.00 N ATOM 189 CA VAL A 12 4.880 -24.236 -1.551 1.00 0.00 C ATOM 190 C VAL A 12 5.542 -23.422 -2.659 1.00 0.00 C ATOM 191 O VAL A 12 6.614 -22.846 -2.465 1.00 0.00 O ATOM 192 CB VAL A 12 3.860 -23.365 -0.816 1.00 0.00 C ATOM 193 CG1 VAL A 12 2.674 -24.226 -0.376 1.00 0.00 C ATOM 194 CG2 VAL A 12 4.517 -22.739 0.416 1.00 0.00 C ATOM 0 H VAL A 12 5.629 -24.620 0.372 1.00 0.00 H new ATOM 0 HA VAL A 12 4.374 -25.091 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 12 3.510 -22.577 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.948 -23.604 0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.204 -24.673 -1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.024 -25.014 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.790 -22.118 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.868 -23.528 1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.362 -22.125 0.105 1.00 0.00 H new ATOM 204 N PRO A 13 4.925 -23.369 -3.808 1.00 0.00 N ATOM 205 CA PRO A 13 5.458 -22.612 -4.979 1.00 0.00 C ATOM 206 C PRO A 13 5.467 -21.105 -4.734 1.00 0.00 C ATOM 207 O PRO A 13 4.662 -20.584 -3.962 1.00 0.00 O ATOM 208 CB PRO A 13 4.505 -22.974 -6.122 1.00 0.00 C ATOM 209 CG PRO A 13 3.247 -23.441 -5.468 1.00 0.00 C ATOM 210 CD PRO A 13 3.648 -24.029 -4.116 1.00 0.00 C ATOM 0 HA PRO A 13 6.495 -22.872 -5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.317 -22.112 -6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.930 -23.754 -6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.548 -22.615 -5.339 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.746 -24.189 -6.082 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.898 -23.823 -3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.760 -25.112 -4.169 1.00 0.00 H new ATOM 218 N SER A 14 6.386 -20.410 -5.398 1.00 0.00 N ATOM 219 CA SER A 14 6.497 -18.963 -5.249 1.00 0.00 C ATOM 220 C SER A 14 5.235 -18.272 -5.747 1.00 0.00 C ATOM 221 O SER A 14 5.035 -17.077 -5.515 1.00 0.00 O ATOM 222 CB SER A 14 7.709 -18.445 -6.023 1.00 0.00 C ATOM 223 OG SER A 14 8.900 -18.900 -5.393 1.00 0.00 O ATOM 0 H SER A 14 7.061 -20.823 -6.041 1.00 0.00 H new ATOM 0 HA SER A 14 6.624 -18.738 -4.190 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.673 -18.796 -7.054 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.695 -17.356 -6.056 1.00 0.00 H new ATOM 0 HG SER A 14 9.679 -18.571 -5.889 1.00 0.00 H new ATOM 229 N ASN A 15 4.383 -19.025 -6.430 1.00 0.00 N ATOM 230 CA ASN A 15 3.146 -18.460 -6.947 1.00 0.00 C ATOM 231 C ASN A 15 2.365 -17.818 -5.810 1.00 0.00 C ATOM 232 O ASN A 15 1.651 -16.835 -6.009 1.00 0.00 O ATOM 233 CB ASN A 15 2.302 -19.555 -7.601 1.00 0.00 C ATOM 234 CG ASN A 15 1.604 -19.005 -8.841 1.00 0.00 C ATOM 235 OD1 ASN A 15 1.458 -17.792 -8.986 1.00 0.00 O ATOM 236 ND2 ASN A 15 1.162 -19.832 -9.749 1.00 0.00 N ATOM 0 H ASN A 15 4.523 -20.014 -6.636 1.00 0.00 H new ATOM 0 HA ASN A 15 3.384 -17.704 -7.695 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.935 -20.399 -7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.562 -19.928 -6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.694 -19.473 -10.581 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.284 -20.837 -9.626 1.00 0.00 H new ATOM 243 N ILE A 16 2.519 -18.370 -4.610 1.00 0.00 N ATOM 244 CA ILE A 16 1.836 -17.826 -3.443 1.00 0.00 C ATOM 245 C ILE A 16 2.555 -16.582 -2.957 1.00 0.00 C ATOM 246 O ILE A 16 2.010 -15.778 -2.203 1.00 0.00 O ATOM 247 CB ILE A 16 1.776 -18.869 -2.325 1.00 0.00 C ATOM 248 CG1 ILE A 16 0.716 -19.919 -2.669 1.00 0.00 C ATOM 249 CG2 ILE A 16 1.407 -18.186 -1.008 1.00 0.00 C ATOM 250 CD1 ILE A 16 1.276 -21.316 -2.401 1.00 0.00 C ATOM 0 H ILE A 16 3.104 -19.184 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 16 0.817 -17.561 -3.725 1.00 0.00 H new ATOM 0 HB ILE A 16 2.749 -19.350 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.181 -19.755 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.424 -19.827 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.364 -18.929 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.159 -17.436 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.434 -17.705 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.521 -22.064 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.160 -21.478 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.546 -21.404 -1.349 1.00 0.00 H new ATOM 262 N ALA A 17 3.782 -16.445 -3.409 1.00 0.00 N ATOM 263 CA ALA A 17 4.616 -15.304 -3.048 1.00 0.00 C ATOM 264 C ALA A 17 4.186 -14.061 -3.817 1.00 0.00 C ATOM 265 O ALA A 17 4.329 -12.936 -3.339 1.00 0.00 O ATOM 266 CB ALA A 17 6.076 -15.615 -3.370 1.00 0.00 C ATOM 0 H ALA A 17 4.234 -17.113 -4.034 1.00 0.00 H new ATOM 0 HA ALA A 17 4.503 -15.116 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.698 -14.762 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.395 -16.490 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.179 -15.816 -4.436 1.00 0.00 H new ATOM 272 N LYS A 18 3.655 -14.283 -5.012 1.00 0.00 N ATOM 273 CA LYS A 18 3.197 -13.192 -5.861 1.00 0.00 C ATOM 274 C LYS A 18 1.737 -12.910 -5.579 1.00 0.00 C ATOM 275 O LYS A 18 1.273 -11.773 -5.670 1.00 0.00 O ATOM 276 CB LYS A 18 3.382 -13.555 -7.335 1.00 0.00 C ATOM 277 CG LYS A 18 2.993 -12.362 -8.210 1.00 0.00 C ATOM 278 CD LYS A 18 2.950 -12.795 -9.676 1.00 0.00 C ATOM 279 CE LYS A 18 3.452 -11.653 -10.561 1.00 0.00 C ATOM 280 NZ LYS A 18 3.652 -12.152 -11.950 1.00 0.00 N ATOM 0 H LYS A 18 3.531 -15.211 -5.416 1.00 0.00 H new ATOM 0 HA LYS A 18 3.786 -12.301 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.418 -13.835 -7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.768 -14.419 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.020 -11.976 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.712 -11.553 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.568 -13.681 -9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.932 -13.066 -9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.734 -10.833 -10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.388 -11.258 -10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.993 -11.376 -12.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.353 -12.920 -11.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.750 -12.509 -12.324 1.00 0.00 H new ATOM 294 N ILE A 19 1.023 -13.963 -5.218 1.00 0.00 N ATOM 295 CA ILE A 19 -0.388 -13.842 -4.899 1.00 0.00 C ATOM 296 C ILE A 19 -0.530 -13.261 -3.504 1.00 0.00 C ATOM 297 O ILE A 19 -1.580 -12.731 -3.141 1.00 0.00 O ATOM 298 CB ILE A 19 -1.059 -15.215 -4.955 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.449 -15.539 -6.401 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.311 -15.211 -4.076 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.449 -14.499 -6.916 1.00 0.00 C ATOM 0 H ILE A 19 1.397 -14.909 -5.139 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.869 -13.187 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.363 -15.971 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.561 -15.547 -7.033 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.887 -16.536 -6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.788 -16.190 -4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.032 -14.986 -3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.007 -14.453 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.722 -14.735 -7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.342 -14.512 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.995 -13.509 -6.879 1.00 0.00 H new ATOM 313 N ILE A 20 0.543 -13.364 -2.728 1.00 0.00 N ATOM 314 CA ILE A 20 0.530 -12.836 -1.364 1.00 0.00 C ATOM 315 C ILE A 20 1.172 -11.451 -1.313 1.00 0.00 C ATOM 316 O ILE A 20 0.875 -10.654 -0.424 1.00 0.00 O ATOM 317 CB ILE A 20 1.274 -13.775 -0.416 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.996 -13.360 1.031 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.775 -13.686 -0.688 1.00 0.00 C ATOM 320 CD1 ILE A 20 -0.502 -13.463 1.315 1.00 0.00 C ATOM 0 H ILE A 20 1.420 -13.800 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.510 -12.758 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 20 0.934 -14.798 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.551 -14.000 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.339 -12.339 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.308 -14.355 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.976 -13.976 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.114 -12.663 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.698 -13.167 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.047 -12.804 0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.831 -14.491 1.164 1.00 0.00 H new ATOM 332 N ILE A 21 2.050 -11.172 -2.270 1.00 0.00 N ATOM 333 CA ILE A 21 2.725 -9.878 -2.319 1.00 0.00 C ATOM 334 C ILE A 21 1.937 -8.893 -3.177 1.00 0.00 C ATOM 335 O ILE A 21 1.773 -7.729 -2.811 1.00 0.00 O ATOM 336 CB ILE A 21 4.132 -10.044 -2.892 1.00 0.00 C ATOM 337 CG1 ILE A 21 5.035 -10.702 -1.845 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.697 -8.669 -3.259 1.00 0.00 C ATOM 339 CD1 ILE A 21 6.431 -10.918 -2.433 1.00 0.00 C ATOM 0 H ILE A 21 2.310 -11.817 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 21 2.790 -9.486 -1.304 1.00 0.00 H new ATOM 0 HB ILE A 21 4.091 -10.671 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.097 -10.073 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.610 -11.656 -1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.701 -8.785 -3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.054 -8.198 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.739 -8.043 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.072 -11.386 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.361 -11.564 -3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.856 -9.957 -2.724 1.00 0.00 H new ATOM 351 N GLY A 22 1.454 -9.369 -4.320 1.00 0.00 N ATOM 352 CA GLY A 22 0.684 -8.522 -5.225 1.00 0.00 C ATOM 353 C GLY A 22 -0.350 -7.705 -4.460 1.00 0.00 C ATOM 354 O GLY A 22 -0.450 -6.490 -4.634 1.00 0.00 O ATOM 0 H GLY A 22 1.580 -10.329 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.356 -7.853 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.185 -9.140 -5.971 1.00 0.00 H new ATOM 358 N PRO A 23 -1.114 -8.349 -3.620 1.00 0.00 N ATOM 359 CA PRO A 23 -2.166 -7.674 -2.805 1.00 0.00 C ATOM 360 C PRO A 23 -1.606 -6.492 -2.020 1.00 0.00 C ATOM 361 O PRO A 23 -2.271 -5.468 -1.867 1.00 0.00 O ATOM 362 CB PRO A 23 -2.662 -8.771 -1.859 1.00 0.00 C ATOM 363 CG PRO A 23 -2.315 -10.060 -2.528 1.00 0.00 C ATOM 364 CD PRO A 23 -1.060 -9.795 -3.358 1.00 0.00 C ATOM 0 HA PRO A 23 -2.959 -7.257 -3.426 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.183 -8.694 -0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.736 -8.691 -1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.135 -10.843 -1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.134 -10.401 -3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.156 -10.070 -2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.063 -10.370 -4.284 1.00 0.00 H new ATOM 372 N LEU A 24 -0.377 -6.636 -1.533 1.00 0.00 N ATOM 373 CA LEU A 24 0.256 -5.564 -0.775 1.00 0.00 C ATOM 374 C LEU A 24 0.785 -4.499 -1.720 1.00 0.00 C ATOM 375 O LEU A 24 0.687 -3.304 -1.446 1.00 0.00 O ATOM 376 CB LEU A 24 1.400 -6.119 0.077 1.00 0.00 C ATOM 377 CG LEU A 24 1.610 -5.222 1.299 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.420 -5.366 2.252 1.00 0.00 C ATOM 379 CD2 LEU A 24 2.896 -5.637 2.020 1.00 0.00 C ATOM 0 H LEU A 24 0.194 -7.474 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.488 -5.117 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.170 -7.136 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.316 -6.168 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 24 1.692 -4.184 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.571 -4.727 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.495 -5.070 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.336 -6.404 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.047 -4.999 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.814 -6.675 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.743 -5.532 1.342 1.00 0.00 H new ATOM 391 N ILE A 25 1.323 -4.939 -2.847 1.00 0.00 N ATOM 392 CA ILE A 25 1.835 -4.011 -3.838 1.00 0.00 C ATOM 393 C ILE A 25 0.771 -2.964 -4.138 1.00 0.00 C ATOM 394 O ILE A 25 1.079 -1.814 -4.446 1.00 0.00 O ATOM 395 CB ILE A 25 2.212 -4.764 -5.118 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.678 -5.197 -5.035 1.00 0.00 C ATOM 397 CG2 ILE A 25 2.020 -3.852 -6.333 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.039 -6.023 -6.271 1.00 0.00 C ATOM 0 H ILE A 25 1.415 -5.924 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 25 2.728 -3.520 -3.451 1.00 0.00 H new ATOM 0 HB ILE A 25 1.573 -5.641 -5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.323 -4.321 -4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.844 -5.784 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.290 -4.393 -7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.977 -3.540 -6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.656 -2.973 -6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.083 -6.331 -6.211 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.402 -6.907 -6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.889 -5.421 -7.167 1.00 0.00 H new ATOM 410 N PHE A 26 -0.489 -3.384 -4.053 1.00 0.00 N ATOM 411 CA PHE A 26 -1.608 -2.488 -4.324 1.00 0.00 C ATOM 412 C PHE A 26 -1.567 -1.264 -3.412 1.00 0.00 C ATOM 413 O PHE A 26 -1.654 -0.129 -3.881 1.00 0.00 O ATOM 414 CB PHE A 26 -2.926 -3.235 -4.116 1.00 0.00 C ATOM 415 CG PHE A 26 -4.042 -2.502 -4.820 1.00 0.00 C ATOM 416 CD1 PHE A 26 -4.559 -1.323 -4.271 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.561 -3.003 -6.019 1.00 0.00 C ATOM 418 CE1 PHE A 26 -5.596 -0.644 -4.922 1.00 0.00 C ATOM 419 CE2 PHE A 26 -5.598 -2.324 -6.670 1.00 0.00 C ATOM 420 CZ PHE A 26 -6.115 -1.145 -6.122 1.00 0.00 C ATOM 0 H PHE A 26 -0.759 -4.334 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.532 -2.150 -5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.844 -4.251 -4.503 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.146 -3.316 -3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.158 -0.937 -3.345 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.162 -3.913 -6.442 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.995 0.266 -4.499 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.999 -2.710 -7.595 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.915 -0.621 -6.625 1.00 0.00 H new ATOM 430 N VAL A 27 -1.436 -1.497 -2.109 1.00 0.00 N ATOM 431 CA VAL A 27 -1.387 -0.396 -1.151 1.00 0.00 C ATOM 432 C VAL A 27 -0.060 0.348 -1.249 1.00 0.00 C ATOM 433 O VAL A 27 0.001 1.558 -1.040 1.00 0.00 O ATOM 434 CB VAL A 27 -1.581 -0.919 0.273 1.00 0.00 C ATOM 435 CG1 VAL A 27 -3.057 -1.256 0.497 1.00 0.00 C ATOM 436 CG2 VAL A 27 -0.737 -2.179 0.475 1.00 0.00 C ATOM 0 H VAL A 27 -1.363 -2.427 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.195 0.296 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.269 -0.154 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.195 -1.629 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.661 -0.360 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.368 -2.020 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.876 -2.551 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.048 -2.943 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.315 -1.942 0.316 1.00 0.00 H new ATOM 446 N PHE A 28 1.003 -0.384 -1.567 1.00 0.00 N ATOM 447 CA PHE A 28 2.325 0.220 -1.688 1.00 0.00 C ATOM 448 C PHE A 28 2.358 1.199 -2.856 1.00 0.00 C ATOM 449 O PHE A 28 2.955 2.270 -2.765 1.00 0.00 O ATOM 450 CB PHE A 28 3.381 -0.866 -1.901 1.00 0.00 C ATOM 451 CG PHE A 28 4.699 -0.403 -1.328 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.524 0.453 -2.069 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.096 -0.828 -0.055 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.745 0.882 -1.537 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.316 -0.398 0.478 1.00 0.00 C ATOM 456 CZ PHE A 28 7.142 0.457 -0.264 1.00 0.00 C ATOM 0 H PHE A 28 0.976 -1.388 -1.744 1.00 0.00 H new ATOM 0 HA PHE A 28 2.543 0.760 -0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.068 -1.792 -1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.489 -1.080 -2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.218 0.782 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.460 -1.488 0.516 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.381 1.541 -2.109 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.621 -0.725 1.461 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.085 0.788 0.146 1.00 0.00 H new ATOM 466 N LEU A 29 1.708 0.822 -3.951 1.00 0.00 N ATOM 467 CA LEU A 29 1.665 1.675 -5.131 1.00 0.00 C ATOM 468 C LEU A 29 0.740 2.861 -4.888 1.00 0.00 C ATOM 469 O LEU A 29 0.989 3.966 -5.369 1.00 0.00 O ATOM 470 CB LEU A 29 1.172 0.877 -6.338 1.00 0.00 C ATOM 471 CG LEU A 29 0.897 1.831 -7.501 1.00 0.00 C ATOM 472 CD1 LEU A 29 1.443 1.231 -8.798 1.00 0.00 C ATOM 473 CD2 LEU A 29 -0.611 2.047 -7.636 1.00 0.00 C ATOM 0 H LEU A 29 1.207 -0.062 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 29 2.671 2.043 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.919 0.138 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.265 0.330 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 29 1.387 2.786 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.246 1.913 -9.625 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.518 1.077 -8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.955 0.276 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.808 2.727 -8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.100 1.092 -7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.001 2.477 -6.713 1.00 0.00 H new ATOM 485 N PHE A 30 -0.324 2.621 -4.130 1.00 0.00 N ATOM 486 CA PHE A 30 -1.280 3.675 -3.816 1.00 0.00 C ATOM 487 C PHE A 30 -0.649 4.694 -2.874 1.00 0.00 C ATOM 488 O PHE A 30 -0.821 5.902 -3.043 1.00 0.00 O ATOM 489 CB PHE A 30 -2.526 3.070 -3.160 1.00 0.00 C ATOM 490 CG PHE A 30 -3.757 3.444 -3.953 1.00 0.00 C ATOM 491 CD1 PHE A 30 -4.031 2.797 -5.163 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.623 4.435 -3.476 1.00 0.00 C ATOM 493 CE1 PHE A 30 -5.172 3.143 -5.898 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.764 4.780 -4.211 1.00 0.00 C ATOM 495 CZ PHE A 30 -6.038 4.134 -5.422 1.00 0.00 C ATOM 0 H PHE A 30 -0.545 1.712 -3.724 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.566 4.176 -4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.431 1.985 -3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.619 3.430 -2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.363 2.032 -5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.411 4.933 -2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.384 2.645 -6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.432 5.544 -3.843 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.918 4.400 -5.989 1.00 0.00 H new ATOM 505 N SER A 31 0.085 4.196 -1.885 1.00 0.00 N ATOM 506 CA SER A 31 0.745 5.068 -0.920 1.00 0.00 C ATOM 507 C SER A 31 1.864 5.853 -1.588 1.00 0.00 C ATOM 508 O SER A 31 2.041 7.045 -1.339 1.00 0.00 O ATOM 509 CB SER A 31 1.315 4.238 0.231 1.00 0.00 C ATOM 510 OG SER A 31 1.651 5.101 1.310 1.00 0.00 O ATOM 0 H SER A 31 0.238 3.199 -1.731 1.00 0.00 H new ATOM 0 HA SER A 31 0.008 5.770 -0.529 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.585 3.497 0.557 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.198 3.692 -0.101 1.00 0.00 H new ATOM 0 HG SER A 31 2.015 4.572 2.050 1.00 0.00 H new ATOM 516 N VAL A 32 2.612 5.170 -2.439 1.00 0.00 N ATOM 517 CA VAL A 32 3.717 5.800 -3.151 1.00 0.00 C ATOM 518 C VAL A 32 3.201 6.914 -4.053 1.00 0.00 C ATOM 519 O VAL A 32 3.855 7.944 -4.221 1.00 0.00 O ATOM 520 CB VAL A 32 4.457 4.758 -3.991 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.336 5.466 -5.023 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.335 3.897 -3.078 1.00 0.00 C ATOM 0 H VAL A 32 2.477 4.182 -2.655 1.00 0.00 H new ATOM 0 HA VAL A 32 4.403 6.228 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 32 3.734 4.124 -4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.864 4.724 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.712 6.080 -5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.060 6.100 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.863 3.154 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.059 4.531 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.709 3.392 -2.342 1.00 0.00 H new ATOM 532 N VAL A 33 2.023 6.702 -4.630 1.00 0.00 N ATOM 533 CA VAL A 33 1.424 7.696 -5.513 1.00 0.00 C ATOM 534 C VAL A 33 0.961 8.908 -4.712 1.00 0.00 C ATOM 535 O VAL A 33 1.274 10.049 -5.055 1.00 0.00 O ATOM 536 CB VAL A 33 0.234 7.086 -6.254 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.700 8.201 -6.724 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.739 6.299 -7.466 1.00 0.00 C ATOM 0 H VAL A 33 1.467 5.856 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 33 2.175 8.016 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.307 6.417 -5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.549 7.766 -7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.059 8.763 -5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.160 8.870 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.108 5.863 -7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.280 6.968 -8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.406 5.504 -7.132 1.00 0.00 H new ATOM 548 N ILE A 34 0.215 8.653 -3.642 1.00 0.00 N ATOM 549 CA ILE A 34 -0.285 9.729 -2.795 1.00 0.00 C ATOM 550 C ILE A 34 0.868 10.454 -2.119 1.00 0.00 C ATOM 551 O ILE A 34 0.730 11.595 -1.677 1.00 0.00 O ATOM 552 CB ILE A 34 -1.226 9.161 -1.733 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.527 8.705 -2.399 1.00 0.00 C ATOM 554 CG2 ILE A 34 -1.535 10.238 -0.693 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.159 7.584 -1.572 1.00 0.00 C ATOM 0 H ILE A 34 -0.055 7.716 -3.342 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.829 10.437 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.750 8.312 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.218 9.544 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.326 8.355 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.206 9.831 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.609 10.563 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.011 11.089 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.085 7.260 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.468 6.743 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.374 7.950 -0.568 1.00 0.00 H new ATOM 567 N GLY A 35 2.002 9.777 -2.039 1.00 0.00 N ATOM 568 CA GLY A 35 3.184 10.348 -1.408 1.00 0.00 C ATOM 569 C GLY A 35 3.855 11.378 -2.299 1.00 0.00 C ATOM 570 O GLY A 35 4.031 12.533 -1.911 1.00 0.00 O ATOM 0 H GLY A 35 2.130 8.833 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.903 10.812 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.892 9.553 -1.175 1.00 0.00 H new ATOM 574 N SER A 36 4.221 10.951 -3.499 1.00 0.00 N ATOM 575 CA SER A 36 4.864 11.846 -4.444 1.00 0.00 C ATOM 576 C SER A 36 3.862 12.886 -4.896 1.00 0.00 C ATOM 577 O SER A 36 4.224 13.993 -5.295 1.00 0.00 O ATOM 578 CB SER A 36 5.379 11.062 -5.651 1.00 0.00 C ATOM 579 OG SER A 36 6.147 11.927 -6.479 1.00 0.00 O ATOM 0 H SER A 36 4.084 9.998 -3.837 1.00 0.00 H new ATOM 0 HA SER A 36 5.711 12.334 -3.962 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.988 10.221 -5.320 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.543 10.648 -6.214 1.00 0.00 H new ATOM 0 HG SER A 36 6.480 11.428 -7.253 1.00 0.00 H new ATOM 585 N ILE A 37 2.594 12.512 -4.822 1.00 0.00 N ATOM 586 CA ILE A 37 1.523 13.417 -5.219 1.00 0.00 C ATOM 587 C ILE A 37 1.327 14.496 -4.162 1.00 0.00 C ATOM 588 O ILE A 37 1.084 15.659 -4.482 1.00 0.00 O ATOM 589 CB ILE A 37 0.223 12.642 -5.418 1.00 0.00 C ATOM 590 CG1 ILE A 37 0.264 11.914 -6.765 1.00 0.00 C ATOM 591 CG2 ILE A 37 -0.962 13.611 -5.397 1.00 0.00 C ATOM 592 CD1 ILE A 37 -0.074 12.893 -7.892 1.00 0.00 C ATOM 0 H ILE A 37 2.282 11.598 -4.494 1.00 0.00 H new ATOM 0 HA ILE A 37 1.799 13.891 -6.161 1.00 0.00 H new ATOM 0 HB ILE A 37 0.109 11.915 -4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.253 11.485 -6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.446 11.087 -6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.889 13.055 -5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.992 14.128 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.850 14.341 -6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.044 12.371 -8.849 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.072 13.301 -7.733 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.653 13.705 -7.899 1.00 0.00 H new ATOM 604 N TYR A 38 1.439 14.100 -2.897 1.00 0.00 N ATOM 605 CA TYR A 38 1.275 15.043 -1.797 1.00 0.00 C ATOM 606 C TYR A 38 2.245 16.210 -1.947 1.00 0.00 C ATOM 607 O TYR A 38 1.861 17.371 -1.801 1.00 0.00 O ATOM 608 CB TYR A 38 1.524 14.340 -0.460 1.00 0.00 C ATOM 609 CG TYR A 38 0.204 14.089 0.230 1.00 0.00 C ATOM 610 CD1 TYR A 38 -0.859 13.522 -0.482 1.00 0.00 C ATOM 611 CD2 TYR A 38 0.046 14.422 1.580 1.00 0.00 C ATOM 612 CE1 TYR A 38 -2.084 13.291 0.157 1.00 0.00 C ATOM 613 CE2 TYR A 38 -1.178 14.190 2.219 1.00 0.00 C ATOM 614 CZ TYR A 38 -2.243 13.624 1.507 1.00 0.00 C ATOM 615 OH TYR A 38 -3.451 13.395 2.135 1.00 0.00 O ATOM 0 H TYR A 38 1.641 13.142 -2.611 1.00 0.00 H new ATOM 0 HA TYR A 38 0.254 15.425 -1.820 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.046 13.397 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.166 14.954 0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.735 13.263 -1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.868 14.858 2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.906 12.856 -0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.301 14.447 3.261 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.393 13.681 3.070 1.00 0.00 H new ATOM 625 N LEU A 39 3.502 15.895 -2.244 1.00 0.00 N ATOM 626 CA LEU A 39 4.515 16.930 -2.415 1.00 0.00 C ATOM 627 C LEU A 39 3.962 18.074 -3.258 1.00 0.00 C ATOM 628 O LEU A 39 4.377 19.224 -3.111 1.00 0.00 O ATOM 629 CB LEU A 39 5.754 16.344 -3.095 1.00 0.00 C ATOM 630 CG LEU A 39 7.013 16.864 -2.401 1.00 0.00 C ATOM 631 CD1 LEU A 39 8.246 16.204 -3.020 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.103 18.381 -2.581 1.00 0.00 C ATOM 0 H LEU A 39 3.841 14.941 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 39 4.791 17.312 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.725 15.255 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.767 16.620 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 39 6.968 16.625 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.144 16.575 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.182 15.123 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.292 16.443 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.000 18.753 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.149 18.619 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.224 18.852 -2.141 1.00 0.00 H new ATOM 644 N PHE A 40 3.022 17.749 -4.139 1.00 0.00 N ATOM 645 CA PHE A 40 2.414 18.756 -5.000 1.00 0.00 C ATOM 646 C PHE A 40 1.597 19.739 -4.169 1.00 0.00 C ATOM 647 O PHE A 40 1.672 20.951 -4.371 1.00 0.00 O ATOM 648 CB PHE A 40 1.509 18.083 -6.034 1.00 0.00 C ATOM 649 CG PHE A 40 1.340 18.996 -7.224 1.00 0.00 C ATOM 650 CD1 PHE A 40 2.451 19.352 -7.996 1.00 0.00 C ATOM 651 CD2 PHE A 40 0.071 19.486 -7.556 1.00 0.00 C ATOM 652 CE1 PHE A 40 2.295 20.199 -9.100 1.00 0.00 C ATOM 653 CE2 PHE A 40 -0.086 20.333 -8.659 1.00 0.00 C ATOM 654 CZ PHE A 40 1.026 20.690 -9.431 1.00 0.00 C ATOM 0 H PHE A 40 2.667 16.803 -4.275 1.00 0.00 H new ATOM 0 HA PHE A 40 3.207 19.299 -5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.942 17.134 -6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.538 17.860 -5.593 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.430 18.973 -7.740 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.787 19.210 -6.961 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.153 20.473 -9.696 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.065 20.711 -8.915 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.905 21.344 -10.282 1.00 0.00 H new ATOM 664 N LEU A 41 0.819 19.207 -3.231 1.00 0.00 N ATOM 665 CA LEU A 41 -0.007 20.046 -2.371 1.00 0.00 C ATOM 666 C LEU A 41 0.866 20.915 -1.479 1.00 0.00 C ATOM 667 O LEU A 41 0.390 21.858 -0.848 1.00 0.00 O ATOM 668 CB LEU A 41 -0.925 19.177 -1.510 1.00 0.00 C ATOM 669 CG LEU A 41 -1.675 18.187 -2.404 1.00 0.00 C ATOM 670 CD1 LEU A 41 -2.459 17.205 -1.532 1.00 0.00 C ATOM 671 CD2 LEU A 41 -2.645 18.952 -3.308 1.00 0.00 C ATOM 0 H LEU A 41 0.744 18.206 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.617 20.692 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.340 18.639 -0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.634 19.803 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.961 17.638 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.993 16.500 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.769 16.661 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.174 17.754 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.180 18.248 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.359 19.500 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.087 19.653 -3.929 1.00 0.00 H new ATOM 683 N ARG A 42 2.144 20.585 -1.438 1.00 0.00 N ATOM 684 CA ARG A 42 3.096 21.332 -0.625 1.00 0.00 C ATOM 685 C ARG A 42 3.413 22.675 -1.274 1.00 0.00 C ATOM 686 O ARG A 42 4.132 23.497 -0.707 1.00 0.00 O ATOM 687 CB ARG A 42 4.388 20.527 -0.458 1.00 0.00 C ATOM 688 CG ARG A 42 5.118 20.987 0.805 1.00 0.00 C ATOM 689 CD ARG A 42 4.650 20.152 1.997 1.00 0.00 C ATOM 690 NE ARG A 42 5.497 18.976 2.154 1.00 0.00 N ATOM 691 CZ ARG A 42 5.497 18.275 3.283 1.00 0.00 C ATOM 692 NH1 ARG A 42 4.731 18.637 4.276 1.00 0.00 N ATOM 693 NH2 ARG A 42 6.261 17.222 3.399 1.00 0.00 N ATOM 0 H ARG A 42 2.550 19.806 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 42 2.650 21.508 0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.160 19.463 -0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.028 20.662 -1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.195 20.882 0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.921 22.043 0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.679 20.754 2.905 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.614 19.846 1.851 1.00 0.00 H new ATOM 0 HE ARG A 42 6.100 18.686 1.384 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.132 19.458 4.185 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.731 18.099 5.143 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.858 16.937 2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.260 16.685 4.266 1.00 0.00 H new ATOM 707 N LYS A 43 2.869 22.890 -2.467 1.00 0.00 N ATOM 708 CA LYS A 43 3.100 24.137 -3.188 1.00 0.00 C ATOM 709 C LYS A 43 2.048 25.175 -2.809 1.00 0.00 C ATOM 710 O LYS A 43 2.015 26.271 -3.368 1.00 0.00 O ATOM 711 CB LYS A 43 3.049 23.886 -4.697 1.00 0.00 C ATOM 712 CG LYS A 43 4.301 23.120 -5.130 1.00 0.00 C ATOM 713 CD LYS A 43 5.356 24.107 -5.633 1.00 0.00 C ATOM 714 CE LYS A 43 6.559 23.337 -6.181 1.00 0.00 C ATOM 715 NZ LYS A 43 7.804 24.117 -5.933 1.00 0.00 N ATOM 0 H LYS A 43 2.269 22.223 -2.952 1.00 0.00 H new ATOM 0 HA LYS A 43 4.085 24.515 -2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.155 23.316 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.986 24.834 -5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.696 22.545 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.050 22.408 -5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.933 24.742 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.670 24.764 -4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.628 22.360 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.435 23.160 -7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.622 23.593 -6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.737 25.039 -6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.924 24.264 -4.910 1.00 0.00 H new ATOM 729 N ARG A 44 1.192 24.822 -1.856 1.00 0.00 N ATOM 730 CA ARG A 44 0.143 25.732 -1.410 1.00 0.00 C ATOM 731 C ARG A 44 -0.191 25.486 0.057 1.00 0.00 C ATOM 732 O ARG A 44 -0.113 24.357 0.542 1.00 0.00 O ATOM 733 CB ARG A 44 -1.115 25.539 -2.261 1.00 0.00 C ATOM 734 CG ARG A 44 -1.050 24.184 -2.970 1.00 0.00 C ATOM 735 CD ARG A 44 -2.380 23.914 -3.673 1.00 0.00 C ATOM 736 NE ARG A 44 -2.519 24.776 -4.842 1.00 0.00 N ATOM 737 CZ ARG A 44 -3.396 24.498 -5.800 1.00 0.00 C ATOM 738 NH1 ARG A 44 -4.151 23.438 -5.708 1.00 0.00 N ATOM 739 NH2 ARG A 44 -3.501 25.285 -6.834 1.00 0.00 N ATOM 0 H ARG A 44 1.203 23.920 -1.381 1.00 0.00 H new ATOM 0 HA ARG A 44 0.504 26.754 -1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.004 25.590 -1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.197 26.341 -2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.236 24.179 -3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.840 23.394 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.434 22.868 -3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.206 24.089 -2.983 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.933 25.606 -4.925 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.068 22.822 -4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.824 23.226 -6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.910 26.113 -6.907 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.174 25.073 -7.570 1.00 0.00 H new ATOM 753 N GLN A 45 -0.563 26.551 0.761 1.00 0.00 N ATOM 754 CA GLN A 45 -0.905 26.439 2.173 1.00 0.00 C ATOM 755 C GLN A 45 -2.186 27.210 2.479 1.00 0.00 C ATOM 756 O GLN A 45 -2.150 28.286 3.075 1.00 0.00 O ATOM 757 CB GLN A 45 0.239 26.984 3.030 1.00 0.00 C ATOM 758 CG GLN A 45 1.438 26.036 2.947 1.00 0.00 C ATOM 759 CD GLN A 45 1.856 25.597 4.346 1.00 0.00 C ATOM 760 OE1 GLN A 45 1.567 24.473 4.758 1.00 0.00 O ATOM 761 NE2 GLN A 45 2.522 26.421 5.107 1.00 0.00 N ATOM 0 H GLN A 45 -0.635 27.494 0.379 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.066 25.387 2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.524 27.978 2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.086 27.087 4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.181 25.164 2.345 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.271 26.533 2.449 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.761 27.352 4.765 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.804 26.135 6.044 1.00 0.00 H new ATOM 770 N PRO A 46 -3.307 26.676 2.079 1.00 0.00 N ATOM 771 CA PRO A 46 -4.634 27.314 2.305 1.00 0.00 C ATOM 772 C PRO A 46 -5.125 27.131 3.739 1.00 0.00 C ATOM 773 O PRO A 46 -6.329 27.078 3.988 1.00 0.00 O ATOM 774 CB PRO A 46 -5.548 26.590 1.318 1.00 0.00 C ATOM 775 CG PRO A 46 -4.935 25.241 1.126 1.00 0.00 C ATOM 776 CD PRO A 46 -3.429 25.398 1.360 1.00 0.00 C ATOM 0 HA PRO A 46 -4.603 28.393 2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.562 26.509 1.709 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.613 27.130 0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.361 24.521 1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.133 24.867 0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.029 24.571 1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.879 25.416 0.419 1.00 0.00 H new ATOM 784 N ASP A 47 -4.187 27.029 4.675 1.00 0.00 N ATOM 785 CA ASP A 47 -4.533 26.848 6.074 1.00 0.00 C ATOM 786 C ASP A 47 -5.201 28.095 6.629 1.00 0.00 C ATOM 787 O ASP A 47 -4.964 28.492 7.770 1.00 0.00 O ATOM 788 CB ASP A 47 -3.287 26.512 6.894 1.00 0.00 C ATOM 789 CG ASP A 47 -2.420 27.755 7.060 1.00 0.00 C ATOM 790 OD1 ASP A 47 -1.584 27.989 6.202 1.00 0.00 O ATOM 791 OD2 ASP A 47 -2.604 28.455 8.041 1.00 0.00 O ATOM 0 H ASP A 47 -3.185 27.069 4.488 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.235 26.017 6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.578 26.128 7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.718 25.725 6.399 1.00 0.00 H new ATOM 796 N GLY A 48 -6.035 28.703 5.805 1.00 0.00 N ATOM 797 CA GLY A 48 -6.748 29.913 6.200 1.00 0.00 C ATOM 798 C GLY A 48 -5.774 31.046 6.505 1.00 0.00 C ATOM 799 O GLY A 48 -5.724 31.553 7.626 1.00 0.00 O ATOM 0 H GLY A 48 -6.238 28.382 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.426 30.216 5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.360 29.708 7.078 1.00 0.00 H new ATOM 803 N PRO A 49 -5.005 31.444 5.529 1.00 0.00 N ATOM 804 CA PRO A 49 -4.006 32.538 5.678 1.00 0.00 C ATOM 805 C PRO A 49 -4.649 33.921 5.611 1.00 0.00 C ATOM 806 O PRO A 49 -3.957 34.931 5.481 1.00 0.00 O ATOM 807 CB PRO A 49 -3.064 32.315 4.496 1.00 0.00 C ATOM 808 CG PRO A 49 -3.898 31.659 3.444 1.00 0.00 C ATOM 809 CD PRO A 49 -5.007 30.888 4.167 1.00 0.00 C ATOM 0 HA PRO A 49 -3.505 32.511 6.645 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.651 33.258 4.139 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.221 31.685 4.779 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.322 32.402 2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.293 30.986 2.837 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.972 31.029 3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.807 29.816 4.174 1.00 0.00 H new ATOM 817 N LEU A 50 -5.974 33.959 5.698 1.00 0.00 N ATOM 818 CA LEU A 50 -6.698 35.224 5.645 1.00 0.00 C ATOM 819 C LEU A 50 -6.234 36.152 6.763 1.00 0.00 C ATOM 820 O LEU A 50 -6.068 37.355 6.557 1.00 0.00 O ATOM 821 CB LEU A 50 -8.201 34.975 5.781 1.00 0.00 C ATOM 822 CG LEU A 50 -8.863 35.074 4.406 1.00 0.00 C ATOM 823 CD1 LEU A 50 -10.278 34.499 4.478 1.00 0.00 C ATOM 824 CD2 LEU A 50 -8.931 36.542 3.979 1.00 0.00 C ATOM 0 H LEU A 50 -6.565 33.135 5.805 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.494 35.696 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.379 33.990 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.641 35.704 6.461 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.278 34.510 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.750 34.570 3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.231 33.454 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.863 35.063 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.403 36.614 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.516 37.106 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.923 36.953 3.928 1.00 0.00 H new ATOM 836 N GLU A 51 -6.026 35.585 7.948 1.00 0.00 N ATOM 837 CA GLU A 51 -5.580 36.372 9.092 1.00 0.00 C ATOM 838 C GLU A 51 -6.520 37.549 9.334 1.00 0.00 C ATOM 839 O GLU A 51 -7.658 37.370 9.765 1.00 0.00 O ATOM 840 CB GLU A 51 -4.163 36.892 8.851 1.00 0.00 C ATOM 841 CG GLU A 51 -3.173 35.727 8.910 1.00 0.00 C ATOM 842 CD GLU A 51 -1.743 36.259 8.917 1.00 0.00 C ATOM 843 OE1 GLU A 51 -1.545 37.362 9.399 1.00 0.00 O ATOM 844 OE2 GLU A 51 -0.868 35.556 8.439 1.00 0.00 O ATOM 0 H GLU A 51 -6.158 34.592 8.140 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.586 35.729 9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.105 37.383 7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.906 37.639 9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.353 35.131 9.805 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.321 35.069 8.054 1.00 0.00 H new ATOM 851 N HIS A 52 -6.031 38.753 9.054 1.00 0.00 N ATOM 852 CA HIS A 52 -6.832 39.956 9.246 1.00 0.00 C ATOM 853 C HIS A 52 -7.193 40.582 7.904 1.00 0.00 C ATOM 854 O HIS A 52 -6.445 40.469 6.933 1.00 0.00 O ATOM 855 CB HIS A 52 -6.055 40.969 10.089 1.00 0.00 C ATOM 856 CG HIS A 52 -6.286 40.691 11.548 1.00 0.00 C ATOM 857 ND1 HIS A 52 -5.931 41.593 12.537 1.00 0.00 N ATOM 858 CD2 HIS A 52 -6.836 39.615 12.201 1.00 0.00 C ATOM 859 CE1 HIS A 52 -6.269 41.050 13.722 1.00 0.00 C ATOM 860 NE2 HIS A 52 -6.824 39.844 13.573 1.00 0.00 N ATOM 0 H HIS A 52 -5.091 38.921 8.696 1.00 0.00 H new ATOM 0 HA HIS A 52 -7.751 39.679 9.762 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -4.991 40.908 9.860 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.376 41.982 9.846 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.219 38.726 11.722 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.111 41.531 14.676 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -7.166 39.224 14.308 1.00 0.00 H new ATOM 869 N HIS A 53 -8.344 41.245 7.859 1.00 0.00 N ATOM 870 CA HIS A 53 -8.794 41.890 6.631 1.00 0.00 C ATOM 871 C HIS A 53 -8.231 43.303 6.535 1.00 0.00 C ATOM 872 O HIS A 53 -8.881 44.208 6.012 1.00 0.00 O ATOM 873 CB HIS A 53 -10.323 41.945 6.598 1.00 0.00 C ATOM 874 CG HIS A 53 -10.881 40.579 6.893 1.00 0.00 C ATOM 875 ND1 HIS A 53 -11.835 40.368 7.877 1.00 0.00 N ATOM 876 CD2 HIS A 53 -10.630 39.347 6.344 1.00 0.00 C ATOM 877 CE1 HIS A 53 -12.120 39.053 7.888 1.00 0.00 C ATOM 878 NE2 HIS A 53 -11.413 38.384 6.973 1.00 0.00 N ATOM 0 H HIS A 53 -8.977 41.349 8.652 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.435 41.307 5.783 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.687 42.664 7.331 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.664 42.286 5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -9.930 39.154 5.544 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -12.834 38.594 8.556 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -11.441 37.383 6.778 1.00 0.00 H new ATOM 887 N HIS A 54 -7.016 43.484 7.044 1.00 0.00 N ATOM 888 CA HIS A 54 -6.372 44.792 7.012 1.00 0.00 C ATOM 889 C HIS A 54 -6.925 45.689 8.116 1.00 0.00 C ATOM 890 O HIS A 54 -8.114 46.007 8.133 1.00 0.00 O ATOM 891 CB HIS A 54 -6.602 45.453 5.652 1.00 0.00 C ATOM 892 CG HIS A 54 -5.454 46.373 5.342 1.00 0.00 C ATOM 893 ND1 HIS A 54 -4.740 46.291 4.156 1.00 0.00 N ATOM 894 CD2 HIS A 54 -4.882 47.398 6.053 1.00 0.00 C ATOM 895 CE1 HIS A 54 -3.789 47.241 4.189 1.00 0.00 C ATOM 896 NE2 HIS A 54 -3.831 47.946 5.322 1.00 0.00 N ATOM 0 H HIS A 54 -6.461 42.747 7.480 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.303 44.654 7.173 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -6.692 44.692 4.876 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.538 46.012 5.661 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -5.199 47.729 7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -3.077 47.413 3.395 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -3.224 48.719 5.594 1.00 0.00 H new ATOM 905 N HIS A 55 -6.054 46.095 9.034 1.00 0.00 N ATOM 906 CA HIS A 55 -6.468 46.955 10.137 1.00 0.00 C ATOM 907 C HIS A 55 -5.295 47.797 10.630 1.00 0.00 C ATOM 908 O HIS A 55 -4.149 47.567 10.245 1.00 0.00 O ATOM 909 CB HIS A 55 -7.008 46.104 11.288 1.00 0.00 C ATOM 910 CG HIS A 55 -7.976 46.917 12.102 1.00 0.00 C ATOM 911 ND1 HIS A 55 -7.640 47.448 13.338 1.00 0.00 N ATOM 912 CD2 HIS A 55 -9.274 47.298 11.871 1.00 0.00 C ATOM 913 CE1 HIS A 55 -8.715 48.114 13.799 1.00 0.00 C ATOM 914 NE2 HIS A 55 -9.739 48.054 12.944 1.00 0.00 N ATOM 0 H HIS A 55 -5.065 45.845 9.037 1.00 0.00 H new ATOM 0 HA HIS A 55 -7.253 47.621 9.779 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.503 45.215 10.896 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.187 45.760 11.917 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.848 47.049 10.991 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.746 48.634 14.745 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.663 48.472 13.053 1.00 0.00 H new ATOM 923 N HIS A 56 -5.592 48.771 11.484 1.00 0.00 N ATOM 924 CA HIS A 56 -4.554 49.642 12.026 1.00 0.00 C ATOM 925 C HIS A 56 -4.097 50.649 10.976 1.00 0.00 C ATOM 926 O HIS A 56 -2.976 50.571 10.472 1.00 0.00 O ATOM 927 CB HIS A 56 -3.359 48.805 12.488 1.00 0.00 C ATOM 928 CG HIS A 56 -3.851 47.531 13.114 1.00 0.00 C ATOM 929 ND1 HIS A 56 -4.785 47.523 14.139 1.00 0.00 N ATOM 930 CD2 HIS A 56 -3.549 46.214 12.872 1.00 0.00 C ATOM 931 CE1 HIS A 56 -5.010 46.239 14.472 1.00 0.00 C ATOM 932 NE2 HIS A 56 -4.282 45.399 13.731 1.00 0.00 N ATOM 0 H HIS A 56 -6.535 48.977 11.814 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.968 50.184 12.876 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -2.710 48.580 11.641 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.763 49.368 13.206 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.849 45.863 12.128 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.696 45.925 15.245 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.266 44.380 13.783 1.00 0.00 H new ATOM 941 N HIS A 57 -4.972 51.595 10.650 1.00 0.00 N ATOM 942 CA HIS A 57 -4.647 52.615 9.660 1.00 0.00 C ATOM 943 C HIS A 57 -4.780 54.009 10.262 1.00 0.00 C ATOM 944 O HIS A 57 -5.887 54.488 10.507 1.00 0.00 O ATOM 945 CB HIS A 57 -5.580 52.486 8.454 1.00 0.00 C ATOM 946 CG HIS A 57 -4.846 52.897 7.207 1.00 0.00 C ATOM 947 ND1 HIS A 57 -4.561 52.001 6.189 1.00 0.00 N ATOM 948 CD2 HIS A 57 -4.331 54.103 6.801 1.00 0.00 C ATOM 949 CE1 HIS A 57 -3.903 52.675 5.228 1.00 0.00 C ATOM 950 NE2 HIS A 57 -3.735 53.960 5.551 1.00 0.00 N ATOM 0 H HIS A 57 -5.905 51.676 11.054 1.00 0.00 H new ATOM 0 HA HIS A 57 -3.616 52.468 9.340 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.931 51.458 8.360 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.461 53.112 8.594 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.381 55.023 7.365 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.553 52.231 4.308 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.270 54.682 5.000 1.00 0.00 H new TER 959 HIS A 57