USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 351 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 105 GLN : amide:sc=0.000878 X(o=0.0022,f=-0.049) USER MOD Set 1.2: A 108 GLN : amide:sc= 0.00134 X(o=0.0022,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot -23:sc= 0.369 USER MOD Single : A 107 GLN : amide:sc= -0.0715 X(o=-0.072,f=-0.34) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 -17.939 -28.305 4.627 1.00 0.00 N ATOM 2 CA ILE A 88 -17.370 -27.743 3.409 1.00 0.00 C ATOM 3 C ILE A 88 -16.338 -26.668 3.729 1.00 0.00 C ATOM 4 O ILE A 88 -16.184 -25.699 2.986 1.00 0.00 O ATOM 5 CB ILE A 88 -18.461 -27.138 2.505 1.00 0.00 C ATOM 6 CG1 ILE A 88 -19.348 -26.185 3.308 1.00 0.00 C ATOM 7 CG2 ILE A 88 -19.295 -28.241 1.872 1.00 0.00 C ATOM 8 CD1 ILE A 88 -19.578 -24.854 2.626 1.00 0.00 C ATOM 0 HA ILE A 88 -16.885 -28.563 2.880 1.00 0.00 H new ATOM 0 HB ILE A 88 -17.980 -26.571 1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -20.311 -26.663 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -18.891 -26.011 4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -20.062 -27.798 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -18.652 -28.884 1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -19.770 -28.833 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -20.215 -24.230 3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -18.622 -24.355 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -20.063 -25.017 1.664 1.00 0.00 H new ATOM 20 N ASP A 89 -15.631 -26.846 4.840 1.00 0.00 N ATOM 21 CA ASP A 89 -14.610 -25.893 5.258 1.00 0.00 C ATOM 22 C ASP A 89 -13.463 -25.850 4.255 1.00 0.00 C ATOM 23 O ASP A 89 -12.858 -24.801 4.031 1.00 0.00 O ATOM 24 CB ASP A 89 -14.078 -26.259 6.645 1.00 0.00 C ATOM 25 CG ASP A 89 -13.759 -25.038 7.484 1.00 0.00 C ATOM 26 OD1 ASP A 89 -13.309 -24.024 6.910 1.00 0.00 O ATOM 27 OD2 ASP A 89 -13.960 -25.095 8.715 1.00 0.00 O ATOM 0 H ASP A 89 -15.747 -27.642 5.467 1.00 0.00 H new ATOM 0 HA ASP A 89 -15.067 -24.904 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -14.816 -26.870 7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -13.180 -26.867 6.537 1.00 0.00 H new ATOM 32 N VAL A 90 -13.166 -26.997 3.652 1.00 0.00 N ATOM 33 CA VAL A 90 -12.092 -27.091 2.672 1.00 0.00 C ATOM 34 C VAL A 90 -12.346 -26.165 1.488 1.00 0.00 C ATOM 35 O VAL A 90 -11.412 -25.608 0.909 1.00 0.00 O ATOM 36 CB VAL A 90 -11.927 -28.533 2.156 1.00 0.00 C ATOM 37 CG1 VAL A 90 -11.524 -29.463 3.290 1.00 0.00 C ATOM 38 CG2 VAL A 90 -13.209 -29.011 1.493 1.00 0.00 C ATOM 0 H VAL A 90 -13.655 -27.875 3.826 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.175 -26.787 3.177 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.133 -28.545 1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.412 -30.477 2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.577 -29.129 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.293 -29.450 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.075 -30.031 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -14.024 -28.985 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.449 -28.360 0.653 1.00 0.00 H new ATOM 48 N LEU A 91 -13.616 -26.004 1.131 1.00 0.00 N ATOM 49 CA LEU A 91 -13.994 -25.144 0.015 1.00 0.00 C ATOM 50 C LEU A 91 -14.126 -23.693 0.466 1.00 0.00 C ATOM 51 O LEU A 91 -13.836 -22.768 -0.292 1.00 0.00 O ATOM 52 CB LEU A 91 -15.312 -25.621 -0.597 1.00 0.00 C ATOM 53 CG LEU A 91 -15.201 -26.382 -1.919 1.00 0.00 C ATOM 54 CD1 LEU A 91 -16.445 -27.224 -2.157 1.00 0.00 C ATOM 55 CD2 LEU A 91 -14.980 -25.416 -3.073 1.00 0.00 C ATOM 0 H LEU A 91 -14.401 -26.458 1.598 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.208 -25.201 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -15.815 -26.262 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -15.952 -24.753 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.342 -27.050 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -16.348 -27.758 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.559 -27.942 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -17.321 -26.576 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -14.903 -25.975 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -15.819 -24.723 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -14.059 -24.857 -2.908 1.00 0.00 H new ATOM 67 N ARG A 92 -14.563 -23.502 1.707 1.00 0.00 N ATOM 68 CA ARG A 92 -14.732 -22.163 2.259 1.00 0.00 C ATOM 69 C ARG A 92 -13.379 -21.497 2.494 1.00 0.00 C ATOM 70 O ARG A 92 -13.203 -20.311 2.215 1.00 0.00 O ATOM 71 CB ARG A 92 -15.516 -22.225 3.571 1.00 0.00 C ATOM 72 CG ARG A 92 -16.776 -21.375 3.568 1.00 0.00 C ATOM 73 CD ARG A 92 -17.331 -21.196 4.972 1.00 0.00 C ATOM 74 NE ARG A 92 -18.791 -21.150 4.983 1.00 0.00 N ATOM 75 CZ ARG A 92 -19.512 -20.929 6.076 1.00 0.00 C ATOM 76 NH1 ARG A 92 -18.911 -20.736 7.242 1.00 0.00 N ATOM 77 NH2 ARG A 92 -20.836 -20.902 6.004 1.00 0.00 N ATOM 0 H ARG A 92 -14.806 -24.257 2.348 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.291 -21.567 1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.787 -23.261 3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.870 -21.899 4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -16.557 -20.399 3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -17.530 -21.842 2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -16.990 -22.016 5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -16.936 -20.276 5.403 1.00 0.00 H new ATOM 0 HE ARG A 92 -19.284 -21.296 4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -17.893 -20.757 7.301 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -19.467 -20.566 8.080 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -21.301 -21.051 5.109 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -21.389 -20.732 6.844 1.00 0.00 H new ATOM 91 N ALA A 93 -12.427 -22.268 3.009 1.00 0.00 N ATOM 92 CA ALA A 93 -11.090 -21.754 3.280 1.00 0.00 C ATOM 93 C ALA A 93 -10.443 -21.213 2.009 1.00 0.00 C ATOM 94 O ALA A 93 -9.586 -20.330 2.064 1.00 0.00 O ATOM 95 CB ALA A 93 -10.221 -22.840 3.896 1.00 0.00 C ATOM 0 H ALA A 93 -12.557 -23.251 3.247 1.00 0.00 H new ATOM 0 HA ALA A 93 -11.180 -20.932 3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.226 -22.442 4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.668 -23.177 4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.145 -23.680 3.206 1.00 0.00 H new ATOM 101 N LYS A 94 -10.856 -21.748 0.866 1.00 0.00 N ATOM 102 CA LYS A 94 -10.318 -21.319 -0.420 1.00 0.00 C ATOM 103 C LYS A 94 -10.576 -19.833 -0.649 1.00 0.00 C ATOM 104 O LYS A 94 -9.836 -19.170 -1.375 1.00 0.00 O ATOM 105 CB LYS A 94 -10.938 -22.137 -1.554 1.00 0.00 C ATOM 106 CG LYS A 94 -9.947 -22.520 -2.640 1.00 0.00 C ATOM 107 CD LYS A 94 -10.076 -23.985 -3.021 1.00 0.00 C ATOM 108 CE LYS A 94 -9.832 -24.198 -4.507 1.00 0.00 C ATOM 109 NZ LYS A 94 -9.243 -25.538 -4.786 1.00 0.00 N ATOM 0 H LYS A 94 -11.563 -22.481 0.803 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.241 -21.485 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.377 -23.044 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.751 -21.565 -2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.112 -21.898 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.932 -22.321 -2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.363 -24.576 -2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.072 -24.344 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.773 -24.095 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.163 -23.422 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.092 -25.644 -5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.333 -25.627 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.893 -26.279 -4.453 1.00 0.00 H new ATOM 123 N ALA A 95 -11.629 -19.317 -0.025 1.00 0.00 N ATOM 124 CA ALA A 95 -11.982 -17.909 -0.159 1.00 0.00 C ATOM 125 C ALA A 95 -11.034 -17.026 0.646 1.00 0.00 C ATOM 126 O ALA A 95 -10.782 -15.877 0.284 1.00 0.00 O ATOM 127 CB ALA A 95 -13.420 -17.681 0.283 1.00 0.00 C ATOM 0 H ALA A 95 -12.253 -19.853 0.579 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.888 -17.635 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.670 -16.625 0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -14.090 -18.276 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.532 -17.978 1.326 1.00 0.00 H new ATOM 133 N ALA A 96 -10.511 -17.570 1.741 1.00 0.00 N ATOM 134 CA ALA A 96 -9.590 -16.832 2.596 1.00 0.00 C ATOM 135 C ALA A 96 -8.230 -16.670 1.926 1.00 0.00 C ATOM 136 O ALA A 96 -7.519 -15.694 2.169 1.00 0.00 O ATOM 137 CB ALA A 96 -9.439 -17.533 3.938 1.00 0.00 C ATOM 0 H ALA A 96 -10.710 -18.519 2.056 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.005 -15.838 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.748 -16.971 4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.410 -17.592 4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.050 -18.539 3.781 1.00 0.00 H new ATOM 143 N LYS A 97 -7.873 -17.632 1.082 1.00 0.00 N ATOM 144 CA LYS A 97 -6.597 -17.596 0.376 1.00 0.00 C ATOM 145 C LYS A 97 -6.606 -16.523 -0.709 1.00 0.00 C ATOM 146 O LYS A 97 -5.618 -15.816 -0.902 1.00 0.00 O ATOM 147 CB LYS A 97 -6.297 -18.962 -0.246 1.00 0.00 C ATOM 148 CG LYS A 97 -5.248 -19.757 0.512 1.00 0.00 C ATOM 149 CD LYS A 97 -4.149 -20.254 -0.413 1.00 0.00 C ATOM 150 CE LYS A 97 -3.423 -21.453 0.178 1.00 0.00 C ATOM 151 NZ LYS A 97 -3.357 -22.589 -0.783 1.00 0.00 N ATOM 0 H LYS A 97 -8.449 -18.446 0.870 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.817 -17.352 1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.219 -19.542 -0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.961 -18.819 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.813 -19.134 1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.720 -20.606 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.579 -20.526 -1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.436 -19.450 -0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.413 -21.161 0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.932 -21.775 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.855 -23.387 -0.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.321 -22.885 -1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.849 -22.290 -1.640 1.00 0.00 H new ATOM 165 N GLU A 98 -7.728 -16.409 -1.412 1.00 0.00 N ATOM 166 CA GLU A 98 -7.864 -15.421 -2.477 1.00 0.00 C ATOM 167 C GLU A 98 -7.786 -14.004 -1.917 1.00 0.00 C ATOM 168 O GLU A 98 -7.223 -13.107 -2.545 1.00 0.00 O ATOM 169 CB GLU A 98 -9.188 -15.616 -3.218 1.00 0.00 C ATOM 170 CG GLU A 98 -9.438 -14.579 -4.299 1.00 0.00 C ATOM 171 CD GLU A 98 -8.240 -14.381 -5.207 1.00 0.00 C ATOM 172 OE1 GLU A 98 -7.804 -15.368 -5.836 1.00 0.00 O ATOM 173 OE2 GLU A 98 -7.738 -13.241 -5.288 1.00 0.00 O ATOM 0 H GLU A 98 -8.555 -16.987 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.040 -15.563 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.200 -16.608 -3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.006 -15.583 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.296 -14.884 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.696 -13.628 -3.832 1.00 0.00 H new ATOM 180 N ARG A 99 -8.356 -13.810 -0.732 1.00 0.00 N ATOM 181 CA ARG A 99 -8.353 -12.502 -0.088 1.00 0.00 C ATOM 182 C ARG A 99 -6.954 -12.141 0.404 1.00 0.00 C ATOM 183 O ARG A 99 -6.430 -11.073 0.086 1.00 0.00 O ATOM 184 CB ARG A 99 -9.337 -12.484 1.084 1.00 0.00 C ATOM 185 CG ARG A 99 -10.255 -11.273 1.090 1.00 0.00 C ATOM 186 CD ARG A 99 -10.455 -10.733 2.498 1.00 0.00 C ATOM 187 NE ARG A 99 -9.644 -9.545 2.749 1.00 0.00 N ATOM 188 CZ ARG A 99 -9.876 -8.365 2.184 1.00 0.00 C ATOM 189 NH1 ARG A 99 -10.888 -8.216 1.342 1.00 0.00 N ATOM 190 NH2 ARG A 99 -9.093 -7.330 2.464 1.00 0.00 N ATOM 0 H ARG A 99 -8.826 -14.542 -0.199 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.663 -11.762 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.944 -13.389 1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.776 -12.509 2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.834 -10.493 0.456 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.220 -11.545 0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.507 -10.492 2.648 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.199 -11.506 3.222 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.857 -9.625 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.492 -9.009 1.126 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.063 -7.309 0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.314 -7.441 3.113 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.271 -6.424 2.030 1.00 0.00 H new ATOM 204 N ALA A 100 -6.355 -13.038 1.180 1.00 0.00 N ATOM 205 CA ALA A 100 -5.017 -12.815 1.714 1.00 0.00 C ATOM 206 C ALA A 100 -4.031 -12.479 0.600 1.00 0.00 C ATOM 207 O ALA A 100 -3.089 -11.715 0.804 1.00 0.00 O ATOM 208 CB ALA A 100 -4.547 -14.038 2.487 1.00 0.00 C ATOM 0 H ALA A 100 -6.775 -13.926 1.453 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.060 -11.964 2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.546 -13.858 2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.232 -14.232 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.525 -14.902 1.823 1.00 0.00 H new ATOM 214 N GLU A 101 -4.255 -13.056 -0.577 1.00 0.00 N ATOM 215 CA GLU A 101 -3.384 -12.817 -1.722 1.00 0.00 C ATOM 216 C GLU A 101 -3.559 -11.397 -2.252 1.00 0.00 C ATOM 217 O GLU A 101 -2.581 -10.700 -2.523 1.00 0.00 O ATOM 218 CB GLU A 101 -3.676 -13.828 -2.832 1.00 0.00 C ATOM 219 CG GLU A 101 -2.440 -14.553 -3.336 1.00 0.00 C ATOM 220 CD GLU A 101 -2.209 -14.348 -4.821 1.00 0.00 C ATOM 221 OE1 GLU A 101 -2.483 -13.234 -5.315 1.00 0.00 O ATOM 222 OE2 GLU A 101 -1.756 -15.301 -5.489 1.00 0.00 O ATOM 0 H GLU A 101 -5.031 -13.691 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.352 -12.938 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.393 -14.562 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.150 -13.311 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.568 -14.203 -2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.540 -15.619 -3.131 1.00 0.00 H new ATOM 229 N ARG A 102 -4.811 -10.977 -2.398 1.00 0.00 N ATOM 230 CA ARG A 102 -5.115 -9.641 -2.897 1.00 0.00 C ATOM 231 C ARG A 102 -4.470 -8.572 -2.019 1.00 0.00 C ATOM 232 O ARG A 102 -3.851 -7.634 -2.521 1.00 0.00 O ATOM 233 CB ARG A 102 -6.629 -9.426 -2.952 1.00 0.00 C ATOM 234 CG ARG A 102 -7.040 -8.187 -3.729 1.00 0.00 C ATOM 235 CD ARG A 102 -8.350 -7.613 -3.212 1.00 0.00 C ATOM 236 NE ARG A 102 -9.501 -8.119 -3.954 1.00 0.00 N ATOM 237 CZ ARG A 102 -10.743 -7.687 -3.769 1.00 0.00 C ATOM 238 NH1 ARG A 102 -10.993 -6.745 -2.869 1.00 0.00 N ATOM 239 NH2 ARG A 102 -11.738 -8.197 -4.484 1.00 0.00 N ATOM 0 H ARG A 102 -5.631 -11.542 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.706 -9.555 -3.904 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.095 -10.300 -3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.014 -9.351 -1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.257 -7.433 -3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.143 -8.436 -4.785 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.462 -7.860 -2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.322 -6.526 -3.283 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.342 -8.845 -4.653 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.231 -6.351 -2.318 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.948 -6.414 -2.728 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.549 -8.922 -5.177 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.692 -7.864 -4.341 1.00 0.00 H new ATOM 253 N ARG A 103 -4.622 -8.721 -0.707 1.00 0.00 N ATOM 254 CA ARG A 103 -4.056 -7.768 0.240 1.00 0.00 C ATOM 255 C ARG A 103 -2.551 -7.626 0.035 1.00 0.00 C ATOM 256 O ARG A 103 -2.008 -6.522 0.086 1.00 0.00 O ATOM 257 CB ARG A 103 -4.347 -8.209 1.675 1.00 0.00 C ATOM 258 CG ARG A 103 -5.059 -7.153 2.505 1.00 0.00 C ATOM 259 CD ARG A 103 -4.078 -6.148 3.088 1.00 0.00 C ATOM 260 NE ARG A 103 -3.389 -6.675 4.263 1.00 0.00 N ATOM 261 CZ ARG A 103 -2.336 -6.088 4.822 1.00 0.00 C ATOM 262 NH1 ARG A 103 -1.854 -4.962 4.317 1.00 0.00 N ATOM 263 NH2 ARG A 103 -1.763 -6.629 5.891 1.00 0.00 N ATOM 0 H ARG A 103 -5.132 -9.492 -0.276 1.00 0.00 H new ATOM 0 HA ARG A 103 -4.522 -6.799 0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.956 -9.112 1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.408 -8.470 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.789 -6.633 1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.611 -7.634 3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.344 -5.875 2.329 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.611 -5.236 3.358 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.735 -7.541 4.677 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.291 -4.543 3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.046 -4.514 4.749 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.131 -7.496 6.283 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.955 -6.178 6.320 1.00 0.00 H new ATOM 277 N LEU A 104 -1.882 -8.751 -0.195 1.00 0.00 N ATOM 278 CA LEU A 104 -0.439 -8.753 -0.408 1.00 0.00 C ATOM 279 C LEU A 104 -0.067 -7.920 -1.631 1.00 0.00 C ATOM 280 O LEU A 104 1.037 -7.384 -1.715 1.00 0.00 O ATOM 281 CB LEU A 104 0.069 -10.185 -0.578 1.00 0.00 C ATOM 282 CG LEU A 104 1.072 -10.671 0.470 1.00 0.00 C ATOM 283 CD1 LEU A 104 2.328 -9.813 0.445 1.00 0.00 C ATOM 284 CD2 LEU A 104 0.443 -10.658 1.856 1.00 0.00 C ATOM 0 H LEU A 104 -2.316 -9.673 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 104 0.033 -8.308 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.789 -10.857 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.531 -10.271 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 104 1.352 -11.696 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.030 -10.173 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.790 -9.873 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.065 -8.777 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.170 -11.007 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.134 -9.643 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.427 -11.315 1.867 1.00 0.00 H new ATOM 296 N GLN A 105 -0.997 -7.816 -2.574 1.00 0.00 N ATOM 297 CA GLN A 105 -0.767 -7.047 -3.791 1.00 0.00 C ATOM 298 C GLN A 105 -1.005 -5.561 -3.550 1.00 0.00 C ATOM 299 O GLN A 105 -1.840 -4.941 -4.208 1.00 0.00 O ATOM 300 CB GLN A 105 -1.678 -7.546 -4.915 1.00 0.00 C ATOM 301 CG GLN A 105 -1.429 -8.995 -5.302 1.00 0.00 C ATOM 302 CD GLN A 105 -0.563 -9.128 -6.540 1.00 0.00 C ATOM 303 OE1 GLN A 105 0.600 -8.725 -6.543 1.00 0.00 O ATOM 304 NE2 GLN A 105 -1.128 -9.696 -7.599 1.00 0.00 N ATOM 0 H GLN A 105 -1.916 -8.254 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 105 0.273 -7.186 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.717 -7.435 -4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.537 -6.915 -5.793 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -0.950 -9.512 -4.471 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.384 -9.490 -5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.096 -10.015 -7.551 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.594 -9.813 -8.460 1.00 0.00 H new ATOM 313 N SER A 106 -0.266 -4.994 -2.601 1.00 0.00 N ATOM 314 CA SER A 106 -0.400 -3.581 -2.270 1.00 0.00 C ATOM 315 C SER A 106 0.315 -2.711 -3.299 1.00 0.00 C ATOM 316 O SER A 106 -0.254 -1.750 -3.818 1.00 0.00 O ATOM 317 CB SER A 106 0.165 -3.307 -0.874 1.00 0.00 C ATOM 318 OG SER A 106 -0.186 -4.339 0.030 1.00 0.00 O ATOM 0 H SER A 106 0.432 -5.492 -2.048 1.00 0.00 H new ATOM 0 HA SER A 106 -1.461 -3.330 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.250 -3.220 -0.928 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.213 -2.353 -0.506 1.00 0.00 H new ATOM 0 HG SER A 106 -0.983 -4.805 -0.299 1.00 0.00 H new ATOM 324 N GLN A 107 1.565 -3.056 -3.592 1.00 0.00 N ATOM 325 CA GLN A 107 2.358 -2.307 -4.558 1.00 0.00 C ATOM 326 C GLN A 107 1.645 -2.231 -5.905 1.00 0.00 C ATOM 327 O GLN A 107 1.795 -1.258 -6.642 1.00 0.00 O ATOM 328 CB GLN A 107 3.733 -2.953 -4.733 1.00 0.00 C ATOM 329 CG GLN A 107 4.632 -2.807 -3.515 1.00 0.00 C ATOM 330 CD GLN A 107 6.044 -2.393 -3.879 1.00 0.00 C ATOM 331 OE1 GLN A 107 6.250 -1.513 -4.715 1.00 0.00 O ATOM 332 NE2 GLN A 107 7.028 -3.028 -3.252 1.00 0.00 N ATOM 0 H GLN A 107 2.050 -3.850 -3.174 1.00 0.00 H new ATOM 0 HA GLN A 107 2.486 -1.294 -4.176 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.602 -4.012 -4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.228 -2.507 -5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.204 -2.068 -2.838 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.663 -3.753 -2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.813 -3.751 -2.566 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.999 -2.792 -3.457 1.00 0.00 H new ATOM 341 N GLN A 108 0.870 -3.265 -6.218 1.00 0.00 N ATOM 342 CA GLN A 108 0.135 -3.315 -7.476 1.00 0.00 C ATOM 343 C GLN A 108 -1.112 -2.438 -7.414 1.00 0.00 C ATOM 344 O GLN A 108 -1.577 -1.930 -8.434 1.00 0.00 O ATOM 345 CB GLN A 108 -0.257 -4.756 -7.805 1.00 0.00 C ATOM 346 CG GLN A 108 0.877 -5.574 -8.401 1.00 0.00 C ATOM 347 CD GLN A 108 0.484 -6.262 -9.693 1.00 0.00 C ATOM 348 OE1 GLN A 108 0.172 -5.608 -10.688 1.00 0.00 O ATOM 349 NE2 GLN A 108 0.496 -7.590 -9.685 1.00 0.00 N ATOM 0 H GLN A 108 0.735 -4.079 -5.618 1.00 0.00 H new ATOM 0 HA GLN A 108 0.786 -2.934 -8.263 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.608 -5.245 -6.896 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -1.093 -4.746 -8.504 1.00 0.00 H new ATOM 0 HG2 GLN A 108 1.731 -4.923 -8.586 1.00 0.00 H new ATOM 0 HG3 GLN A 108 1.198 -6.324 -7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 108 0.761 -8.093 -8.838 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.240 -8.107 -10.526 1.00 0.00 H new ATOM 358 N ASP A 109 -1.648 -2.265 -6.211 1.00 0.00 N ATOM 359 CA ASP A 109 -2.840 -1.449 -6.014 1.00 0.00 C ATOM 360 C ASP A 109 -2.469 -0.057 -5.512 1.00 0.00 C ATOM 361 O ASP A 109 -3.188 0.535 -4.708 1.00 0.00 O ATOM 362 CB ASP A 109 -3.790 -2.125 -5.025 1.00 0.00 C ATOM 363 CG ASP A 109 -5.243 -1.783 -5.291 1.00 0.00 C ATOM 364 OD1 ASP A 109 -5.499 -0.760 -5.962 1.00 0.00 O ATOM 365 OD2 ASP A 109 -6.124 -2.537 -4.829 1.00 0.00 O ATOM 0 H ASP A 109 -1.275 -2.679 -5.357 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.343 -1.347 -6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.658 -3.206 -5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.529 -1.823 -4.011 1.00 0.00 H new ATOM 370 N ASP A 110 -1.344 0.459 -5.993 1.00 0.00 N ATOM 371 CA ASP A 110 -0.877 1.782 -5.593 1.00 0.00 C ATOM 372 C ASP A 110 -1.224 2.823 -6.653 1.00 0.00 C ATOM 373 O ASP A 110 -1.452 3.992 -6.337 1.00 0.00 O ATOM 374 CB ASP A 110 0.634 1.762 -5.354 1.00 0.00 C ATOM 375 CG ASP A 110 0.990 1.934 -3.891 1.00 0.00 C ATOM 376 OD1 ASP A 110 0.967 3.084 -3.405 1.00 0.00 O ATOM 377 OD2 ASP A 110 1.292 0.917 -3.231 1.00 0.00 O ATOM 0 H ASP A 110 -0.738 -0.018 -6.660 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.380 2.053 -4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 110 1.044 0.819 -5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 110 1.101 2.557 -5.935 1.00 0.00 H new ATOM 382 N ILE A 111 -1.260 2.392 -7.909 1.00 0.00 N ATOM 383 CA ILE A 111 -1.579 3.288 -9.014 1.00 0.00 C ATOM 384 C ILE A 111 -3.050 3.690 -8.989 1.00 0.00 C ATOM 385 O ILE A 111 -3.379 4.876 -9.003 1.00 0.00 O ATOM 386 CB ILE A 111 -1.258 2.640 -10.373 1.00 0.00 C ATOM 387 CG1 ILE A 111 0.184 2.128 -10.392 1.00 0.00 C ATOM 388 CG2 ILE A 111 -1.488 3.634 -11.502 1.00 0.00 C ATOM 389 CD1 ILE A 111 1.210 3.206 -10.129 1.00 0.00 C ATOM 0 H ILE A 111 -1.072 1.429 -8.187 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.960 4.177 -8.889 1.00 0.00 H new ATOM 0 HB ILE A 111 -1.926 1.792 -10.520 1.00 0.00 H new ATOM 0 HG12 ILE A 111 0.293 1.344 -9.643 1.00 0.00 H new ATOM 0 HG13 ILE A 111 0.387 1.673 -11.362 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -1.257 3.161 -12.456 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.530 3.954 -11.499 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.842 4.501 -11.361 1.00 0.00 H new ATOM 0 HD11 ILE A 111 2.209 2.772 -10.157 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.129 3.980 -10.892 1.00 0.00 H new ATOM 0 HD13 ILE A 111 1.033 3.645 -9.147 1.00 0.00 H new ATOM 401 N ASP A 112 -3.929 2.695 -8.950 1.00 0.00 N ATOM 402 CA ASP A 112 -5.365 2.945 -8.920 1.00 0.00 C ATOM 403 C ASP A 112 -5.753 3.736 -7.675 1.00 0.00 C ATOM 404 O ASP A 112 -6.756 4.450 -7.668 1.00 0.00 O ATOM 405 CB ASP A 112 -6.135 1.624 -8.961 1.00 0.00 C ATOM 406 CG ASP A 112 -5.781 0.785 -10.172 1.00 0.00 C ATOM 407 OD1 ASP A 112 -4.655 0.245 -10.212 1.00 0.00 O ATOM 408 OD2 ASP A 112 -6.629 0.667 -11.080 1.00 0.00 O ATOM 0 H ASP A 112 -3.672 1.708 -8.938 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.625 3.535 -9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.924 1.056 -8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.205 1.831 -8.966 1.00 0.00 H new ATOM 413 N PHE A 113 -4.953 3.602 -6.622 1.00 0.00 N ATOM 414 CA PHE A 113 -5.214 4.303 -5.371 1.00 0.00 C ATOM 415 C PHE A 113 -4.843 5.778 -5.486 1.00 0.00 C ATOM 416 O PHE A 113 -5.478 6.640 -4.877 1.00 0.00 O ATOM 417 CB PHE A 113 -4.431 3.655 -4.227 1.00 0.00 C ATOM 418 CG PHE A 113 -5.288 3.273 -3.054 1.00 0.00 C ATOM 419 CD1 PHE A 113 -5.838 4.246 -2.235 1.00 0.00 C ATOM 420 CD2 PHE A 113 -5.542 1.941 -2.770 1.00 0.00 C ATOM 421 CE1 PHE A 113 -6.628 3.898 -1.155 1.00 0.00 C ATOM 422 CE2 PHE A 113 -6.331 1.587 -1.692 1.00 0.00 C ATOM 423 CZ PHE A 113 -6.874 2.567 -0.883 1.00 0.00 C ATOM 0 H PHE A 113 -4.119 3.015 -6.611 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.281 4.231 -5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.925 2.765 -4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.656 4.345 -3.891 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -5.647 5.289 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.119 1.171 -3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -7.052 4.666 -0.525 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.523 0.545 -1.482 1.00 0.00 H new ATOM 0 HZ PHE A 113 -7.490 2.292 -0.039 1.00 0.00 H new ATOM 433 N LYS A 114 -3.809 6.063 -6.270 1.00 0.00 N ATOM 434 CA LYS A 114 -3.351 7.433 -6.467 1.00 0.00 C ATOM 435 C LYS A 114 -4.446 8.287 -7.098 1.00 0.00 C ATOM 436 O LYS A 114 -4.771 9.365 -6.600 1.00 0.00 O ATOM 437 CB LYS A 114 -2.101 7.453 -7.349 1.00 0.00 C ATOM 438 CG LYS A 114 -1.143 8.586 -7.021 1.00 0.00 C ATOM 439 CD LYS A 114 0.158 8.064 -6.435 1.00 0.00 C ATOM 440 CE LYS A 114 1.223 7.893 -7.506 1.00 0.00 C ATOM 441 NZ LYS A 114 2.470 7.292 -6.958 1.00 0.00 N ATOM 0 H LYS A 114 -3.272 5.362 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.106 7.852 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.577 6.503 -7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.404 7.535 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -0.932 9.159 -7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.614 9.269 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.517 8.754 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.021 7.108 -5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.836 7.261 -8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.451 8.862 -7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 3.171 7.192 -7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 2.854 7.908 -6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 2.258 6.356 -6.558 1.00 0.00 H new ATOM 455 N ARG A 115 -5.012 7.797 -8.197 1.00 0.00 N ATOM 456 CA ARG A 115 -6.070 8.516 -8.895 1.00 0.00 C ATOM 457 C ARG A 115 -7.213 8.859 -7.946 1.00 0.00 C ATOM 458 O ARG A 115 -7.816 9.928 -8.044 1.00 0.00 O ATOM 459 CB ARG A 115 -6.597 7.681 -10.064 1.00 0.00 C ATOM 460 CG ARG A 115 -6.157 8.193 -11.425 1.00 0.00 C ATOM 461 CD ARG A 115 -4.798 7.636 -11.818 1.00 0.00 C ATOM 462 NE ARG A 115 -3.851 8.693 -12.161 1.00 0.00 N ATOM 463 CZ ARG A 115 -2.647 8.464 -12.672 1.00 0.00 C ATOM 464 NH1 ARG A 115 -2.244 7.222 -12.899 1.00 0.00 N ATOM 465 NH2 ARG A 115 -1.842 9.480 -12.958 1.00 0.00 N ATOM 0 H ARG A 115 -4.755 6.906 -8.622 1.00 0.00 H new ATOM 0 HA ARG A 115 -5.650 9.445 -9.280 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -6.259 6.652 -9.946 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.686 7.665 -10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -6.896 7.914 -12.176 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -6.114 9.282 -11.409 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -4.398 7.044 -10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.914 6.964 -12.668 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.130 9.661 -11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -2.859 6.438 -12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -1.318 7.050 -13.292 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.148 10.438 -12.785 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -0.917 9.303 -13.350 1.00 0.00 H new ATOM 479 N ALA A 116 -7.507 7.945 -7.027 1.00 0.00 N ATOM 480 CA ALA A 116 -8.576 8.152 -6.058 1.00 0.00 C ATOM 481 C ALA A 116 -8.327 9.404 -5.224 1.00 0.00 C ATOM 482 O ALA A 116 -9.266 10.034 -4.739 1.00 0.00 O ATOM 483 CB ALA A 116 -8.715 6.934 -5.157 1.00 0.00 C ATOM 0 H ALA A 116 -7.020 7.054 -6.933 1.00 0.00 H new ATOM 0 HA ALA A 116 -9.507 8.293 -6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.517 7.103 -4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -8.949 6.058 -5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -7.779 6.767 -4.624 1.00 0.00 H new ATOM 489 N GLU A 117 -7.056 9.757 -5.061 1.00 0.00 N ATOM 490 CA GLU A 117 -6.685 10.933 -4.283 1.00 0.00 C ATOM 491 C GLU A 117 -6.588 12.167 -5.176 1.00 0.00 C ATOM 492 O GLU A 117 -6.936 13.275 -4.763 1.00 0.00 O ATOM 493 CB GLU A 117 -5.352 10.700 -3.569 1.00 0.00 C ATOM 494 CG GLU A 117 -5.434 9.682 -2.445 1.00 0.00 C ATOM 495 CD GLU A 117 -6.395 10.098 -1.349 1.00 0.00 C ATOM 496 OE1 GLU A 117 -6.282 11.245 -0.865 1.00 0.00 O ATOM 497 OE2 GLU A 117 -7.259 9.279 -0.974 1.00 0.00 O ATOM 0 H GLU A 117 -6.267 9.246 -5.457 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.462 11.105 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -4.613 10.366 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.996 11.647 -3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -5.748 8.721 -2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -4.442 9.538 -2.017 1.00 0.00 H new ATOM 504 N LEU A 118 -6.111 11.969 -6.399 1.00 0.00 N ATOM 505 CA LEU A 118 -5.966 13.064 -7.352 1.00 0.00 C ATOM 506 C LEU A 118 -7.312 13.728 -7.627 1.00 0.00 C ATOM 507 O LEU A 118 -7.385 14.935 -7.856 1.00 0.00 O ATOM 508 CB LEU A 118 -5.360 12.553 -8.660 1.00 0.00 C ATOM 509 CG LEU A 118 -4.085 13.254 -9.128 1.00 0.00 C ATOM 510 CD1 LEU A 118 -3.189 12.285 -9.883 1.00 0.00 C ATOM 511 CD2 LEU A 118 -4.425 14.457 -9.995 1.00 0.00 C ATOM 0 H LEU A 118 -5.818 11.059 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.297 13.806 -6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -5.146 11.490 -8.547 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.110 12.645 -9.445 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.544 13.607 -8.250 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.286 12.802 -10.208 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.917 11.456 -9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.721 11.901 -10.754 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.505 14.944 -10.319 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.989 14.129 -10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -5.025 15.162 -9.420 1.00 0.00 H new ATOM 523 N ALA A 119 -8.375 12.931 -7.599 1.00 0.00 N ATOM 524 CA ALA A 119 -9.719 13.442 -7.840 1.00 0.00 C ATOM 525 C ALA A 119 -10.142 14.415 -6.745 1.00 0.00 C ATOM 526 O ALA A 119 -10.941 15.322 -6.981 1.00 0.00 O ATOM 527 CB ALA A 119 -10.710 12.292 -7.939 1.00 0.00 C ATOM 0 H ALA A 119 -8.332 11.929 -7.412 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.711 13.983 -8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -11.710 12.688 -8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -10.426 11.636 -8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -10.706 11.727 -7.007 1.00 0.00 H new ATOM 533 N LEU A 120 -9.603 14.220 -5.547 1.00 0.00 N ATOM 534 CA LEU A 120 -9.925 15.080 -4.414 1.00 0.00 C ATOM 535 C LEU A 120 -9.162 16.398 -4.497 1.00 0.00 C ATOM 536 O LEU A 120 -9.713 17.466 -4.228 1.00 0.00 O ATOM 537 CB LEU A 120 -9.597 14.370 -3.099 1.00 0.00 C ATOM 538 CG LEU A 120 -10.761 14.195 -2.123 1.00 0.00 C ATOM 539 CD1 LEU A 120 -10.726 12.811 -1.494 1.00 0.00 C ATOM 540 CD2 LEU A 120 -10.721 15.272 -1.048 1.00 0.00 C ATOM 0 H LEU A 120 -8.941 13.474 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 120 -10.993 15.296 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.193 13.385 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -8.807 14.927 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 120 -11.694 14.297 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -11.562 12.704 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.803 12.054 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.789 12.681 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -11.556 15.132 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.783 15.201 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.795 16.254 -1.514 1.00 0.00 H new ATOM 552 N LYS A 121 -7.890 16.317 -4.872 1.00 0.00 N ATOM 553 CA LYS A 121 -7.051 17.503 -4.995 1.00 0.00 C ATOM 554 C LYS A 121 -6.442 17.597 -6.391 1.00 0.00 C ATOM 555 O LYS A 121 -5.516 16.859 -6.725 1.00 0.00 O ATOM 556 CB LYS A 121 -5.939 17.477 -3.943 1.00 0.00 C ATOM 557 CG LYS A 121 -6.452 17.347 -2.519 1.00 0.00 C ATOM 558 CD LYS A 121 -5.865 16.130 -1.824 1.00 0.00 C ATOM 559 CE LYS A 121 -6.839 15.540 -0.816 1.00 0.00 C ATOM 560 NZ LYS A 121 -6.519 15.960 0.576 1.00 0.00 N ATOM 0 H LYS A 121 -7.417 15.441 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 121 -7.678 18.380 -4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.268 16.645 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.350 18.390 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -6.199 18.246 -1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -7.539 17.273 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -5.606 15.375 -2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -4.941 16.409 -1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -7.853 15.852 -1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -6.815 14.452 -0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -7.206 15.537 1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -5.561 15.640 0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -6.567 16.997 0.646 1.00 0.00 H new ATOM 574 N ARG A 122 -6.968 18.511 -7.200 1.00 0.00 N ATOM 575 CA ARG A 122 -6.476 18.702 -8.559 1.00 0.00 C ATOM 576 C ARG A 122 -5.850 20.084 -8.722 1.00 0.00 C ATOM 577 O ARG A 122 -5.612 20.541 -9.838 1.00 0.00 O ATOM 578 CB ARG A 122 -7.614 18.524 -9.565 1.00 0.00 C ATOM 579 CG ARG A 122 -8.798 19.442 -9.314 1.00 0.00 C ATOM 580 CD ARG A 122 -10.004 18.670 -8.801 1.00 0.00 C ATOM 581 NE ARG A 122 -10.901 19.513 -8.016 1.00 0.00 N ATOM 582 CZ ARG A 122 -12.096 19.119 -7.590 1.00 0.00 C ATOM 583 NH1 ARG A 122 -12.535 17.900 -7.874 1.00 0.00 N ATOM 584 NH2 ARG A 122 -12.854 19.943 -6.881 1.00 0.00 N ATOM 0 H ARG A 122 -7.735 19.131 -6.938 1.00 0.00 H new ATOM 0 HA ARG A 122 -5.710 17.951 -8.750 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -7.231 18.705 -10.569 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -7.955 17.489 -9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.519 20.207 -8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.061 19.958 -10.237 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -10.550 18.248 -9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -9.665 17.833 -8.190 1.00 0.00 H new ATOM 0 HE ARG A 122 -10.593 20.457 -7.782 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -11.955 17.263 -8.420 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -13.453 17.599 -7.546 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -12.520 20.882 -6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -13.771 19.639 -6.555 1.00 0.00 H new ATOM 598 N ALA A 123 -5.587 20.745 -7.599 1.00 0.00 N ATOM 599 CA ALA A 123 -4.989 22.074 -7.617 1.00 0.00 C ATOM 600 C ALA A 123 -3.636 22.057 -8.321 1.00 0.00 C ATOM 601 O ALA A 123 -3.266 23.016 -8.997 1.00 0.00 O ATOM 602 CB ALA A 123 -4.841 22.606 -6.199 1.00 0.00 C ATOM 0 H ALA A 123 -5.779 20.381 -6.666 1.00 0.00 H new ATOM 0 HA ALA A 123 -5.652 22.736 -8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.393 23.599 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -5.822 22.664 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -4.202 21.936 -5.624 1.00 0.00 H new ATOM 608 N MET A 124 -2.902 20.961 -8.157 1.00 0.00 N ATOM 609 CA MET A 124 -1.590 20.819 -8.777 1.00 0.00 C ATOM 610 C MET A 124 -1.680 21.014 -10.288 1.00 0.00 C ATOM 611 O MET A 124 -0.762 21.548 -10.909 1.00 0.00 O ATOM 612 CB MET A 124 -0.999 19.444 -8.463 1.00 0.00 C ATOM 613 CG MET A 124 -0.714 19.229 -6.985 1.00 0.00 C ATOM 614 SD MET A 124 -1.374 17.667 -6.371 1.00 0.00 S ATOM 615 CE MET A 124 -2.034 18.178 -4.786 1.00 0.00 C ATOM 0 H MET A 124 -3.194 20.158 -7.600 1.00 0.00 H new ATOM 0 HA MET A 124 -0.936 21.589 -8.366 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.689 18.674 -8.808 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.074 19.318 -9.025 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.363 19.254 -6.819 1.00 0.00 H new ATOM 0 HG3 MET A 124 -1.144 20.051 -6.413 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.478 17.319 -4.283 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.231 18.583 -4.171 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.795 18.943 -4.938 1.00 0.00 H new ATOM 625 N ASN A 125 -2.791 20.577 -10.871 1.00 0.00 N ATOM 626 CA ASN A 125 -2.999 20.703 -12.309 1.00 0.00 C ATOM 627 C ASN A 125 -3.266 22.155 -12.695 1.00 0.00 C ATOM 628 O ASN A 125 -2.687 22.670 -13.651 1.00 0.00 O ATOM 629 CB ASN A 125 -4.167 19.821 -12.755 1.00 0.00 C ATOM 630 CG ASN A 125 -3.901 19.139 -14.083 1.00 0.00 C ATOM 631 OD1 ASN A 125 -3.162 19.654 -14.922 1.00 0.00 O ATOM 632 ND2 ASN A 125 -4.506 17.973 -14.280 1.00 0.00 N ATOM 0 H ASN A 125 -3.561 20.133 -10.370 1.00 0.00 H new ATOM 0 HA ASN A 125 -2.091 20.373 -12.813 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -4.360 19.065 -11.994 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -5.068 20.429 -12.836 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -4.366 17.467 -15.155 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -5.110 17.583 -13.557 1.00 0.00 H new ATOM 639 N ARG A 126 -4.147 22.808 -11.944 1.00 0.00 N ATOM 640 CA ARG A 126 -4.492 24.200 -12.208 1.00 0.00 C ATOM 641 C ARG A 126 -3.241 25.073 -12.243 1.00 0.00 C ATOM 642 O ARG A 126 -3.184 26.066 -12.970 1.00 0.00 O ATOM 643 CB ARG A 126 -5.458 24.719 -11.142 1.00 0.00 C ATOM 644 CG ARG A 126 -6.899 24.808 -11.618 1.00 0.00 C ATOM 645 CD ARG A 126 -7.049 25.803 -12.758 1.00 0.00 C ATOM 646 NE ARG A 126 -8.176 26.707 -12.551 1.00 0.00 N ATOM 647 CZ ARG A 126 -8.670 27.496 -13.499 1.00 0.00 C ATOM 648 NH1 ARG A 126 -8.138 27.490 -14.713 1.00 0.00 N ATOM 649 NH2 ARG A 126 -9.698 28.292 -13.234 1.00 0.00 N ATOM 0 H ARG A 126 -4.635 22.396 -11.148 1.00 0.00 H new ATOM 0 HA ARG A 126 -4.976 24.249 -13.183 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.411 24.064 -10.272 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.130 25.706 -10.816 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -7.237 23.825 -11.945 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -7.540 25.105 -10.788 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -6.132 26.384 -12.855 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -7.185 25.263 -13.695 1.00 0.00 H new ATOM 0 HE ARG A 126 -8.608 26.735 -11.628 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -7.348 26.879 -14.921 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -8.519 28.096 -15.440 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -10.110 28.299 -12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -10.076 28.897 -13.963 1.00 0.00 H new ATOM 663 N LEU A 127 -2.240 24.696 -11.454 1.00 0.00 N ATOM 664 CA LEU A 127 -0.990 25.444 -11.396 1.00 0.00 C ATOM 665 C LEU A 127 0.034 24.873 -12.372 1.00 0.00 C ATOM 666 O LEU A 127 0.489 25.563 -13.283 1.00 0.00 O ATOM 667 CB LEU A 127 -0.425 25.419 -9.974 1.00 0.00 C ATOM 668 CG LEU A 127 -1.365 25.903 -8.870 1.00 0.00 C ATOM 669 CD1 LEU A 127 -0.979 25.290 -7.533 1.00 0.00 C ATOM 670 CD2 LEU A 127 -1.350 27.423 -8.786 1.00 0.00 C ATOM 0 H LEU A 127 -2.270 23.877 -10.846 1.00 0.00 H new ATOM 0 HA LEU A 127 -1.199 26.475 -11.681 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.121 24.398 -9.743 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.476 26.032 -9.952 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.378 25.582 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.659 25.646 -6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.042 24.204 -7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.041 25.580 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.025 27.750 -7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.339 27.765 -8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.676 27.843 -9.738 1.00 0.00 H new TER 682 LEU A 127