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= 0.0667 X(o=0.16,f=0) USER MOD Set 1.2: A 108 GLN : amide:sc= 0.0983 K(o=0.16,f=-0.39) 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 180:sc= -0.126 USER MOD Single : A 107 GLN : amide:sc= -0.0355 X(o=-0.035,f=-0.26) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 -17.743 -29.069 4.007 1.00 0.00 N ATOM 2 CA ILE A 88 -17.128 -28.264 2.959 1.00 0.00 C ATOM 3 C ILE A 88 -16.288 -27.138 3.551 1.00 0.00 C ATOM 4 O ILE A 88 -16.321 -26.006 3.070 1.00 0.00 O ATOM 5 CB ILE A 88 -18.189 -27.658 2.020 1.00 0.00 C ATOM 6 CG1 ILE A 88 -19.190 -26.822 2.818 1.00 0.00 C ATOM 7 CG2 ILE A 88 -18.904 -28.758 1.250 1.00 0.00 C ATOM 8 CD1 ILE A 88 -19.796 -25.685 2.025 1.00 0.00 C ATOM 0 HA ILE A 88 -16.484 -28.931 2.386 1.00 0.00 H new ATOM 0 HB ILE A 88 -17.689 -27.006 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -19.989 -27.471 3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -18.691 -26.415 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -19.650 -28.315 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -18.180 -29.315 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -19.394 -29.433 1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -20.496 -25.135 2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -19.006 -25.014 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -20.323 -26.086 1.159 1.00 0.00 H new ATOM 20 N ASP A 89 -15.533 -27.459 4.596 1.00 0.00 N ATOM 21 CA ASP A 89 -14.680 -26.475 5.254 1.00 0.00 C ATOM 22 C ASP A 89 -13.588 -25.985 4.308 1.00 0.00 C ATOM 23 O ASP A 89 -13.238 -24.804 4.305 1.00 0.00 O ATOM 24 CB ASP A 89 -14.051 -27.074 6.512 1.00 0.00 C ATOM 25 CG ASP A 89 -14.883 -26.818 7.754 1.00 0.00 C ATOM 26 OD1 ASP A 89 -16.116 -27.011 7.692 1.00 0.00 O ATOM 27 OD2 ASP A 89 -14.302 -26.425 8.787 1.00 0.00 O ATOM 0 H ASP A 89 -15.494 -28.392 5.006 1.00 0.00 H new ATOM 0 HA ASP A 89 -15.300 -25.624 5.537 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -13.927 -28.148 6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -13.055 -26.653 6.652 1.00 0.00 H new ATOM 32 N VAL A 90 -13.051 -26.900 3.507 1.00 0.00 N ATOM 33 CA VAL A 90 -11.998 -26.561 2.557 1.00 0.00 C ATOM 34 C VAL A 90 -12.479 -25.521 1.551 1.00 0.00 C ATOM 35 O VAL A 90 -11.709 -24.670 1.106 1.00 0.00 O ATOM 36 CB VAL A 90 -11.507 -27.806 1.796 1.00 0.00 C ATOM 37 CG1 VAL A 90 -10.881 -28.806 2.757 1.00 0.00 C ATOM 38 CG2 VAL A 90 -12.651 -28.442 1.022 1.00 0.00 C ATOM 0 H VAL A 90 -13.328 -27.882 3.497 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.171 -26.148 3.135 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.743 -27.497 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.540 -29.680 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.033 -28.343 3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -11.621 -29.112 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.286 -29.321 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -13.439 -28.738 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.049 -27.724 0.306 1.00 0.00 H new ATOM 48 N LEU A 91 -13.757 -25.596 1.198 1.00 0.00 N ATOM 49 CA LEU A 91 -14.343 -24.660 0.244 1.00 0.00 C ATOM 50 C LEU A 91 -14.237 -23.226 0.753 1.00 0.00 C ATOM 51 O LEU A 91 -13.705 -22.352 0.069 1.00 0.00 O ATOM 52 CB LEU A 91 -15.809 -25.015 -0.014 1.00 0.00 C ATOM 53 CG LEU A 91 -16.261 -24.976 -1.475 1.00 0.00 C ATOM 54 CD1 LEU A 91 -17.344 -26.014 -1.726 1.00 0.00 C ATOM 55 CD2 LEU A 91 -16.757 -23.586 -1.842 1.00 0.00 C ATOM 0 H LEU A 91 -14.407 -26.295 1.557 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.787 -24.736 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -15.994 -26.016 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.434 -24.329 0.558 1.00 0.00 H new ATOM 0 HG LEU A 91 -15.405 -25.213 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -17.653 -25.972 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.955 -27.007 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -18.201 -25.808 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -17.074 -23.577 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -17.600 -23.320 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.953 -22.864 -1.701 1.00 0.00 H new ATOM 67 N ARG A 92 -14.746 -22.993 1.958 1.00 0.00 N ATOM 68 CA ARG A 92 -14.708 -21.665 2.559 1.00 0.00 C ATOM 69 C ARG A 92 -13.270 -21.224 2.813 1.00 0.00 C ATOM 70 O ARG A 92 -12.959 -20.034 2.775 1.00 0.00 O ATOM 71 CB ARG A 92 -15.496 -21.653 3.870 1.00 0.00 C ATOM 72 CG ARG A 92 -16.093 -20.296 4.210 1.00 0.00 C ATOM 73 CD ARG A 92 -17.457 -20.111 3.563 1.00 0.00 C ATOM 74 NE ARG A 92 -17.826 -18.701 3.461 1.00 0.00 N ATOM 75 CZ ARG A 92 -18.913 -18.270 2.831 1.00 0.00 C ATOM 76 NH1 ARG A 92 -19.733 -19.135 2.250 1.00 0.00 N ATOM 77 NH2 ARG A 92 -19.182 -16.972 2.781 1.00 0.00 N ATOM 0 H ARG A 92 -15.189 -23.706 2.537 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.166 -20.964 1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -16.298 -22.388 3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.839 -21.965 4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -16.186 -20.198 5.292 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -15.420 -19.507 3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -17.450 -20.557 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -18.210 -20.642 4.146 1.00 0.00 H new ATOM 0 HE ARG A 92 -17.216 -18.010 3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -19.530 -20.134 2.286 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -20.567 -18.802 1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -18.554 -16.303 3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -20.017 -16.643 2.297 1.00 0.00 H new ATOM 91 N ALA A 93 -12.397 -22.192 3.074 1.00 0.00 N ATOM 92 CA ALA A 93 -10.992 -21.904 3.333 1.00 0.00 C ATOM 93 C ALA A 93 -10.280 -21.456 2.061 1.00 0.00 C ATOM 94 O ALA A 93 -9.422 -20.573 2.096 1.00 0.00 O ATOM 95 CB ALA A 93 -10.303 -23.126 3.923 1.00 0.00 C ATOM 0 H ALA A 93 -12.638 -23.182 3.112 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.941 -21.088 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.254 -22.897 4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.788 -23.401 4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.372 -23.957 3.221 1.00 0.00 H new ATOM 101 N LYS A 94 -10.640 -22.070 0.939 1.00 0.00 N ATOM 102 CA LYS A 94 -10.036 -21.734 -0.345 1.00 0.00 C ATOM 103 C LYS A 94 -10.301 -20.276 -0.706 1.00 0.00 C ATOM 104 O LYS A 94 -9.432 -19.593 -1.247 1.00 0.00 O ATOM 105 CB LYS A 94 -10.582 -22.650 -1.443 1.00 0.00 C ATOM 106 CG LYS A 94 -9.705 -23.858 -1.718 1.00 0.00 C ATOM 107 CD LYS A 94 -10.179 -24.624 -2.942 1.00 0.00 C ATOM 108 CE LYS A 94 -9.188 -25.707 -3.341 1.00 0.00 C ATOM 109 NZ LYS A 94 -8.976 -25.749 -4.814 1.00 0.00 N ATOM 0 H LYS A 94 -11.347 -22.803 0.893 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.959 -21.879 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.577 -22.991 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.693 -22.075 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.675 -23.535 -1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.710 -24.518 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.150 -25.075 -2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.319 -23.933 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.235 -25.529 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.551 -26.676 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.294 -26.500 -5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.880 -25.944 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.605 -24.833 -5.138 1.00 0.00 H new ATOM 123 N ALA A 95 -11.506 -19.805 -0.402 1.00 0.00 N ATOM 124 CA ALA A 95 -11.883 -18.428 -0.691 1.00 0.00 C ATOM 125 C ALA A 95 -11.054 -17.447 0.131 1.00 0.00 C ATOM 126 O ALA A 95 -10.677 -16.380 -0.353 1.00 0.00 O ATOM 127 CB ALA A 95 -13.367 -18.219 -0.425 1.00 0.00 C ATOM 0 H ALA A 95 -12.238 -20.358 0.045 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.684 -18.238 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.634 -17.185 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.948 -18.887 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.583 -18.434 0.621 1.00 0.00 H new ATOM 133 N ALA A 96 -10.773 -17.815 1.376 1.00 0.00 N ATOM 134 CA ALA A 96 -9.987 -16.968 2.265 1.00 0.00 C ATOM 135 C ALA A 96 -8.536 -16.885 1.802 1.00 0.00 C ATOM 136 O ALA A 96 -7.854 -15.889 2.041 1.00 0.00 O ATOM 137 CB ALA A 96 -10.059 -17.491 3.692 1.00 0.00 C ATOM 0 H ALA A 96 -11.078 -18.695 1.793 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.408 -15.963 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.468 -16.849 4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.096 -17.493 4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.665 -18.507 3.728 1.00 0.00 H new ATOM 143 N LYS A 97 -8.070 -17.938 1.139 1.00 0.00 N ATOM 144 CA LYS A 97 -6.700 -17.985 0.642 1.00 0.00 C ATOM 145 C LYS A 97 -6.480 -16.940 -0.446 1.00 0.00 C ATOM 146 O LYS A 97 -5.435 -16.292 -0.494 1.00 0.00 O ATOM 147 CB LYS A 97 -6.381 -19.379 0.097 1.00 0.00 C ATOM 148 CG LYS A 97 -4.948 -19.531 -0.381 1.00 0.00 C ATOM 149 CD LYS A 97 -4.020 -19.925 0.756 1.00 0.00 C ATOM 150 CE LYS A 97 -2.843 -20.748 0.256 1.00 0.00 C ATOM 151 NZ LYS A 97 -1.795 -19.894 -0.368 1.00 0.00 N ATOM 0 H LYS A 97 -8.622 -18.771 0.933 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.031 -17.765 1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.576 -20.117 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.056 -19.600 -0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.904 -20.286 -1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.609 -18.593 -0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.652 -19.028 1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.576 -20.497 1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.410 -21.305 1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.195 -21.481 -0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.010 -20.492 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.201 -19.381 -1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.441 -19.211 0.332 1.00 0.00 H new ATOM 165 N GLU A 98 -7.472 -16.780 -1.317 1.00 0.00 N ATOM 166 CA GLU A 98 -7.386 -15.812 -2.404 1.00 0.00 C ATOM 167 C GLU A 98 -7.533 -14.387 -1.876 1.00 0.00 C ATOM 168 O GLU A 98 -7.034 -13.436 -2.478 1.00 0.00 O ATOM 169 CB GLU A 98 -8.464 -16.092 -3.453 1.00 0.00 C ATOM 170 CG GLU A 98 -8.126 -15.550 -4.832 1.00 0.00 C ATOM 171 CD GLU A 98 -8.161 -16.622 -5.904 1.00 0.00 C ATOM 172 OE1 GLU A 98 -7.607 -17.716 -5.668 1.00 0.00 O ATOM 173 OE2 GLU A 98 -8.743 -16.367 -6.980 1.00 0.00 O ATOM 0 H GLU A 98 -8.344 -17.308 -1.291 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.404 -15.911 -2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.620 -17.168 -3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.405 -15.654 -3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.831 -14.760 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.135 -15.098 -4.808 1.00 0.00 H new ATOM 180 N ARG A 99 -8.221 -14.248 -0.748 1.00 0.00 N ATOM 181 CA ARG A 99 -8.436 -12.941 -0.140 1.00 0.00 C ATOM 182 C ARG A 99 -7.122 -12.355 0.369 1.00 0.00 C ATOM 183 O ARG A 99 -6.904 -11.146 0.306 1.00 0.00 O ATOM 184 CB ARG A 99 -9.438 -13.048 1.010 1.00 0.00 C ATOM 185 CG ARG A 99 -9.910 -11.701 1.535 1.00 0.00 C ATOM 186 CD ARG A 99 -11.311 -11.790 2.118 1.00 0.00 C ATOM 187 NE ARG A 99 -11.834 -10.478 2.489 1.00 0.00 N ATOM 188 CZ ARG A 99 -13.086 -10.270 2.881 1.00 0.00 C ATOM 189 NH1 ARG A 99 -13.939 -11.282 2.952 1.00 0.00 N ATOM 190 NH2 ARG A 99 -13.487 -9.046 3.203 1.00 0.00 N ATOM 0 H ARG A 99 -8.639 -15.025 -0.236 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.839 -12.276 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.303 -13.621 0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.982 -13.607 1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.219 -11.345 2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.897 -10.970 0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.978 -12.253 1.391 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.298 -12.436 2.996 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.203 -9.678 2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.635 -12.224 2.705 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.900 -11.119 3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.834 -8.265 3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.449 -8.887 3.504 1.00 0.00 H new ATOM 204 N ALA A 100 -6.250 -13.222 0.874 1.00 0.00 N ATOM 205 CA ALA A 100 -4.958 -12.792 1.392 1.00 0.00 C ATOM 206 C ALA A 100 -4.104 -12.170 0.291 1.00 0.00 C ATOM 207 O ALA A 100 -3.458 -11.144 0.501 1.00 0.00 O ATOM 208 CB ALA A 100 -4.227 -13.965 2.028 1.00 0.00 C ATOM 0 H ALA A 100 -6.416 -14.227 0.935 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.135 -12.032 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.263 -13.629 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.824 -14.364 2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.069 -14.743 1.282 1.00 0.00 H new ATOM 214 N GLU A 101 -4.108 -12.797 -0.880 1.00 0.00 N ATOM 215 CA GLU A 101 -3.333 -12.304 -2.013 1.00 0.00 C ATOM 216 C GLU A 101 -3.651 -10.838 -2.292 1.00 0.00 C ATOM 217 O GLU A 101 -2.774 -10.064 -2.678 1.00 0.00 O ATOM 218 CB GLU A 101 -3.616 -13.145 -3.258 1.00 0.00 C ATOM 219 CG GLU A 101 -2.459 -13.185 -4.243 1.00 0.00 C ATOM 220 CD GLU A 101 -2.342 -14.520 -4.952 1.00 0.00 C ATOM 221 OE1 GLU A 101 -3.120 -14.759 -5.899 1.00 0.00 O ATOM 222 OE2 GLU A 101 -1.473 -15.326 -4.559 1.00 0.00 O ATOM 0 H GLU A 101 -4.639 -13.647 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.276 -12.387 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.856 -14.163 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.497 -12.748 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.589 -12.395 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.529 -12.976 -3.714 1.00 0.00 H new ATOM 229 N ARG A 102 -4.911 -10.464 -2.096 1.00 0.00 N ATOM 230 CA ARG A 102 -5.345 -9.092 -2.329 1.00 0.00 C ATOM 231 C ARG A 102 -4.757 -8.150 -1.282 1.00 0.00 C ATOM 232 O ARG A 102 -4.259 -7.074 -1.612 1.00 0.00 O ATOM 233 CB ARG A 102 -6.873 -9.008 -2.306 1.00 0.00 C ATOM 234 CG ARG A 102 -7.435 -7.895 -3.176 1.00 0.00 C ATOM 235 CD ARG A 102 -7.818 -6.679 -2.348 1.00 0.00 C ATOM 236 NE ARG A 102 -8.574 -5.703 -3.127 1.00 0.00 N ATOM 237 CZ ARG A 102 -8.753 -4.441 -2.751 1.00 0.00 C ATOM 238 NH1 ARG A 102 -8.232 -4.006 -1.612 1.00 0.00 N ATOM 239 NH2 ARG A 102 -9.454 -3.613 -3.514 1.00 0.00 N ATOM 0 H ARG A 102 -5.649 -11.092 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.985 -8.785 -3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.286 -9.961 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.205 -8.857 -1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.696 -7.609 -3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.310 -8.260 -3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.411 -6.997 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.916 -6.209 -1.955 1.00 0.00 H new ATOM 0 HE ARG A 102 -8.988 -6.006 -4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.693 -4.640 -1.023 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.370 -3.037 -1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -9.857 -3.945 -4.391 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.591 -2.645 -3.224 1.00 0.00 H new ATOM 253 N ARG A 103 -4.819 -8.563 -0.021 1.00 0.00 N ATOM 254 CA ARG A 103 -4.295 -7.756 1.074 1.00 0.00 C ATOM 255 C ARG A 103 -2.777 -7.628 0.977 1.00 0.00 C ATOM 256 O ARG A 103 -2.210 -6.580 1.288 1.00 0.00 O ATOM 257 CB ARG A 103 -4.680 -8.372 2.420 1.00 0.00 C ATOM 258 CG ARG A 103 -5.014 -7.342 3.488 1.00 0.00 C ATOM 259 CD ARG A 103 -5.569 -8.000 4.742 1.00 0.00 C ATOM 260 NE ARG A 103 -4.718 -7.766 5.905 1.00 0.00 N ATOM 261 CZ ARG A 103 -5.083 -8.045 7.151 1.00 0.00 C ATOM 262 NH1 ARG A 103 -6.279 -8.564 7.394 1.00 0.00 N ATOM 263 NH2 ARG A 103 -4.252 -7.804 8.157 1.00 0.00 N ATOM 0 H ARG A 103 -5.227 -9.452 0.268 1.00 0.00 H new ATOM 0 HA ARG A 103 -4.732 -6.760 1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -5.539 -9.027 2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.859 -8.996 2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -4.119 -6.774 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.742 -6.632 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.569 -7.615 4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.668 -9.073 4.575 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.792 -7.366 5.752 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -6.921 -8.750 6.623 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -6.557 -8.778 8.352 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.332 -7.404 7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -4.533 -8.019 9.114 1.00 0.00 H new ATOM 277 N LEU A 104 -2.125 -8.702 0.544 1.00 0.00 N ATOM 278 CA LEU A 104 -0.673 -8.711 0.406 1.00 0.00 C ATOM 279 C LEU A 104 -0.203 -7.558 -0.475 1.00 0.00 C ATOM 280 O LEU A 104 0.583 -6.715 -0.042 1.00 0.00 O ATOM 281 CB LEU A 104 -0.206 -10.042 -0.184 1.00 0.00 C ATOM 282 CG LEU A 104 1.124 -10.582 0.346 1.00 0.00 C ATOM 283 CD1 LEU A 104 0.894 -11.472 1.558 1.00 0.00 C ATOM 284 CD2 LEU A 104 1.863 -11.343 -0.744 1.00 0.00 C ATOM 0 H LEU A 104 -2.579 -9.577 0.283 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.237 -8.587 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.978 -10.789 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.124 -9.929 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 104 1.740 -9.737 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.851 -11.847 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.408 -10.896 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.258 -12.312 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.806 -11.720 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.251 -12.179 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.061 -10.676 -1.583 1.00 0.00 H new ATOM 296 N GLN A 105 -0.690 -7.528 -1.711 1.00 0.00 N ATOM 297 CA GLN A 105 -0.320 -6.477 -2.652 1.00 0.00 C ATOM 298 C GLN A 105 -1.255 -5.280 -2.526 1.00 0.00 C ATOM 299 O GLN A 105 -1.848 -4.837 -3.509 1.00 0.00 O ATOM 300 CB GLN A 105 -0.348 -7.013 -4.085 1.00 0.00 C ATOM 301 CG GLN A 105 0.328 -8.365 -4.242 1.00 0.00 C ATOM 302 CD GLN A 105 0.708 -8.665 -5.679 1.00 0.00 C ATOM 303 OE1 GLN A 105 0.158 -9.574 -6.302 1.00 0.00 O ATOM 304 NE2 GLN A 105 1.652 -7.900 -6.214 1.00 0.00 N ATOM 0 H GLN A 105 -1.341 -8.219 -2.084 1.00 0.00 H new ATOM 0 HA GLN A 105 0.692 -6.151 -2.414 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.384 -7.094 -4.414 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.140 -6.294 -4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.223 -8.394 -3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.340 -9.145 -3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.081 -7.158 -5.661 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.948 -8.054 -7.178 1.00 0.00 H new ATOM 313 N SER A 106 -1.382 -4.760 -1.309 1.00 0.00 N ATOM 314 CA SER A 106 -2.249 -3.615 -1.054 1.00 0.00 C ATOM 315 C SER A 106 -1.771 -2.389 -1.824 1.00 0.00 C ATOM 316 O SER A 106 -2.554 -1.724 -2.501 1.00 0.00 O ATOM 317 CB SER A 106 -2.293 -3.307 0.444 1.00 0.00 C ATOM 318 OG SER A 106 -1.014 -2.928 0.924 1.00 0.00 O ATOM 0 H SER A 106 -0.896 -5.113 -0.485 1.00 0.00 H new ATOM 0 HA SER A 106 -3.253 -3.867 -1.396 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.008 -2.506 0.633 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.644 -4.183 0.989 1.00 0.00 H new ATOM 0 HG SER A 106 -1.069 -2.735 1.883 1.00 0.00 H new ATOM 324 N GLN A 107 -0.479 -2.096 -1.714 1.00 0.00 N ATOM 325 CA GLN A 107 0.105 -0.949 -2.400 1.00 0.00 C ATOM 326 C GLN A 107 0.524 -1.318 -3.819 1.00 0.00 C ATOM 327 O GLN A 107 0.415 -0.508 -4.738 1.00 0.00 O ATOM 328 CB GLN A 107 1.310 -0.421 -1.620 1.00 0.00 C ATOM 329 CG GLN A 107 1.810 0.928 -2.112 1.00 0.00 C ATOM 330 CD GLN A 107 1.525 2.049 -1.132 1.00 0.00 C ATOM 331 OE1 GLN A 107 1.800 1.930 0.062 1.00 0.00 O ATOM 332 NE2 GLN A 107 0.970 3.146 -1.633 1.00 0.00 N ATOM 0 H GLN A 107 0.183 -2.636 -1.157 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.653 -0.167 -2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.042 -0.338 -0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 107 2.121 -1.146 -1.686 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.884 0.870 -2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.340 1.158 -3.068 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.759 3.201 -2.629 1.00 0.00 H new ATOM 0 HE22 GLN A 107 0.755 3.933 -1.022 1.00 0.00 H new ATOM 341 N GLN A 108 1.004 -2.546 -3.988 1.00 0.00 N ATOM 342 CA GLN A 108 1.441 -3.021 -5.296 1.00 0.00 C ATOM 343 C GLN A 108 0.271 -3.084 -6.271 1.00 0.00 C ATOM 344 O GLN A 108 0.387 -2.665 -7.423 1.00 0.00 O ATOM 345 CB GLN A 108 2.090 -4.400 -5.169 1.00 0.00 C ATOM 346 CG GLN A 108 3.609 -4.362 -5.183 1.00 0.00 C ATOM 347 CD GLN A 108 4.209 -5.341 -6.174 1.00 0.00 C ATOM 348 OE1 GLN A 108 4.115 -6.556 -5.998 1.00 0.00 O ATOM 349 NE2 GLN A 108 4.831 -4.816 -7.222 1.00 0.00 N ATOM 0 H GLN A 108 1.100 -3.229 -3.237 1.00 0.00 H new ATOM 0 HA GLN A 108 2.175 -2.316 -5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.755 -4.866 -4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.743 -5.032 -5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 108 3.941 -3.353 -5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.983 -4.587 -4.184 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.885 -3.803 -7.328 1.00 0.00 H new ATOM 0 HE22 GLN A 108 5.255 -5.425 -7.921 1.00 0.00 H new ATOM 358 N ASP A 109 -0.856 -3.610 -5.803 1.00 0.00 N ATOM 359 CA ASP A 109 -2.049 -3.727 -6.633 1.00 0.00 C ATOM 360 C ASP A 109 -2.993 -2.553 -6.396 1.00 0.00 C ATOM 361 O ASP A 109 -4.214 -2.706 -6.447 1.00 0.00 O ATOM 362 CB ASP A 109 -2.769 -5.045 -6.345 1.00 0.00 C ATOM 363 CG ASP A 109 -3.430 -5.625 -7.580 1.00 0.00 C ATOM 364 OD1 ASP A 109 -4.477 -5.089 -8.001 1.00 0.00 O ATOM 365 OD2 ASP A 109 -2.901 -6.615 -8.126 1.00 0.00 O ATOM 0 H ASP A 109 -0.968 -3.962 -4.852 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.738 -3.714 -7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.055 -5.766 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.523 -4.883 -5.575 1.00 0.00 H new ATOM 370 N ASP A 110 -2.421 -1.383 -6.136 1.00 0.00 N ATOM 371 CA ASP A 110 -3.212 -0.182 -5.891 1.00 0.00 C ATOM 372 C ASP A 110 -3.852 0.320 -7.181 1.00 0.00 C ATOM 373 O ASP A 110 -4.990 0.789 -7.179 1.00 0.00 O ATOM 374 CB ASP A 110 -2.338 0.914 -5.280 1.00 0.00 C ATOM 375 CG ASP A 110 -3.063 2.242 -5.177 1.00 0.00 C ATOM 376 OD1 ASP A 110 -3.138 2.958 -6.197 1.00 0.00 O ATOM 377 OD2 ASP A 110 -3.556 2.563 -4.076 1.00 0.00 O ATOM 0 H ASP A 110 -1.412 -1.240 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.006 -0.437 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.012 0.603 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.441 1.039 -5.886 1.00 0.00 H new ATOM 382 N ILE A 111 -3.114 0.218 -8.281 1.00 0.00 N ATOM 383 CA ILE A 111 -3.609 0.662 -9.578 1.00 0.00 C ATOM 384 C ILE A 111 -4.398 -0.443 -10.272 1.00 0.00 C ATOM 385 O ILE A 111 -4.084 -0.830 -11.399 1.00 0.00 O ATOM 386 CB ILE A 111 -2.458 1.111 -10.497 1.00 0.00 C ATOM 387 CG1 ILE A 111 -1.488 2.013 -9.732 1.00 0.00 C ATOM 388 CG2 ILE A 111 -3.007 1.831 -11.720 1.00 0.00 C ATOM 389 CD1 ILE A 111 -0.244 1.297 -9.255 1.00 0.00 C ATOM 0 H ILE A 111 -2.170 -0.169 -8.300 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.265 1.512 -9.391 1.00 0.00 H new ATOM 0 HB ILE A 111 -1.915 0.228 -10.833 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.195 2.844 -10.373 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.004 2.440 -8.872 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.181 2.142 -12.360 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.662 1.159 -12.274 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.571 2.708 -11.403 1.00 0.00 H new ATOM 0 HD11 ILE A 111 0.397 1.998 -8.721 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.526 0.483 -8.588 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.295 0.893 -10.112 1.00 0.00 H new ATOM 401 N ASP A 112 -5.423 -0.947 -9.594 1.00 0.00 N ATOM 402 CA ASP A 112 -6.259 -2.007 -10.147 1.00 0.00 C ATOM 403 C ASP A 112 -7.385 -1.424 -10.994 1.00 0.00 C ATOM 404 O ASP A 112 -7.850 -2.052 -11.945 1.00 0.00 O ATOM 405 CB ASP A 112 -6.841 -2.865 -9.023 1.00 0.00 C ATOM 406 CG ASP A 112 -8.035 -2.211 -8.355 1.00 0.00 C ATOM 407 OD1 ASP A 112 -9.167 -2.398 -8.849 1.00 0.00 O ATOM 408 OD2 ASP A 112 -7.838 -1.513 -7.339 1.00 0.00 O ATOM 0 H ASP A 112 -5.695 -0.639 -8.661 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.635 -2.633 -10.785 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.139 -3.833 -9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -6.069 -3.054 -8.277 1.00 0.00 H new ATOM 413 N PHE A 113 -7.821 -0.219 -10.642 1.00 0.00 N ATOM 414 CA PHE A 113 -8.894 0.449 -11.368 1.00 0.00 C ATOM 415 C PHE A 113 -8.579 0.521 -12.859 1.00 0.00 C ATOM 416 O PHE A 113 -9.347 0.041 -13.693 1.00 0.00 O ATOM 417 CB PHE A 113 -9.116 1.858 -10.813 1.00 0.00 C ATOM 418 CG PHE A 113 -10.493 2.072 -10.254 1.00 0.00 C ATOM 419 CD1 PHE A 113 -11.615 1.843 -11.033 1.00 0.00 C ATOM 420 CD2 PHE A 113 -10.665 2.504 -8.949 1.00 0.00 C ATOM 421 CE1 PHE A 113 -12.884 2.038 -10.521 1.00 0.00 C ATOM 422 CE2 PHE A 113 -11.932 2.701 -8.431 1.00 0.00 C ATOM 423 CZ PHE A 113 -13.042 2.469 -9.219 1.00 0.00 C ATOM 0 H PHE A 113 -7.447 0.315 -9.858 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.806 -0.133 -11.235 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.381 2.052 -10.032 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.937 2.584 -11.606 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -11.497 1.508 -12.053 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -9.800 2.689 -8.329 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -13.751 1.853 -11.139 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -12.053 3.036 -7.411 1.00 0.00 H new ATOM 0 HZ PHE A 113 -14.032 2.625 -8.817 1.00 0.00 H new ATOM 433 N LYS A 114 -7.443 1.127 -13.189 1.00 0.00 N ATOM 434 CA LYS A 114 -7.023 1.263 -14.578 1.00 0.00 C ATOM 435 C LYS A 114 -6.863 -0.104 -15.235 1.00 0.00 C ATOM 436 O LYS A 114 -7.034 -0.245 -16.446 1.00 0.00 O ATOM 437 CB LYS A 114 -5.705 2.038 -14.661 1.00 0.00 C ATOM 438 CG LYS A 114 -5.375 2.528 -16.060 1.00 0.00 C ATOM 439 CD LYS A 114 -6.378 3.565 -16.538 1.00 0.00 C ATOM 440 CE LYS A 114 -5.728 4.586 -17.459 1.00 0.00 C ATOM 441 NZ LYS A 114 -5.038 5.662 -16.695 1.00 0.00 N ATOM 0 H LYS A 114 -6.796 1.532 -12.512 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.796 1.815 -15.112 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.753 2.894 -13.987 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.895 1.400 -14.308 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.373 2.958 -16.069 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.366 1.684 -16.750 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.195 3.068 -17.062 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.814 4.074 -15.679 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.011 4.084 -18.108 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.487 5.028 -18.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.608 6.338 -17.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.727 6.158 -16.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.296 5.243 -16.098 1.00 0.00 H new ATOM 455 N ARG A 115 -6.537 -1.108 -14.428 1.00 0.00 N ATOM 456 CA ARG A 115 -6.355 -2.465 -14.932 1.00 0.00 C ATOM 457 C ARG A 115 -7.663 -3.018 -15.489 1.00 0.00 C ATOM 458 O ARG A 115 -7.684 -3.638 -16.552 1.00 0.00 O ATOM 459 CB ARG A 115 -5.834 -3.378 -13.821 1.00 0.00 C ATOM 460 CG ARG A 115 -4.583 -4.151 -14.204 1.00 0.00 C ATOM 461 CD ARG A 115 -4.861 -5.643 -14.310 1.00 0.00 C ATOM 462 NE ARG A 115 -3.730 -6.444 -13.850 1.00 0.00 N ATOM 463 CZ ARG A 115 -3.384 -6.564 -12.573 1.00 0.00 C ATOM 464 NH1 ARG A 115 -4.080 -5.938 -11.633 1.00 0.00 N ATOM 465 NH2 ARG A 115 -2.342 -7.311 -12.233 1.00 0.00 N ATOM 0 H ARG A 115 -6.393 -1.008 -13.423 1.00 0.00 H new ATOM 0 HA ARG A 115 -5.623 -2.432 -15.739 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -5.623 -2.776 -12.937 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.617 -4.084 -13.546 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -4.203 -3.782 -15.157 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.804 -3.977 -13.461 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.744 -5.890 -13.720 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.088 -5.897 -15.345 1.00 0.00 H new ATOM 0 HE ARG A 115 -3.175 -6.939 -14.548 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.882 -5.363 -11.890 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -3.813 -6.031 -10.653 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -1.805 -7.795 -12.953 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.078 -7.402 -11.252 1.00 0.00 H new ATOM 479 N ALA A 116 -8.753 -2.789 -14.763 1.00 0.00 N ATOM 480 CA ALA A 116 -10.065 -3.263 -15.186 1.00 0.00 C ATOM 481 C ALA A 116 -10.529 -2.542 -16.447 1.00 0.00 C ATOM 482 O ALA A 116 -11.254 -3.108 -17.264 1.00 0.00 O ATOM 483 CB ALA A 116 -11.078 -3.078 -14.066 1.00 0.00 C ATOM 0 H ALA A 116 -8.753 -2.279 -13.880 1.00 0.00 H new ATOM 0 HA ALA A 116 -9.984 -4.325 -15.416 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -12.054 -3.436 -14.395 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -10.760 -3.644 -13.191 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -11.147 -2.021 -13.809 1.00 0.00 H new ATOM 489 N GLU A 117 -10.108 -1.290 -16.596 1.00 0.00 N ATOM 490 CA GLU A 117 -10.483 -0.492 -17.757 1.00 0.00 C ATOM 491 C GLU A 117 -9.849 -1.049 -19.028 1.00 0.00 C ATOM 492 O GLU A 117 -10.375 -0.872 -20.128 1.00 0.00 O ATOM 493 CB GLU A 117 -10.062 0.966 -17.560 1.00 0.00 C ATOM 494 CG GLU A 117 -11.091 1.802 -16.821 1.00 0.00 C ATOM 495 CD GLU A 117 -12.204 2.293 -17.727 1.00 0.00 C ATOM 496 OE1 GLU A 117 -12.647 1.513 -18.597 1.00 0.00 O ATOM 497 OE2 GLU A 117 -12.632 3.455 -17.567 1.00 0.00 O ATOM 0 H GLU A 117 -9.508 -0.807 -15.928 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.567 -0.538 -17.862 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.122 0.992 -17.009 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.873 1.416 -18.535 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.520 1.211 -16.012 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.596 2.658 -16.363 1.00 0.00 H new ATOM 504 N LEU A 118 -8.714 -1.723 -18.870 1.00 0.00 N ATOM 505 CA LEU A 118 -8.006 -2.306 -20.004 1.00 0.00 C ATOM 506 C LEU A 118 -8.672 -3.603 -20.453 1.00 0.00 C ATOM 507 O LEU A 118 -8.811 -3.859 -21.649 1.00 0.00 O ATOM 508 CB LEU A 118 -6.545 -2.570 -19.637 1.00 0.00 C ATOM 509 CG LEU A 118 -5.505 -2.154 -20.678 1.00 0.00 C ATOM 510 CD1 LEU A 118 -4.303 -1.512 -20.004 1.00 0.00 C ATOM 511 CD2 LEU A 118 -5.076 -3.352 -21.512 1.00 0.00 C ATOM 0 H LEU A 118 -8.265 -1.879 -17.967 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.044 -1.595 -20.829 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.326 -2.049 -18.705 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.427 -3.636 -19.441 1.00 0.00 H new ATOM 0 HG LEU A 118 -5.958 -1.419 -21.343 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -3.573 -1.222 -20.760 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -4.624 -0.628 -19.452 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.849 -2.224 -19.315 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -4.336 -3.037 -22.247 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.641 -4.111 -20.862 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -5.943 -3.767 -22.025 1.00 0.00 H new ATOM 523 N ALA A 119 -9.085 -4.416 -19.486 1.00 0.00 N ATOM 524 CA ALA A 119 -9.741 -5.684 -19.782 1.00 0.00 C ATOM 525 C ALA A 119 -10.985 -5.472 -20.638 1.00 0.00 C ATOM 526 O ALA A 119 -11.409 -6.368 -21.368 1.00 0.00 O ATOM 527 CB ALA A 119 -10.101 -6.405 -18.492 1.00 0.00 C ATOM 0 H ALA A 119 -8.977 -4.219 -18.491 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.044 -6.302 -20.348 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.590 -7.350 -18.728 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.195 -6.599 -17.918 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -10.777 -5.784 -17.904 1.00 0.00 H new ATOM 533 N LEU A 120 -11.567 -4.282 -20.543 1.00 0.00 N ATOM 534 CA LEU A 120 -12.764 -3.952 -21.308 1.00 0.00 C ATOM 535 C LEU A 120 -12.513 -4.103 -22.805 1.00 0.00 C ATOM 536 O LEU A 120 -13.223 -4.835 -23.494 1.00 0.00 O ATOM 537 CB LEU A 120 -13.215 -2.523 -20.997 1.00 0.00 C ATOM 538 CG LEU A 120 -14.711 -2.332 -20.740 1.00 0.00 C ATOM 539 CD1 LEU A 120 -15.051 -2.668 -19.297 1.00 0.00 C ATOM 540 CD2 LEU A 120 -15.131 -0.908 -21.072 1.00 0.00 C ATOM 0 H LEU A 120 -11.229 -3.529 -19.943 1.00 0.00 H new ATOM 0 HA LEU A 120 -13.552 -4.647 -21.018 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.669 -2.173 -20.121 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.925 -1.882 -21.830 1.00 0.00 H new ATOM 0 HG LEU A 120 -15.262 -3.012 -21.389 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -16.119 -2.526 -19.132 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -14.787 -3.706 -19.093 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -14.491 -2.013 -18.629 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -16.198 -0.790 -20.883 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -14.573 -0.209 -20.449 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -14.923 -0.703 -22.122 1.00 0.00 H new ATOM 552 N LYS A 121 -11.495 -3.408 -23.302 1.00 0.00 N ATOM 553 CA LYS A 121 -11.146 -3.466 -24.716 1.00 0.00 C ATOM 554 C LYS A 121 -10.195 -4.624 -24.994 1.00 0.00 C ATOM 555 O LYS A 121 -9.146 -4.743 -24.360 1.00 0.00 O ATOM 556 CB LYS A 121 -10.506 -2.149 -25.160 1.00 0.00 C ATOM 557 CG LYS A 121 -11.469 -1.214 -25.872 1.00 0.00 C ATOM 558 CD LYS A 121 -12.456 -0.585 -24.903 1.00 0.00 C ATOM 559 CE LYS A 121 -11.997 0.794 -24.457 1.00 0.00 C ATOM 560 NZ LYS A 121 -13.093 1.798 -24.543 1.00 0.00 N ATOM 0 H LYS A 121 -10.897 -2.797 -22.745 1.00 0.00 H new ATOM 0 HA LYS A 121 -12.062 -3.627 -25.284 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -10.098 -1.640 -24.287 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -9.668 -2.367 -25.822 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -10.907 -0.430 -26.380 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -12.012 -1.766 -26.639 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -13.434 -0.508 -25.377 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -12.574 -1.230 -24.032 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -11.633 0.741 -23.431 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -11.160 1.116 -25.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -12.740 2.725 -24.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -13.424 1.867 -25.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -13.882 1.504 -23.932 1.00 0.00 H new ATOM 574 N ARG A 122 -10.567 -5.475 -25.944 1.00 0.00 N ATOM 575 CA ARG A 122 -9.745 -6.624 -26.306 1.00 0.00 C ATOM 576 C ARG A 122 -8.750 -6.257 -27.403 1.00 0.00 C ATOM 577 O ARG A 122 -7.687 -6.866 -27.519 1.00 0.00 O ATOM 578 CB ARG A 122 -10.628 -7.783 -26.771 1.00 0.00 C ATOM 579 CG ARG A 122 -10.374 -9.081 -26.022 1.00 0.00 C ATOM 580 CD ARG A 122 -11.674 -9.727 -25.568 1.00 0.00 C ATOM 581 NE ARG A 122 -11.506 -11.147 -25.274 1.00 0.00 N ATOM 582 CZ ARG A 122 -11.428 -12.087 -26.210 1.00 0.00 C ATOM 583 NH1 ARG A 122 -11.502 -11.759 -27.493 1.00 0.00 N ATOM 584 NH2 ARG A 122 -11.275 -13.359 -25.864 1.00 0.00 N ATOM 0 H ARG A 122 -11.432 -5.391 -26.477 1.00 0.00 H new ATOM 0 HA ARG A 122 -9.187 -6.933 -25.422 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.674 -7.503 -26.650 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -10.463 -7.950 -27.836 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -9.828 -9.772 -26.664 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.742 -8.885 -25.156 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -12.043 -9.214 -24.680 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -12.430 -9.604 -26.344 1.00 0.00 H new ATOM 0 HE ARG A 122 -11.445 -11.433 -24.297 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -11.619 -10.783 -27.764 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -11.442 -12.483 -28.209 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -11.217 -13.616 -24.879 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -11.215 -14.080 -26.583 1.00 0.00 H new ATOM 598 N ALA A 123 -9.103 -5.258 -28.205 1.00 0.00 N ATOM 599 CA ALA A 123 -8.240 -4.810 -29.292 1.00 0.00 C ATOM 600 C ALA A 123 -6.910 -4.290 -28.757 1.00 0.00 C ATOM 601 O ALA A 123 -5.902 -4.300 -29.462 1.00 0.00 O ATOM 602 CB ALA A 123 -8.939 -3.734 -30.110 1.00 0.00 C ATOM 0 H ALA A 123 -9.980 -4.744 -28.123 1.00 0.00 H new ATOM 0 HA ALA A 123 -8.034 -5.665 -29.936 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -8.284 -3.408 -30.918 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -9.860 -4.137 -30.530 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -9.174 -2.885 -29.469 1.00 0.00 H new ATOM 608 N MET A 124 -6.916 -3.836 -27.508 1.00 0.00 N ATOM 609 CA MET A 124 -5.709 -3.312 -26.880 1.00 0.00 C ATOM 610 C MET A 124 -4.653 -4.404 -26.738 1.00 0.00 C ATOM 611 O MET A 124 -3.459 -4.150 -26.891 1.00 0.00 O ATOM 612 CB MET A 124 -6.037 -2.722 -25.507 1.00 0.00 C ATOM 613 CG MET A 124 -6.830 -1.428 -25.577 1.00 0.00 C ATOM 614 SD MET A 124 -5.848 -0.043 -26.185 1.00 0.00 S ATOM 615 CE MET A 124 -7.025 0.754 -27.275 1.00 0.00 C ATOM 0 H MET A 124 -7.743 -3.820 -26.911 1.00 0.00 H new ATOM 0 HA MET A 124 -5.309 -2.525 -27.519 1.00 0.00 H new ATOM 0 HB2 MET A 124 -6.603 -3.455 -24.931 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.108 -2.541 -24.967 1.00 0.00 H new ATOM 0 HG2 MET A 124 -7.693 -1.570 -26.228 1.00 0.00 H new ATOM 0 HG3 MET A 124 -7.215 -1.188 -24.586 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.564 1.631 -27.729 1.00 0.00 H new ATOM 0 HE2 MET A 124 -7.326 0.057 -28.057 1.00 0.00 H new ATOM 0 HE3 MET A 124 -7.901 1.059 -26.703 1.00 0.00 H new ATOM 625 N ASN A 125 -5.102 -5.620 -26.443 1.00 0.00 N ATOM 626 CA ASN A 125 -4.195 -6.750 -26.279 1.00 0.00 C ATOM 627 C ASN A 125 -3.350 -6.956 -27.532 1.00 0.00 C ATOM 628 O ASN A 125 -2.207 -7.406 -27.456 1.00 0.00 O ATOM 629 CB ASN A 125 -4.984 -8.023 -25.967 1.00 0.00 C ATOM 630 CG ASN A 125 -4.556 -8.664 -24.661 1.00 0.00 C ATOM 631 OD1 ASN A 125 -5.319 -8.704 -23.696 1.00 0.00 O ATOM 632 ND2 ASN A 125 -3.328 -9.169 -24.624 1.00 0.00 N ATOM 0 H ASN A 125 -6.088 -5.848 -26.313 1.00 0.00 H new ATOM 0 HA ASN A 125 -3.528 -6.530 -25.445 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -6.047 -7.786 -25.921 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -4.852 -8.737 -26.780 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.984 -9.612 -23.772 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -2.729 -9.114 -25.448 1.00 0.00 H new ATOM 639 N ARG A 126 -3.922 -6.624 -28.685 1.00 0.00 N ATOM 640 CA ARG A 126 -3.222 -6.773 -29.955 1.00 0.00 C ATOM 641 C ARG A 126 -1.874 -6.059 -29.921 1.00 0.00 C ATOM 642 O ARG A 126 -0.832 -6.663 -30.178 1.00 0.00 O ATOM 643 CB ARG A 126 -4.075 -6.222 -31.099 1.00 0.00 C ATOM 644 CG ARG A 126 -3.556 -6.591 -32.479 1.00 0.00 C ATOM 645 CD ARG A 126 -3.836 -8.050 -32.808 1.00 0.00 C ATOM 646 NE ARG A 126 -3.634 -8.340 -34.225 1.00 0.00 N ATOM 647 CZ ARG A 126 -3.942 -9.503 -34.788 1.00 0.00 C ATOM 648 NH1 ARG A 126 -4.465 -10.479 -34.058 1.00 0.00 N ATOM 649 NH2 ARG A 126 -3.729 -9.691 -36.083 1.00 0.00 N ATOM 0 H ARG A 126 -4.868 -6.250 -28.766 1.00 0.00 H new ATOM 0 HA ARG A 126 -3.046 -7.836 -30.121 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.094 -6.593 -30.992 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -4.121 -5.136 -31.016 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -4.024 -5.952 -33.228 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.483 -6.405 -32.527 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.184 -8.688 -32.211 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.862 -8.294 -32.531 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.235 -7.610 -34.815 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.632 -10.338 -33.062 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -4.701 -11.371 -34.493 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.328 -8.942 -36.648 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.966 -10.584 -36.514 1.00 0.00 H new ATOM 663 N LEU A 127 -1.902 -4.769 -29.602 1.00 0.00 N ATOM 664 CA LEU A 127 -0.683 -3.972 -29.535 1.00 0.00 C ATOM 665 C LEU A 127 -0.094 -3.995 -28.128 1.00 0.00 C ATOM 666 O LEU A 127 1.088 -4.283 -27.943 1.00 0.00 O ATOM 667 CB LEU A 127 -0.970 -2.529 -29.956 1.00 0.00 C ATOM 668 CG LEU A 127 0.176 -1.534 -29.767 1.00 0.00 C ATOM 669 CD1 LEU A 127 1.292 -1.809 -30.761 1.00 0.00 C ATOM 670 CD2 LEU A 127 -0.329 -0.106 -29.910 1.00 0.00 C ATOM 0 H LEU A 127 -2.755 -4.254 -29.386 1.00 0.00 H new ATOM 0 HA LEU A 127 0.044 -4.407 -30.221 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.255 -2.529 -31.008 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.832 -2.172 -29.392 1.00 0.00 H new ATOM 0 HG LEU A 127 0.576 -1.658 -28.761 1.00 0.00 H new ATOM 0 HD11 LEU A 127 2.098 -1.091 -30.611 1.00 0.00 H new ATOM 0 HD12 LEU A 127 1.673 -2.819 -30.610 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.906 -1.715 -31.776 1.00 0.00 H new ATOM 0 HD21 LEU A 127 0.500 0.588 -29.772 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.756 0.031 -30.903 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.093 0.087 -29.157 1.00 0.00 H new TER 682 LEU A 127