USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 470 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 26 GLN :FLIP amide:sc= -5.39! C(o=-8.7!,f=-5.3!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= 0.0853 F(o=-8.7!,f=-5.3) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.232 K(o=0.58,f=-1.5) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.347 K(o=0.58,f=-1) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.456 K(o=-0.71,f=-6.1!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.259 F(o=-1.8,f=-0.71) USER MOD Single : A 1 VAL N :NH3+ -158:sc= -5.14 (180deg=-6.64) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= -0.07 (180deg=-0.52) USER MOD Single : A 9 MET CE :methyl -178:sc= -0.479 (180deg=-0.499) USER MOD Single : A 11 ASN : amide:sc= 0.332 X(o=0.33,f=-0.03) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0443 X(o=-0.044,f=-0.053) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0987 F(o=-1.7,f=-0.099) USER MOD Single : A 25 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.16) USER MOD Single : A 27 LYS NZ :NH3+ -130:sc= 1.38 (180deg=-3.37!) USER MOD Single : A 33 SER OG : rot 85:sc= 1.26 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 102:sc= 1.14 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 133:sc= 0.736 (180deg=0.187) USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= -0.0569 (180deg=-0.599) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.123 14.772 3.895 1.00 0.00 N ATOM 2 CA VAL A 1 1.920 14.927 5.360 1.00 0.00 C ATOM 3 C VAL A 1 1.785 16.426 5.673 1.00 0.00 C ATOM 4 O VAL A 1 1.121 17.146 4.921 1.00 0.00 O ATOM 5 CB VAL A 1 3.104 14.260 6.097 1.00 0.00 C ATOM 6 CG1 VAL A 1 3.231 12.799 5.627 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.422 15.001 5.799 1.00 0.00 C ATOM 0 H1 VAL A 1 1.850 13.811 3.606 1.00 0.00 H new ATOM 0 H2 VAL A 1 1.537 15.465 3.388 1.00 0.00 H new ATOM 0 H3 VAL A 1 3.125 14.931 3.665 1.00 0.00 H new ATOM 0 HA VAL A 1 1.009 14.435 5.701 1.00 0.00 H new ATOM 0 HB VAL A 1 2.915 14.300 7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.064 12.322 6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 1 2.309 12.263 5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.409 12.777 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.241 14.514 6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.618 14.978 4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.340 16.036 6.131 1.00 0.00 H new ATOM 17 N ASP A 2 2.401 16.897 6.765 1.00 0.00 N ATOM 18 CA ASP A 2 2.319 18.314 7.123 1.00 0.00 C ATOM 19 C ASP A 2 2.980 19.168 6.034 1.00 0.00 C ATOM 20 O ASP A 2 2.289 19.817 5.244 1.00 0.00 O ATOM 21 CB ASP A 2 2.999 18.561 8.482 1.00 0.00 C ATOM 22 CG ASP A 2 2.272 17.793 9.591 1.00 0.00 C ATOM 23 OD1 ASP A 2 1.125 18.117 9.858 1.00 0.00 O ATOM 24 OD2 ASP A 2 2.874 16.896 10.161 1.00 0.00 O ATOM 0 H ASP A 2 2.953 16.326 7.405 1.00 0.00 H new ATOM 0 HA ASP A 2 1.270 18.597 7.204 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.042 18.246 8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.997 19.627 8.708 1.00 0.00 H new ATOM 29 N ASN A 3 4.317 19.148 5.995 1.00 0.00 N ATOM 30 CA ASN A 3 5.077 19.906 4.993 1.00 0.00 C ATOM 31 C ASN A 3 5.321 19.062 3.736 1.00 0.00 C ATOM 32 O ASN A 3 5.354 19.590 2.622 1.00 0.00 O ATOM 33 CB ASN A 3 6.425 20.347 5.585 1.00 0.00 C ATOM 34 CG ASN A 3 6.205 21.239 6.808 1.00 0.00 C ATOM 35 OD1 ASN A 3 6.692 20.934 7.896 1.00 0.00 O ATOM 36 ND2 ASN A 3 5.505 22.333 6.690 1.00 0.00 N ATOM 0 H ASN A 3 4.895 18.616 6.645 1.00 0.00 H new ATOM 0 HA ASN A 3 4.493 20.783 4.714 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.010 19.471 5.866 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.001 20.886 4.833 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.361 22.936 7.500 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.101 22.585 5.788 1.00 0.00 H new ATOM 43 N LYS A 4 5.517 17.755 3.939 1.00 0.00 N ATOM 44 CA LYS A 4 5.789 16.824 2.836 1.00 0.00 C ATOM 45 C LYS A 4 4.524 16.553 1.998 1.00 0.00 C ATOM 46 O LYS A 4 3.592 17.363 1.986 1.00 0.00 O ATOM 47 CB LYS A 4 6.368 15.508 3.405 1.00 0.00 C ATOM 48 CG LYS A 4 7.600 15.055 2.593 1.00 0.00 C ATOM 49 CD LYS A 4 8.896 15.431 3.333 1.00 0.00 C ATOM 50 CE LYS A 4 9.216 14.379 4.407 1.00 0.00 C ATOM 51 NZ LYS A 4 10.433 14.796 5.161 1.00 0.00 N ATOM 0 H LYS A 4 5.492 17.316 4.859 1.00 0.00 H new ATOM 0 HA LYS A 4 6.521 17.280 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.647 15.650 4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.605 14.730 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.563 13.977 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.587 15.522 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.721 15.501 2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.788 16.412 3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.372 14.270 5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.378 13.406 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.651 14.085 5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.236 14.878 4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.262 15.715 5.616 1.00 0.00 H new ATOM 65 N PHE A 5 4.526 15.418 1.280 1.00 0.00 N ATOM 66 CA PHE A 5 3.410 15.023 0.400 1.00 0.00 C ATOM 67 C PHE A 5 2.373 14.170 1.129 1.00 0.00 C ATOM 68 O PHE A 5 2.686 13.085 1.611 1.00 0.00 O ATOM 69 CB PHE A 5 3.948 14.230 -0.813 1.00 0.00 C ATOM 70 CG PHE A 5 5.184 13.439 -0.419 1.00 0.00 C ATOM 71 CD1 PHE A 5 6.454 14.024 -0.538 1.00 0.00 C ATOM 72 CD2 PHE A 5 5.062 12.138 0.087 1.00 0.00 C ATOM 73 CE1 PHE A 5 7.592 13.311 -0.150 1.00 0.00 C ATOM 74 CE2 PHE A 5 6.202 11.425 0.471 1.00 0.00 C ATOM 75 CZ PHE A 5 7.466 12.012 0.355 1.00 0.00 C ATOM 0 H PHE A 5 5.297 14.750 1.292 1.00 0.00 H new ATOM 0 HA PHE A 5 2.924 15.941 0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.178 13.554 -1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.190 14.915 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.552 15.026 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.086 11.685 0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.569 13.763 -0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.106 10.421 0.857 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.346 11.462 0.655 1.00 0.00 H new ATOM 85 N ASN A 6 1.131 14.673 1.189 1.00 0.00 N ATOM 86 CA ASN A 6 0.023 13.952 1.834 1.00 0.00 C ATOM 87 C ASN A 6 -0.761 13.113 0.814 1.00 0.00 C ATOM 88 O ASN A 6 -1.229 12.008 1.122 1.00 0.00 O ATOM 89 CB ASN A 6 -0.928 14.946 2.513 1.00 0.00 C ATOM 90 CG ASN A 6 -1.822 14.208 3.505 1.00 0.00 C ATOM 91 OD1 ASN A 6 -1.443 14.014 4.660 1.00 0.00 O ATOM 92 ND2 ASN A 6 -2.987 13.771 3.121 1.00 0.00 N ATOM 0 H ASN A 6 0.868 15.578 0.798 1.00 0.00 H new ATOM 0 HA ASN A 6 0.450 13.282 2.581 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.356 15.717 3.029 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.539 15.450 1.764 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.585 13.268 3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.302 13.931 2.164 1.00 0.00 H new ATOM 99 N LYS A 7 -0.928 13.677 -0.389 1.00 0.00 N ATOM 100 CA LYS A 7 -1.687 13.026 -1.465 1.00 0.00 C ATOM 101 C LYS A 7 -1.144 11.631 -1.780 1.00 0.00 C ATOM 102 O LYS A 7 -1.920 10.691 -1.978 1.00 0.00 O ATOM 103 CB LYS A 7 -1.630 13.887 -2.742 1.00 0.00 C ATOM 104 CG LYS A 7 -2.157 15.312 -2.473 1.00 0.00 C ATOM 105 CD LYS A 7 -3.653 15.273 -2.116 1.00 0.00 C ATOM 106 CE LYS A 7 -4.212 16.702 -2.065 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.202 17.294 -3.434 1.00 0.00 N ATOM 0 H LYS A 7 -0.545 14.588 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.717 12.924 -1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.603 13.938 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.223 13.418 -3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.594 15.767 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.003 15.936 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.198 14.686 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.794 14.783 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.228 16.692 -1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.614 17.313 -1.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.879 18.082 -3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.248 17.645 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.472 16.568 -4.128 1.00 0.00 H new ATOM 121 N GLU A 8 0.185 11.507 -1.832 1.00 0.00 N ATOM 122 CA GLU A 8 0.826 10.223 -2.135 1.00 0.00 C ATOM 123 C GLU A 8 0.411 9.151 -1.122 1.00 0.00 C ATOM 124 O GLU A 8 0.199 7.988 -1.487 1.00 0.00 O ATOM 125 CB GLU A 8 2.352 10.395 -2.118 1.00 0.00 C ATOM 126 CG GLU A 8 3.040 9.098 -2.578 1.00 0.00 C ATOM 127 CD GLU A 8 4.563 9.254 -2.514 1.00 0.00 C ATOM 128 OE1 GLU A 8 5.082 9.395 -1.416 1.00 0.00 O ATOM 129 OE2 GLU A 8 5.188 9.232 -3.562 1.00 0.00 O ATOM 0 H GLU A 8 0.836 12.275 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 8 0.504 9.899 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.639 11.219 -2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.685 10.655 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.726 8.267 -1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.734 8.857 -3.596 1.00 0.00 H new ATOM 136 N MET A 9 0.291 9.556 0.146 1.00 0.00 N ATOM 137 CA MET A 9 -0.103 8.632 1.209 1.00 0.00 C ATOM 138 C MET A 9 -1.524 8.123 0.975 1.00 0.00 C ATOM 139 O MET A 9 -1.767 6.914 1.015 1.00 0.00 O ATOM 140 CB MET A 9 -0.018 9.337 2.582 1.00 0.00 C ATOM 141 CG MET A 9 1.070 8.695 3.464 1.00 0.00 C ATOM 142 SD MET A 9 2.136 9.991 4.145 1.00 0.00 S ATOM 143 CE MET A 9 3.096 10.309 2.643 1.00 0.00 C ATOM 0 H MET A 9 0.460 10.512 0.458 1.00 0.00 H new ATOM 0 HA MET A 9 0.579 7.782 1.200 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.202 10.395 2.439 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.983 9.277 3.086 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.610 8.126 4.272 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.662 7.993 2.877 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.853 11.066 2.848 1.00 0.00 H new ATOM 0 HE2 MET A 9 3.582 9.388 2.320 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.432 10.665 1.855 1.00 0.00 H new ATOM 153 N ARG A 10 -2.458 9.052 0.739 1.00 0.00 N ATOM 154 CA ARG A 10 -3.861 8.684 0.511 1.00 0.00 C ATOM 155 C ARG A 10 -4.007 7.774 -0.712 1.00 0.00 C ATOM 156 O ARG A 10 -4.842 6.861 -0.715 1.00 0.00 O ATOM 157 CB ARG A 10 -4.723 9.941 0.313 1.00 0.00 C ATOM 158 CG ARG A 10 -4.709 10.800 1.591 1.00 0.00 C ATOM 159 CD ARG A 10 -5.822 11.857 1.531 1.00 0.00 C ATOM 160 NE ARG A 10 -5.741 12.632 0.290 1.00 0.00 N ATOM 161 CZ ARG A 10 -6.624 13.593 -0.004 1.00 0.00 C ATOM 162 NH1 ARG A 10 -7.584 13.894 0.829 1.00 0.00 N ATOM 163 NH2 ARG A 10 -6.523 14.239 -1.130 1.00 0.00 N ATOM 0 H ARG A 10 -2.271 10.054 0.701 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.203 8.142 1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.345 10.521 -0.529 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.746 9.655 0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.847 10.165 2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.740 11.287 1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.795 11.370 1.598 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.741 12.526 2.388 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.989 12.433 -0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.666 13.394 1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.251 14.629 0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.773 14.011 -1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.194 14.973 -1.359 1.00 0.00 H new ATOM 177 N ASN A 11 -3.202 8.035 -1.748 1.00 0.00 N ATOM 178 CA ASN A 11 -3.258 7.243 -2.981 1.00 0.00 C ATOM 179 C ASN A 11 -2.918 5.771 -2.724 1.00 0.00 C ATOM 180 O ASN A 11 -3.748 4.891 -2.973 1.00 0.00 O ATOM 181 CB ASN A 11 -2.292 7.825 -4.027 1.00 0.00 C ATOM 182 CG ASN A 11 -2.967 8.958 -4.802 1.00 0.00 C ATOM 183 OD1 ASN A 11 -3.063 8.904 -6.027 1.00 0.00 O ATOM 184 ND2 ASN A 11 -3.441 9.987 -4.157 1.00 0.00 N ATOM 0 H ASN A 11 -2.509 8.783 -1.758 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.279 7.291 -3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.394 8.197 -3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.977 7.042 -4.716 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.891 10.746 -4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.362 10.033 -3.141 1.00 0.00 H new ATOM 191 N ALA A 12 -1.700 5.504 -2.235 1.00 0.00 N ATOM 192 CA ALA A 12 -1.278 4.122 -1.969 1.00 0.00 C ATOM 193 C ALA A 12 -2.124 3.485 -0.857 1.00 0.00 C ATOM 194 O ALA A 12 -2.355 2.276 -0.873 1.00 0.00 O ATOM 195 CB ALA A 12 0.214 4.070 -1.601 1.00 0.00 C ATOM 0 H ALA A 12 -1.000 6.213 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.432 3.548 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.505 3.038 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.806 4.466 -2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.390 4.669 -0.708 1.00 0.00 H new ATOM 201 N TYR A 13 -2.584 4.302 0.102 1.00 0.00 N ATOM 202 CA TYR A 13 -3.406 3.803 1.219 1.00 0.00 C ATOM 203 C TYR A 13 -4.653 3.067 0.701 1.00 0.00 C ATOM 204 O TYR A 13 -4.849 1.877 0.978 1.00 0.00 O ATOM 205 CB TYR A 13 -3.832 4.997 2.102 1.00 0.00 C ATOM 206 CG TYR A 13 -4.682 4.537 3.277 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.060 4.326 3.111 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.096 4.338 4.535 1.00 0.00 C ATOM 209 CE1 TYR A 13 -6.844 3.916 4.196 1.00 0.00 C ATOM 210 CE2 TYR A 13 -4.882 3.927 5.619 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.254 3.715 5.449 1.00 0.00 C ATOM 212 OH TYR A 13 -7.028 3.310 6.518 1.00 0.00 O ATOM 0 H TYR A 13 -2.403 5.306 0.129 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.816 3.097 1.803 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.946 5.514 2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.393 5.714 1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.516 4.480 2.144 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.037 4.502 4.668 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.904 3.755 4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.428 3.774 6.587 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.464 3.216 7.314 1.00 0.00 H new ATOM 222 N TRP A 14 -5.483 3.793 -0.048 1.00 0.00 N ATOM 223 CA TRP A 14 -6.715 3.232 -0.604 1.00 0.00 C ATOM 224 C TRP A 14 -6.424 2.191 -1.690 1.00 0.00 C ATOM 225 O TRP A 14 -7.088 1.151 -1.751 1.00 0.00 O ATOM 226 CB TRP A 14 -7.563 4.367 -1.184 1.00 0.00 C ATOM 227 CG TRP A 14 -8.917 3.856 -1.579 1.00 0.00 C ATOM 228 CD1 TRP A 14 -9.954 3.662 -0.730 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.399 3.476 -2.903 1.00 0.00 C ATOM 230 NE1 TRP A 14 -11.037 3.188 -1.446 1.00 0.00 N ATOM 231 CE2 TRP A 14 -10.746 3.055 -2.788 1.00 0.00 C ATOM 232 CE3 TRP A 14 -8.805 3.455 -4.178 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -11.476 2.630 -3.898 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -9.538 3.026 -5.298 1.00 0.00 C ATOM 235 CH2 TRP A 14 -10.871 2.615 -5.158 1.00 0.00 C ATOM 0 H TRP A 14 -5.324 4.773 -0.284 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.256 2.728 0.197 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.668 5.164 -0.448 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.062 4.798 -2.051 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -9.937 3.848 0.334 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.942 2.964 -1.032 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -7.779 3.771 -4.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -12.503 2.314 -3.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -9.072 3.013 -6.272 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.430 2.287 -6.022 1.00 0.00 H new ATOM 246 N GLU A 15 -5.447 2.491 -2.558 1.00 0.00 N ATOM 247 CA GLU A 15 -5.098 1.587 -3.658 1.00 0.00 C ATOM 248 C GLU A 15 -4.706 0.202 -3.136 1.00 0.00 C ATOM 249 O GLU A 15 -5.187 -0.810 -3.648 1.00 0.00 O ATOM 250 CB GLU A 15 -3.945 2.185 -4.481 1.00 0.00 C ATOM 251 CG GLU A 15 -3.704 1.344 -5.753 1.00 0.00 C ATOM 252 CD GLU A 15 -4.896 1.428 -6.724 1.00 0.00 C ATOM 253 OE1 GLU A 15 -5.522 2.478 -6.802 1.00 0.00 O ATOM 254 OE2 GLU A 15 -5.165 0.435 -7.381 1.00 0.00 O ATOM 0 H GLU A 15 -4.890 3.345 -2.519 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.976 1.472 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.180 3.213 -4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.037 2.215 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.801 1.692 -6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.533 0.304 -5.475 1.00 0.00 H new ATOM 261 N ILE A 16 -3.849 0.159 -2.112 1.00 0.00 N ATOM 262 CA ILE A 16 -3.425 -1.118 -1.529 1.00 0.00 C ATOM 263 C ILE A 16 -4.621 -1.835 -0.898 1.00 0.00 C ATOM 264 O ILE A 16 -4.811 -3.039 -1.101 1.00 0.00 O ATOM 265 CB ILE A 16 -2.321 -0.882 -0.475 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.044 -0.372 -1.171 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.007 -2.192 0.274 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.061 0.175 -0.130 1.00 0.00 C ATOM 0 H ILE A 16 -3.439 0.983 -1.673 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.021 -1.749 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.672 -0.139 0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.578 -1.182 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.298 0.408 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.227 -2.010 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.907 -2.549 0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.665 -2.944 -0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.838 0.533 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.526 0.998 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.205 -0.617 0.570 1.00 0.00 H new ATOM 280 N ALA A 17 -5.419 -1.083 -0.131 1.00 0.00 N ATOM 281 CA ALA A 17 -6.593 -1.645 0.540 1.00 0.00 C ATOM 282 C ALA A 17 -7.572 -2.259 -0.467 1.00 0.00 C ATOM 283 O ALA A 17 -8.356 -3.145 -0.113 1.00 0.00 O ATOM 284 CB ALA A 17 -7.306 -0.549 1.342 1.00 0.00 C ATOM 0 H ALA A 17 -5.273 -0.088 0.039 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.252 -2.434 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.179 -0.972 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.624 -0.143 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.623 0.247 0.668 1.00 0.00 H new ATOM 290 N LEU A 18 -7.530 -1.772 -1.713 1.00 0.00 N ATOM 291 CA LEU A 18 -8.425 -2.262 -2.766 1.00 0.00 C ATOM 292 C LEU A 18 -8.269 -3.773 -2.988 1.00 0.00 C ATOM 293 O LEU A 18 -9.260 -4.462 -3.246 1.00 0.00 O ATOM 294 CB LEU A 18 -8.145 -1.514 -4.082 1.00 0.00 C ATOM 295 CG LEU A 18 -9.219 -1.849 -5.137 1.00 0.00 C ATOM 296 CD1 LEU A 18 -10.568 -1.227 -4.736 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.786 -1.287 -6.500 1.00 0.00 C ATOM 0 H LEU A 18 -6.887 -1.040 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.449 -2.074 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.130 -0.439 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.160 -1.787 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.330 -2.931 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.319 -1.470 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.880 -1.625 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.463 -0.144 -4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.543 -1.522 -7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.671 -0.205 -6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.836 -1.734 -6.793 1.00 0.00 H new ATOM 309 N LEU A 19 -7.031 -4.286 -2.893 1.00 0.00 N ATOM 310 CA LEU A 19 -6.792 -5.722 -3.101 1.00 0.00 C ATOM 311 C LEU A 19 -7.324 -6.529 -1.902 1.00 0.00 C ATOM 312 O LEU A 19 -6.890 -6.306 -0.770 1.00 0.00 O ATOM 313 CB LEU A 19 -5.286 -5.990 -3.275 1.00 0.00 C ATOM 314 CG LEU A 19 -4.701 -5.311 -4.552 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.730 -5.230 -5.693 1.00 0.00 C ATOM 316 CD2 LEU A 19 -4.200 -3.898 -4.224 1.00 0.00 C ATOM 0 H LEU A 19 -6.197 -3.740 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.318 -6.033 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.752 -5.626 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.116 -7.065 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.872 -5.933 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.275 -4.750 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.053 -6.235 -5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.591 -4.648 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.795 -3.437 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.028 -3.296 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.421 -3.956 -3.464 1.00 0.00 H new ATOM 328 N PRO A 20 -8.264 -7.443 -2.124 1.00 0.00 N ATOM 329 CA PRO A 20 -8.886 -8.278 -1.041 1.00 0.00 C ATOM 330 C PRO A 20 -8.166 -9.601 -0.728 1.00 0.00 C ATOM 331 O PRO A 20 -8.387 -10.176 0.342 1.00 0.00 O ATOM 332 CB PRO A 20 -10.265 -8.564 -1.628 1.00 0.00 C ATOM 333 CG PRO A 20 -10.002 -8.749 -3.086 1.00 0.00 C ATOM 334 CD PRO A 20 -8.854 -7.795 -3.439 1.00 0.00 C ATOM 0 HA PRO A 20 -8.863 -7.757 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.711 -9.455 -1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.955 -7.740 -1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.731 -9.782 -3.304 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.891 -8.522 -3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.122 -8.274 -4.090 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.216 -6.911 -3.964 1.00 0.00 H new ATOM 342 N ASN A 21 -7.357 -10.106 -1.669 1.00 0.00 N ATOM 343 CA ASN A 21 -6.680 -11.397 -1.485 1.00 0.00 C ATOM 344 C ASN A 21 -5.380 -11.285 -0.688 1.00 0.00 C ATOM 345 O ASN A 21 -4.750 -12.308 -0.401 1.00 0.00 O ATOM 346 CB ASN A 21 -6.404 -12.030 -2.859 1.00 0.00 C ATOM 347 CG ASN A 21 -5.581 -11.090 -3.741 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.137 -10.031 -3.292 1.00 0.00 O ATOM 349 ND2 ASN A 21 -5.364 -11.413 -4.984 1.00 0.00 N ATOM 0 H ASN A 21 -7.157 -9.646 -2.557 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.348 -12.031 -0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.871 -12.972 -2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.348 -12.263 -3.352 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.826 -10.790 -5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.732 -12.289 -5.355 1.00 0.00 H new ATOM 356 N LEU A 22 -4.986 -10.066 -0.306 1.00 0.00 N ATOM 357 CA LEU A 22 -3.763 -9.902 0.480 1.00 0.00 C ATOM 358 C LEU A 22 -4.004 -10.385 1.901 1.00 0.00 C ATOM 359 O LEU A 22 -4.994 -10.000 2.532 1.00 0.00 O ATOM 360 CB LEU A 22 -3.301 -8.439 0.521 1.00 0.00 C ATOM 361 CG LEU A 22 -2.963 -7.939 -0.886 1.00 0.00 C ATOM 362 CD1 LEU A 22 -2.845 -6.409 -0.870 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.622 -8.533 -1.334 1.00 0.00 C ATOM 0 H LEU A 22 -5.482 -9.201 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.981 -10.492 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.084 -7.817 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.427 -8.346 1.165 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.751 -8.244 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.604 -6.052 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.791 -5.974 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.055 -6.112 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.383 -8.176 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.838 -8.225 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.691 -9.621 -1.343 1.00 0.00 H new ATOM 375 N ASN A 23 -3.092 -11.233 2.391 1.00 0.00 N ATOM 376 CA ASN A 23 -3.194 -11.782 3.754 1.00 0.00 C ATOM 377 C ASN A 23 -3.432 -10.657 4.771 1.00 0.00 C ATOM 378 O ASN A 23 -2.968 -9.533 4.573 1.00 0.00 O ATOM 379 CB ASN A 23 -1.915 -12.545 4.113 1.00 0.00 C ATOM 380 CG ASN A 23 -2.109 -13.317 5.416 1.00 0.00 C ATOM 381 OD1 ASN A 23 -2.970 -14.194 5.500 1.00 0.00 O ATOM 382 ND2 ASN A 23 -1.353 -13.047 6.442 1.00 0.00 N ATOM 0 H ASN A 23 -2.277 -11.555 1.869 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.040 -12.468 3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.656 -13.234 3.309 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.084 -11.848 4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.474 -13.562 7.314 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.640 -12.321 6.373 1.00 0.00 H new ATOM 389 N ASN A 24 -4.186 -10.966 5.839 1.00 0.00 N ATOM 390 CA ASN A 24 -4.537 -9.977 6.881 1.00 0.00 C ATOM 391 C ASN A 24 -3.326 -9.164 7.370 1.00 0.00 C ATOM 392 O ASN A 24 -3.424 -7.945 7.537 1.00 0.00 O ATOM 393 CB ASN A 24 -5.179 -10.697 8.079 1.00 0.00 C ATOM 394 CG ASN A 24 -6.504 -11.368 7.688 1.00 0.00 C ATOM 395 OD1 ASN A 24 -6.936 -11.316 6.455 1.00 0.00 O flip ATOM 396 ND2 ASN A 24 -7.166 -11.960 8.540 1.00 0.00 N flip ATOM 0 H ASN A 24 -4.568 -11.897 6.007 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.237 -9.275 6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.490 -11.448 8.466 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.355 -9.982 8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.834 -12.004 9.504 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.046 -12.407 8.283 1.00 0.00 H new ATOM 403 N GLN A 25 -2.198 -9.839 7.590 1.00 0.00 N ATOM 404 CA GLN A 25 -0.984 -9.157 8.050 1.00 0.00 C ATOM 405 C GLN A 25 -0.417 -8.255 6.956 1.00 0.00 C ATOM 406 O GLN A 25 -0.017 -7.121 7.222 1.00 0.00 O ATOM 407 CB GLN A 25 0.087 -10.183 8.450 1.00 0.00 C ATOM 408 CG GLN A 25 -0.389 -11.022 9.643 1.00 0.00 C ATOM 409 CD GLN A 25 -0.642 -10.136 10.864 1.00 0.00 C ATOM 410 OE1 GLN A 25 0.242 -9.390 11.289 1.00 0.00 O ATOM 411 NE2 GLN A 25 -1.801 -10.175 11.460 1.00 0.00 N ATOM 0 H GLN A 25 -2.097 -10.846 7.460 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.254 -8.549 8.913 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.308 -10.835 7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.013 -9.669 8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.303 -11.553 9.378 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.360 -11.777 9.884 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.534 -10.792 11.110 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.975 -9.589 12.276 1.00 0.00 H new ATOM 420 N GLN A 26 -0.372 -8.785 5.733 1.00 0.00 N ATOM 421 CA GLN A 26 0.172 -8.056 4.583 1.00 0.00 C ATOM 422 C GLN A 26 -0.590 -6.753 4.310 1.00 0.00 C ATOM 423 O GLN A 26 0.021 -5.745 3.944 1.00 0.00 O ATOM 424 CB GLN A 26 0.130 -8.956 3.336 1.00 0.00 C ATOM 425 CG GLN A 26 1.074 -10.158 3.530 1.00 0.00 C ATOM 426 CD GLN A 26 1.001 -11.110 2.334 1.00 0.00 C ATOM 427 OE1 GLN A 26 -0.161 -11.450 1.842 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 2.031 -11.563 1.843 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.708 -9.722 5.511 1.00 0.00 H new ATOM 0 HA GLN A 26 1.202 -7.788 4.818 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.888 -9.305 3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.427 -8.387 2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.097 -9.805 3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.806 -10.692 4.442 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.938 -11.298 2.227 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.980 -12.204 1.052 1.00 0.00 H new ATOM 437 N LYS A 27 -1.917 -6.781 4.480 1.00 0.00 N ATOM 438 CA LYS A 27 -2.745 -5.591 4.235 1.00 0.00 C ATOM 439 C LYS A 27 -2.295 -4.418 5.109 1.00 0.00 C ATOM 440 O LYS A 27 -1.983 -3.337 4.603 1.00 0.00 O ATOM 441 CB LYS A 27 -4.219 -5.909 4.533 1.00 0.00 C ATOM 442 CG LYS A 27 -4.750 -6.937 3.527 1.00 0.00 C ATOM 443 CD LYS A 27 -6.185 -7.347 3.907 1.00 0.00 C ATOM 444 CE LYS A 27 -7.143 -6.999 2.766 1.00 0.00 C ATOM 445 NZ LYS A 27 -6.900 -7.920 1.615 1.00 0.00 N ATOM 0 H LYS A 27 -2.437 -7.604 4.783 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.631 -5.310 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.318 -6.296 5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.814 -4.997 4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.737 -6.516 2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.103 -7.814 3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.225 -8.416 4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.490 -6.834 4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.176 -7.086 3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.996 -5.965 2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.792 -7.364 0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.033 -8.468 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.706 -8.570 1.514 1.00 0.00 H new ATOM 459 N ARG A 28 -2.273 -4.647 6.423 1.00 0.00 N ATOM 460 CA ARG A 28 -1.868 -3.617 7.385 1.00 0.00 C ATOM 461 C ARG A 28 -0.360 -3.346 7.327 1.00 0.00 C ATOM 462 O ARG A 28 0.083 -2.228 7.600 1.00 0.00 O ATOM 463 CB ARG A 28 -2.252 -4.052 8.809 1.00 0.00 C ATOM 464 CG ARG A 28 -3.782 -4.161 8.937 1.00 0.00 C ATOM 465 CD ARG A 28 -4.161 -4.498 10.385 1.00 0.00 C ATOM 466 NE ARG A 28 -5.597 -4.775 10.480 1.00 0.00 N ATOM 467 CZ ARG A 28 -6.179 -5.108 11.636 1.00 0.00 C ATOM 468 NH1 ARG A 28 -5.480 -5.200 12.735 1.00 0.00 N ATOM 469 NH2 ARG A 28 -7.459 -5.344 11.667 1.00 0.00 N ATOM 0 H ARG A 28 -2.531 -5.538 6.847 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.389 -2.697 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.791 -5.012 9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.870 -3.332 9.533 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.249 -3.222 8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.158 -4.932 8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.593 -5.364 10.725 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.899 -3.667 11.040 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.170 -4.712 9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.477 -5.017 12.718 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.937 -5.455 13.610 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.011 -5.274 10.812 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.909 -5.599 12.546 1.00 0.00 H new ATOM 483 N ALA A 29 0.418 -4.387 7.009 1.00 0.00 N ATOM 484 CA ALA A 29 1.879 -4.277 6.962 1.00 0.00 C ATOM 485 C ALA A 29 2.362 -3.216 5.965 1.00 0.00 C ATOM 486 O ALA A 29 3.171 -2.356 6.330 1.00 0.00 O ATOM 487 CB ALA A 29 2.489 -5.637 6.600 1.00 0.00 C ATOM 0 H ALA A 29 0.060 -5.314 6.781 1.00 0.00 H new ATOM 0 HA ALA A 29 2.209 -3.964 7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.575 -5.551 6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.207 -6.374 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.119 -5.954 5.625 1.00 0.00 H new ATOM 493 N PHE A 30 1.892 -3.286 4.711 1.00 0.00 N ATOM 494 CA PHE A 30 2.327 -2.321 3.689 1.00 0.00 C ATOM 495 C PHE A 30 1.944 -0.882 4.050 1.00 0.00 C ATOM 496 O PHE A 30 2.806 0.003 4.066 1.00 0.00 O ATOM 497 CB PHE A 30 1.735 -2.686 2.319 1.00 0.00 C ATOM 498 CG PHE A 30 2.557 -3.795 1.689 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.885 -3.550 1.314 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.998 -5.062 1.483 1.00 0.00 C ATOM 501 CE1 PHE A 30 4.651 -4.565 0.736 1.00 0.00 C ATOM 502 CE2 PHE A 30 2.765 -6.078 0.903 1.00 0.00 C ATOM 503 CZ PHE A 30 4.093 -5.830 0.530 1.00 0.00 C ATOM 0 H PHE A 30 1.225 -3.985 4.384 1.00 0.00 H new ATOM 0 HA PHE A 30 3.415 -2.374 3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.699 -3.007 2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.728 -1.811 1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.318 -2.573 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.975 -5.255 1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.674 -4.373 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.333 -7.055 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.685 -6.616 0.084 1.00 0.00 H new ATOM 513 N ILE A 31 0.658 -0.650 4.320 1.00 0.00 N ATOM 514 CA ILE A 31 0.184 0.694 4.662 1.00 0.00 C ATOM 515 C ILE A 31 0.903 1.235 5.908 1.00 0.00 C ATOM 516 O ILE A 31 1.305 2.403 5.930 1.00 0.00 O ATOM 517 CB ILE A 31 -1.353 0.692 4.855 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.028 0.328 3.505 1.00 0.00 C ATOM 519 CG2 ILE A 31 -1.828 2.081 5.323 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.561 0.440 3.598 1.00 0.00 C ATOM 0 H ILE A 31 -0.068 -1.366 4.309 1.00 0.00 H new ATOM 0 HA ILE A 31 0.421 1.362 3.834 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.627 -0.042 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.660 0.990 2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.752 -0.687 3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.910 2.070 5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.349 2.330 6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.562 2.828 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.004 0.179 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.930 -0.241 4.365 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.836 1.462 3.858 1.00 0.00 H new ATOM 532 N ARG A 32 1.072 0.390 6.932 1.00 0.00 N ATOM 533 CA ARG A 32 1.762 0.815 8.160 1.00 0.00 C ATOM 534 C ARG A 32 3.206 1.216 7.842 1.00 0.00 C ATOM 535 O ARG A 32 3.689 2.266 8.291 1.00 0.00 O ATOM 536 CB ARG A 32 1.750 -0.323 9.191 1.00 0.00 C ATOM 537 CG ARG A 32 2.345 0.166 10.522 1.00 0.00 C ATOM 538 CD ARG A 32 2.365 -0.983 11.538 1.00 0.00 C ATOM 539 NE ARG A 32 2.811 -0.495 12.847 1.00 0.00 N ATOM 540 CZ ARG A 32 2.896 -1.296 13.912 1.00 0.00 C ATOM 541 NH1 ARG A 32 2.584 -2.561 13.824 1.00 0.00 N ATOM 542 NH2 ARG A 32 3.296 -0.811 15.053 1.00 0.00 N ATOM 0 H ARG A 32 0.747 -0.577 6.938 1.00 0.00 H new ATOM 0 HA ARG A 32 1.240 1.677 8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.730 -0.673 9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.324 -1.170 8.816 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.356 0.540 10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.756 0.997 10.911 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.370 -1.419 11.624 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.030 -1.774 11.191 1.00 0.00 H new ATOM 0 HE ARG A 32 3.064 0.488 12.947 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.271 -2.948 12.934 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.653 -3.162 14.645 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.542 0.176 15.129 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.363 -1.418 15.870 1.00 0.00 H new ATOM 556 N SER A 33 3.878 0.376 7.049 1.00 0.00 N ATOM 557 CA SER A 33 5.263 0.636 6.648 1.00 0.00 C ATOM 558 C SER A 33 5.358 1.944 5.865 1.00 0.00 C ATOM 559 O SER A 33 6.374 2.637 5.928 1.00 0.00 O ATOM 560 CB SER A 33 5.799 -0.516 5.793 1.00 0.00 C ATOM 561 OG SER A 33 5.789 -1.716 6.557 1.00 0.00 O ATOM 0 H SER A 33 3.486 -0.488 6.673 1.00 0.00 H new ATOM 0 HA SER A 33 5.867 0.719 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.186 -0.636 4.899 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.812 -0.294 5.458 1.00 0.00 H new ATOM 0 HG SER A 33 4.901 -2.127 6.509 1.00 0.00 H new ATOM 567 N LEU A 34 4.286 2.270 5.125 1.00 0.00 N ATOM 568 CA LEU A 34 4.240 3.500 4.323 1.00 0.00 C ATOM 569 C LEU A 34 4.444 4.726 5.214 1.00 0.00 C ATOM 570 O LEU A 34 5.248 5.606 4.898 1.00 0.00 O ATOM 571 CB LEU A 34 2.877 3.606 3.605 1.00 0.00 C ATOM 572 CG LEU A 34 3.067 3.870 2.096 1.00 0.00 C ATOM 573 CD1 LEU A 34 2.595 2.646 1.296 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.254 5.105 1.678 1.00 0.00 C ATOM 0 H LEU A 34 3.442 1.700 5.066 1.00 0.00 H new ATOM 0 HA LEU A 34 5.040 3.463 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.313 2.684 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.290 4.411 4.048 1.00 0.00 H new ATOM 0 HG LEU A 34 4.123 4.050 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.730 2.834 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.179 1.773 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.541 2.462 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.391 5.287 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.198 4.932 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.596 5.973 2.242 1.00 0.00 H new ATOM 586 N TYR A 35 3.714 4.761 6.334 1.00 0.00 N ATOM 587 CA TYR A 35 3.823 5.868 7.283 1.00 0.00 C ATOM 588 C TYR A 35 5.237 5.914 7.863 1.00 0.00 C ATOM 589 O TYR A 35 5.821 6.990 8.013 1.00 0.00 O ATOM 590 CB TYR A 35 2.795 5.694 8.414 1.00 0.00 C ATOM 591 CG TYR A 35 2.811 6.914 9.318 1.00 0.00 C ATOM 592 CD1 TYR A 35 2.055 8.047 8.984 1.00 0.00 C ATOM 593 CD2 TYR A 35 3.584 6.912 10.489 1.00 0.00 C ATOM 594 CE1 TYR A 35 2.071 9.172 9.817 1.00 0.00 C ATOM 595 CE2 TYR A 35 3.598 8.039 11.322 1.00 0.00 C ATOM 596 CZ TYR A 35 2.842 9.167 10.986 1.00 0.00 C ATOM 597 OH TYR A 35 2.857 10.277 11.805 1.00 0.00 O ATOM 0 H TYR A 35 3.046 4.039 6.602 1.00 0.00 H new ATOM 0 HA TYR A 35 3.620 6.805 6.764 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.799 5.555 7.994 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.025 4.799 8.992 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.460 8.052 8.083 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.168 6.042 10.749 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.489 10.044 9.558 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.193 8.037 12.224 1.00 0.00 H new ATOM 0 HH TYR A 35 3.441 10.108 12.574 1.00 0.00 H new ATOM 607 N ASP A 36 5.772 4.732 8.186 1.00 0.00 N ATOM 608 CA ASP A 36 7.118 4.628 8.751 1.00 0.00 C ATOM 609 C ASP A 36 8.177 5.148 7.770 1.00 0.00 C ATOM 610 O ASP A 36 9.177 5.736 8.190 1.00 0.00 O ATOM 611 CB ASP A 36 7.417 3.167 9.118 1.00 0.00 C ATOM 612 CG ASP A 36 8.641 3.093 10.034 1.00 0.00 C ATOM 613 OD1 ASP A 36 8.483 3.333 11.221 1.00 0.00 O ATOM 614 OD2 ASP A 36 9.718 2.801 9.540 1.00 0.00 O ATOM 0 H ASP A 36 5.295 3.839 8.066 1.00 0.00 H new ATOM 0 HA ASP A 36 7.158 5.246 9.648 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.554 2.725 9.616 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.595 2.586 8.213 1.00 0.00 H new ATOM 619 N ASP A 37 7.952 4.922 6.464 1.00 0.00 N ATOM 620 CA ASP A 37 8.894 5.366 5.424 1.00 0.00 C ATOM 621 C ASP A 37 8.139 5.805 4.156 1.00 0.00 C ATOM 622 O ASP A 37 7.986 5.019 3.212 1.00 0.00 O ATOM 623 CB ASP A 37 9.874 4.227 5.081 1.00 0.00 C ATOM 624 CG ASP A 37 10.754 3.890 6.289 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.530 4.744 6.692 1.00 0.00 O ATOM 626 OD2 ASP A 37 10.648 2.780 6.786 1.00 0.00 O ATOM 0 H ASP A 37 7.130 4.437 6.105 1.00 0.00 H new ATOM 0 HA ASP A 37 9.453 6.220 5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.318 3.342 4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.500 4.520 4.239 1.00 0.00 H new ATOM 631 N PRO A 38 7.664 7.039 4.113 1.00 0.00 N ATOM 632 CA PRO A 38 6.914 7.577 2.930 1.00 0.00 C ATOM 633 C PRO A 38 7.714 7.464 1.627 1.00 0.00 C ATOM 634 O PRO A 38 7.144 7.440 0.534 1.00 0.00 O ATOM 635 CB PRO A 38 6.673 9.053 3.286 1.00 0.00 C ATOM 636 CG PRO A 38 6.792 9.134 4.771 1.00 0.00 C ATOM 637 CD PRO A 38 7.790 8.055 5.180 1.00 0.00 C ATOM 0 HA PRO A 38 5.996 7.017 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.404 9.698 2.799 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.688 9.380 2.954 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.137 10.120 5.080 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.826 8.971 5.248 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.804 8.450 5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.552 7.639 6.159 1.00 0.00 H new ATOM 645 N SER A 39 9.036 7.417 1.765 1.00 0.00 N ATOM 646 CA SER A 39 9.938 7.332 0.616 1.00 0.00 C ATOM 647 C SER A 39 9.693 6.081 -0.240 1.00 0.00 C ATOM 648 O SER A 39 9.945 6.109 -1.448 1.00 0.00 O ATOM 649 CB SER A 39 11.392 7.336 1.102 1.00 0.00 C ATOM 650 OG SER A 39 11.622 8.496 1.893 1.00 0.00 O ATOM 0 H SER A 39 9.511 7.436 2.667 1.00 0.00 H new ATOM 0 HA SER A 39 9.739 8.201 -0.012 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.594 6.438 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.072 7.322 0.250 1.00 0.00 H new ATOM 0 HG SER A 39 12.551 8.500 2.206 1.00 0.00 H new ATOM 656 N GLN A 40 9.241 4.981 0.383 1.00 0.00 N ATOM 657 CA GLN A 40 9.017 3.725 -0.350 1.00 0.00 C ATOM 658 C GLN A 40 7.554 3.552 -0.776 1.00 0.00 C ATOM 659 O GLN A 40 7.198 2.501 -1.308 1.00 0.00 O ATOM 660 CB GLN A 40 9.429 2.524 0.528 1.00 0.00 C ATOM 661 CG GLN A 40 10.831 2.735 1.127 1.00 0.00 C ATOM 662 CD GLN A 40 11.878 2.902 0.025 1.00 0.00 C ATOM 663 OE1 GLN A 40 12.031 2.028 -0.828 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.612 3.980 -0.007 1.00 0.00 N ATOM 0 H GLN A 40 9.026 4.935 1.379 1.00 0.00 H new ATOM 0 HA GLN A 40 9.628 3.767 -1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.703 2.389 1.330 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.418 1.612 -0.069 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.828 3.617 1.767 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.093 1.885 1.757 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.485 4.704 0.700 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.313 4.098 -0.739 1.00 0.00 H new ATOM 673 N SER A 41 6.710 4.568 -0.538 1.00 0.00 N ATOM 674 CA SER A 41 5.277 4.482 -0.887 1.00 0.00 C ATOM 675 C SER A 41 5.057 3.907 -2.292 1.00 0.00 C ATOM 676 O SER A 41 4.129 3.120 -2.505 1.00 0.00 O ATOM 677 CB SER A 41 4.626 5.866 -0.795 1.00 0.00 C ATOM 678 OG SER A 41 4.724 6.344 0.539 1.00 0.00 O ATOM 0 H SER A 41 6.988 5.451 -0.110 1.00 0.00 H new ATOM 0 HA SER A 41 4.813 3.804 -0.171 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.118 6.558 -1.478 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.580 5.809 -1.097 1.00 0.00 H new ATOM 0 HG SER A 41 5.450 7.000 0.599 1.00 0.00 H new ATOM 684 N ALA A 42 5.922 4.286 -3.233 1.00 0.00 N ATOM 685 CA ALA A 42 5.819 3.787 -4.603 1.00 0.00 C ATOM 686 C ALA A 42 6.137 2.290 -4.657 1.00 0.00 C ATOM 687 O ALA A 42 5.423 1.514 -5.302 1.00 0.00 O ATOM 688 CB ALA A 42 6.791 4.553 -5.508 1.00 0.00 C ATOM 0 H ALA A 42 6.695 4.931 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 42 4.798 3.940 -4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.711 4.178 -6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.544 5.614 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.810 4.412 -5.149 1.00 0.00 H new ATOM 694 N ASN A 43 7.221 1.899 -3.976 1.00 0.00 N ATOM 695 CA ASN A 43 7.649 0.496 -3.948 1.00 0.00 C ATOM 696 C ASN A 43 6.647 -0.379 -3.201 1.00 0.00 C ATOM 697 O ASN A 43 6.260 -1.434 -3.692 1.00 0.00 O ATOM 698 CB ASN A 43 9.017 0.370 -3.259 1.00 0.00 C ATOM 699 CG ASN A 43 10.101 1.140 -4.015 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.911 1.552 -5.162 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.245 1.349 -3.429 1.00 0.00 N ATOM 0 H ASN A 43 7.815 2.531 -3.440 1.00 0.00 H new ATOM 0 HA ASN A 43 7.715 0.157 -4.982 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.947 0.746 -2.238 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.296 -0.682 -3.192 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.984 1.853 -3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.402 1.008 -2.480 1.00 0.00 H new ATOM 708 N LEU A 44 6.246 0.063 -2.004 1.00 0.00 N ATOM 709 CA LEU A 44 5.301 -0.697 -1.172 1.00 0.00 C ATOM 710 C LEU A 44 3.996 -0.967 -1.924 1.00 0.00 C ATOM 711 O LEU A 44 3.466 -2.077 -1.870 1.00 0.00 O ATOM 712 CB LEU A 44 4.980 0.078 0.106 1.00 0.00 C ATOM 713 CG LEU A 44 6.261 0.393 0.918 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.893 1.209 2.163 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.960 -0.900 1.355 1.00 0.00 C ATOM 0 H LEU A 44 6.559 0.940 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 44 5.773 -1.648 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.472 1.008 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.292 -0.502 0.721 1.00 0.00 H new ATOM 0 HG LEU A 44 6.939 0.963 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.795 1.430 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.418 2.142 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.203 0.636 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.857 -0.654 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.284 -1.486 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.236 -1.480 0.474 1.00 0.00 H new ATOM 727 N LEU A 45 3.491 0.052 -2.638 1.00 0.00 N ATOM 728 CA LEU A 45 2.254 -0.094 -3.422 1.00 0.00 C ATOM 729 C LEU A 45 2.443 -1.178 -4.483 1.00 0.00 C ATOM 730 O LEU A 45 1.620 -2.089 -4.617 1.00 0.00 O ATOM 731 CB LEU A 45 1.910 1.256 -4.082 1.00 0.00 C ATOM 732 CG LEU A 45 0.865 1.090 -5.214 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.440 0.488 -4.671 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.565 2.463 -5.837 1.00 0.00 C ATOM 0 H LEU A 45 3.916 0.978 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 45 1.433 -0.389 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.524 1.942 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.817 1.705 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 45 1.275 0.416 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.158 0.381 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.236 -0.491 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.854 1.146 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.170 2.348 -6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.170 3.131 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.482 2.884 -6.248 1.00 0.00 H new ATOM 746 N ALA A 46 3.552 -1.069 -5.211 1.00 0.00 N ATOM 747 CA ALA A 46 3.883 -2.045 -6.252 1.00 0.00 C ATOM 748 C ALA A 46 4.056 -3.433 -5.629 1.00 0.00 C ATOM 749 O ALA A 46 3.599 -4.438 -6.182 1.00 0.00 O ATOM 750 CB ALA A 46 5.180 -1.634 -6.958 1.00 0.00 C ATOM 0 H ALA A 46 4.235 -0.319 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 46 3.072 -2.076 -6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.421 -2.364 -7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.051 -0.652 -7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.992 -1.593 -6.232 1.00 0.00 H new ATOM 756 N GLU A 47 4.709 -3.462 -4.466 1.00 0.00 N ATOM 757 CA GLU A 47 4.948 -4.702 -3.730 1.00 0.00 C ATOM 758 C GLU A 47 3.630 -5.323 -3.267 1.00 0.00 C ATOM 759 O GLU A 47 3.457 -6.546 -3.318 1.00 0.00 O ATOM 760 CB GLU A 47 5.835 -4.401 -2.515 1.00 0.00 C ATOM 761 CG GLU A 47 7.299 -4.210 -2.956 1.00 0.00 C ATOM 762 CD GLU A 47 7.895 -5.537 -3.445 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.972 -6.464 -2.650 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.281 -5.605 -4.602 1.00 0.00 O ATOM 0 H GLU A 47 5.085 -2.630 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 47 5.446 -5.413 -4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.480 -3.502 -2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.768 -5.218 -1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.350 -3.467 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.888 -3.826 -2.123 1.00 0.00 H new ATOM 771 N ALA A 48 2.700 -4.475 -2.824 1.00 0.00 N ATOM 772 CA ALA A 48 1.397 -4.949 -2.366 1.00 0.00 C ATOM 773 C ALA A 48 0.653 -5.594 -3.530 1.00 0.00 C ATOM 774 O ALA A 48 0.087 -6.681 -3.394 1.00 0.00 O ATOM 775 CB ALA A 48 0.580 -3.780 -1.809 1.00 0.00 C ATOM 0 H ALA A 48 2.825 -3.464 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 48 1.540 -5.686 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.390 -4.143 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.113 -3.331 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.435 -3.033 -2.589 1.00 0.00 H new ATOM 781 N LYS A 49 0.685 -4.916 -4.677 1.00 0.00 N ATOM 782 CA LYS A 49 0.034 -5.418 -5.881 1.00 0.00 C ATOM 783 C LYS A 49 0.685 -6.734 -6.318 1.00 0.00 C ATOM 784 O LYS A 49 0.017 -7.617 -6.861 1.00 0.00 O ATOM 785 CB LYS A 49 0.137 -4.377 -7.001 1.00 0.00 C ATOM 786 CG LYS A 49 -0.920 -4.665 -8.077 1.00 0.00 C ATOM 787 CD LYS A 49 -0.823 -3.618 -9.194 1.00 0.00 C ATOM 788 CE LYS A 49 -2.200 -3.392 -9.826 1.00 0.00 C ATOM 789 NZ LYS A 49 -2.036 -2.754 -11.164 1.00 0.00 N ATOM 0 H LYS A 49 1.155 -4.019 -4.795 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.019 -5.603 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.008 -3.376 -6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.134 -4.401 -7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.771 -5.663 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.916 -4.647 -7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.441 -2.680 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.116 -3.950 -9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.726 -4.341 -9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.808 -2.758 -9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.971 -2.601 -11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.551 -1.840 -11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.471 -3.375 -11.778 1.00 0.00 H new ATOM 803 N LYS A 50 1.998 -6.852 -6.070 1.00 0.00 N ATOM 804 CA LYS A 50 2.743 -8.058 -6.428 1.00 0.00 C ATOM 805 C LYS A 50 2.161 -9.272 -5.704 1.00 0.00 C ATOM 806 O LYS A 50 1.920 -10.315 -6.319 1.00 0.00 O ATOM 807 CB LYS A 50 4.217 -7.874 -6.042 1.00 0.00 C ATOM 808 CG LYS A 50 5.067 -9.010 -6.632 1.00 0.00 C ATOM 809 CD LYS A 50 6.557 -8.719 -6.388 1.00 0.00 C ATOM 810 CE LYS A 50 6.931 -9.032 -4.931 1.00 0.00 C ATOM 811 NZ LYS A 50 8.280 -8.469 -4.635 1.00 0.00 N ATOM 0 H LYS A 50 2.560 -6.127 -5.624 1.00 0.00 H new ATOM 0 HA LYS A 50 2.665 -8.225 -7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.579 -6.913 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.317 -7.861 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.792 -9.960 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.875 -9.104 -7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.167 -9.319 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.771 -7.673 -6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.190 -8.606 -4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.930 -10.110 -4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.251 -7.956 -3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.973 -9.242 -4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.558 -7.816 -5.395 1.00 0.00 H new ATOM 825 N LEU A 51 1.916 -9.116 -4.396 1.00 0.00 N ATOM 826 CA LEU A 51 1.336 -10.199 -3.594 1.00 0.00 C ATOM 827 C LEU A 51 -0.078 -10.517 -4.082 1.00 0.00 C ATOM 828 O LEU A 51 -0.473 -11.685 -4.136 1.00 0.00 O ATOM 829 CB LEU A 51 1.328 -9.813 -2.101 1.00 0.00 C ATOM 830 CG LEU A 51 2.629 -10.313 -1.437 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.905 -9.518 -0.155 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.499 -11.808 -1.100 1.00 0.00 C ATOM 0 H LEU A 51 2.108 -8.260 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 51 1.948 -11.093 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.244 -8.732 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.462 -10.251 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 51 3.458 -10.169 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.825 -9.878 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.011 -8.461 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.076 -9.649 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.419 -12.157 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.665 -11.955 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.321 -12.373 -2.015 1.00 0.00 H new ATOM 844 N ASN A 52 -0.823 -9.471 -4.460 1.00 0.00 N ATOM 845 CA ASN A 52 -2.185 -9.641 -4.975 1.00 0.00 C ATOM 846 C ASN A 52 -2.158 -10.491 -6.244 1.00 0.00 C ATOM 847 O ASN A 52 -2.925 -11.446 -6.380 1.00 0.00 O ATOM 848 CB ASN A 52 -2.793 -8.258 -5.271 1.00 0.00 C ATOM 849 CG ASN A 52 -4.053 -8.371 -6.139 1.00 0.00 C ATOM 850 OD1 ASN A 52 -5.200 -8.633 -5.585 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -3.983 -8.214 -7.358 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.506 -8.502 -4.419 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.797 -10.149 -4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.039 -7.760 -4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.055 -7.636 -5.778 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.085 -8.008 -7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.823 -8.289 -7.931 1.00 0.00 H new ATOM 858 N ASP A 53 -1.262 -10.130 -7.161 1.00 0.00 N ATOM 859 CA ASP A 53 -1.120 -10.853 -8.423 1.00 0.00 C ATOM 860 C ASP A 53 -0.651 -12.285 -8.187 1.00 0.00 C ATOM 861 O ASP A 53 -1.060 -13.207 -8.900 1.00 0.00 O ATOM 862 CB ASP A 53 -0.114 -10.124 -9.322 1.00 0.00 C ATOM 863 CG ASP A 53 -0.060 -10.773 -10.709 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.898 -10.440 -11.532 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.818 -11.595 -10.926 1.00 0.00 O ATOM 0 H ASP A 53 -0.624 -9.342 -7.054 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.095 -10.888 -8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.396 -9.075 -9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.875 -10.149 -8.864 1.00 0.00 H new ATOM 870 N ALA A 54 0.239 -12.455 -7.207 1.00 0.00 N ATOM 871 CA ALA A 54 0.799 -13.769 -6.907 1.00 0.00 C ATOM 872 C ALA A 54 -0.230 -14.712 -6.273 1.00 0.00 C ATOM 873 O ALA A 54 -0.406 -15.846 -6.727 1.00 0.00 O ATOM 874 CB ALA A 54 1.984 -13.610 -5.949 1.00 0.00 C ATOM 0 H ALA A 54 0.584 -11.702 -6.612 1.00 0.00 H new ATOM 0 HA ALA A 54 1.118 -14.210 -7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.404 -14.590 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.747 -12.987 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.645 -13.140 -5.026 1.00 0.00 H new ATOM 880 N GLN A 55 -0.879 -14.241 -5.206 1.00 0.00 N ATOM 881 CA GLN A 55 -1.870 -15.045 -4.479 1.00 0.00 C ATOM 882 C GLN A 55 -3.153 -15.258 -5.290 1.00 0.00 C ATOM 883 O GLN A 55 -3.856 -16.251 -5.085 1.00 0.00 O ATOM 884 CB GLN A 55 -2.206 -14.370 -3.140 1.00 0.00 C ATOM 885 CG GLN A 55 -0.958 -14.348 -2.238 1.00 0.00 C ATOM 886 CD GLN A 55 -1.233 -13.520 -0.984 1.00 0.00 C ATOM 887 OE1 GLN A 55 -2.026 -12.490 -1.058 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -0.701 -13.810 0.088 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.737 -13.306 -4.824 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.429 -16.026 -4.302 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.558 -13.353 -3.313 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.015 -14.907 -2.644 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.683 -15.365 -1.959 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.113 -13.928 -2.783 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.080 -14.617 0.147 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.882 -13.244 0.917 1.00 0.00 H new ATOM 897 N ALA A 56 -3.461 -14.313 -6.185 1.00 0.00 N ATOM 898 CA ALA A 56 -4.677 -14.392 -7.007 1.00 0.00 C ATOM 899 C ALA A 56 -4.753 -15.718 -7.786 1.00 0.00 C ATOM 900 O ALA A 56 -3.727 -16.368 -8.005 1.00 0.00 O ATOM 901 CB ALA A 56 -4.717 -13.218 -7.990 1.00 0.00 C ATOM 0 H ALA A 56 -2.889 -13.487 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.535 -14.345 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.620 -13.282 -8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.718 -12.279 -7.436 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.841 -13.256 -8.638 1.00 0.00 H new ATOM 907 N PRO A 57 -5.948 -16.124 -8.195 1.00 0.00 N ATOM 908 CA PRO A 57 -6.165 -17.398 -8.962 1.00 0.00 C ATOM 909 C PRO A 57 -5.287 -17.505 -10.210 1.00 0.00 C ATOM 910 O PRO A 57 -4.833 -16.494 -10.754 1.00 0.00 O ATOM 911 CB PRO A 57 -7.647 -17.352 -9.353 1.00 0.00 C ATOM 912 CG PRO A 57 -8.286 -16.444 -8.359 1.00 0.00 C ATOM 913 CD PRO A 57 -7.228 -15.417 -7.971 1.00 0.00 C ATOM 0 HA PRO A 57 -5.898 -18.266 -8.360 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.775 -16.977 -10.368 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.093 -18.346 -9.322 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.162 -15.956 -8.786 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.625 -17.001 -7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.300 -14.518 -8.583 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.336 -15.105 -6.932 1.00 0.00 H new ATOM 921 N LYS A 58 -5.067 -18.746 -10.653 1.00 0.00 N ATOM 922 CA LYS A 58 -4.251 -19.021 -11.841 1.00 0.00 C ATOM 923 C LYS A 58 -5.142 -19.155 -13.083 1.00 0.00 C ATOM 924 O LYS A 58 -6.062 -19.959 -13.048 1.00 0.00 O ATOM 925 CB LYS A 58 -3.447 -20.319 -11.642 1.00 0.00 C ATOM 926 CG LYS A 58 -2.599 -20.240 -10.358 1.00 0.00 C ATOM 927 CD LYS A 58 -1.518 -19.153 -10.498 1.00 0.00 C ATOM 928 CE LYS A 58 -0.607 -19.154 -9.262 1.00 0.00 C ATOM 929 NZ LYS A 58 0.111 -20.459 -9.165 1.00 0.00 N ATOM 930 OXT LYS A 58 -4.891 -18.453 -14.050 1.00 0.00 O ATOM 0 H LYS A 58 -5.444 -19.581 -10.205 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.562 -18.189 -11.986 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.127 -21.169 -11.584 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.799 -20.488 -12.502 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.239 -20.018 -9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.131 -21.205 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.926 -19.331 -11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.987 -18.176 -10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.112 -18.337 -9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.199 -18.986 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.969 -20.341 -8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.510 -21.165 -8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.376 -20.781 -10.118 1.00 0.00 H new TER 944 LYS A 58