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 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 105 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.4!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -0.591 K(o=-0.59,f=-3.6!) 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 K(o=0,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 -18.222 -27.689 2.096 1.00 0.00 N ATOM 2 CA ILE A 88 -18.206 -26.232 2.136 1.00 0.00 C ATOM 3 C ILE A 88 -16.975 -25.716 2.873 1.00 0.00 C ATOM 4 O ILE A 88 -16.509 -24.604 2.622 1.00 0.00 O ATOM 5 CB ILE A 88 -19.470 -25.674 2.816 1.00 0.00 C ATOM 6 CG1 ILE A 88 -19.564 -26.177 4.258 1.00 0.00 C ATOM 7 CG2 ILE A 88 -20.712 -26.066 2.030 1.00 0.00 C ATOM 8 CD1 ILE A 88 -19.379 -25.088 5.292 1.00 0.00 C ATOM 0 HA ILE A 88 -18.178 -25.888 1.102 1.00 0.00 H new ATOM 0 HB ILE A 88 -19.405 -24.586 2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -20.536 -26.647 4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -18.810 -26.948 4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -21.597 -25.664 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -20.645 -25.663 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -20.785 -27.153 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -19.458 -25.517 6.291 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -18.396 -24.633 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -20.149 -24.328 5.162 1.00 0.00 H new ATOM 20 N ASP A 89 -16.452 -26.530 3.783 1.00 0.00 N ATOM 21 CA ASP A 89 -15.272 -26.158 4.555 1.00 0.00 C ATOM 22 C ASP A 89 -14.101 -25.830 3.634 1.00 0.00 C ATOM 23 O ASP A 89 -13.496 -24.763 3.739 1.00 0.00 O ATOM 24 CB ASP A 89 -14.885 -27.287 5.511 1.00 0.00 C ATOM 25 CG ASP A 89 -15.699 -27.269 6.789 1.00 0.00 C ATOM 26 OD1 ASP A 89 -16.849 -26.783 6.753 1.00 0.00 O ATOM 27 OD2 ASP A 89 -15.188 -27.743 7.825 1.00 0.00 O ATOM 0 H ASP A 89 -16.827 -27.452 4.004 1.00 0.00 H new ATOM 0 HA ASP A 89 -15.514 -25.268 5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -15.022 -28.246 5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -13.826 -27.204 5.757 1.00 0.00 H new ATOM 32 N VAL A 90 -13.786 -26.754 2.732 1.00 0.00 N ATOM 33 CA VAL A 90 -12.688 -26.563 1.793 1.00 0.00 C ATOM 34 C VAL A 90 -12.854 -25.265 1.011 1.00 0.00 C ATOM 35 O VAL A 90 -11.878 -24.565 0.735 1.00 0.00 O ATOM 36 CB VAL A 90 -12.587 -27.737 0.802 1.00 0.00 C ATOM 37 CG1 VAL A 90 -11.390 -27.557 -0.119 1.00 0.00 C ATOM 38 CG2 VAL A 90 -12.500 -29.059 1.550 1.00 0.00 C ATOM 0 H VAL A 90 -14.276 -27.643 2.632 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.772 -26.515 2.382 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.488 -27.751 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.335 -28.396 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.499 -26.629 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.477 -27.516 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.429 -29.878 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.617 -29.058 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.392 -29.189 2.163 1.00 0.00 H new ATOM 48 N LEU A 91 -14.094 -24.949 0.655 1.00 0.00 N ATOM 49 CA LEU A 91 -14.389 -23.733 -0.096 1.00 0.00 C ATOM 50 C LEU A 91 -13.996 -22.493 0.700 1.00 0.00 C ATOM 51 O LEU A 91 -13.243 -21.647 0.218 1.00 0.00 O ATOM 52 CB LEU A 91 -15.876 -23.677 -0.449 1.00 0.00 C ATOM 53 CG LEU A 91 -16.209 -23.602 -1.940 1.00 0.00 C ATOM 54 CD1 LEU A 91 -16.222 -24.993 -2.555 1.00 0.00 C ATOM 55 CD2 LEU A 91 -17.547 -22.909 -2.153 1.00 0.00 C ATOM 0 H LEU A 91 -14.912 -25.518 0.874 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.804 -23.752 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -16.361 -24.560 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.314 -22.810 0.045 1.00 0.00 H new ATOM 0 HG LEU A 91 -15.436 -23.016 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -16.461 -24.920 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.241 -25.453 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -16.973 -25.605 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -17.768 -22.864 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -18.332 -23.468 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -17.501 -21.898 -1.749 1.00 0.00 H new ATOM 67 N ARG A 92 -14.510 -22.393 1.922 1.00 0.00 N ATOM 68 CA ARG A 92 -14.212 -21.257 2.785 1.00 0.00 C ATOM 69 C ARG A 92 -12.707 -21.112 2.993 1.00 0.00 C ATOM 70 O ARG A 92 -12.163 -20.011 2.914 1.00 0.00 O ATOM 71 CB ARG A 92 -14.911 -21.418 4.136 1.00 0.00 C ATOM 72 CG ARG A 92 -15.185 -20.100 4.841 1.00 0.00 C ATOM 73 CD ARG A 92 -16.674 -19.800 4.904 1.00 0.00 C ATOM 74 NE ARG A 92 -17.007 -18.911 6.014 1.00 0.00 N ATOM 75 CZ ARG A 92 -18.251 -18.675 6.419 1.00 0.00 C ATOM 76 NH1 ARG A 92 -19.272 -19.259 5.808 1.00 0.00 N ATOM 77 NH2 ARG A 92 -18.473 -17.854 7.437 1.00 0.00 N ATOM 0 H ARG A 92 -15.135 -23.085 2.336 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.583 -20.355 2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.854 -21.944 3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.296 -22.044 4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.777 -20.135 5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -14.672 -19.293 4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -16.992 -19.344 3.966 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -17.228 -20.733 5.008 1.00 0.00 H new ATOM 0 HE ARG A 92 -16.244 -18.446 6.505 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -19.104 -19.891 5.025 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -20.226 -19.076 6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -17.689 -17.404 7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -19.428 -17.673 7.747 1.00 0.00 H new ATOM 91 N ALA A 93 -12.042 -22.230 3.261 1.00 0.00 N ATOM 92 CA ALA A 93 -10.600 -22.228 3.479 1.00 0.00 C ATOM 93 C ALA A 93 -9.859 -21.731 2.243 1.00 0.00 C ATOM 94 O ALA A 93 -8.927 -20.932 2.344 1.00 0.00 O ATOM 95 CB ALA A 93 -10.122 -23.622 3.859 1.00 0.00 C ATOM 0 H ALA A 93 -12.478 -23.149 3.333 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.382 -21.545 4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.044 -23.606 4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.620 -23.940 4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.359 -24.320 3.056 1.00 0.00 H new ATOM 101 N LYS A 94 -10.278 -22.208 1.076 1.00 0.00 N ATOM 102 CA LYS A 94 -9.654 -21.812 -0.181 1.00 0.00 C ATOM 103 C LYS A 94 -9.929 -20.343 -0.486 1.00 0.00 C ATOM 104 O LYS A 94 -9.071 -19.638 -1.018 1.00 0.00 O ATOM 105 CB LYS A 94 -10.168 -22.686 -1.327 1.00 0.00 C ATOM 106 CG LYS A 94 -9.475 -24.034 -1.422 1.00 0.00 C ATOM 107 CD LYS A 94 -8.524 -24.089 -2.605 1.00 0.00 C ATOM 108 CE LYS A 94 -7.547 -25.249 -2.482 1.00 0.00 C ATOM 109 NZ LYS A 94 -6.427 -25.138 -3.457 1.00 0.00 N ATOM 0 H LYS A 94 -11.048 -22.870 0.974 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.577 -21.949 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.239 -22.846 -1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.036 -22.152 -2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.924 -24.227 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.222 -24.822 -1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.095 -24.189 -3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.971 -23.152 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.145 -25.279 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.076 -26.188 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.784 -25.947 -3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.808 -25.135 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.906 -24.254 -3.288 1.00 0.00 H new ATOM 123 N ALA A 95 -11.129 -19.887 -0.144 1.00 0.00 N ATOM 124 CA ALA A 95 -11.515 -18.501 -0.378 1.00 0.00 C ATOM 125 C ALA A 95 -10.693 -17.549 0.486 1.00 0.00 C ATOM 126 O ALA A 95 -10.362 -16.442 0.063 1.00 0.00 O ATOM 127 CB ALA A 95 -13.000 -18.313 -0.107 1.00 0.00 C ATOM 0 H ALA A 95 -11.851 -20.457 0.296 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.315 -18.266 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.274 -17.273 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.575 -18.959 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.216 -18.572 0.929 1.00 0.00 H new ATOM 133 N ALA A 96 -10.368 -17.988 1.697 1.00 0.00 N ATOM 134 CA ALA A 96 -9.584 -17.175 2.619 1.00 0.00 C ATOM 135 C ALA A 96 -8.186 -16.915 2.068 1.00 0.00 C ATOM 136 O ALA A 96 -7.631 -15.830 2.242 1.00 0.00 O ATOM 137 CB ALA A 96 -9.500 -17.853 3.979 1.00 0.00 C ATOM 0 H ALA A 96 -10.635 -18.902 2.063 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.085 -16.214 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.912 -17.235 4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.504 -17.982 4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.024 -18.828 3.871 1.00 0.00 H new ATOM 143 N LYS A 97 -7.621 -17.917 1.405 1.00 0.00 N ATOM 144 CA LYS A 97 -6.287 -17.797 0.828 1.00 0.00 C ATOM 145 C LYS A 97 -6.279 -16.795 -0.322 1.00 0.00 C ATOM 146 O LYS A 97 -5.386 -15.954 -0.417 1.00 0.00 O ATOM 147 CB LYS A 97 -5.798 -19.161 0.332 1.00 0.00 C ATOM 148 CG LYS A 97 -4.355 -19.155 -0.141 1.00 0.00 C ATOM 149 CD LYS A 97 -4.193 -19.917 -1.445 1.00 0.00 C ATOM 150 CE LYS A 97 -4.479 -19.031 -2.648 1.00 0.00 C ATOM 151 NZ LYS A 97 -4.572 -19.819 -3.908 1.00 0.00 N ATOM 0 H LYS A 97 -8.066 -18.822 1.253 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.614 -17.437 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.905 -19.890 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.438 -19.492 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.019 -18.127 -0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.719 -19.601 0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.179 -20.310 -1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.868 -20.773 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.412 -18.491 -2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.691 -18.284 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.768 -19.179 -4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.673 -20.314 -4.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.341 -20.515 -3.826 1.00 0.00 H new ATOM 165 N GLU A 98 -7.281 -16.890 -1.191 1.00 0.00 N ATOM 166 CA GLU A 98 -7.388 -15.990 -2.333 1.00 0.00 C ATOM 167 C GLU A 98 -7.636 -14.555 -1.874 1.00 0.00 C ATOM 168 O GLU A 98 -7.059 -13.612 -2.415 1.00 0.00 O ATOM 169 CB GLU A 98 -8.517 -16.441 -3.262 1.00 0.00 C ATOM 170 CG GLU A 98 -8.522 -15.730 -4.604 1.00 0.00 C ATOM 171 CD GLU A 98 -9.716 -16.106 -5.460 1.00 0.00 C ATOM 172 OE1 GLU A 98 -10.453 -17.037 -5.074 1.00 0.00 O ATOM 173 OE2 GLU A 98 -9.913 -15.468 -6.515 1.00 0.00 O ATOM 0 H GLU A 98 -8.029 -17.580 -1.126 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.444 -16.022 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.431 -17.515 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.473 -16.271 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.523 -14.652 -4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.605 -15.970 -5.141 1.00 0.00 H new ATOM 180 N ARG A 99 -8.496 -14.401 -0.874 1.00 0.00 N ATOM 181 CA ARG A 99 -8.822 -13.082 -0.342 1.00 0.00 C ATOM 182 C ARG A 99 -7.567 -12.374 0.159 1.00 0.00 C ATOM 183 O ARG A 99 -7.256 -11.263 -0.271 1.00 0.00 O ATOM 184 CB ARG A 99 -9.840 -13.204 0.793 1.00 0.00 C ATOM 185 CG ARG A 99 -11.176 -12.548 0.485 1.00 0.00 C ATOM 186 CD ARG A 99 -11.164 -11.068 0.835 1.00 0.00 C ATOM 187 NE ARG A 99 -12.388 -10.395 0.409 1.00 0.00 N ATOM 188 CZ ARG A 99 -12.533 -9.074 0.392 1.00 0.00 C ATOM 189 NH1 ARG A 99 -11.534 -8.289 0.773 1.00 0.00 N ATOM 190 NH2 ARG A 99 -13.677 -8.536 -0.009 1.00 0.00 N ATOM 0 H ARG A 99 -8.980 -15.172 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.256 -12.489 -1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.004 -14.259 1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.423 -12.754 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.408 -12.671 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.966 -13.049 1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.042 -10.951 1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.305 -10.591 0.363 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.175 -10.970 0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.652 -8.699 1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.648 -7.275 0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.447 -9.136 -0.305 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.787 -7.522 -0.022 1.00 0.00 H new ATOM 204 N ALA A 100 -6.850 -13.024 1.070 1.00 0.00 N ATOM 205 CA ALA A 100 -5.629 -12.456 1.628 1.00 0.00 C ATOM 206 C ALA A 100 -4.635 -12.103 0.528 1.00 0.00 C ATOM 207 O ALA A 100 -3.903 -11.119 0.634 1.00 0.00 O ATOM 208 CB ALA A 100 -5.001 -13.426 2.618 1.00 0.00 C ATOM 0 H ALA A 100 -7.094 -13.944 1.437 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.892 -11.537 2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.090 -12.989 3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.703 -13.625 3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.759 -14.359 2.109 1.00 0.00 H new ATOM 214 N GLU A 101 -4.614 -12.911 -0.527 1.00 0.00 N ATOM 215 CA GLU A 101 -3.707 -12.684 -1.646 1.00 0.00 C ATOM 216 C GLU A 101 -3.936 -11.305 -2.259 1.00 0.00 C ATOM 217 O GLU A 101 -2.986 -10.570 -2.531 1.00 0.00 O ATOM 218 CB GLU A 101 -3.895 -13.766 -2.711 1.00 0.00 C ATOM 219 CG GLU A 101 -2.856 -13.715 -3.819 1.00 0.00 C ATOM 220 CD GLU A 101 -1.558 -14.396 -3.432 1.00 0.00 C ATOM 221 OE1 GLU A 101 -1.546 -15.113 -2.410 1.00 0.00 O ATOM 222 OE2 GLU A 101 -0.554 -14.210 -4.151 1.00 0.00 O ATOM 0 H GLU A 101 -5.215 -13.729 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.685 -12.730 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.857 -14.745 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.888 -13.664 -3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.259 -14.191 -4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.654 -12.675 -4.075 1.00 0.00 H new ATOM 229 N ARG A 102 -5.201 -10.963 -2.475 1.00 0.00 N ATOM 230 CA ARG A 102 -5.555 -9.674 -3.058 1.00 0.00 C ATOM 231 C ARG A 102 -5.237 -8.535 -2.093 1.00 0.00 C ATOM 232 O ARG A 102 -4.912 -7.425 -2.513 1.00 0.00 O ATOM 233 CB ARG A 102 -7.040 -9.646 -3.425 1.00 0.00 C ATOM 234 CG ARG A 102 -7.409 -10.607 -4.543 1.00 0.00 C ATOM 235 CD ARG A 102 -8.905 -10.877 -4.575 1.00 0.00 C ATOM 236 NE ARG A 102 -9.388 -11.125 -5.931 1.00 0.00 N ATOM 237 CZ ARG A 102 -10.663 -11.347 -6.228 1.00 0.00 C ATOM 238 NH1 ARG A 102 -11.580 -11.351 -5.270 1.00 0.00 N ATOM 239 NH2 ARG A 102 -11.024 -11.566 -7.486 1.00 0.00 N ATOM 0 H ARG A 102 -5.998 -11.560 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.962 -9.538 -3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.629 -9.888 -2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.313 -8.634 -3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.093 -10.192 -5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -6.872 -11.546 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -9.131 -11.738 -3.946 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.436 -10.025 -4.151 1.00 0.00 H new ATOM 0 HE ARG A 102 -8.708 -11.128 -6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.307 -11.183 -4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.559 -11.522 -5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.322 -11.564 -8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.004 -11.736 -7.713 1.00 0.00 H new ATOM 253 N ARG A 103 -5.334 -8.819 -0.798 1.00 0.00 N ATOM 254 CA ARG A 103 -5.059 -7.819 0.226 1.00 0.00 C ATOM 255 C ARG A 103 -3.635 -7.287 0.097 1.00 0.00 C ATOM 256 O ARG A 103 -3.356 -6.137 0.442 1.00 0.00 O ATOM 257 CB ARG A 103 -5.268 -8.414 1.620 1.00 0.00 C ATOM 258 CG ARG A 103 -5.597 -7.377 2.682 1.00 0.00 C ATOM 259 CD ARG A 103 -5.584 -7.985 4.076 1.00 0.00 C ATOM 260 NE ARG A 103 -6.932 -8.155 4.611 1.00 0.00 N ATOM 261 CZ ARG A 103 -7.716 -7.142 4.962 1.00 0.00 C ATOM 262 NH1 ARG A 103 -7.290 -5.893 4.833 1.00 0.00 N ATOM 263 NH2 ARG A 103 -8.931 -7.377 5.441 1.00 0.00 N ATOM 0 H ARG A 103 -5.601 -9.734 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.753 -6.990 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.075 -9.146 1.576 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.367 -8.951 1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.875 -6.562 2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.578 -6.947 2.481 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.082 -8.952 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.006 -7.347 4.745 1.00 0.00 H new ATOM 0 HE ARG A 103 -7.291 -9.103 4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -6.358 -5.708 4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.895 -5.117 5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -9.263 -8.336 5.540 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.532 -6.598 5.710 1.00 0.00 H new ATOM 277 N LEU A 104 -2.736 -8.130 -0.401 1.00 0.00 N ATOM 278 CA LEU A 104 -1.340 -7.744 -0.575 1.00 0.00 C ATOM 279 C LEU A 104 -1.112 -7.133 -1.953 1.00 0.00 C ATOM 280 O LEU A 104 -0.618 -6.011 -2.071 1.00 0.00 O ATOM 281 CB LEU A 104 -0.428 -8.958 -0.385 1.00 0.00 C ATOM 282 CG LEU A 104 0.632 -8.836 0.709 1.00 0.00 C ATOM 283 CD1 LEU A 104 1.605 -7.712 0.387 1.00 0.00 C ATOM 284 CD2 LEU A 104 -0.022 -8.605 2.064 1.00 0.00 C ATOM 0 H LEU A 104 -2.949 -9.084 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.099 -6.994 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.051 -9.824 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.076 -9.160 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 104 1.190 -9.771 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.352 -7.640 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.099 -7.919 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.062 -6.770 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.749 -8.521 2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.606 -7.685 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.677 -9.443 2.299 1.00 0.00 H new ATOM 296 N GLN A 105 -1.477 -7.877 -2.993 1.00 0.00 N ATOM 297 CA GLN A 105 -1.313 -7.406 -4.363 1.00 0.00 C ATOM 298 C GLN A 105 -2.542 -6.630 -4.823 1.00 0.00 C ATOM 299 O GLN A 105 -3.099 -6.903 -5.886 1.00 0.00 O ATOM 300 CB GLN A 105 -1.060 -8.586 -5.303 1.00 0.00 C ATOM 301 CG GLN A 105 0.295 -9.247 -5.100 1.00 0.00 C ATOM 302 CD GLN A 105 0.274 -10.730 -5.415 1.00 0.00 C ATOM 303 OE1 GLN A 105 -0.777 -11.297 -5.715 1.00 0.00 O ATOM 304 NE2 GLN A 105 1.438 -11.365 -5.347 1.00 0.00 N ATOM 0 H GLN A 105 -1.888 -8.807 -2.913 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.453 -6.737 -4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.843 -9.330 -5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.136 -8.241 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.033 -8.755 -5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.614 -9.103 -4.068 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.284 -10.854 -5.094 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.487 -12.364 -5.548 1.00 0.00 H new ATOM 313 N SER A 106 -2.960 -5.661 -4.015 1.00 0.00 N ATOM 314 CA SER A 106 -4.126 -4.847 -4.336 1.00 0.00 C ATOM 315 C SER A 106 -3.784 -3.800 -5.392 1.00 0.00 C ATOM 316 O SER A 106 -4.639 -3.393 -6.178 1.00 0.00 O ATOM 317 CB SER A 106 -4.660 -4.162 -3.077 1.00 0.00 C ATOM 318 OG SER A 106 -5.576 -3.131 -3.405 1.00 0.00 O ATOM 0 H SER A 106 -2.508 -5.421 -3.133 1.00 0.00 H new ATOM 0 HA SER A 106 -4.897 -5.505 -4.737 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.149 -4.898 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.830 -3.747 -2.506 1.00 0.00 H new ATOM 0 HG SER A 106 -5.903 -2.710 -2.583 1.00 0.00 H new ATOM 324 N GLN A 107 -2.527 -3.369 -5.402 1.00 0.00 N ATOM 325 CA GLN A 107 -2.070 -2.369 -6.360 1.00 0.00 C ATOM 326 C GLN A 107 -2.384 -2.801 -7.789 1.00 0.00 C ATOM 327 O GLN A 107 -2.618 -1.965 -8.662 1.00 0.00 O ATOM 328 CB GLN A 107 -0.567 -2.132 -6.205 1.00 0.00 C ATOM 329 CG GLN A 107 0.249 -3.413 -6.155 1.00 0.00 C ATOM 330 CD GLN A 107 1.711 -3.187 -6.482 1.00 0.00 C ATOM 331 OE1 GLN A 107 2.269 -3.835 -7.368 1.00 0.00 O ATOM 332 NE2 GLN A 107 2.343 -2.263 -5.767 1.00 0.00 N ATOM 0 H GLN A 107 -1.807 -3.696 -4.758 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.600 -1.439 -6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.217 -1.520 -7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.390 -1.562 -5.293 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.167 -3.853 -5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.169 -4.133 -6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.843 -1.749 -5.042 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.329 -2.068 -5.943 1.00 0.00 H new ATOM 341 N GLN A 108 -2.387 -4.110 -8.019 1.00 0.00 N ATOM 342 CA GLN A 108 -2.671 -4.651 -9.343 1.00 0.00 C ATOM 343 C GLN A 108 -4.146 -4.487 -9.693 1.00 0.00 C ATOM 344 O GLN A 108 -4.489 -4.070 -10.800 1.00 0.00 O ATOM 345 CB GLN A 108 -2.281 -6.129 -9.407 1.00 0.00 C ATOM 346 CG GLN A 108 -0.813 -6.384 -9.107 1.00 0.00 C ATOM 347 CD GLN A 108 0.099 -5.934 -10.232 1.00 0.00 C ATOM 348 OE1 GLN A 108 0.046 -4.783 -10.666 1.00 0.00 O ATOM 349 NE2 GLN A 108 0.942 -6.842 -10.711 1.00 0.00 N ATOM 0 H GLN A 108 -2.196 -4.815 -7.307 1.00 0.00 H new ATOM 0 HA GLN A 108 -2.080 -4.094 -10.070 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -2.891 -6.688 -8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -2.513 -6.515 -10.400 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.537 -5.863 -8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.663 -7.448 -8.926 1.00 0.00 H new ATOM 0 HE21 GLN A 108 0.952 -7.785 -10.321 1.00 0.00 H new ATOM 0 HE22 GLN A 108 1.579 -6.597 -11.469 1.00 0.00 H new ATOM 358 N ASP A 109 -5.015 -4.817 -8.744 1.00 0.00 N ATOM 359 CA ASP A 109 -6.453 -4.706 -8.952 1.00 0.00 C ATOM 360 C ASP A 109 -6.831 -3.294 -9.391 1.00 0.00 C ATOM 361 O ASP A 109 -7.795 -3.101 -10.132 1.00 0.00 O ATOM 362 CB ASP A 109 -7.206 -5.073 -7.672 1.00 0.00 C ATOM 363 CG ASP A 109 -7.287 -6.571 -7.458 1.00 0.00 C ATOM 364 OD1 ASP A 109 -7.514 -7.300 -8.447 1.00 0.00 O ATOM 365 OD2 ASP A 109 -7.125 -7.016 -6.302 1.00 0.00 O ATOM 0 H ASP A 109 -4.748 -5.164 -7.823 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.735 -5.402 -9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.710 -4.613 -6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.214 -4.660 -7.716 1.00 0.00 H new ATOM 370 N ASP A 110 -6.066 -2.311 -8.929 1.00 0.00 N ATOM 371 CA ASP A 110 -6.320 -0.917 -9.273 1.00 0.00 C ATOM 372 C ASP A 110 -6.335 -0.726 -10.787 1.00 0.00 C ATOM 373 O ASP A 110 -7.230 -0.080 -11.332 1.00 0.00 O ATOM 374 CB ASP A 110 -5.260 -0.013 -8.643 1.00 0.00 C ATOM 375 CG ASP A 110 -5.790 1.375 -8.340 1.00 0.00 C ATOM 376 OD1 ASP A 110 -6.697 1.836 -9.065 1.00 0.00 O ATOM 377 OD2 ASP A 110 -5.299 2.000 -7.376 1.00 0.00 O ATOM 0 H ASP A 110 -5.264 -2.454 -8.315 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.299 -0.643 -8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.898 -0.470 -7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -4.407 0.066 -9.317 1.00 0.00 H new ATOM 382 N ILE A 111 -5.338 -1.291 -11.459 1.00 0.00 N ATOM 383 CA ILE A 111 -5.237 -1.183 -12.910 1.00 0.00 C ATOM 384 C ILE A 111 -5.540 -2.516 -13.583 1.00 0.00 C ATOM 385 O ILE A 111 -4.840 -2.930 -14.507 1.00 0.00 O ATOM 386 CB ILE A 111 -3.837 -0.708 -13.342 1.00 0.00 C ATOM 387 CG1 ILE A 111 -2.757 -1.567 -12.683 1.00 0.00 C ATOM 388 CG2 ILE A 111 -3.643 0.759 -12.989 1.00 0.00 C ATOM 389 CD1 ILE A 111 -1.486 -1.671 -13.498 1.00 0.00 C ATOM 0 H ILE A 111 -4.589 -1.828 -11.023 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.975 -0.445 -13.224 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.751 -0.816 -14.423 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.519 -1.149 -11.705 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.153 -2.568 -12.514 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.649 1.080 -13.301 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.395 1.359 -13.501 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.746 0.891 -11.912 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.765 -2.295 -12.970 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.711 -2.117 -14.467 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.066 -0.676 -13.645 1.00 0.00 H new ATOM 401 N ASP A 112 -6.589 -3.184 -13.115 1.00 0.00 N ATOM 402 CA ASP A 112 -6.987 -4.471 -13.675 1.00 0.00 C ATOM 403 C ASP A 112 -7.604 -4.294 -15.058 1.00 0.00 C ATOM 404 O ASP A 112 -7.234 -4.986 -16.007 1.00 0.00 O ATOM 405 CB ASP A 112 -7.981 -5.169 -12.745 1.00 0.00 C ATOM 406 CG ASP A 112 -8.343 -6.561 -13.225 1.00 0.00 C ATOM 407 OD1 ASP A 112 -7.745 -7.019 -14.220 1.00 0.00 O ATOM 408 OD2 ASP A 112 -9.224 -7.192 -12.604 1.00 0.00 O ATOM 0 H ASP A 112 -7.179 -2.856 -12.350 1.00 0.00 H new ATOM 0 HA ASP A 112 -6.095 -5.090 -13.772 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.555 -5.232 -11.744 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -8.887 -4.567 -12.668 1.00 0.00 H new ATOM 413 N PHE A 113 -8.547 -3.365 -15.167 1.00 0.00 N ATOM 414 CA PHE A 113 -9.216 -3.098 -16.434 1.00 0.00 C ATOM 415 C PHE A 113 -8.203 -2.779 -17.529 1.00 0.00 C ATOM 416 O PHE A 113 -8.437 -3.048 -18.707 1.00 0.00 O ATOM 417 CB PHE A 113 -10.201 -1.938 -16.281 1.00 0.00 C ATOM 418 CG PHE A 113 -11.251 -1.896 -17.355 1.00 0.00 C ATOM 419 CD1 PHE A 113 -12.352 -2.735 -17.298 1.00 0.00 C ATOM 420 CD2 PHE A 113 -11.137 -1.019 -18.421 1.00 0.00 C ATOM 421 CE1 PHE A 113 -13.320 -2.700 -18.284 1.00 0.00 C ATOM 422 CE2 PHE A 113 -12.102 -0.978 -19.409 1.00 0.00 C ATOM 423 CZ PHE A 113 -13.194 -1.820 -19.342 1.00 0.00 C ATOM 0 H PHE A 113 -8.866 -2.784 -14.392 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.764 -3.995 -16.722 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -10.689 -2.013 -15.309 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -9.648 -0.999 -16.288 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -12.455 -3.425 -16.473 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -10.284 -0.360 -18.481 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -14.173 -3.359 -18.228 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -12.002 -0.288 -20.233 1.00 0.00 H new ATOM 0 HZ PHE A 113 -13.948 -1.791 -20.115 1.00 0.00 H new ATOM 433 N LYS A 114 -7.074 -2.202 -17.131 1.00 0.00 N ATOM 434 CA LYS A 114 -6.021 -1.846 -18.075 1.00 0.00 C ATOM 435 C LYS A 114 -5.451 -3.089 -18.749 1.00 0.00 C ATOM 436 O LYS A 114 -5.267 -3.117 -19.966 1.00 0.00 O ATOM 437 CB LYS A 114 -4.904 -1.081 -17.361 1.00 0.00 C ATOM 438 CG LYS A 114 -4.138 -0.136 -18.269 1.00 0.00 C ATOM 439 CD LYS A 114 -3.686 1.109 -17.524 1.00 0.00 C ATOM 440 CE LYS A 114 -4.007 2.373 -18.306 1.00 0.00 C ATOM 441 NZ LYS A 114 -4.340 3.513 -17.405 1.00 0.00 N ATOM 0 H LYS A 114 -6.865 -1.971 -16.160 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.457 -1.207 -18.843 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.334 -0.511 -16.537 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.207 -1.796 -16.924 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.270 -0.650 -18.681 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.768 0.151 -19.111 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.174 1.149 -16.550 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.613 1.056 -17.341 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.154 2.640 -18.930 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.845 2.183 -18.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.553 4.356 -17.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.169 3.268 -16.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.531 3.712 -16.783 1.00 0.00 H new ATOM 455 N ARG A 115 -5.175 -4.115 -17.951 1.00 0.00 N ATOM 456 CA ARG A 115 -4.626 -5.361 -18.472 1.00 0.00 C ATOM 457 C ARG A 115 -5.640 -6.071 -19.364 1.00 0.00 C ATOM 458 O ARG A 115 -5.275 -6.694 -20.361 1.00 0.00 O ATOM 459 CB ARG A 115 -4.211 -6.280 -17.321 1.00 0.00 C ATOM 460 CG ARG A 115 -2.719 -6.568 -17.279 1.00 0.00 C ATOM 461 CD ARG A 115 -2.387 -7.885 -17.961 1.00 0.00 C ATOM 462 NE ARG A 115 -1.814 -7.683 -19.289 1.00 0.00 N ATOM 463 CZ ARG A 115 -0.603 -7.180 -19.499 1.00 0.00 C ATOM 464 NH1 ARG A 115 0.159 -6.828 -18.472 1.00 0.00 N ATOM 465 NH2 ARG A 115 -0.152 -7.027 -20.737 1.00 0.00 N ATOM 0 H ARG A 115 -5.322 -4.108 -16.942 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.748 -5.120 -19.071 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.511 -5.825 -16.377 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -4.752 -7.222 -17.406 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -2.177 -5.758 -17.767 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -2.382 -6.598 -16.243 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.685 -8.446 -17.344 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -3.291 -8.489 -18.044 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.375 -7.943 -20.100 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -0.185 -6.943 -17.519 1.00 0.00 H new ATOM 0 HH12 ARG A 115 1.089 -6.442 -18.636 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -0.736 -7.296 -21.529 1.00 0.00 H new ATOM 0 HH22 ARG A 115 0.778 -6.641 -20.897 1.00 0.00 H new ATOM 479 N ALA A 116 -6.914 -5.973 -18.998 1.00 0.00 N ATOM 480 CA ALA A 116 -7.980 -6.604 -19.766 1.00 0.00 C ATOM 481 C ALA A 116 -8.168 -5.915 -21.113 1.00 0.00 C ATOM 482 O ALA A 116 -8.587 -6.541 -22.087 1.00 0.00 O ATOM 483 CB ALA A 116 -9.280 -6.587 -18.977 1.00 0.00 C ATOM 0 H ALA A 116 -7.233 -5.463 -18.174 1.00 0.00 H new ATOM 0 HA ALA A 116 -7.695 -7.639 -19.953 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.067 -7.061 -19.563 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.145 -7.131 -18.042 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.560 -5.556 -18.760 1.00 0.00 H new ATOM 489 N GLU A 117 -7.854 -4.624 -21.162 1.00 0.00 N ATOM 490 CA GLU A 117 -7.991 -3.851 -22.391 1.00 0.00 C ATOM 491 C GLU A 117 -6.965 -4.294 -23.429 1.00 0.00 C ATOM 492 O GLU A 117 -7.265 -4.374 -24.621 1.00 0.00 O ATOM 493 CB GLU A 117 -7.828 -2.358 -22.101 1.00 0.00 C ATOM 494 CG GLU A 117 -8.865 -1.487 -22.790 1.00 0.00 C ATOM 495 CD GLU A 117 -8.242 -0.354 -23.582 1.00 0.00 C ATOM 496 OE1 GLU A 117 -7.222 0.201 -23.123 1.00 0.00 O ATOM 497 OE2 GLU A 117 -8.775 -0.023 -24.662 1.00 0.00 O ATOM 0 H GLU A 117 -7.503 -4.092 -20.366 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.989 -4.029 -22.793 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.888 -2.197 -21.025 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.833 -2.042 -22.416 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.467 -2.104 -23.457 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.541 -1.073 -22.042 1.00 0.00 H new ATOM 504 N LEU A 118 -5.751 -4.581 -22.968 1.00 0.00 N ATOM 505 CA LEU A 118 -4.679 -5.015 -23.856 1.00 0.00 C ATOM 506 C LEU A 118 -4.923 -6.438 -24.349 1.00 0.00 C ATOM 507 O LEU A 118 -4.537 -6.794 -25.461 1.00 0.00 O ATOM 508 CB LEU A 118 -3.332 -4.936 -23.137 1.00 0.00 C ATOM 509 CG LEU A 118 -2.369 -3.855 -23.630 1.00 0.00 C ATOM 510 CD1 LEU A 118 -2.486 -2.605 -22.771 1.00 0.00 C ATOM 511 CD2 LEU A 118 -0.940 -4.373 -23.629 1.00 0.00 C ATOM 0 H LEU A 118 -5.486 -4.521 -21.985 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.663 -4.349 -24.719 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.519 -4.771 -22.076 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.838 -5.903 -23.227 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.638 -3.595 -24.654 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.794 -1.846 -23.136 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.505 -2.222 -22.823 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -2.243 -2.850 -21.737 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -0.269 -3.590 -23.983 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -0.658 -4.662 -22.616 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -0.866 -5.239 -24.287 1.00 0.00 H new ATOM 523 N ALA A 119 -5.568 -7.246 -23.514 1.00 0.00 N ATOM 524 CA ALA A 119 -5.868 -8.628 -23.866 1.00 0.00 C ATOM 525 C ALA A 119 -7.034 -8.704 -24.846 1.00 0.00 C ATOM 526 O ALA A 119 -7.062 -9.564 -25.727 1.00 0.00 O ATOM 527 CB ALA A 119 -6.174 -9.437 -22.614 1.00 0.00 C ATOM 0 H ALA A 119 -5.893 -6.967 -22.588 1.00 0.00 H new ATOM 0 HA ALA A 119 -4.990 -9.052 -24.353 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.396 -10.467 -22.892 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.311 -9.419 -21.949 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.035 -9.005 -22.103 1.00 0.00 H new ATOM 533 N LEU A 120 -7.996 -7.801 -24.686 1.00 0.00 N ATOM 534 CA LEU A 120 -9.165 -7.767 -25.556 1.00 0.00 C ATOM 535 C LEU A 120 -8.752 -7.645 -27.020 1.00 0.00 C ATOM 536 O LEU A 120 -9.380 -8.228 -27.904 1.00 0.00 O ATOM 537 CB LEU A 120 -10.077 -6.600 -25.173 1.00 0.00 C ATOM 538 CG LEU A 120 -11.499 -6.969 -24.750 1.00 0.00 C ATOM 539 CD1 LEU A 120 -11.475 -7.845 -23.507 1.00 0.00 C ATOM 540 CD2 LEU A 120 -12.325 -5.715 -24.506 1.00 0.00 C ATOM 0 H LEU A 120 -7.989 -7.083 -23.962 1.00 0.00 H new ATOM 0 HA LEU A 120 -9.709 -8.703 -25.428 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.608 -6.051 -24.357 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.137 -5.919 -26.022 1.00 0.00 H new ATOM 0 HG LEU A 120 -11.964 -7.534 -25.558 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -12.496 -8.098 -23.220 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.920 -8.759 -23.717 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -10.992 -7.306 -22.692 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -13.334 -5.997 -24.206 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -11.863 -5.123 -23.716 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -12.370 -5.125 -25.422 1.00 0.00 H new ATOM 552 N LYS A 121 -7.690 -6.887 -27.268 1.00 0.00 N ATOM 553 CA LYS A 121 -7.188 -6.691 -28.623 1.00 0.00 C ATOM 554 C LYS A 121 -5.665 -6.754 -28.654 1.00 0.00 C ATOM 555 O LYS A 121 -4.989 -6.010 -27.943 1.00 0.00 O ATOM 556 CB LYS A 121 -7.664 -5.345 -29.175 1.00 0.00 C ATOM 557 CG LYS A 121 -8.873 -5.455 -30.088 1.00 0.00 C ATOM 558 CD LYS A 121 -9.737 -4.207 -30.023 1.00 0.00 C ATOM 559 CE LYS A 121 -10.656 -4.230 -28.811 1.00 0.00 C ATOM 560 NZ LYS A 121 -11.896 -3.436 -29.041 1.00 0.00 N ATOM 0 H LYS A 121 -7.159 -6.398 -26.547 1.00 0.00 H new ATOM 0 HA LYS A 121 -7.580 -7.493 -29.248 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -7.907 -4.686 -28.342 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -6.846 -4.877 -29.723 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -8.542 -5.616 -31.114 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -9.466 -6.324 -29.804 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -9.100 -3.324 -29.982 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -10.333 -4.128 -30.932 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -10.923 -5.261 -28.577 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -10.126 -3.833 -27.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -12.496 -3.476 -28.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -11.643 -2.447 -29.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -12.415 -3.830 -29.851 1.00 0.00 H new ATOM 574 N ARG A 122 -5.132 -7.646 -29.482 1.00 0.00 N ATOM 575 CA ARG A 122 -3.688 -7.807 -29.606 1.00 0.00 C ATOM 576 C ARG A 122 -3.144 -6.965 -30.756 1.00 0.00 C ATOM 577 O ARG A 122 -2.009 -7.151 -31.192 1.00 0.00 O ATOM 578 CB ARG A 122 -3.334 -9.279 -29.826 1.00 0.00 C ATOM 579 CG ARG A 122 -4.014 -9.894 -31.038 1.00 0.00 C ATOM 580 CD ARG A 122 -3.001 -10.503 -31.994 1.00 0.00 C ATOM 581 NE ARG A 122 -3.623 -10.957 -33.235 1.00 0.00 N ATOM 582 CZ ARG A 122 -2.936 -11.377 -34.291 1.00 0.00 C ATOM 583 NH1 ARG A 122 -1.611 -11.402 -34.258 1.00 0.00 N ATOM 584 NH2 ARG A 122 -3.575 -11.774 -35.384 1.00 0.00 N ATOM 0 H ARG A 122 -5.678 -8.269 -30.077 1.00 0.00 H new ATOM 0 HA ARG A 122 -3.229 -7.465 -28.679 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -2.254 -9.371 -29.940 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -3.610 -9.847 -28.938 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.716 -10.662 -30.712 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -4.594 -9.131 -31.558 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -2.231 -9.767 -32.223 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.505 -11.343 -31.509 1.00 0.00 H new ATOM 0 HE ARG A 122 -4.641 -10.951 -33.294 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -1.116 -11.098 -33.420 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -1.087 -11.725 -35.071 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -4.594 -11.757 -35.413 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -3.047 -12.096 -36.195 1.00 0.00 H new ATOM 598 N ALA A 123 -3.963 -6.038 -31.243 1.00 0.00 N ATOM 599 CA ALA A 123 -3.564 -5.166 -32.341 1.00 0.00 C ATOM 600 C ALA A 123 -3.007 -3.846 -31.820 1.00 0.00 C ATOM 601 O ALA A 123 -2.159 -3.224 -32.459 1.00 0.00 O ATOM 602 CB ALA A 123 -4.742 -4.914 -33.270 1.00 0.00 C ATOM 0 H ALA A 123 -4.907 -5.872 -30.894 1.00 0.00 H new ATOM 0 HA ALA A 123 -2.774 -5.667 -32.901 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.429 -4.261 -34.085 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -5.093 -5.862 -33.678 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -5.549 -4.438 -32.713 1.00 0.00 H new ATOM 608 N MET A 124 -3.489 -3.424 -30.656 1.00 0.00 N ATOM 609 CA MET A 124 -3.039 -2.177 -30.049 1.00 0.00 C ATOM 610 C MET A 124 -1.552 -2.241 -29.716 1.00 0.00 C ATOM 611 O MET A 124 -0.841 -1.242 -29.814 1.00 0.00 O ATOM 612 CB MET A 124 -3.844 -1.882 -28.783 1.00 0.00 C ATOM 613 CG MET A 124 -3.580 -0.501 -28.203 1.00 0.00 C ATOM 614 SD MET A 124 -4.587 -0.155 -26.748 1.00 0.00 S ATOM 615 CE MET A 124 -3.445 0.819 -25.770 1.00 0.00 C ATOM 0 H MET A 124 -4.191 -3.927 -30.114 1.00 0.00 H new ATOM 0 HA MET A 124 -3.199 -1.373 -30.768 1.00 0.00 H new ATOM 0 HB2 MET A 124 -4.906 -1.976 -29.008 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.610 -2.634 -28.030 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.526 -0.418 -27.939 1.00 0.00 H new ATOM 0 HG3 MET A 124 -3.778 0.253 -28.965 1.00 0.00 H new ATOM 0 HE1 MET A 124 -3.923 1.110 -24.835 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.555 0.228 -25.554 1.00 0.00 H new ATOM 0 HE3 MET A 124 -3.161 1.713 -26.326 1.00 0.00 H new ATOM 625 N ASN A 125 -1.088 -3.423 -29.322 1.00 0.00 N ATOM 626 CA ASN A 125 0.315 -3.616 -28.974 1.00 0.00 C ATOM 627 C ASN A 125 1.218 -3.313 -30.166 1.00 0.00 C ATOM 628 O ASN A 125 2.339 -2.830 -30.002 1.00 0.00 O ATOM 629 CB ASN A 125 0.550 -5.050 -28.494 1.00 0.00 C ATOM 630 CG ASN A 125 2.001 -5.309 -28.136 1.00 0.00 C ATOM 631 OD1 ASN A 125 2.706 -4.414 -27.669 1.00 0.00 O ATOM 632 ND2 ASN A 125 2.453 -6.538 -28.352 1.00 0.00 N ATOM 0 H ASN A 125 -1.663 -4.261 -29.236 1.00 0.00 H new ATOM 0 HA ASN A 125 0.562 -2.925 -28.168 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -0.077 -5.246 -27.624 1.00 0.00 H new ATOM 0 HB3 ASN A 125 0.241 -5.746 -29.273 1.00 0.00 H new ATOM 0 HD21 ASN A 125 3.420 -6.772 -28.129 1.00 0.00 H new ATOM 0 HD22 ASN A 125 1.833 -7.248 -28.741 1.00 0.00 H new ATOM 639 N ARG A 126 0.721 -3.598 -31.365 1.00 0.00 N ATOM 640 CA ARG A 126 1.483 -3.356 -32.585 1.00 0.00 C ATOM 641 C ARG A 126 1.336 -1.906 -33.039 1.00 0.00 C ATOM 642 O ARG A 126 2.214 -1.363 -33.711 1.00 0.00 O ATOM 643 CB ARG A 126 1.020 -4.300 -33.696 1.00 0.00 C ATOM 644 CG ARG A 126 2.062 -5.334 -34.090 1.00 0.00 C ATOM 645 CD ARG A 126 2.064 -6.515 -33.132 1.00 0.00 C ATOM 646 NE ARG A 126 3.347 -6.666 -32.452 1.00 0.00 N ATOM 647 CZ ARG A 126 3.554 -7.517 -31.453 1.00 0.00 C ATOM 648 NH1 ARG A 126 2.567 -8.290 -31.021 1.00 0.00 N ATOM 649 NH2 ARG A 126 4.750 -7.597 -30.884 1.00 0.00 N ATOM 0 H ARG A 126 -0.205 -3.997 -31.518 1.00 0.00 H new ATOM 0 HA ARG A 126 2.535 -3.546 -32.371 1.00 0.00 H new ATOM 0 HB2 ARG A 126 0.115 -4.814 -33.371 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.754 -3.711 -34.574 1.00 0.00 H new ATOM 0 HG2 ARG A 126 1.863 -5.686 -35.102 1.00 0.00 H new ATOM 0 HG3 ARG A 126 3.049 -4.872 -34.102 1.00 0.00 H new ATOM 0 HD2 ARG A 126 1.275 -6.383 -32.392 1.00 0.00 H new ATOM 0 HD3 ARG A 126 1.835 -7.428 -33.682 1.00 0.00 H new ATOM 0 HE ARG A 126 4.127 -6.086 -32.761 1.00 0.00 H new ATOM 0 HH11 ARG A 126 1.646 -8.232 -31.456 1.00 0.00 H new ATOM 0 HH12 ARG A 126 2.729 -8.943 -30.254 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.512 -7.005 -31.213 1.00 0.00 H new ATOM 0 HH22 ARG A 126 4.907 -8.251 -30.117 1.00 0.00 H new ATOM 663 N LEU A 127 0.221 -1.287 -32.670 1.00 0.00 N ATOM 664 CA LEU A 127 -0.042 0.100 -33.040 1.00 0.00 C ATOM 665 C LEU A 127 0.339 1.047 -31.907 1.00 0.00 C ATOM 666 O LEU A 127 0.166 2.260 -32.014 1.00 0.00 O ATOM 667 CB LEU A 127 -1.519 0.282 -33.397 1.00 0.00 C ATOM 668 CG LEU A 127 -1.807 0.894 -34.768 1.00 0.00 C ATOM 669 CD1 LEU A 127 -1.148 2.259 -34.892 1.00 0.00 C ATOM 670 CD2 LEU A 127 -1.330 -0.033 -35.877 1.00 0.00 C ATOM 0 H LEU A 127 -0.516 -1.723 -32.115 1.00 0.00 H new ATOM 0 HA LEU A 127 0.568 0.340 -33.911 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.007 -0.691 -33.346 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.981 0.911 -32.636 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.885 1.023 -34.868 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.364 2.679 -35.874 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.537 2.923 -34.120 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.070 2.155 -34.771 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.543 0.419 -36.846 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.256 -0.194 -35.780 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.848 -0.989 -35.800 1.00 0.00 H new TER 682 LEU A 127