USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=14 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc=-0.000917 (180deg=-0.269) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 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 59:sc= 0.433 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 X(o=0,f=-0.44) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= -1.33 (180deg=-1.48) 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+ -173:sc= -2.16 (180deg=-2.5) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.455 F(o=-3.1,f=-0.46) USER MOD Single : A 52 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.6) USER MOD Single : A 53 HIS : no HD1:sc= -1.27! C(o=-1.3!,f=-1.9!) USER MOD Single : A 54 HIS : no HD1:sc= -0.509 X(o=-0.51,f=-0.77!) USER MOD Single : A 55 HIS : no HD1:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 HIS : no HE2:sc= -0.727 K(o=-0.73,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.155 -42.328 2.145 1.00 0.00 N ATOM 2 CA MET A 1 15.963 -41.877 1.436 1.00 0.00 C ATOM 3 C MET A 1 14.832 -41.589 2.418 1.00 0.00 C ATOM 4 O MET A 1 13.663 -41.839 2.124 1.00 0.00 O ATOM 5 CB MET A 1 15.515 -42.944 0.435 1.00 0.00 C ATOM 6 CG MET A 1 16.389 -42.866 -0.818 1.00 0.00 C ATOM 7 SD MET A 1 16.325 -44.446 -1.696 1.00 0.00 S ATOM 8 CE MET A 1 14.919 -44.054 -2.767 1.00 0.00 C ATOM 0 H1 MET A 1 17.663 -43.024 1.563 1.00 0.00 H new ATOM 0 H2 MET A 1 17.776 -41.515 2.333 1.00 0.00 H new ATOM 0 H3 MET A 1 16.878 -42.767 3.046 1.00 0.00 H new ATOM 0 HA MET A 1 16.207 -40.959 0.902 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.592 -43.934 0.884 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.468 -42.794 0.171 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.042 -42.062 -1.467 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.417 -42.632 -0.543 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.701 -44.908 -3.408 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.047 -43.828 -2.154 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.162 -43.189 -3.385 1.00 0.00 H new ATOM 18 N THR A 2 15.189 -41.064 3.585 1.00 0.00 N ATOM 19 CA THR A 2 14.197 -40.745 4.606 1.00 0.00 C ATOM 20 C THR A 2 13.949 -39.241 4.660 1.00 0.00 C ATOM 21 O THR A 2 13.300 -38.742 5.580 1.00 0.00 O ATOM 22 CB THR A 2 14.680 -41.234 5.973 1.00 0.00 C ATOM 23 OG1 THR A 2 15.448 -40.214 6.595 1.00 0.00 O ATOM 24 CG2 THR A 2 15.539 -42.487 5.796 1.00 0.00 C ATOM 0 H THR A 2 16.152 -40.851 3.847 1.00 0.00 H new ATOM 0 HA THR A 2 13.264 -41.247 4.350 1.00 0.00 H new ATOM 0 HB THR A 2 13.819 -41.473 6.598 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.757 -40.525 7.472 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.882 -42.834 6.771 1.00 0.00 H new ATOM 0 HG22 THR A 2 14.948 -43.269 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 2 16.400 -42.252 5.171 1.00 0.00 H new ATOM 32 N TYR A 3 14.472 -38.524 3.671 1.00 0.00 N ATOM 33 CA TYR A 3 14.303 -37.077 3.614 1.00 0.00 C ATOM 34 C TYR A 3 13.241 -36.698 2.585 1.00 0.00 C ATOM 35 O TYR A 3 12.559 -35.684 2.726 1.00 0.00 O ATOM 36 CB TYR A 3 15.632 -36.411 3.251 1.00 0.00 C ATOM 37 CG TYR A 3 16.374 -37.277 2.260 1.00 0.00 C ATOM 38 CD1 TYR A 3 15.986 -37.291 0.915 1.00 0.00 C ATOM 39 CD2 TYR A 3 17.450 -38.065 2.686 1.00 0.00 C ATOM 40 CE1 TYR A 3 16.675 -38.093 -0.004 1.00 0.00 C ATOM 41 CE2 TYR A 3 18.138 -38.866 1.768 1.00 0.00 C ATOM 42 CZ TYR A 3 17.750 -38.881 0.423 1.00 0.00 C ATOM 43 OH TYR A 3 18.430 -39.670 -0.482 1.00 0.00 O ATOM 0 H TYR A 3 15.014 -38.919 2.902 1.00 0.00 H new ATOM 0 HA TYR A 3 13.978 -36.730 4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 3 15.452 -35.424 2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 3 16.235 -36.266 4.147 1.00 0.00 H new ATOM 0 HD1 TYR A 3 15.156 -36.684 0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 3 17.749 -38.055 3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 3 16.377 -38.103 -1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 3 18.969 -39.473 2.097 1.00 0.00 H new ATOM 0 HH TYR A 3 19.148 -40.152 -0.021 1.00 0.00 H new ATOM 53 N PHE A 4 13.108 -37.523 1.551 1.00 0.00 N ATOM 54 CA PHE A 4 12.127 -37.268 0.502 1.00 0.00 C ATOM 55 C PHE A 4 10.823 -36.744 1.099 1.00 0.00 C ATOM 56 O PHE A 4 10.257 -35.765 0.613 1.00 0.00 O ATOM 57 CB PHE A 4 11.850 -38.558 -0.275 1.00 0.00 C ATOM 58 CG PHE A 4 11.591 -38.231 -1.727 1.00 0.00 C ATOM 59 CD1 PHE A 4 10.453 -37.499 -2.087 1.00 0.00 C ATOM 60 CD2 PHE A 4 12.488 -38.662 -2.711 1.00 0.00 C ATOM 61 CE1 PHE A 4 10.213 -37.199 -3.434 1.00 0.00 C ATOM 62 CE2 PHE A 4 12.246 -38.362 -4.058 1.00 0.00 C ATOM 63 CZ PHE A 4 11.109 -37.631 -4.419 1.00 0.00 C ATOM 0 H PHE A 4 13.663 -38.368 1.417 1.00 0.00 H new ATOM 0 HA PHE A 4 12.533 -36.514 -0.172 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.700 -39.235 -0.191 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.989 -39.073 0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.761 -37.166 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 4 13.366 -39.225 -2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.336 -36.634 -3.713 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.937 -38.695 -4.818 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.923 -37.400 -5.457 1.00 0.00 H new ATOM 73 N TYR A 5 10.352 -37.404 2.152 1.00 0.00 N ATOM 74 CA TYR A 5 9.113 -36.998 2.806 1.00 0.00 C ATOM 75 C TYR A 5 9.257 -35.610 3.422 1.00 0.00 C ATOM 76 O TYR A 5 8.541 -34.679 3.055 1.00 0.00 O ATOM 77 CB TYR A 5 8.746 -38.005 3.898 1.00 0.00 C ATOM 78 CG TYR A 5 8.456 -39.347 3.271 1.00 0.00 C ATOM 79 CD1 TYR A 5 7.161 -39.650 2.836 1.00 0.00 C ATOM 80 CD2 TYR A 5 9.482 -40.287 3.125 1.00 0.00 C ATOM 81 CE1 TYR A 5 6.891 -40.895 2.255 1.00 0.00 C ATOM 82 CE2 TYR A 5 9.213 -41.532 2.543 1.00 0.00 C ATOM 83 CZ TYR A 5 7.918 -41.836 2.109 1.00 0.00 C ATOM 84 OH TYR A 5 7.652 -43.063 1.536 1.00 0.00 O ATOM 0 H TYR A 5 10.806 -38.217 2.569 1.00 0.00 H new ATOM 0 HA TYR A 5 8.323 -36.968 2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 5 9.563 -38.095 4.613 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.875 -37.655 4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.370 -38.924 2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.481 -40.052 3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.892 -41.130 1.920 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.005 -42.257 2.429 1.00 0.00 H new ATOM 0 HH TYR A 5 8.474 -43.596 1.509 1.00 0.00 H new ATOM 94 N VAL A 6 10.185 -35.482 4.366 1.00 0.00 N ATOM 95 CA VAL A 6 10.412 -34.205 5.032 1.00 0.00 C ATOM 96 C VAL A 6 10.690 -33.104 4.011 1.00 0.00 C ATOM 97 O VAL A 6 10.635 -31.918 4.336 1.00 0.00 O ATOM 98 CB VAL A 6 11.597 -34.322 5.992 1.00 0.00 C ATOM 99 CG1 VAL A 6 11.685 -33.059 6.851 1.00 0.00 C ATOM 100 CG2 VAL A 6 11.400 -35.540 6.897 1.00 0.00 C ATOM 0 H VAL A 6 10.787 -36.241 4.685 1.00 0.00 H new ATOM 0 HA VAL A 6 9.513 -33.945 5.591 1.00 0.00 H new ATOM 0 HB VAL A 6 12.518 -34.437 5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.529 -33.142 7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.824 -32.190 6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.765 -32.943 7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.244 -35.625 7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.479 -35.424 7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.337 -36.441 6.286 1.00 0.00 H new ATOM 110 N THR A 7 10.990 -33.505 2.780 1.00 0.00 N ATOM 111 CA THR A 7 11.278 -32.540 1.725 1.00 0.00 C ATOM 112 C THR A 7 9.990 -31.925 1.187 1.00 0.00 C ATOM 113 O THR A 7 10.011 -30.862 0.565 1.00 0.00 O ATOM 114 CB THR A 7 12.034 -33.222 0.582 1.00 0.00 C ATOM 115 OG1 THR A 7 13.133 -33.949 1.113 1.00 0.00 O ATOM 116 CG2 THR A 7 12.545 -32.165 -0.399 1.00 0.00 C ATOM 0 H THR A 7 11.040 -34.482 2.490 1.00 0.00 H new ATOM 0 HA THR A 7 11.895 -31.747 2.148 1.00 0.00 H new ATOM 0 HB THR A 7 11.364 -33.904 0.059 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.806 -34.619 1.749 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.083 -32.653 -1.212 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.701 -31.608 -0.805 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.216 -31.480 0.120 1.00 0.00 H new ATOM 124 N ASP A 8 8.869 -32.597 1.428 1.00 0.00 N ATOM 125 CA ASP A 8 7.579 -32.103 0.957 1.00 0.00 C ATOM 126 C ASP A 8 7.231 -30.786 1.634 1.00 0.00 C ATOM 127 O ASP A 8 6.424 -30.006 1.129 1.00 0.00 O ATOM 128 CB ASP A 8 6.483 -33.133 1.241 1.00 0.00 C ATOM 129 CG ASP A 8 5.469 -33.139 0.102 1.00 0.00 C ATOM 130 OD1 ASP A 8 5.366 -32.133 -0.579 1.00 0.00 O ATOM 131 OD2 ASP A 8 4.810 -34.151 -0.073 1.00 0.00 O ATOM 0 H ASP A 8 8.826 -33.477 1.942 1.00 0.00 H new ATOM 0 HA ASP A 8 7.648 -31.939 -0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.923 -34.124 1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.985 -32.897 2.182 1.00 0.00 H new ATOM 136 N TYR A 9 7.846 -30.551 2.780 1.00 0.00 N ATOM 137 CA TYR A 9 7.602 -29.328 3.534 1.00 0.00 C ATOM 138 C TYR A 9 8.518 -28.204 3.056 1.00 0.00 C ATOM 139 O TYR A 9 8.265 -27.030 3.328 1.00 0.00 O ATOM 140 CB TYR A 9 7.834 -29.580 5.025 1.00 0.00 C ATOM 141 CG TYR A 9 6.813 -28.807 5.827 1.00 0.00 C ATOM 142 CD1 TYR A 9 7.089 -27.494 6.229 1.00 0.00 C ATOM 143 CD2 TYR A 9 5.590 -29.400 6.162 1.00 0.00 C ATOM 144 CE1 TYR A 9 6.142 -26.775 6.968 1.00 0.00 C ATOM 145 CE2 TYR A 9 4.643 -28.681 6.901 1.00 0.00 C ATOM 146 CZ TYR A 9 4.919 -27.369 7.304 1.00 0.00 C ATOM 147 OH TYR A 9 3.984 -26.660 8.032 1.00 0.00 O ATOM 0 H TYR A 9 8.517 -31.188 3.210 1.00 0.00 H new ATOM 0 HA TYR A 9 6.567 -29.027 3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.753 -30.645 5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.842 -29.273 5.305 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.032 -27.036 5.969 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.377 -30.412 5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.354 -25.763 7.279 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.700 -29.138 7.160 1.00 0.00 H new ATOM 0 HH TYR A 9 3.192 -27.218 8.178 1.00 0.00 H new ATOM 157 N LEU A 10 9.580 -28.568 2.345 1.00 0.00 N ATOM 158 CA LEU A 10 10.522 -27.576 1.840 1.00 0.00 C ATOM 159 C LEU A 10 10.186 -27.194 0.401 1.00 0.00 C ATOM 160 O LEU A 10 11.076 -27.047 -0.436 1.00 0.00 O ATOM 161 CB LEU A 10 11.948 -28.129 1.907 1.00 0.00 C ATOM 162 CG LEU A 10 12.520 -27.888 3.305 1.00 0.00 C ATOM 163 CD1 LEU A 10 13.409 -29.067 3.706 1.00 0.00 C ATOM 164 CD2 LEU A 10 13.351 -26.603 3.300 1.00 0.00 C ATOM 0 H LEU A 10 9.809 -29.533 2.107 1.00 0.00 H new ATOM 0 HA LEU A 10 10.448 -26.684 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.948 -29.195 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.574 -27.644 1.157 1.00 0.00 H new ATOM 0 HG LEU A 10 11.702 -27.792 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 10 13.816 -28.894 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.819 -29.983 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 10 14.227 -29.165 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 10 13.759 -26.430 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 10 14.168 -26.701 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.719 -25.762 3.016 1.00 0.00 H new ATOM 176 N ASP A 11 8.897 -27.028 0.124 1.00 0.00 N ATOM 177 CA ASP A 11 8.453 -26.656 -1.213 1.00 0.00 C ATOM 178 C ASP A 11 7.385 -25.573 -1.130 1.00 0.00 C ATOM 179 O ASP A 11 6.387 -25.723 -0.426 1.00 0.00 O ATOM 180 CB ASP A 11 7.892 -27.881 -1.938 1.00 0.00 C ATOM 181 CG ASP A 11 9.036 -28.728 -2.488 1.00 0.00 C ATOM 182 OD1 ASP A 11 10.133 -28.616 -1.967 1.00 0.00 O ATOM 183 OD2 ASP A 11 8.796 -29.477 -3.421 1.00 0.00 O ATOM 0 H ASP A 11 8.146 -27.145 0.804 1.00 0.00 H new ATOM 0 HA ASP A 11 9.307 -26.270 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.286 -28.474 -1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.238 -27.565 -2.751 1.00 0.00 H new ATOM 188 N VAL A 12 7.603 -24.482 -1.853 1.00 0.00 N ATOM 189 CA VAL A 12 6.655 -23.373 -1.854 1.00 0.00 C ATOM 190 C VAL A 12 6.946 -22.414 -3.007 1.00 0.00 C ATOM 191 O VAL A 12 7.749 -21.492 -2.870 1.00 0.00 O ATOM 192 CB VAL A 12 6.742 -22.616 -0.528 1.00 0.00 C ATOM 193 CG1 VAL A 12 8.211 -22.435 -0.141 1.00 0.00 C ATOM 194 CG2 VAL A 12 6.082 -21.243 -0.683 1.00 0.00 C ATOM 0 H VAL A 12 8.423 -24.341 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 12 5.651 -23.779 -1.980 1.00 0.00 H new ATOM 0 HB VAL A 12 6.228 -23.181 0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.274 -21.896 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.682 -23.412 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.725 -21.868 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.143 -20.701 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.597 -20.677 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.036 -21.371 -0.961 1.00 0.00 H new ATOM 204 N PRO A 13 6.308 -22.616 -4.129 1.00 0.00 N ATOM 205 CA PRO A 13 6.498 -21.751 -5.332 1.00 0.00 C ATOM 206 C PRO A 13 6.269 -20.274 -5.019 1.00 0.00 C ATOM 207 O PRO A 13 5.349 -19.922 -4.282 1.00 0.00 O ATOM 208 CB PRO A 13 5.454 -22.265 -6.329 1.00 0.00 C ATOM 209 CG PRO A 13 5.120 -23.652 -5.887 1.00 0.00 C ATOM 210 CD PRO A 13 5.337 -23.692 -4.375 1.00 0.00 C ATOM 0 HA PRO A 13 7.517 -21.807 -5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.568 -21.630 -6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.849 -22.262 -7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.089 -23.901 -6.137 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.755 -24.382 -6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.407 -23.522 -3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.722 -24.659 -4.052 1.00 0.00 H new ATOM 218 N SER A 14 7.113 -19.417 -5.585 1.00 0.00 N ATOM 219 CA SER A 14 6.996 -17.980 -5.360 1.00 0.00 C ATOM 220 C SER A 14 5.659 -17.463 -5.880 1.00 0.00 C ATOM 221 O SER A 14 5.261 -16.332 -5.591 1.00 0.00 O ATOM 222 CB SER A 14 8.138 -17.244 -6.058 1.00 0.00 C ATOM 223 OG SER A 14 8.374 -16.007 -5.397 1.00 0.00 O ATOM 0 H SER A 14 7.881 -19.690 -6.199 1.00 0.00 H new ATOM 0 HA SER A 14 7.051 -17.795 -4.287 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.041 -17.854 -6.045 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.887 -17.068 -7.104 1.00 0.00 H new ATOM 0 HG SER A 14 9.107 -15.533 -5.842 1.00 0.00 H new ATOM 229 N ASN A 15 4.966 -18.298 -6.643 1.00 0.00 N ATOM 230 CA ASN A 15 3.676 -17.908 -7.189 1.00 0.00 C ATOM 231 C ASN A 15 2.744 -17.488 -6.061 1.00 0.00 C ATOM 232 O ASN A 15 1.858 -16.655 -6.251 1.00 0.00 O ATOM 233 CB ASN A 15 3.060 -19.078 -7.962 1.00 0.00 C ATOM 234 CG ASN A 15 2.744 -18.650 -9.391 1.00 0.00 C ATOM 235 OD1 ASN A 15 1.674 -18.102 -9.654 1.00 0.00 O ATOM 236 ND2 ASN A 15 3.618 -18.868 -10.335 1.00 0.00 N ATOM 0 H ASN A 15 5.272 -19.238 -6.895 1.00 0.00 H new ATOM 0 HA ASN A 15 3.817 -17.068 -7.869 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.749 -19.922 -7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.150 -19.414 -7.465 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.415 -18.584 -11.293 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.504 -19.322 -10.115 1.00 0.00 H new ATOM 243 N ILE A 16 2.958 -18.063 -4.881 1.00 0.00 N ATOM 244 CA ILE A 16 2.137 -17.730 -3.725 1.00 0.00 C ATOM 245 C ILE A 16 2.563 -16.393 -3.150 1.00 0.00 C ATOM 246 O ILE A 16 1.816 -15.738 -2.429 1.00 0.00 O ATOM 247 CB ILE A 16 2.257 -18.817 -2.657 1.00 0.00 C ATOM 248 CG1 ILE A 16 1.387 -20.013 -3.050 1.00 0.00 C ATOM 249 CG2 ILE A 16 1.784 -18.264 -1.310 1.00 0.00 C ATOM 250 CD1 ILE A 16 1.744 -21.215 -2.173 1.00 0.00 C ATOM 0 H ILE A 16 3.686 -18.755 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 16 1.097 -17.665 -4.045 1.00 0.00 H new ATOM 0 HB ILE A 16 3.297 -19.133 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.333 -19.764 -2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.540 -20.258 -4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.869 -19.039 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.401 -17.410 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.744 -17.948 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.124 -22.067 -2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.795 -21.469 -2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.568 -20.967 -1.126 1.00 0.00 H new ATOM 262 N ALA A 17 3.773 -16.009 -3.488 1.00 0.00 N ATOM 263 CA ALA A 17 4.339 -14.748 -3.024 1.00 0.00 C ATOM 264 C ALA A 17 3.735 -13.575 -3.787 1.00 0.00 C ATOM 265 O ALA A 17 3.627 -12.466 -3.266 1.00 0.00 O ATOM 266 CB ALA A 17 5.852 -14.757 -3.232 1.00 0.00 C ATOM 0 H ALA A 17 4.394 -16.552 -4.087 1.00 0.00 H new ATOM 0 HA ALA A 17 4.110 -14.636 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.273 -13.813 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.292 -15.580 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.073 -14.884 -4.292 1.00 0.00 H new ATOM 272 N LYS A 18 3.342 -13.839 -5.024 1.00 0.00 N ATOM 273 CA LYS A 18 2.743 -12.813 -5.868 1.00 0.00 C ATOM 274 C LYS A 18 1.240 -12.821 -5.686 1.00 0.00 C ATOM 275 O LYS A 18 0.575 -11.790 -5.782 1.00 0.00 O ATOM 276 CB LYS A 18 3.089 -13.067 -7.336 1.00 0.00 C ATOM 277 CG LYS A 18 2.935 -11.766 -8.129 1.00 0.00 C ATOM 278 CD LYS A 18 4.285 -11.049 -8.216 1.00 0.00 C ATOM 279 CE LYS A 18 4.936 -11.345 -9.569 1.00 0.00 C ATOM 280 NZ LYS A 18 4.758 -12.788 -9.901 1.00 0.00 N ATOM 0 H LYS A 18 3.426 -14.754 -5.467 1.00 0.00 H new ATOM 0 HA LYS A 18 3.138 -11.839 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.110 -13.439 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.435 -13.836 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.562 -11.982 -9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.200 -11.121 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.146 -9.975 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.937 -11.379 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.487 -10.724 -10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.997 -11.096 -9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.353 -13.032 -10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.037 -13.369 -9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.760 -12.971 -10.132 1.00 0.00 H new ATOM 294 N ILE A 19 0.719 -14.003 -5.410 1.00 0.00 N ATOM 295 CA ILE A 19 -0.707 -14.170 -5.196 1.00 0.00 C ATOM 296 C ILE A 19 -1.056 -13.784 -3.769 1.00 0.00 C ATOM 297 O ILE A 19 -2.219 -13.548 -3.443 1.00 0.00 O ATOM 298 CB ILE A 19 -1.109 -15.623 -5.446 1.00 0.00 C ATOM 299 CG1 ILE A 19 -0.854 -15.980 -6.912 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.595 -15.805 -5.130 1.00 0.00 C ATOM 301 CD1 ILE A 19 -0.946 -17.497 -7.091 1.00 0.00 C ATOM 0 H ILE A 19 1.263 -14.862 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.248 -13.527 -5.890 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.518 -16.276 -4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.584 -15.483 -7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.131 -15.626 -7.218 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.881 -16.842 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.778 -15.553 -4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.186 -15.150 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.764 -17.752 -8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.199 -17.983 -6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.940 -17.838 -6.802 1.00 0.00 H new ATOM 313 N ILE A 20 -0.036 -13.724 -2.917 1.00 0.00 N ATOM 314 CA ILE A 20 -0.258 -13.366 -1.516 1.00 0.00 C ATOM 315 C ILE A 20 0.209 -11.940 -1.229 1.00 0.00 C ATOM 316 O ILE A 20 -0.389 -11.237 -0.414 1.00 0.00 O ATOM 317 CB ILE A 20 0.480 -14.337 -0.593 1.00 0.00 C ATOM 318 CG1 ILE A 20 -0.020 -14.156 0.843 1.00 0.00 C ATOM 319 CG2 ILE A 20 1.979 -14.048 -0.644 1.00 0.00 C ATOM 320 CD1 ILE A 20 -1.460 -14.659 0.952 1.00 0.00 C ATOM 0 H ILE A 20 0.935 -13.914 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.330 -13.427 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 20 0.293 -15.360 -0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.621 -14.704 1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.031 -13.105 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.505 -14.740 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.339 -14.173 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.164 -13.025 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.814 -14.529 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.096 -14.091 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.497 -15.715 0.686 1.00 0.00 H new ATOM 332 N ILE A 21 1.281 -11.518 -1.892 1.00 0.00 N ATOM 333 CA ILE A 21 1.810 -10.173 -1.681 1.00 0.00 C ATOM 334 C ILE A 21 1.192 -9.183 -2.664 1.00 0.00 C ATOM 335 O ILE A 21 1.171 -7.978 -2.412 1.00 0.00 O ATOM 336 CB ILE A 21 3.332 -10.176 -1.845 1.00 0.00 C ATOM 337 CG1 ILE A 21 3.934 -9.055 -0.994 1.00 0.00 C ATOM 338 CG2 ILE A 21 3.691 -9.952 -3.314 1.00 0.00 C ATOM 339 CD1 ILE A 21 3.845 -9.429 0.487 1.00 0.00 C ATOM 0 H ILE A 21 1.795 -12.078 -2.571 1.00 0.00 H new ATOM 0 HA ILE A 21 1.553 -9.863 -0.668 1.00 0.00 H new ATOM 0 HB ILE A 21 3.731 -11.137 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.974 -8.890 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.402 -8.121 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.775 -9.955 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.261 -10.750 -3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.294 -8.992 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.274 -8.629 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.801 -9.572 0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.397 -10.352 0.663 1.00 0.00 H new ATOM 351 N GLY A 22 0.689 -9.695 -3.781 1.00 0.00 N ATOM 352 CA GLY A 22 0.073 -8.841 -4.790 1.00 0.00 C ATOM 353 C GLY A 22 -0.832 -7.796 -4.143 1.00 0.00 C ATOM 354 O GLY A 22 -0.721 -6.602 -4.425 1.00 0.00 O ATOM 0 H GLY A 22 0.695 -10.689 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.848 -8.345 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.507 -9.451 -5.483 1.00 0.00 H new ATOM 358 N PRO A 23 -1.717 -8.228 -3.287 1.00 0.00 N ATOM 359 CA PRO A 23 -2.667 -7.319 -2.582 1.00 0.00 C ATOM 360 C PRO A 23 -1.945 -6.181 -1.869 1.00 0.00 C ATOM 361 O PRO A 23 -2.474 -5.075 -1.751 1.00 0.00 O ATOM 362 CB PRO A 23 -3.376 -8.229 -1.575 1.00 0.00 C ATOM 363 CG PRO A 23 -3.211 -9.617 -2.100 1.00 0.00 C ATOM 364 CD PRO A 23 -1.909 -9.632 -2.900 1.00 0.00 C ATOM 0 HA PRO A 23 -3.354 -6.834 -3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.937 -8.131 -0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.430 -7.967 -1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.172 -10.338 -1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.056 -9.895 -2.730 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.076 -9.999 -2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.984 -10.281 -3.773 1.00 0.00 H new ATOM 372 N LEU A 24 -0.733 -6.455 -1.398 1.00 0.00 N ATOM 373 CA LEU A 24 0.048 -5.440 -0.704 1.00 0.00 C ATOM 374 C LEU A 24 0.720 -4.517 -1.705 1.00 0.00 C ATOM 375 O LEU A 24 0.763 -3.302 -1.513 1.00 0.00 O ATOM 376 CB LEU A 24 1.103 -6.100 0.186 1.00 0.00 C ATOM 377 CG LEU A 24 1.161 -5.377 1.533 1.00 0.00 C ATOM 378 CD1 LEU A 24 -0.114 -5.667 2.328 1.00 0.00 C ATOM 379 CD2 LEU A 24 2.378 -5.872 2.321 1.00 0.00 C ATOM 0 H LEU A 24 -0.275 -7.362 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.625 -4.853 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.860 -7.152 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.078 -6.064 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 24 1.245 -4.303 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.070 -5.151 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.980 -5.317 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.201 -6.740 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.423 -5.359 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.292 -6.946 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.287 -5.664 1.756 1.00 0.00 H new ATOM 391 N ILE A 25 1.224 -5.095 -2.785 1.00 0.00 N ATOM 392 CA ILE A 25 1.865 -4.305 -3.818 1.00 0.00 C ATOM 393 C ILE A 25 0.947 -3.156 -4.207 1.00 0.00 C ATOM 394 O ILE A 25 1.403 -2.070 -4.565 1.00 0.00 O ATOM 395 CB ILE A 25 2.161 -5.170 -5.045 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.455 -5.954 -4.813 1.00 0.00 C ATOM 397 CG2 ILE A 25 2.323 -4.274 -6.274 1.00 0.00 C ATOM 398 CD1 ILE A 25 3.752 -6.824 -6.036 1.00 0.00 C ATOM 0 H ILE A 25 1.201 -6.099 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 25 2.808 -3.912 -3.436 1.00 0.00 H new ATOM 0 HB ILE A 25 1.337 -5.865 -5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.282 -5.267 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.360 -6.578 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.534 -4.890 -7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.403 -3.713 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.148 -3.580 -6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.674 -7.382 -5.870 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.929 -7.521 -6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.865 -6.190 -6.915 1.00 0.00 H new ATOM 410 N PHE A 26 -0.355 -3.415 -4.134 1.00 0.00 N ATOM 411 CA PHE A 26 -1.349 -2.405 -4.479 1.00 0.00 C ATOM 412 C PHE A 26 -1.343 -1.271 -3.459 1.00 0.00 C ATOM 413 O PHE A 26 -1.407 -0.096 -3.822 1.00 0.00 O ATOM 414 CB PHE A 26 -2.740 -3.040 -4.529 1.00 0.00 C ATOM 415 CG PHE A 26 -3.007 -3.558 -5.921 1.00 0.00 C ATOM 416 CD1 PHE A 26 -1.958 -4.079 -6.687 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.304 -3.516 -6.447 1.00 0.00 C ATOM 418 CE1 PHE A 26 -2.206 -4.559 -7.979 1.00 0.00 C ATOM 419 CE2 PHE A 26 -4.552 -3.995 -7.738 1.00 0.00 C ATOM 420 CZ PHE A 26 -3.503 -4.517 -8.504 1.00 0.00 C ATOM 0 H PHE A 26 -0.745 -4.311 -3.841 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.098 -1.997 -5.458 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.806 -3.854 -3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.497 -2.306 -4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.957 -4.111 -6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.113 -3.114 -5.856 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.397 -4.961 -8.570 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.552 -3.962 -8.143 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.694 -4.887 -9.500 1.00 0.00 H new ATOM 430 N VAL A 27 -1.263 -1.630 -2.182 1.00 0.00 N ATOM 431 CA VAL A 27 -1.248 -0.633 -1.118 1.00 0.00 C ATOM 432 C VAL A 27 -0.013 0.252 -1.237 1.00 0.00 C ATOM 433 O VAL A 27 -0.064 1.448 -0.952 1.00 0.00 O ATOM 434 CB VAL A 27 -1.257 -1.324 0.247 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.111 -0.276 1.351 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.580 -2.072 0.428 1.00 0.00 C ATOM 0 H VAL A 27 -1.208 -2.596 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.138 -0.011 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.427 -2.029 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.117 -0.769 2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.171 0.260 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.941 0.429 1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.589 -2.565 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.408 -1.365 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.686 -2.819 -0.359 1.00 0.00 H new ATOM 446 N PHE A 28 1.096 -0.344 -1.665 1.00 0.00 N ATOM 447 CA PHE A 28 2.339 0.401 -1.822 1.00 0.00 C ATOM 448 C PHE A 28 2.240 1.349 -3.011 1.00 0.00 C ATOM 449 O PHE A 28 2.695 2.491 -2.947 1.00 0.00 O ATOM 450 CB PHE A 28 3.506 -0.567 -2.030 1.00 0.00 C ATOM 451 CG PHE A 28 4.738 -0.026 -1.343 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.446 1.040 -1.911 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.172 -0.593 -0.138 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.588 1.541 -1.274 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.315 -0.092 0.499 1.00 0.00 C ATOM 456 CZ PHE A 28 7.022 0.974 -0.069 1.00 0.00 C ATOM 0 H PHE A 28 1.159 -1.333 -1.907 1.00 0.00 H new ATOM 0 HA PHE A 28 2.513 0.984 -0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.254 -1.549 -1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.698 -0.698 -3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.111 1.476 -2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.626 -1.416 0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.134 2.364 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.650 -0.528 1.428 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.903 1.360 0.422 1.00 0.00 H new ATOM 466 N LEU A 29 1.634 0.872 -4.094 1.00 0.00 N ATOM 467 CA LEU A 29 1.474 1.693 -5.288 1.00 0.00 C ATOM 468 C LEU A 29 0.544 2.864 -4.995 1.00 0.00 C ATOM 469 O LEU A 29 0.739 3.968 -5.504 1.00 0.00 O ATOM 470 CB LEU A 29 0.900 0.855 -6.432 1.00 0.00 C ATOM 471 CG LEU A 29 0.987 1.649 -7.736 1.00 0.00 C ATOM 472 CD1 LEU A 29 2.454 1.815 -8.138 1.00 0.00 C ATOM 473 CD2 LEU A 29 0.239 0.900 -8.840 1.00 0.00 C ATOM 0 H LEU A 29 1.249 -0.070 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 29 2.451 2.075 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.452 -0.080 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.137 0.593 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 29 0.537 2.631 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.515 2.381 -9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.988 2.349 -7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.905 0.833 -8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.301 1.466 -9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.689 -0.082 -8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.807 0.782 -8.556 1.00 0.00 H new ATOM 485 N PHE A 30 -0.463 2.614 -4.166 1.00 0.00 N ATOM 486 CA PHE A 30 -1.417 3.654 -3.803 1.00 0.00 C ATOM 487 C PHE A 30 -0.759 4.671 -2.877 1.00 0.00 C ATOM 488 O PHE A 30 -1.017 5.871 -2.972 1.00 0.00 O ATOM 489 CB PHE A 30 -2.628 3.031 -3.107 1.00 0.00 C ATOM 490 CG PHE A 30 -3.765 2.906 -4.092 1.00 0.00 C ATOM 491 CD1 PHE A 30 -4.564 4.018 -4.381 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.020 1.679 -4.717 1.00 0.00 C ATOM 493 CE1 PHE A 30 -5.619 3.904 -5.295 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.075 1.564 -5.630 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.874 2.677 -5.919 1.00 0.00 C ATOM 0 H PHE A 30 -0.639 1.706 -3.735 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.746 4.161 -4.710 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.368 2.050 -2.709 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.932 3.648 -2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.367 4.964 -3.899 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.403 0.821 -4.495 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.236 4.762 -5.518 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.272 0.617 -6.111 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.688 2.589 -6.624 1.00 0.00 H new ATOM 505 N SER A 31 0.098 4.183 -1.986 1.00 0.00 N ATOM 506 CA SER A 31 0.795 5.057 -1.053 1.00 0.00 C ATOM 507 C SER A 31 1.776 5.947 -1.802 1.00 0.00 C ATOM 508 O SER A 31 1.957 7.118 -1.466 1.00 0.00 O ATOM 509 CB SER A 31 1.544 4.223 -0.014 1.00 0.00 C ATOM 510 OG SER A 31 0.871 4.316 1.235 1.00 0.00 O ATOM 0 H SER A 31 0.325 3.193 -1.891 1.00 0.00 H new ATOM 0 HA SER A 31 0.062 5.684 -0.546 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.597 3.183 -0.335 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.569 4.579 0.085 1.00 0.00 H new ATOM 0 HG SER A 31 1.347 3.781 1.904 1.00 0.00 H new ATOM 516 N VAL A 32 2.401 5.380 -2.821 1.00 0.00 N ATOM 517 CA VAL A 32 3.362 6.120 -3.628 1.00 0.00 C ATOM 518 C VAL A 32 2.674 7.276 -4.346 1.00 0.00 C ATOM 519 O VAL A 32 3.195 8.392 -4.389 1.00 0.00 O ATOM 520 CB VAL A 32 4.006 5.189 -4.657 1.00 0.00 C ATOM 521 CG1 VAL A 32 4.676 6.021 -5.753 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.057 4.318 -3.965 1.00 0.00 C ATOM 0 H VAL A 32 2.262 4.412 -3.110 1.00 0.00 H new ATOM 0 HA VAL A 32 4.133 6.520 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 32 3.240 4.554 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.134 5.356 -6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.929 6.643 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.443 6.657 -5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.518 3.654 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.822 4.955 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.581 3.724 -3.184 1.00 0.00 H new ATOM 532 N VAL A 33 1.499 7.004 -4.905 1.00 0.00 N ATOM 533 CA VAL A 33 0.745 8.030 -5.614 1.00 0.00 C ATOM 534 C VAL A 33 0.449 9.206 -4.688 1.00 0.00 C ATOM 535 O VAL A 33 0.719 10.357 -5.028 1.00 0.00 O ATOM 536 CB VAL A 33 -0.568 7.447 -6.138 1.00 0.00 C ATOM 537 CG1 VAL A 33 -1.285 8.489 -6.997 1.00 0.00 C ATOM 538 CG2 VAL A 33 -0.269 6.208 -6.985 1.00 0.00 C ATOM 0 H VAL A 33 1.051 6.088 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 33 1.344 8.382 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.205 7.172 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.221 8.072 -7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.496 9.373 -6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.650 8.766 -7.839 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.203 5.790 -7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.367 6.486 -7.825 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.242 5.464 -6.374 1.00 0.00 H new ATOM 548 N ILE A 34 -0.103 8.904 -3.518 1.00 0.00 N ATOM 549 CA ILE A 34 -0.426 9.945 -2.548 1.00 0.00 C ATOM 550 C ILE A 34 0.845 10.581 -2.010 1.00 0.00 C ATOM 551 O ILE A 34 0.826 11.694 -1.484 1.00 0.00 O ATOM 552 CB ILE A 34 -1.235 9.350 -1.394 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.710 9.273 -1.795 1.00 0.00 C ATOM 554 CG2 ILE A 34 -1.088 10.238 -0.156 1.00 0.00 C ATOM 555 CD1 ILE A 34 -2.826 8.700 -3.209 1.00 0.00 C ATOM 0 H ILE A 34 -0.335 7.957 -3.220 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.019 10.712 -3.046 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.866 8.350 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.257 8.646 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.161 10.265 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.664 9.814 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.037 10.294 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.457 11.239 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.877 8.645 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.293 9.345 -3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.391 7.701 -3.234 1.00 0.00 H new ATOM 567 N GLY A 35 1.947 9.861 -2.144 1.00 0.00 N ATOM 568 CA GLY A 35 3.234 10.348 -1.668 1.00 0.00 C ATOM 569 C GLY A 35 3.806 11.410 -2.592 1.00 0.00 C ATOM 570 O GLY A 35 4.092 12.530 -2.170 1.00 0.00 O ATOM 0 H GLY A 35 1.978 8.938 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.120 10.760 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.933 9.515 -1.592 1.00 0.00 H new ATOM 574 N SER A 36 3.963 11.049 -3.857 1.00 0.00 N ATOM 575 CA SER A 36 4.492 11.978 -4.838 1.00 0.00 C ATOM 576 C SER A 36 3.492 13.096 -5.047 1.00 0.00 C ATOM 577 O SER A 36 3.849 14.213 -5.424 1.00 0.00 O ATOM 578 CB SER A 36 4.758 11.260 -6.161 1.00 0.00 C ATOM 579 OG SER A 36 3.549 11.181 -6.905 1.00 0.00 O ATOM 0 H SER A 36 3.733 10.126 -4.224 1.00 0.00 H new ATOM 0 HA SER A 36 5.434 12.390 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.516 11.796 -6.733 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.149 10.260 -5.973 1.00 0.00 H new ATOM 0 HG SER A 36 3.717 10.723 -7.755 1.00 0.00 H new ATOM 585 N ILE A 37 2.234 12.780 -4.785 1.00 0.00 N ATOM 586 CA ILE A 37 1.168 13.764 -4.933 1.00 0.00 C ATOM 587 C ILE A 37 1.225 14.764 -3.786 1.00 0.00 C ATOM 588 O ILE A 37 1.027 15.963 -3.979 1.00 0.00 O ATOM 589 CB ILE A 37 -0.195 13.074 -4.949 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.511 12.605 -6.370 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.273 14.056 -4.485 1.00 0.00 C ATOM 592 CD1 ILE A 37 -1.143 13.753 -7.160 1.00 0.00 C ATOM 0 H ILE A 37 1.925 11.860 -4.472 1.00 0.00 H new ATOM 0 HA ILE A 37 1.306 14.290 -5.878 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.174 12.216 -4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.401 12.269 -6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.190 11.753 -6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.245 13.562 -4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.049 14.391 -3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.295 14.916 -5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.368 13.418 -8.172 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.064 14.069 -6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.448 14.592 -7.202 1.00 0.00 H new ATOM 604 N TYR A 38 1.500 14.254 -2.590 1.00 0.00 N ATOM 605 CA TYR A 38 1.584 15.105 -1.410 1.00 0.00 C ATOM 606 C TYR A 38 2.532 16.272 -1.664 1.00 0.00 C ATOM 607 O TYR A 38 2.237 17.413 -1.307 1.00 0.00 O ATOM 608 CB TYR A 38 2.077 14.290 -0.212 1.00 0.00 C ATOM 609 CG TYR A 38 2.023 15.139 1.034 1.00 0.00 C ATOM 610 CD1 TYR A 38 3.005 16.112 1.262 1.00 0.00 C ATOM 611 CD2 TYR A 38 0.993 14.954 1.964 1.00 0.00 C ATOM 612 CE1 TYR A 38 2.955 16.899 2.418 1.00 0.00 C ATOM 613 CE2 TYR A 38 0.944 15.741 3.120 1.00 0.00 C ATOM 614 CZ TYR A 38 1.925 16.714 3.348 1.00 0.00 C ATOM 615 OH TYR A 38 1.877 17.489 4.488 1.00 0.00 O ATOM 0 H TYR A 38 1.667 13.263 -2.413 1.00 0.00 H new ATOM 0 HA TYR A 38 0.591 15.498 -1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.460 13.401 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.097 13.948 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.801 16.255 0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.236 14.204 1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.712 17.650 2.593 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.149 15.598 3.837 1.00 0.00 H new ATOM 0 HH TYR A 38 1.099 17.233 5.025 1.00 0.00 H new ATOM 625 N LEU A 39 3.667 15.980 -2.288 1.00 0.00 N ATOM 626 CA LEU A 39 4.645 17.018 -2.592 1.00 0.00 C ATOM 627 C LEU A 39 4.001 18.111 -3.437 1.00 0.00 C ATOM 628 O LEU A 39 4.213 19.300 -3.201 1.00 0.00 O ATOM 629 CB LEU A 39 5.834 16.418 -3.348 1.00 0.00 C ATOM 630 CG LEU A 39 6.008 14.950 -2.955 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.304 14.408 -3.560 1.00 0.00 C ATOM 632 CD2 LEU A 39 6.070 14.836 -1.430 1.00 0.00 C ATOM 0 H LEU A 39 3.932 15.043 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 39 4.998 17.449 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.672 16.500 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.742 16.976 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 39 5.164 14.371 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.427 13.362 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.261 14.490 -4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.149 14.986 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.194 13.790 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.914 15.415 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.146 15.221 -0.998 1.00 0.00 H new ATOM 644 N PHE A 40 3.213 17.695 -4.424 1.00 0.00 N ATOM 645 CA PHE A 40 2.536 18.642 -5.302 1.00 0.00 C ATOM 646 C PHE A 40 1.366 19.305 -4.581 1.00 0.00 C ATOM 647 O PHE A 40 1.019 20.451 -4.869 1.00 0.00 O ATOM 648 CB PHE A 40 2.024 17.921 -6.550 1.00 0.00 C ATOM 649 CG PHE A 40 1.283 18.900 -7.429 1.00 0.00 C ATOM 650 CD1 PHE A 40 1.995 19.842 -8.182 1.00 0.00 C ATOM 651 CD2 PHE A 40 -0.116 18.868 -7.490 1.00 0.00 C ATOM 652 CE1 PHE A 40 1.308 20.751 -8.997 1.00 0.00 C ATOM 653 CE2 PHE A 40 -0.802 19.777 -8.304 1.00 0.00 C ATOM 654 CZ PHE A 40 -0.090 20.718 -9.057 1.00 0.00 C ATOM 0 H PHE A 40 3.029 16.714 -4.635 1.00 0.00 H new ATOM 0 HA PHE A 40 3.251 19.412 -5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.858 17.483 -7.098 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.365 17.101 -6.265 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.074 19.868 -8.134 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.665 18.142 -6.909 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.857 21.477 -9.579 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.881 19.752 -8.351 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.620 21.419 -9.685 1.00 0.00 H new ATOM 664 N LEU A 41 0.759 18.579 -3.648 1.00 0.00 N ATOM 665 CA LEU A 41 -0.374 19.113 -2.900 1.00 0.00 C ATOM 666 C LEU A 41 0.104 19.888 -1.681 1.00 0.00 C ATOM 667 O LEU A 41 -0.664 20.613 -1.050 1.00 0.00 O ATOM 668 CB LEU A 41 -1.301 17.979 -2.460 1.00 0.00 C ATOM 669 CG LEU A 41 -2.729 18.511 -2.332 1.00 0.00 C ATOM 670 CD1 LEU A 41 -3.431 18.425 -3.688 1.00 0.00 C ATOM 671 CD2 LEU A 41 -3.497 17.672 -1.307 1.00 0.00 C ATOM 0 H LEU A 41 1.029 17.629 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.923 19.791 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.268 17.165 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.967 17.570 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.700 19.550 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.449 18.804 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.886 19.023 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.460 17.386 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.515 18.051 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.525 16.633 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.999 17.734 -0.340 1.00 0.00 H new ATOM 683 N ARG A 42 1.375 19.724 -1.363 1.00 0.00 N ATOM 684 CA ARG A 42 1.964 20.407 -0.217 1.00 0.00 C ATOM 685 C ARG A 42 1.689 21.905 -0.286 1.00 0.00 C ATOM 686 O ARG A 42 1.983 22.644 0.653 1.00 0.00 O ATOM 687 CB ARG A 42 3.473 20.164 -0.182 1.00 0.00 C ATOM 688 CG ARG A 42 4.112 21.063 0.880 1.00 0.00 C ATOM 689 CD ARG A 42 5.513 20.544 1.209 1.00 0.00 C ATOM 690 NE ARG A 42 6.178 21.443 2.146 1.00 0.00 N ATOM 691 CZ ARG A 42 7.503 21.522 2.199 1.00 0.00 C ATOM 692 NH1 ARG A 42 8.232 20.785 1.406 1.00 0.00 N ATOM 693 NH2 ARG A 42 8.076 22.334 3.045 1.00 0.00 N ATOM 0 H ARG A 42 2.021 19.126 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 42 1.512 20.008 0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.678 19.117 0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.908 20.372 -1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.168 22.089 0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.496 21.076 1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.447 19.544 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.101 20.460 0.295 1.00 0.00 H new ATOM 0 HE ARG A 42 5.616 22.021 2.771 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.784 20.149 0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.249 20.845 1.446 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.506 22.909 3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.093 22.394 3.085 1.00 0.00 H new ATOM 707 N LYS A 43 1.122 22.347 -1.404 1.00 0.00 N ATOM 708 CA LYS A 43 0.811 23.760 -1.583 1.00 0.00 C ATOM 709 C LYS A 43 -0.432 24.136 -0.785 1.00 0.00 C ATOM 710 O LYS A 43 -0.836 25.299 -0.757 1.00 0.00 O ATOM 711 CB LYS A 43 0.582 24.064 -3.065 1.00 0.00 C ATOM 712 CG LYS A 43 -0.600 23.240 -3.577 1.00 0.00 C ATOM 713 CD LYS A 43 -0.864 23.583 -5.044 1.00 0.00 C ATOM 714 CE LYS A 43 -2.043 22.755 -5.559 1.00 0.00 C ATOM 715 NZ LYS A 43 -2.106 21.466 -4.813 1.00 0.00 N ATOM 0 H LYS A 43 0.870 21.752 -2.194 1.00 0.00 H new ATOM 0 HA LYS A 43 1.655 24.348 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.385 25.127 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.479 23.829 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.387 22.176 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.487 23.447 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.081 24.646 -5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.025 23.380 -5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.974 23.308 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.930 22.565 -6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.830 20.853 -5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.181 20.993 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.351 21.652 -3.819 1.00 0.00 H new ATOM 729 N ARG A 44 -1.026 23.140 -0.136 1.00 0.00 N ATOM 730 CA ARG A 44 -2.224 23.358 0.671 1.00 0.00 C ATOM 731 C ARG A 44 -2.958 24.619 0.230 1.00 0.00 C ATOM 732 O ARG A 44 -3.165 24.843 -0.962 1.00 0.00 O ATOM 733 CB ARG A 44 -1.840 23.476 2.147 1.00 0.00 C ATOM 734 CG ARG A 44 -0.878 22.344 2.514 1.00 0.00 C ATOM 735 CD ARG A 44 -0.845 22.171 4.033 1.00 0.00 C ATOM 736 NE ARG A 44 0.531 22.030 4.494 1.00 0.00 N ATOM 737 CZ ARG A 44 0.860 22.269 5.759 1.00 0.00 C ATOM 738 NH1 ARG A 44 -0.055 22.634 6.614 1.00 0.00 N ATOM 739 NH2 ARG A 44 2.099 22.137 6.146 1.00 0.00 N ATOM 0 H ARG A 44 -0.699 22.174 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.889 22.506 0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.372 24.442 2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.732 23.427 2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.195 21.416 2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.122 22.568 2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.311 23.031 4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.424 21.293 4.319 1.00 0.00 H new ATOM 0 HE ARG A 44 1.254 21.743 3.834 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.024 22.736 6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.198 22.817 7.585 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.814 21.851 5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.352 22.320 7.117 1.00 0.00 H new ATOM 753 N GLN A 45 -3.349 25.440 1.199 1.00 0.00 N ATOM 754 CA GLN A 45 -4.060 26.677 0.900 1.00 0.00 C ATOM 755 C GLN A 45 -5.273 26.399 0.016 1.00 0.00 C ATOM 756 O GLN A 45 -5.224 26.582 -1.200 1.00 0.00 O ATOM 757 CB GLN A 45 -3.126 27.659 0.189 1.00 0.00 C ATOM 758 CG GLN A 45 -1.748 27.625 0.853 1.00 0.00 C ATOM 759 CD GLN A 45 -1.822 28.250 2.242 1.00 0.00 C ATOM 760 OE1 GLN A 45 -2.510 27.658 3.179 1.00 0.00 O flip ATOM 761 NE2 GLN A 45 -1.237 29.307 2.479 1.00 0.00 N flip ATOM 0 H GLN A 45 -3.187 25.273 2.192 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.400 27.113 1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.040 27.397 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.538 28.667 0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.396 26.596 0.927 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.027 28.165 0.240 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.700 29.768 1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.290 29.722 3.409 1.00 0.00 H new ATOM 770 N PRO A 46 -6.350 25.964 0.610 1.00 0.00 N ATOM 771 CA PRO A 46 -7.609 25.649 -0.127 1.00 0.00 C ATOM 772 C PRO A 46 -8.204 26.889 -0.788 1.00 0.00 C ATOM 773 O PRO A 46 -9.157 26.795 -1.562 1.00 0.00 O ATOM 774 CB PRO A 46 -8.556 25.104 0.952 1.00 0.00 C ATOM 775 CG PRO A 46 -7.703 24.807 2.143 1.00 0.00 C ATOM 776 CD PRO A 46 -6.485 25.720 2.049 1.00 0.00 C ATOM 0 HA PRO A 46 -7.436 24.940 -0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.327 25.834 1.198 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.066 24.206 0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.252 24.988 3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.402 23.760 2.152 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.635 26.648 2.601 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.595 25.245 2.461 1.00 0.00 H new ATOM 784 N ASP A 47 -7.639 28.049 -0.470 1.00 0.00 N ATOM 785 CA ASP A 47 -8.117 29.301 -1.027 1.00 0.00 C ATOM 786 C ASP A 47 -7.845 29.364 -2.520 1.00 0.00 C ATOM 787 O ASP A 47 -7.493 30.412 -3.061 1.00 0.00 O ATOM 788 CB ASP A 47 -7.453 30.485 -0.323 1.00 0.00 C ATOM 789 CG ASP A 47 -5.951 30.474 -0.590 1.00 0.00 C ATOM 790 OD1 ASP A 47 -5.546 29.838 -1.549 1.00 0.00 O ATOM 791 OD2 ASP A 47 -5.231 31.102 0.167 1.00 0.00 O ATOM 0 H ASP A 47 -6.851 28.144 0.170 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.194 29.355 -0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.887 31.420 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.641 30.433 0.749 1.00 0.00 H new ATOM 796 N GLY A 48 -8.011 28.229 -3.172 1.00 0.00 N ATOM 797 CA GLY A 48 -7.786 28.139 -4.609 1.00 0.00 C ATOM 798 C GLY A 48 -8.577 29.211 -5.350 1.00 0.00 C ATOM 799 O GLY A 48 -9.470 29.841 -4.786 1.00 0.00 O ATOM 0 H GLY A 48 -8.301 27.355 -2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.723 28.252 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.080 27.152 -4.966 1.00 0.00 H new ATOM 803 N PRO A 49 -8.258 29.424 -6.597 1.00 0.00 N ATOM 804 CA PRO A 49 -8.945 30.442 -7.443 1.00 0.00 C ATOM 805 C PRO A 49 -10.386 30.049 -7.757 1.00 0.00 C ATOM 806 O PRO A 49 -10.857 30.224 -8.881 1.00 0.00 O ATOM 807 CB PRO A 49 -8.101 30.489 -8.721 1.00 0.00 C ATOM 808 CG PRO A 49 -7.382 29.182 -8.778 1.00 0.00 C ATOM 809 CD PRO A 49 -7.206 28.712 -7.334 1.00 0.00 C ATOM 0 HA PRO A 49 -9.016 31.407 -6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.730 30.629 -9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.398 31.322 -8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.950 28.453 -9.355 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.415 29.294 -9.269 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.321 27.631 -7.249 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.215 28.958 -6.952 1.00 0.00 H new ATOM 817 N LEU A 50 -11.081 29.521 -6.755 1.00 0.00 N ATOM 818 CA LEU A 50 -12.468 29.109 -6.935 1.00 0.00 C ATOM 819 C LEU A 50 -13.407 30.295 -6.737 1.00 0.00 C ATOM 820 O LEU A 50 -14.314 30.523 -7.538 1.00 0.00 O ATOM 821 CB LEU A 50 -12.818 28.003 -5.937 1.00 0.00 C ATOM 822 CG LEU A 50 -11.582 27.139 -5.680 1.00 0.00 C ATOM 823 CD1 LEU A 50 -11.890 26.117 -4.584 1.00 0.00 C ATOM 824 CD2 LEU A 50 -11.198 26.407 -6.967 1.00 0.00 C ATOM 0 H LEU A 50 -10.710 29.369 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.588 28.731 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.170 28.440 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.629 27.389 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.755 27.773 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.009 25.502 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.164 26.638 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.717 25.481 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.317 25.791 -6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.025 25.773 -7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.977 27.135 -7.748 1.00 0.00 H new ATOM 836 N GLU A 51 -13.182 31.048 -5.665 1.00 0.00 N ATOM 837 CA GLU A 51 -14.013 32.211 -5.371 1.00 0.00 C ATOM 838 C GLU A 51 -15.491 31.883 -5.568 1.00 0.00 C ATOM 839 O GLU A 51 -16.339 32.774 -5.556 1.00 0.00 O ATOM 840 CB GLU A 51 -13.622 33.378 -6.281 1.00 0.00 C ATOM 841 CG GLU A 51 -14.279 34.664 -5.774 1.00 0.00 C ATOM 842 CD GLU A 51 -15.387 35.095 -6.729 1.00 0.00 C ATOM 843 OE1 GLU A 51 -15.931 34.234 -7.400 1.00 0.00 O ATOM 844 OE2 GLU A 51 -15.675 36.280 -6.775 1.00 0.00 O ATOM 0 H GLU A 51 -12.437 30.876 -4.990 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.852 32.492 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.538 33.493 -6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.936 33.176 -7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.689 34.504 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.533 35.454 -5.689 1.00 0.00 H new ATOM 851 N HIS A 52 -15.791 30.601 -5.748 1.00 0.00 N ATOM 852 CA HIS A 52 -17.171 30.169 -5.945 1.00 0.00 C ATOM 853 C HIS A 52 -17.848 31.003 -7.027 1.00 0.00 C ATOM 854 O HIS A 52 -17.230 31.887 -7.622 1.00 0.00 O ATOM 855 CB HIS A 52 -17.949 30.300 -4.634 1.00 0.00 C ATOM 856 CG HIS A 52 -16.989 30.256 -3.476 1.00 0.00 C ATOM 857 ND1 HIS A 52 -16.759 31.355 -2.664 1.00 0.00 N ATOM 858 CD2 HIS A 52 -16.194 29.251 -2.982 1.00 0.00 C ATOM 859 CE1 HIS A 52 -15.858 30.990 -1.734 1.00 0.00 C ATOM 860 NE2 HIS A 52 -15.480 29.718 -1.882 1.00 0.00 N ATOM 0 H HIS A 52 -15.103 29.848 -5.762 1.00 0.00 H new ATOM 0 HA HIS A 52 -17.163 29.126 -6.262 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -18.508 31.236 -4.622 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -18.677 29.493 -4.548 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -16.132 28.251 -3.385 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -15.486 31.646 -0.961 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -14.812 29.200 -1.312 1.00 0.00 H new ATOM 869 N HIS A 53 -19.122 30.717 -7.280 1.00 0.00 N ATOM 870 CA HIS A 53 -19.874 31.446 -8.296 1.00 0.00 C ATOM 871 C HIS A 53 -21.263 31.808 -7.781 1.00 0.00 C ATOM 872 O HIS A 53 -22.033 32.484 -8.464 1.00 0.00 O ATOM 873 CB HIS A 53 -20.003 30.597 -9.561 1.00 0.00 C ATOM 874 CG HIS A 53 -21.157 31.097 -10.387 1.00 0.00 C ATOM 875 ND1 HIS A 53 -21.167 32.362 -10.953 1.00 0.00 N ATOM 876 CD2 HIS A 53 -22.347 30.514 -10.750 1.00 0.00 C ATOM 877 CE1 HIS A 53 -22.328 32.498 -11.621 1.00 0.00 C ATOM 878 NE2 HIS A 53 -23.083 31.401 -11.529 1.00 0.00 N ATOM 0 H HIS A 53 -19.652 29.991 -6.799 1.00 0.00 H new ATOM 0 HA HIS A 53 -19.335 32.364 -8.528 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -19.080 30.645 -10.139 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -20.158 29.551 -9.295 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -22.663 29.519 -10.473 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -22.614 33.386 -12.165 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -24.003 31.246 -11.942 1.00 0.00 H new ATOM 887 N HIS A 54 -21.580 31.352 -6.573 1.00 0.00 N ATOM 888 CA HIS A 54 -22.881 31.631 -5.976 1.00 0.00 C ATOM 889 C HIS A 54 -23.190 33.124 -6.032 1.00 0.00 C ATOM 890 O HIS A 54 -24.353 33.526 -6.039 1.00 0.00 O ATOM 891 CB HIS A 54 -22.899 31.158 -4.520 1.00 0.00 C ATOM 892 CG HIS A 54 -23.626 29.844 -4.426 1.00 0.00 C ATOM 893 ND1 HIS A 54 -24.701 29.532 -5.243 1.00 0.00 N ATOM 894 CD2 HIS A 54 -23.441 28.751 -3.616 1.00 0.00 C ATOM 895 CE1 HIS A 54 -25.120 28.298 -4.909 1.00 0.00 C ATOM 896 NE2 HIS A 54 -24.386 27.776 -3.923 1.00 0.00 N ATOM 0 H HIS A 54 -20.958 30.791 -5.991 1.00 0.00 H new ATOM 0 HA HIS A 54 -23.642 31.094 -6.543 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -21.880 31.049 -4.150 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.388 31.902 -3.891 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.679 28.661 -2.856 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -25.949 27.791 -5.381 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -24.494 26.860 -3.488 1.00 0.00 H new ATOM 905 N HIS A 55 -22.143 33.943 -6.071 1.00 0.00 N ATOM 906 CA HIS A 55 -22.319 35.390 -6.125 1.00 0.00 C ATOM 907 C HIS A 55 -21.582 35.978 -7.323 1.00 0.00 C ATOM 908 O HIS A 55 -20.726 35.325 -7.921 1.00 0.00 O ATOM 909 CB HIS A 55 -21.794 36.030 -4.839 1.00 0.00 C ATOM 910 CG HIS A 55 -22.889 36.061 -3.809 1.00 0.00 C ATOM 911 ND1 HIS A 55 -23.168 37.194 -3.060 1.00 0.00 N ATOM 912 CD2 HIS A 55 -23.782 35.106 -3.392 1.00 0.00 C ATOM 913 CE1 HIS A 55 -24.190 36.894 -2.239 1.00 0.00 C ATOM 914 NE2 HIS A 55 -24.603 35.634 -2.400 1.00 0.00 N ATOM 0 H HIS A 55 -21.171 33.632 -6.066 1.00 0.00 H new ATOM 0 HA HIS A 55 -23.383 35.601 -6.228 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -20.941 35.466 -4.461 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -21.442 37.042 -5.041 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -23.839 34.098 -3.775 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -24.624 37.588 -1.535 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -25.358 35.161 -1.903 1.00 0.00 H new ATOM 923 N HIS A 56 -21.918 37.217 -7.669 1.00 0.00 N ATOM 924 CA HIS A 56 -21.281 37.886 -8.797 1.00 0.00 C ATOM 925 C HIS A 56 -20.090 38.714 -8.325 1.00 0.00 C ATOM 926 O HIS A 56 -19.749 38.708 -7.142 1.00 0.00 O ATOM 927 CB HIS A 56 -22.287 38.794 -9.503 1.00 0.00 C ATOM 928 CG HIS A 56 -23.086 37.989 -10.491 1.00 0.00 C ATOM 929 ND1 HIS A 56 -22.661 37.788 -11.795 1.00 0.00 N ATOM 930 CD2 HIS A 56 -24.284 37.328 -10.382 1.00 0.00 C ATOM 931 CE1 HIS A 56 -23.589 37.035 -12.413 1.00 0.00 C ATOM 932 NE2 HIS A 56 -24.600 36.727 -11.597 1.00 0.00 N ATOM 0 H HIS A 56 -22.623 37.775 -7.188 1.00 0.00 H new ATOM 0 HA HIS A 56 -20.928 37.125 -9.494 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -22.951 39.255 -8.772 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -21.766 39.603 -10.015 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -24.890 37.281 -9.489 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -23.524 36.718 -13.443 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -25.426 36.171 -11.817 1.00 0.00 H new ATOM 941 N HIS A 57 -19.463 39.424 -9.256 1.00 0.00 N ATOM 942 CA HIS A 57 -18.310 40.253 -8.921 1.00 0.00 C ATOM 943 C HIS A 57 -17.809 40.998 -10.155 1.00 0.00 C ATOM 944 O HIS A 57 -16.606 41.197 -10.325 1.00 0.00 O ATOM 945 CB HIS A 57 -17.187 39.383 -8.357 1.00 0.00 C ATOM 946 CG HIS A 57 -16.221 40.246 -7.592 1.00 0.00 C ATOM 947 ND1 HIS A 57 -15.087 40.784 -8.179 1.00 0.00 N ATOM 948 CD2 HIS A 57 -16.208 40.674 -6.287 1.00 0.00 C ATOM 949 CE1 HIS A 57 -14.443 41.499 -7.237 1.00 0.00 C ATOM 950 NE2 HIS A 57 -15.085 41.465 -6.066 1.00 0.00 N ATOM 0 H HIS A 57 -19.730 39.443 -10.240 1.00 0.00 H new ATOM 0 HA HIS A 57 -18.616 40.981 -8.170 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -17.601 38.615 -7.704 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -16.669 38.869 -9.167 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -14.794 40.661 -9.148 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -16.955 40.433 -5.546 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.521 42.034 -7.407 1.00 0.00 H new TER 959 HIS A 57