USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 550 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 73 TYR OH : rot 180:sc= -0.0304 USER MOD Set 1.2: A 77 MET CE :methyl -113:sc= -0.33 (180deg=-0.179) USER MOD Single : A 12 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 46 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.8!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -96:sc= 1.28 USER MOD Single : A 57 SER OG : rot 78:sc= 1.19 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0268 (180deg=-0.271) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 1.12 (180deg=1.05) USER MOD Single : A 67 THR OG1 : rot 73:sc= 1.08 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.015 K(o=-0.015,f=-0.86) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc=-0.00774 (180deg=-0.127) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.499 X(o=-0.5,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 171:sc= 1.3 (180deg=1.18) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 93:sc= 1.35 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 -3.103 49.735 21.591 1.00 0.00 N ATOM 22 CA ALA A 2 -3.476 48.408 22.107 1.00 0.00 C ATOM 23 C ALA A 2 -4.934 48.036 21.844 1.00 0.00 C ATOM 24 O ALA A 2 -5.219 46.952 21.326 1.00 0.00 O ATOM 25 CB ALA A 2 -3.157 48.309 23.590 1.00 0.00 C ATOM 0 HA ALA A 2 -2.877 47.684 21.554 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.438 47.322 23.958 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.089 48.462 23.743 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.715 49.071 24.134 1.00 0.00 H new ATOM 31 N ASP A 3 -5.837 48.945 22.144 1.00 0.00 N ATOM 32 CA ASP A 3 -7.276 48.689 21.984 1.00 0.00 C ATOM 33 C ASP A 3 -7.631 48.549 20.509 1.00 0.00 C ATOM 34 O ASP A 3 -8.356 47.637 20.106 1.00 0.00 O ATOM 35 CB ASP A 3 -8.093 49.817 22.617 1.00 0.00 C ATOM 36 CG ASP A 3 -9.591 49.602 22.517 1.00 0.00 C ATOM 37 OD1 ASP A 3 -10.165 48.904 23.384 1.00 0.00 O ATOM 38 OD2 ASP A 3 -10.225 50.170 21.596 1.00 0.00 O ATOM 0 H ASP A 3 -5.612 49.873 22.502 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.517 47.755 22.492 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.816 49.912 23.667 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.835 50.759 22.133 1.00 0.00 H new ATOM 43 N GLU A 4 -7.049 49.419 19.711 1.00 0.00 N ATOM 44 CA GLU A 4 -7.274 49.458 18.276 1.00 0.00 C ATOM 45 C GLU A 4 -6.745 48.168 17.635 1.00 0.00 C ATOM 46 O GLU A 4 -7.405 47.554 16.789 1.00 0.00 O ATOM 47 CB GLU A 4 -6.535 50.657 17.694 1.00 0.00 C ATOM 48 CG GLU A 4 -6.877 50.987 16.259 1.00 0.00 C ATOM 49 CD GLU A 4 -8.312 51.394 16.106 1.00 0.00 C ATOM 50 OE1 GLU A 4 -8.645 52.555 16.412 1.00 0.00 O ATOM 51 OE2 GLU A 4 -9.133 50.565 15.666 1.00 0.00 O ATOM 0 H GLU A 4 -6.397 50.130 20.042 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.341 49.545 18.072 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.747 51.530 18.312 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.463 50.471 17.762 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.232 51.792 15.908 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.676 50.120 15.629 1.00 0.00 H new ATOM 58 N GLU A 5 -5.568 47.765 18.064 1.00 0.00 N ATOM 59 CA GLU A 5 -4.913 46.571 17.570 1.00 0.00 C ATOM 60 C GLU A 5 -5.644 45.308 18.009 1.00 0.00 C ATOM 61 O GLU A 5 -5.712 44.336 17.260 1.00 0.00 O ATOM 62 CB GLU A 5 -3.452 46.553 17.995 1.00 0.00 C ATOM 63 CG GLU A 5 -2.645 47.680 17.377 1.00 0.00 C ATOM 64 CD GLU A 5 -1.218 47.702 17.836 1.00 0.00 C ATOM 65 OE1 GLU A 5 -0.421 46.855 17.375 1.00 0.00 O ATOM 66 OE2 GLU A 5 -0.852 48.573 18.651 1.00 0.00 O ATOM 0 H GLU A 5 -5.032 48.263 18.775 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.947 46.591 16.481 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.394 46.624 19.081 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.008 45.598 17.714 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.670 47.584 16.292 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.114 48.632 17.623 1.00 0.00 H new ATOM 73 N LEU A 6 -6.199 45.335 19.211 1.00 0.00 N ATOM 74 CA LEU A 6 -7.016 44.237 19.711 1.00 0.00 C ATOM 75 C LEU A 6 -8.240 44.083 18.814 1.00 0.00 C ATOM 76 O LEU A 6 -8.546 42.988 18.338 1.00 0.00 O ATOM 77 CB LEU A 6 -7.440 44.508 21.162 1.00 0.00 C ATOM 78 CG LEU A 6 -8.311 43.442 21.838 1.00 0.00 C ATOM 79 CD1 LEU A 6 -7.579 42.107 21.919 1.00 0.00 C ATOM 80 CD2 LEU A 6 -8.734 43.907 23.221 1.00 0.00 C ATOM 0 H LEU A 6 -6.098 46.112 19.864 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.439 43.313 19.696 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.539 44.640 21.760 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.980 45.454 21.187 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.205 43.296 21.231 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.220 41.370 22.403 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.329 41.767 20.914 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.664 42.228 22.499 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.352 43.141 23.689 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.849 44.083 23.832 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.305 44.831 23.135 1.00 0.00 H new ATOM 92 N GLU A 7 -8.898 45.204 18.552 1.00 0.00 N ATOM 93 CA GLU A 7 -10.046 45.266 17.656 1.00 0.00 C ATOM 94 C GLU A 7 -9.693 44.819 16.241 1.00 0.00 C ATOM 95 O GLU A 7 -10.520 44.210 15.550 1.00 0.00 O ATOM 96 CB GLU A 7 -10.597 46.679 17.631 1.00 0.00 C ATOM 97 CG GLU A 7 -11.427 47.031 18.840 1.00 0.00 C ATOM 98 CD GLU A 7 -12.766 46.355 18.801 1.00 0.00 C ATOM 99 OE1 GLU A 7 -13.667 46.890 18.131 1.00 0.00 O ATOM 100 OE2 GLU A 7 -12.955 45.280 19.396 1.00 0.00 O ATOM 0 H GLU A 7 -8.648 46.105 18.959 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.802 44.579 18.036 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.767 47.381 17.555 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.205 46.806 16.735 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.896 46.738 19.746 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.564 48.111 18.887 1.00 0.00 H new ATOM 107 N ALA A 8 -8.485 45.134 15.816 1.00 0.00 N ATOM 108 CA ALA A 8 -8.003 44.752 14.504 1.00 0.00 C ATOM 109 C ALA A 8 -7.823 43.248 14.424 1.00 0.00 C ATOM 110 O ALA A 8 -8.307 42.623 13.501 1.00 0.00 O ATOM 111 CB ALA A 8 -6.698 45.466 14.172 1.00 0.00 C ATOM 0 H ALA A 8 -7.811 45.662 16.370 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.748 45.053 13.767 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.358 45.161 13.182 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.860 46.544 14.184 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.942 45.204 14.912 1.00 0.00 H new ATOM 117 N LEU A 9 -7.160 42.676 15.423 1.00 0.00 N ATOM 118 CA LEU A 9 -6.905 41.232 15.489 1.00 0.00 C ATOM 119 C LEU A 9 -8.246 40.482 15.557 1.00 0.00 C ATOM 120 O LEU A 9 -8.461 39.482 14.851 1.00 0.00 O ATOM 121 CB LEU A 9 -6.005 40.936 16.730 1.00 0.00 C ATOM 122 CG LEU A 9 -5.387 39.520 16.892 1.00 0.00 C ATOM 123 CD1 LEU A 9 -4.319 39.553 17.966 1.00 0.00 C ATOM 124 CD2 LEU A 9 -6.426 38.473 17.273 1.00 0.00 C ATOM 0 H LEU A 9 -6.781 43.197 16.214 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.379 40.888 14.598 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.185 41.654 16.720 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.597 41.141 17.622 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.964 39.242 15.927 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.886 38.559 18.079 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.539 40.259 17.681 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.763 39.865 18.911 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.943 37.501 17.374 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.889 38.748 18.221 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.190 38.420 16.498 1.00 0.00 H new ATOM 136 N ARG A 10 -9.135 41.005 16.379 1.00 0.00 N ATOM 137 CA ARG A 10 -10.480 40.476 16.580 1.00 0.00 C ATOM 138 C ARG A 10 -11.263 40.408 15.250 1.00 0.00 C ATOM 139 O ARG A 10 -11.987 39.448 14.986 1.00 0.00 O ATOM 140 CB ARG A 10 -11.181 41.355 17.625 1.00 0.00 C ATOM 141 CG ARG A 10 -12.622 41.022 17.931 1.00 0.00 C ATOM 142 CD ARG A 10 -13.111 41.829 19.122 1.00 0.00 C ATOM 143 NE ARG A 10 -12.416 41.446 20.357 1.00 0.00 N ATOM 144 CZ ARG A 10 -12.233 42.228 21.431 1.00 0.00 C ATOM 145 NH1 ARG A 10 -12.467 43.536 21.370 1.00 0.00 N ATOM 146 NH2 ARG A 10 -11.734 41.710 22.545 1.00 0.00 N ATOM 0 H ARG A 10 -8.941 41.832 16.943 1.00 0.00 H new ATOM 0 HA ARG A 10 -10.432 39.450 16.946 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.613 41.298 18.554 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.135 42.390 17.286 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.243 41.233 17.061 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.719 39.957 18.141 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.956 42.891 18.931 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.184 41.681 19.247 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.038 40.500 20.402 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.790 43.956 20.498 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.324 44.119 22.195 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.491 40.720 22.583 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.593 42.301 23.364 1.00 0.00 H new ATOM 160 N ARG A 11 -11.108 41.416 14.424 1.00 0.00 N ATOM 161 CA ARG A 11 -11.731 41.429 13.108 1.00 0.00 C ATOM 162 C ARG A 11 -10.931 40.609 12.097 1.00 0.00 C ATOM 163 O ARG A 11 -11.499 39.966 11.228 1.00 0.00 O ATOM 164 CB ARG A 11 -11.922 42.854 12.621 1.00 0.00 C ATOM 165 CG ARG A 11 -13.030 43.594 13.341 1.00 0.00 C ATOM 166 CD ARG A 11 -13.014 45.067 12.998 1.00 0.00 C ATOM 167 NE ARG A 11 -14.180 45.779 13.533 1.00 0.00 N ATOM 168 CZ ARG A 11 -14.226 46.360 14.727 1.00 0.00 C ATOM 169 NH1 ARG A 11 -13.264 46.125 15.613 1.00 0.00 N ATOM 170 NH2 ARG A 11 -15.248 47.143 15.055 1.00 0.00 N ATOM 0 H ARG A 11 -10.554 42.246 14.636 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.712 40.962 13.201 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.988 43.401 12.748 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.140 42.839 11.553 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.994 43.165 13.069 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.916 43.467 14.418 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.104 45.519 13.392 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.985 45.185 11.915 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.013 45.832 12.947 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.493 45.500 15.376 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.296 46.569 16.531 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.004 47.301 14.388 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.277 47.586 15.973 1.00 0.00 H new ATOM 184 N GLN A 12 -9.619 40.628 12.245 1.00 0.00 N ATOM 185 CA GLN A 12 -8.679 39.942 11.352 1.00 0.00 C ATOM 186 C GLN A 12 -8.956 38.448 11.265 1.00 0.00 C ATOM 187 O GLN A 12 -8.959 37.881 10.178 1.00 0.00 O ATOM 188 CB GLN A 12 -7.245 40.179 11.818 1.00 0.00 C ATOM 189 CG GLN A 12 -6.171 39.531 10.952 1.00 0.00 C ATOM 190 CD GLN A 12 -4.774 39.730 11.507 1.00 0.00 C ATOM 191 OE1 GLN A 12 -4.554 40.821 12.180 1.00 0.00 O flip ATOM 192 NE2 GLN A 12 -3.894 38.893 11.323 1.00 0.00 N flip ATOM 0 H GLN A 12 -9.158 41.130 13.004 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.815 40.360 10.354 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.063 41.253 11.853 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.143 39.805 12.837 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.375 38.464 10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.221 39.948 9.946 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.098 38.047 10.791 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.959 39.044 11.703 1.00 0.00 H new ATOM 201 N ARG A 13 -9.210 37.815 12.399 1.00 0.00 N ATOM 202 CA ARG A 13 -9.473 36.385 12.391 1.00 0.00 C ATOM 203 C ARG A 13 -10.791 36.072 11.672 1.00 0.00 C ATOM 204 O ARG A 13 -10.909 35.055 10.992 1.00 0.00 O ATOM 205 CB ARG A 13 -9.426 35.776 13.801 1.00 0.00 C ATOM 206 CG ARG A 13 -8.444 34.602 13.915 1.00 0.00 C ATOM 207 CD ARG A 13 -8.839 33.438 13.006 1.00 0.00 C ATOM 208 NE ARG A 13 -7.794 32.409 12.915 1.00 0.00 N ATOM 209 CZ ARG A 13 -7.855 31.312 12.136 1.00 0.00 C ATOM 210 NH1 ARG A 13 -8.971 31.029 11.462 1.00 0.00 N ATOM 211 NH2 ARG A 13 -6.802 30.501 12.044 1.00 0.00 N ATOM 0 H ARG A 13 -9.240 38.257 13.318 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.670 35.910 11.828 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.144 36.549 14.515 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.424 35.436 14.077 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.441 34.941 13.656 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.407 34.259 14.949 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.757 32.985 13.381 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.056 33.819 12.008 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.958 32.535 13.486 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.781 31.644 11.536 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.014 30.197 10.873 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.950 30.711 12.564 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.848 29.670 11.454 1.00 0.00 H new ATOM 225 N LEU A 14 -11.761 36.954 11.794 1.00 0.00 N ATOM 226 CA LEU A 14 -13.001 36.808 11.087 1.00 0.00 C ATOM 227 C LEU A 14 -12.827 37.097 9.606 1.00 0.00 C ATOM 228 O LEU A 14 -13.516 36.518 8.754 1.00 0.00 O ATOM 229 CB LEU A 14 -14.066 37.689 11.686 1.00 0.00 C ATOM 230 CG LEU A 14 -14.873 37.125 12.870 1.00 0.00 C ATOM 231 CD1 LEU A 14 -14.000 36.841 14.084 1.00 0.00 C ATOM 232 CD2 LEU A 14 -16.009 38.059 13.227 1.00 0.00 C ATOM 0 H LEU A 14 -11.706 37.784 12.384 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.322 35.771 11.187 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.592 38.615 12.013 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.769 37.952 10.895 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.289 36.169 12.553 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.617 36.445 14.891 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.236 36.110 13.820 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.522 37.764 14.412 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.570 37.646 14.066 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.606 39.033 13.505 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.671 38.172 12.368 1.00 0.00 H new ATOM 656 N ILE A 43 1.210 -0.495 -1.347 1.00 0.00 N ATOM 657 CA ILE A 43 0.920 -1.893 -1.104 1.00 0.00 C ATOM 658 C ILE A 43 -0.159 -2.400 -2.055 1.00 0.00 C ATOM 659 O ILE A 43 -0.079 -3.519 -2.556 1.00 0.00 O ATOM 660 CB ILE A 43 0.568 -2.221 0.378 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.674 -1.450 0.855 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.766 -1.924 1.276 1.00 0.00 C ATOM 663 CD1 ILE A 43 -1.113 -1.798 2.258 1.00 0.00 C ATOM 0 HA ILE A 43 1.848 -2.428 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 43 0.330 -3.283 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.467 -0.381 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.497 -1.647 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.512 -2.156 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.614 -2.534 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.029 -0.869 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.994 -1.212 2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.354 -2.860 2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.308 -1.574 2.957 1.00 0.00 H new ATOM 675 N LEU A 44 -1.146 -1.549 -2.330 1.00 0.00 N ATOM 676 CA LEU A 44 -2.256 -1.890 -3.219 1.00 0.00 C ATOM 677 C LEU A 44 -1.761 -2.233 -4.619 1.00 0.00 C ATOM 678 O LEU A 44 -2.175 -3.221 -5.197 1.00 0.00 O ATOM 679 CB LEU A 44 -3.271 -0.747 -3.279 1.00 0.00 C ATOM 680 CG LEU A 44 -3.964 -0.392 -1.958 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.859 0.816 -2.133 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.767 -1.573 -1.432 1.00 0.00 C ATOM 0 H LEU A 44 -1.199 -0.606 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.747 -2.773 -2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.764 0.143 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.037 -1.006 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.192 -0.150 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.342 1.052 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.261 1.668 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.620 0.600 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.249 -1.296 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.527 -1.851 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.101 -2.419 -1.262 1.00 0.00 H new ATOM 694 N ALA A 45 -0.850 -1.432 -5.133 1.00 0.00 N ATOM 695 CA ALA A 45 -0.260 -1.637 -6.453 1.00 0.00 C ATOM 696 C ALA A 45 0.573 -2.924 -6.534 1.00 0.00 C ATOM 697 O ALA A 45 0.884 -3.394 -7.627 1.00 0.00 O ATOM 698 CB ALA A 45 0.588 -0.437 -6.857 1.00 0.00 C ATOM 0 H ALA A 45 -0.491 -0.611 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.089 -1.744 -7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.018 -0.611 -7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.036 0.456 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.389 -0.297 -6.131 1.00 0.00 H new ATOM 704 N GLN A 46 0.968 -3.463 -5.394 1.00 0.00 N ATOM 705 CA GLN A 46 1.755 -4.689 -5.375 1.00 0.00 C ATOM 706 C GLN A 46 0.880 -5.926 -5.198 1.00 0.00 C ATOM 707 O GLN A 46 1.260 -7.019 -5.611 1.00 0.00 O ATOM 708 CB GLN A 46 2.839 -4.644 -4.288 1.00 0.00 C ATOM 709 CG GLN A 46 3.913 -3.571 -4.492 1.00 0.00 C ATOM 710 CD GLN A 46 4.787 -3.781 -5.735 1.00 0.00 C ATOM 711 OE1 GLN A 46 4.356 -4.333 -6.755 1.00 0.00 O ATOM 712 NE2 GLN A 46 6.012 -3.346 -5.661 1.00 0.00 N ATOM 0 H GLN A 46 0.760 -3.076 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 46 2.244 -4.761 -6.347 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.359 -4.478 -3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.325 -5.619 -4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.428 -2.597 -4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.555 -3.544 -3.611 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.342 -2.894 -4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.641 -3.457 -6.456 1.00 0.00 H new ATOM 721 N VAL A 47 -0.276 -5.761 -4.585 1.00 0.00 N ATOM 722 CA VAL A 47 -1.180 -6.890 -4.368 1.00 0.00 C ATOM 723 C VAL A 47 -2.224 -6.986 -5.471 1.00 0.00 C ATOM 724 O VAL A 47 -2.639 -8.076 -5.861 1.00 0.00 O ATOM 725 CB VAL A 47 -1.846 -6.867 -2.955 1.00 0.00 C ATOM 726 CG1 VAL A 47 -0.778 -6.882 -1.871 1.00 0.00 C ATOM 727 CG2 VAL A 47 -2.764 -5.663 -2.772 1.00 0.00 C ATOM 0 H VAL A 47 -0.616 -4.868 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.566 -7.790 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.462 -7.762 -2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.254 -6.866 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.175 -7.785 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.138 -6.006 -1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.204 -5.689 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.188 -4.745 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.557 -5.693 -3.520 1.00 0.00 H new ATOM 737 N LEU A 48 -2.618 -5.862 -5.992 1.00 0.00 N ATOM 738 CA LEU A 48 -3.554 -5.821 -7.070 1.00 0.00 C ATOM 739 C LEU A 48 -2.799 -5.833 -8.352 1.00 0.00 C ATOM 740 O LEU A 48 -1.841 -5.074 -8.515 1.00 0.00 O ATOM 741 CB LEU A 48 -4.409 -4.546 -7.020 1.00 0.00 C ATOM 742 CG LEU A 48 -5.317 -4.362 -5.800 1.00 0.00 C ATOM 743 CD1 LEU A 48 -5.946 -2.985 -5.817 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.402 -5.416 -5.781 1.00 0.00 C ATOM 0 H LEU A 48 -2.297 -4.946 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.214 -6.685 -6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.740 -3.688 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.033 -4.522 -7.913 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.707 -4.467 -4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.589 -2.868 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.163 -2.227 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.540 -2.867 -6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.037 -5.269 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.005 -5.334 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.947 -6.406 -5.737 1.00 0.00 H new ATOM 756 N ASP A 49 -3.173 -6.713 -9.230 1.00 0.00 N ATOM 757 CA ASP A 49 -2.651 -6.735 -10.567 1.00 0.00 C ATOM 758 C ASP A 49 -3.033 -5.417 -11.235 1.00 0.00 C ATOM 759 O ASP A 49 -4.017 -4.775 -10.826 1.00 0.00 O ATOM 760 CB ASP A 49 -3.264 -7.905 -11.344 1.00 0.00 C ATOM 761 CG ASP A 49 -2.684 -8.067 -12.723 1.00 0.00 C ATOM 762 OD1 ASP A 49 -3.176 -7.415 -13.669 1.00 0.00 O ATOM 763 OD2 ASP A 49 -1.730 -8.855 -12.887 1.00 0.00 O ATOM 0 H ASP A 49 -3.857 -7.445 -9.039 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.568 -6.858 -10.553 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.111 -8.826 -10.782 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.341 -7.755 -11.425 1.00 0.00 H new ATOM 768 N GLN A 50 -2.294 -5.028 -12.243 1.00 0.00 N ATOM 769 CA GLN A 50 -2.516 -3.763 -12.947 1.00 0.00 C ATOM 770 C GLN A 50 -3.955 -3.675 -13.463 1.00 0.00 C ATOM 771 O GLN A 50 -4.566 -2.609 -13.434 1.00 0.00 O ATOM 772 CB GLN A 50 -1.542 -3.622 -14.115 1.00 0.00 C ATOM 773 CG GLN A 50 -1.611 -2.283 -14.832 1.00 0.00 C ATOM 774 CD GLN A 50 -0.702 -2.233 -16.033 1.00 0.00 C ATOM 775 OE1 GLN A 50 0.472 -1.867 -15.930 1.00 0.00 O ATOM 776 NE2 GLN A 50 -1.222 -2.575 -17.173 1.00 0.00 N ATOM 0 H GLN A 50 -1.514 -5.573 -12.610 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.345 -2.951 -12.240 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.527 -3.771 -13.746 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.739 -4.416 -14.835 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.637 -2.094 -15.147 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.339 -1.487 -14.139 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.196 -2.873 -17.220 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.656 -2.546 -18.021 1.00 0.00 H new ATOM 785 N SER A 51 -4.498 -4.814 -13.858 1.00 0.00 N ATOM 786 CA SER A 51 -5.843 -4.897 -14.383 1.00 0.00 C ATOM 787 C SER A 51 -6.868 -4.537 -13.300 1.00 0.00 C ATOM 788 O SER A 51 -7.765 -3.719 -13.513 1.00 0.00 O ATOM 789 CB SER A 51 -6.085 -6.312 -14.916 1.00 0.00 C ATOM 790 OG SER A 51 -5.758 -7.292 -13.927 1.00 0.00 O ATOM 0 H SER A 51 -4.012 -5.710 -13.822 1.00 0.00 H new ATOM 0 HA SER A 51 -5.960 -4.183 -15.198 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.129 -6.421 -15.210 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.483 -6.476 -15.810 1.00 0.00 H new ATOM 0 HG SER A 51 -4.843 -7.611 -14.073 1.00 0.00 H new ATOM 796 N ALA A 52 -6.682 -5.116 -12.125 1.00 0.00 N ATOM 797 CA ALA A 52 -7.561 -4.896 -11.000 1.00 0.00 C ATOM 798 C ALA A 52 -7.403 -3.496 -10.468 1.00 0.00 C ATOM 799 O ALA A 52 -8.373 -2.860 -10.106 1.00 0.00 O ATOM 800 CB ALA A 52 -7.288 -5.898 -9.904 1.00 0.00 C ATOM 0 H ALA A 52 -5.911 -5.755 -11.929 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.587 -5.026 -11.345 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.961 -5.714 -9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.450 -6.907 -10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.256 -5.798 -9.568 1.00 0.00 H new ATOM 806 N ARG A 53 -6.178 -3.007 -10.441 1.00 0.00 N ATOM 807 CA ARG A 53 -5.908 -1.673 -9.955 1.00 0.00 C ATOM 808 C ARG A 53 -6.577 -0.654 -10.878 1.00 0.00 C ATOM 809 O ARG A 53 -7.185 0.324 -10.422 1.00 0.00 O ATOM 810 CB ARG A 53 -4.413 -1.428 -9.909 1.00 0.00 C ATOM 811 CG ARG A 53 -4.020 -0.159 -9.174 1.00 0.00 C ATOM 812 CD ARG A 53 -4.350 -0.214 -7.674 1.00 0.00 C ATOM 813 NE ARG A 53 -4.244 1.113 -7.037 1.00 0.00 N ATOM 814 CZ ARG A 53 -5.056 1.588 -6.059 1.00 0.00 C ATOM 815 NH1 ARG A 53 -6.056 0.856 -5.577 1.00 0.00 N ATOM 816 NH2 ARG A 53 -4.862 2.796 -5.569 1.00 0.00 N ATOM 0 H ARG A 53 -5.352 -3.519 -10.752 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.309 -1.568 -8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.930 -2.279 -9.429 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.031 -1.379 -10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.951 0.012 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.534 0.690 -9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.360 -0.602 -7.539 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.672 -0.909 -7.179 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.496 1.726 -7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.224 -0.081 -5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.655 1.232 -4.842 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.101 3.375 -5.925 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.473 3.152 -4.834 1.00 0.00 H new ATOM 830 N ALA A 54 -6.470 -0.907 -12.165 1.00 0.00 N ATOM 831 CA ALA A 54 -7.124 -0.084 -13.184 1.00 0.00 C ATOM 832 C ALA A 54 -8.635 -0.141 -13.010 1.00 0.00 C ATOM 833 O ALA A 54 -9.298 0.891 -12.959 1.00 0.00 O ATOM 834 CB ALA A 54 -6.739 -0.543 -14.583 1.00 0.00 C ATOM 0 H ALA A 54 -5.930 -1.685 -12.543 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.789 0.946 -13.060 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.238 0.084 -15.322 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.659 -0.462 -14.708 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.044 -1.580 -14.722 1.00 0.00 H new ATOM 840 N ARG A 55 -9.163 -1.353 -12.872 1.00 0.00 N ATOM 841 CA ARG A 55 -10.575 -1.575 -12.665 1.00 0.00 C ATOM 842 C ARG A 55 -11.057 -0.856 -11.409 1.00 0.00 C ATOM 843 O ARG A 55 -12.117 -0.254 -11.401 1.00 0.00 O ATOM 844 CB ARG A 55 -10.839 -3.069 -12.548 1.00 0.00 C ATOM 845 CG ARG A 55 -12.300 -3.422 -12.604 1.00 0.00 C ATOM 846 CD ARG A 55 -12.905 -2.994 -13.932 1.00 0.00 C ATOM 847 NE ARG A 55 -12.177 -3.549 -15.080 1.00 0.00 N ATOM 848 CZ ARG A 55 -12.260 -3.114 -16.338 1.00 0.00 C ATOM 849 NH1 ARG A 55 -13.075 -2.112 -16.654 1.00 0.00 N ATOM 850 NH2 ARG A 55 -11.519 -3.698 -17.265 1.00 0.00 N ATOM 0 H ARG A 55 -8.612 -2.211 -12.902 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.124 -1.174 -13.517 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.316 -3.587 -13.352 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.420 -3.432 -11.609 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.425 -4.497 -12.471 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.829 -2.936 -11.784 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.946 -3.315 -13.975 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.904 -1.906 -13.995 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.553 -4.336 -14.900 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.643 -1.670 -15.932 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.132 -1.786 -17.619 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.898 -4.467 -17.012 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.568 -3.380 -18.233 1.00 0.00 H new ATOM 864 N LEU A 56 -10.248 -0.887 -10.377 1.00 0.00 N ATOM 865 CA LEU A 56 -10.581 -0.256 -9.121 1.00 0.00 C ATOM 866 C LEU A 56 -10.571 1.269 -9.255 1.00 0.00 C ATOM 867 O LEU A 56 -11.311 1.969 -8.576 1.00 0.00 O ATOM 868 CB LEU A 56 -9.633 -0.726 -8.019 1.00 0.00 C ATOM 869 CG LEU A 56 -10.002 -0.313 -6.606 1.00 0.00 C ATOM 870 CD1 LEU A 56 -11.426 -0.742 -6.296 1.00 0.00 C ATOM 871 CD2 LEU A 56 -9.044 -0.940 -5.617 1.00 0.00 C ATOM 0 H LEU A 56 -9.339 -1.351 -10.384 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.592 -0.553 -8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.576 -1.814 -8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.635 -0.347 -8.239 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.934 0.772 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.683 -0.442 -5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.110 -0.267 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.507 -1.825 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.316 -0.638 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.096 -2.026 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.029 -0.608 -5.834 1.00 0.00 H new ATOM 883 N SER A 57 -9.756 1.766 -10.153 1.00 0.00 N ATOM 884 CA SER A 57 -9.711 3.175 -10.439 1.00 0.00 C ATOM 885 C SER A 57 -11.029 3.587 -11.121 1.00 0.00 C ATOM 886 O SER A 57 -11.597 4.646 -10.843 1.00 0.00 O ATOM 887 CB SER A 57 -8.512 3.460 -11.327 1.00 0.00 C ATOM 888 OG SER A 57 -7.290 3.068 -10.679 1.00 0.00 O ATOM 0 H SER A 57 -9.107 1.204 -10.704 1.00 0.00 H new ATOM 0 HA SER A 57 -9.603 3.755 -9.523 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.617 2.923 -12.270 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.476 4.523 -11.567 1.00 0.00 H new ATOM 0 HG SER A 57 -7.188 2.095 -10.734 1.00 0.00 H new ATOM 894 N ASN A 58 -11.509 2.711 -11.985 1.00 0.00 N ATOM 895 CA ASN A 58 -12.816 2.856 -12.643 1.00 0.00 C ATOM 896 C ASN A 58 -13.946 2.811 -11.605 1.00 0.00 C ATOM 897 O ASN A 58 -14.958 3.511 -11.738 1.00 0.00 O ATOM 898 CB ASN A 58 -13.050 1.742 -13.681 1.00 0.00 C ATOM 899 CG ASN A 58 -12.172 1.810 -14.919 1.00 0.00 C ATOM 900 OD1 ASN A 58 -11.044 2.311 -14.893 1.00 0.00 O ATOM 901 ND2 ASN A 58 -12.681 1.292 -16.013 1.00 0.00 N ATOM 0 H ASN A 58 -11.006 1.867 -12.259 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.817 3.820 -13.152 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.892 0.778 -13.197 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.094 1.774 -13.994 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.141 1.295 -16.878 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.617 0.886 -15.998 1.00 0.00 H new ATOM 908 N LEU A 59 -13.776 1.970 -10.586 1.00 0.00 N ATOM 909 CA LEU A 59 -14.727 1.867 -9.474 1.00 0.00 C ATOM 910 C LEU A 59 -14.821 3.165 -8.700 1.00 0.00 C ATOM 911 O LEU A 59 -15.902 3.546 -8.257 1.00 0.00 O ATOM 912 CB LEU A 59 -14.390 0.706 -8.517 1.00 0.00 C ATOM 913 CG LEU A 59 -15.110 -0.640 -8.742 1.00 0.00 C ATOM 914 CD1 LEU A 59 -16.608 -0.489 -8.533 1.00 0.00 C ATOM 915 CD2 LEU A 59 -14.822 -1.217 -10.118 1.00 0.00 C ATOM 0 H LEU A 59 -12.977 1.341 -10.506 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.697 1.657 -9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.316 0.526 -8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.605 1.036 -7.501 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.720 -1.342 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -17.097 -1.449 -8.696 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -16.801 -0.152 -7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.002 0.243 -9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.349 -2.164 -10.233 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.160 -0.519 -10.883 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.750 -1.383 -10.226 1.00 0.00 H new ATOM 927 N ALA A 60 -13.705 3.865 -8.582 1.00 0.00 N ATOM 928 CA ALA A 60 -13.650 5.146 -7.872 1.00 0.00 C ATOM 929 C ALA A 60 -14.514 6.194 -8.566 1.00 0.00 C ATOM 930 O ALA A 60 -14.961 7.171 -7.955 1.00 0.00 O ATOM 931 CB ALA A 60 -12.218 5.635 -7.796 1.00 0.00 C ATOM 0 H ALA A 60 -12.810 3.568 -8.972 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.037 4.992 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.186 6.587 -7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.611 4.903 -7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.825 5.767 -8.804 1.00 0.00 H new ATOM 937 N LEU A 61 -14.751 5.981 -9.834 1.00 0.00 N ATOM 938 CA LEU A 61 -15.542 6.876 -10.628 1.00 0.00 C ATOM 939 C LEU A 61 -17.032 6.555 -10.500 1.00 0.00 C ATOM 940 O LEU A 61 -17.884 7.363 -10.866 1.00 0.00 O ATOM 941 CB LEU A 61 -15.093 6.802 -12.085 1.00 0.00 C ATOM 942 CG LEU A 61 -13.643 7.215 -12.370 1.00 0.00 C ATOM 943 CD1 LEU A 61 -13.320 7.032 -13.842 1.00 0.00 C ATOM 944 CD2 LEU A 61 -13.393 8.660 -11.947 1.00 0.00 C ATOM 0 H LEU A 61 -14.396 5.174 -10.346 1.00 0.00 H new ATOM 0 HA LEU A 61 -15.394 7.892 -10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -15.233 5.779 -12.435 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.752 7.435 -12.679 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.986 6.571 -11.785 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.288 7.329 -14.028 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.451 5.985 -14.116 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.989 7.650 -14.441 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.358 8.928 -12.160 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.060 9.322 -12.500 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -13.582 8.764 -10.879 1.00 0.00 H new ATOM 956 N VAL A 62 -17.358 5.393 -9.964 1.00 0.00 N ATOM 957 CA VAL A 62 -18.753 5.023 -9.818 1.00 0.00 C ATOM 958 C VAL A 62 -19.189 4.927 -8.353 1.00 0.00 C ATOM 959 O VAL A 62 -20.186 5.529 -7.967 1.00 0.00 O ATOM 960 CB VAL A 62 -19.167 3.746 -10.638 1.00 0.00 C ATOM 961 CG1 VAL A 62 -19.022 4.002 -12.132 1.00 0.00 C ATOM 962 CG2 VAL A 62 -18.352 2.525 -10.248 1.00 0.00 C ATOM 0 H VAL A 62 -16.689 4.700 -9.628 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.305 5.850 -10.265 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.211 3.541 -10.401 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.313 3.108 -12.684 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.665 4.833 -12.423 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -17.985 4.248 -12.360 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.674 1.668 -10.841 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.295 2.718 -10.433 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.501 2.311 -9.190 1.00 0.00 H new ATOM 972 N LYS A 63 -18.431 4.219 -7.529 1.00 0.00 N ATOM 973 CA LYS A 63 -18.770 4.051 -6.122 1.00 0.00 C ATOM 974 C LYS A 63 -17.498 4.144 -5.285 1.00 0.00 C ATOM 975 O LYS A 63 -16.828 3.119 -5.031 1.00 0.00 O ATOM 976 CB LYS A 63 -19.467 2.694 -5.851 1.00 0.00 C ATOM 977 CG LYS A 63 -20.687 2.426 -6.730 1.00 0.00 C ATOM 978 CD LYS A 63 -21.390 1.120 -6.379 1.00 0.00 C ATOM 979 CE LYS A 63 -22.156 1.198 -5.058 1.00 0.00 C ATOM 980 NZ LYS A 63 -23.256 2.183 -5.111 1.00 0.00 N ATOM 0 H LYS A 63 -17.571 3.748 -7.812 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.468 4.842 -5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -18.744 1.892 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -19.773 2.659 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.391 3.252 -6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.378 2.398 -7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -22.081 0.858 -7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -20.652 0.320 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -22.561 0.215 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -21.468 1.466 -4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -23.917 2.008 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -22.866 3.144 -5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -23.760 2.092 -6.016 1.00 0.00 H new ATOM 994 N PRO A 64 -17.119 5.362 -4.868 1.00 0.00 N ATOM 995 CA PRO A 64 -15.887 5.590 -4.103 1.00 0.00 C ATOM 996 C PRO A 64 -15.922 4.876 -2.764 1.00 0.00 C ATOM 997 O PRO A 64 -14.907 4.352 -2.310 1.00 0.00 O ATOM 998 CB PRO A 64 -15.846 7.112 -3.903 1.00 0.00 C ATOM 999 CG PRO A 64 -16.782 7.662 -4.924 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.849 6.624 -5.106 1.00 0.00 C ATOM 0 HA PRO A 64 -15.008 5.206 -4.620 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.157 7.386 -2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.837 7.501 -4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.210 8.608 -4.592 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.264 7.858 -5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.668 6.757 -4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -18.282 6.659 -6.106 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.103 4.832 -2.169 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.335 4.170 -0.888 1.00 0.00 C ATOM 1010 C GLU A 65 -16.853 2.728 -0.930 1.00 0.00 C ATOM 1011 O GLU A 65 -16.082 2.291 -0.072 1.00 0.00 O ATOM 1012 CB GLU A 65 -18.834 4.177 -0.506 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.474 5.553 -0.310 1.00 0.00 C ATOM 1014 CD GLU A 65 -19.578 6.363 -1.574 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -20.503 6.108 -2.380 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -18.722 7.239 -1.798 1.00 0.00 O ATOM 0 H GLU A 65 -17.941 5.259 -2.564 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.773 4.728 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.388 3.649 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -18.955 3.608 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -20.472 5.422 0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -18.892 6.113 0.422 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.255 2.012 -1.967 1.00 0.00 N ATOM 1024 CA LYS A 66 -16.916 0.608 -2.075 1.00 0.00 C ATOM 1025 C LYS A 66 -15.460 0.441 -2.495 1.00 0.00 C ATOM 1026 O LYS A 66 -14.820 -0.539 -2.133 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.858 -0.146 -3.027 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.355 0.125 -2.805 1.00 0.00 C ATOM 1029 CD LYS A 66 -19.821 -0.041 -1.344 1.00 0.00 C ATOM 1030 CE LYS A 66 -19.639 -1.453 -0.786 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.181 -1.569 0.596 1.00 0.00 N ATOM 0 H LYS A 66 -17.812 2.379 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.046 0.164 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.604 0.120 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.678 -1.216 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.581 1.140 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.932 -0.550 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.270 0.660 -0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.874 0.231 -1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.141 -2.169 -1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.580 -1.711 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.936 -2.501 0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.770 -0.824 1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.215 -1.464 0.573 1.00 0.00 H new ATOM 1045 N THR A 67 -14.946 1.415 -3.249 1.00 0.00 N ATOM 1046 CA THR A 67 -13.539 1.428 -3.649 1.00 0.00 C ATOM 1047 C THR A 67 -12.676 1.483 -2.391 1.00 0.00 C ATOM 1048 O THR A 67 -11.800 0.655 -2.179 1.00 0.00 O ATOM 1049 CB THR A 67 -13.229 2.678 -4.492 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.147 2.766 -5.594 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.807 2.637 -5.038 1.00 0.00 C ATOM 0 H THR A 67 -15.486 2.208 -3.596 1.00 0.00 H new ATOM 0 HA THR A 67 -13.331 0.533 -4.235 1.00 0.00 H new ATOM 0 HB THR A 67 -13.333 3.549 -3.845 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.031 3.030 -5.263 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.618 3.533 -5.629 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.100 2.593 -4.209 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.684 1.755 -5.667 1.00 0.00 H new ATOM 1059 N LYS A 68 -12.999 2.440 -1.538 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.318 2.648 -0.280 1.00 0.00 C ATOM 1061 C LYS A 68 -12.450 1.421 0.608 1.00 0.00 C ATOM 1062 O LYS A 68 -11.511 1.050 1.288 1.00 0.00 O ATOM 1063 CB LYS A 68 -12.885 3.897 0.402 1.00 0.00 C ATOM 1064 CG LYS A 68 -12.537 5.194 -0.327 1.00 0.00 C ATOM 1065 CD LYS A 68 -13.443 6.360 0.072 1.00 0.00 C ATOM 1066 CE LYS A 68 -13.433 6.643 1.564 1.00 0.00 C ATOM 1067 NZ LYS A 68 -14.298 7.793 1.904 1.00 0.00 N ATOM 0 H LYS A 68 -13.755 3.103 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.255 2.803 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.969 3.806 0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.506 3.949 1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.500 5.457 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.613 5.033 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.128 7.256 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.464 6.143 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.772 5.759 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.413 6.845 1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.268 7.959 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.959 8.641 1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.276 7.589 1.615 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.610 0.774 0.546 1.00 0.00 N ATOM 1082 CA ALA A 69 -13.876 -0.425 1.328 1.00 0.00 C ATOM 1083 C ALA A 69 -12.977 -1.586 0.901 1.00 0.00 C ATOM 1084 O ALA A 69 -12.346 -2.226 1.745 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.340 -0.820 1.233 1.00 0.00 C ATOM 0 H ALA A 69 -14.388 1.066 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.648 -0.193 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.514 -1.718 1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.961 -0.009 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.597 -1.017 0.192 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.892 -1.847 -0.406 1.00 0.00 N ATOM 1092 CA VAL A 70 -12.044 -2.935 -0.879 1.00 0.00 C ATOM 1093 C VAL A 70 -10.569 -2.605 -0.671 1.00 0.00 C ATOM 1094 O VAL A 70 -9.791 -3.475 -0.294 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.306 -3.382 -2.354 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.723 -3.860 -2.540 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -12.002 -2.290 -3.339 1.00 0.00 C ATOM 0 H VAL A 70 -13.387 -1.334 -1.135 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.320 -3.793 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.626 -4.211 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.872 -4.163 -3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.910 -4.709 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.414 -3.053 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.199 -2.647 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.632 -1.426 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.954 -2.004 -3.253 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.194 -1.334 -0.873 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.828 -0.905 -0.634 1.00 0.00 C ATOM 1109 C GLU A 71 -8.464 -1.135 0.825 1.00 0.00 C ATOM 1110 O GLU A 71 -7.425 -1.715 1.124 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.606 0.566 -1.031 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.666 0.830 -2.521 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.247 2.235 -2.881 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -8.672 3.193 -2.197 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -7.442 2.401 -3.845 1.00 0.00 O ATOM 0 H GLU A 71 -10.820 -0.597 -1.199 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.172 -1.504 -1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.358 1.180 -0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.634 0.888 -0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.021 0.119 -3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.682 0.656 -2.876 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.368 -0.734 1.714 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.226 -0.893 3.154 1.00 0.00 C ATOM 1124 C ASN A 72 -9.052 -2.382 3.494 1.00 0.00 C ATOM 1125 O ASN A 72 -8.231 -2.762 4.350 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.503 -0.353 3.810 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.413 -0.111 5.294 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -9.663 -0.758 6.016 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -11.182 0.824 5.759 1.00 0.00 N ATOM 0 H ASN A 72 -10.240 -0.279 1.444 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.353 -0.351 3.518 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.774 0.583 3.322 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.314 -1.057 3.622 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.175 1.041 6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.794 1.342 5.128 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.812 -3.218 2.807 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.750 -4.651 2.989 1.00 0.00 C ATOM 1138 C TYR A 73 -8.389 -5.207 2.557 1.00 0.00 C ATOM 1139 O TYR A 73 -7.771 -5.962 3.302 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.896 -5.353 2.247 1.00 0.00 C ATOM 1141 CG TYR A 73 -10.899 -6.859 2.409 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -11.213 -7.440 3.628 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.589 -7.695 1.346 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -11.217 -8.809 3.783 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -10.592 -9.065 1.491 1.00 0.00 C ATOM 1146 CZ TYR A 73 -10.902 -9.616 2.712 1.00 0.00 C ATOM 1147 OH TYR A 73 -10.911 -10.979 2.863 1.00 0.00 O ATOM 0 H TYR A 73 -10.490 -2.917 2.107 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.868 -4.855 4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.846 -4.957 2.607 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.831 -5.111 1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -11.458 -6.809 4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.341 -7.264 0.387 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.466 -9.247 4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.353 -9.701 0.652 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.668 -11.404 2.014 1.00 0.00 H new ATOM 1157 N LEU A 74 -7.918 -4.816 1.378 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.611 -5.278 0.887 1.00 0.00 C ATOM 1159 C LEU A 74 -5.470 -4.824 1.785 1.00 0.00 C ATOM 1160 O LEU A 74 -4.541 -5.584 2.020 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.335 -4.893 -0.585 1.00 0.00 C ATOM 1162 CG LEU A 74 -6.906 -5.812 -1.699 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.343 -7.224 -1.594 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.423 -5.848 -1.695 1.00 0.00 C ATOM 0 H LEU A 74 -8.411 -4.186 0.745 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.661 -6.366 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.728 -3.889 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.255 -4.838 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.590 -5.380 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.762 -7.843 -2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.258 -7.191 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.606 -7.649 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.773 -6.504 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.775 -6.224 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.811 -4.842 -1.856 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.567 -3.599 2.303 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.569 -3.051 3.239 1.00 0.00 C ATOM 1178 C ILE A 75 -4.431 -3.966 4.468 1.00 0.00 C ATOM 1179 O ILE A 75 -3.320 -4.235 4.945 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.964 -1.607 3.697 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -4.966 -0.649 2.501 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -4.034 -1.088 4.794 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.469 0.737 2.824 1.00 0.00 C ATOM 0 H ILE A 75 -6.332 -2.958 2.091 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.612 -3.001 2.719 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.970 -1.656 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.952 -0.574 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.584 -1.073 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.340 -0.083 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.088 -1.749 5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.010 -1.061 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.439 1.354 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.495 0.676 3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.837 1.184 3.592 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.561 -4.452 4.943 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.607 -5.335 6.089 1.00 0.00 C ATOM 1197 C GLN A 76 -5.145 -6.742 5.694 1.00 0.00 C ATOM 1198 O GLN A 76 -4.216 -7.281 6.277 1.00 0.00 O ATOM 1199 CB GLN A 76 -7.053 -5.381 6.621 1.00 0.00 C ATOM 1200 CG GLN A 76 -7.293 -6.244 7.862 1.00 0.00 C ATOM 1201 CD GLN A 76 -6.563 -5.747 9.098 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -6.319 -4.546 9.256 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -6.234 -6.652 9.992 1.00 0.00 N ATOM 0 H GLN A 76 -6.476 -4.244 4.543 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.940 -4.962 6.866 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.367 -4.362 6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.700 -5.744 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.362 -6.277 8.070 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.978 -7.266 7.650 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.452 -7.635 9.827 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.761 -6.372 10.851 1.00 0.00 H new ATOM 1212 N MET A 77 -5.747 -7.277 4.640 1.00 0.00 N ATOM 1213 CA MET A 77 -5.506 -8.652 4.193 1.00 0.00 C ATOM 1214 C MET A 77 -4.057 -8.886 3.742 1.00 0.00 C ATOM 1215 O MET A 77 -3.514 -9.988 3.911 1.00 0.00 O ATOM 1216 CB MET A 77 -6.524 -9.068 3.115 1.00 0.00 C ATOM 1217 CG MET A 77 -6.381 -10.510 2.618 1.00 0.00 C ATOM 1218 SD MET A 77 -6.468 -11.748 3.939 1.00 0.00 S ATOM 1219 CE MET A 77 -8.124 -11.486 4.576 1.00 0.00 C ATOM 0 H MET A 77 -6.420 -6.771 4.065 1.00 0.00 H new ATOM 0 HA MET A 77 -5.654 -9.299 5.058 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.529 -8.934 3.514 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.427 -8.394 2.264 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.166 -10.713 1.889 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.429 -10.613 2.098 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.065 -11.091 5.590 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.650 -10.774 3.940 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.664 -12.433 4.586 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.424 -7.856 3.184 1.00 0.00 N ATOM 1230 CA ALA A 78 -2.023 -7.944 2.760 1.00 0.00 C ATOM 1231 C ALA A 78 -1.127 -8.381 3.920 1.00 0.00 C ATOM 1232 O ALA A 78 -0.234 -9.228 3.750 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.539 -6.614 2.194 1.00 0.00 C ATOM 0 H ALA A 78 -3.857 -6.948 3.014 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.962 -8.696 1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.497 -6.707 1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.148 -6.342 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.625 -5.841 2.957 1.00 0.00 H new ATOM 1353 N LYS A 86 -1.101 -11.862 -7.040 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.819 -10.745 -7.533 1.00 0.00 C ATOM 1355 C LYS A 86 -3.293 -11.024 -7.533 1.00 0.00 C ATOM 1356 O LYS A 86 -3.731 -12.135 -7.850 1.00 0.00 O ATOM 1357 CB LYS A 86 -1.372 -10.420 -8.945 1.00 0.00 C ATOM 1358 CG LYS A 86 0.035 -9.881 -9.068 1.00 0.00 C ATOM 1359 CD LYS A 86 0.188 -8.531 -8.388 1.00 0.00 C ATOM 1360 CE LYS A 86 1.605 -7.997 -8.531 1.00 0.00 C ATOM 1361 NZ LYS A 86 2.593 -8.841 -7.828 1.00 0.00 N ATOM 0 HA LYS A 86 -1.617 -9.895 -6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.452 -11.323 -9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.062 -9.690 -9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.735 -10.591 -8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.297 -9.788 -10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.516 -7.821 -8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.063 -8.623 -7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.865 -7.940 -9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.651 -6.982 -8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.508 -8.348 -7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.263 -9.029 -6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.705 -9.741 -8.336 1.00 0.00 H new ATOM 1375 N VAL A 87 -4.044 -10.057 -7.140 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.468 -10.124 -7.229 1.00 0.00 C ATOM 1377 C VAL A 87 -5.848 -9.474 -8.538 1.00 0.00 C ATOM 1378 O VAL A 87 -5.528 -8.300 -8.764 1.00 0.00 O ATOM 1379 CB VAL A 87 -6.156 -9.384 -6.052 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.672 -9.483 -6.151 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.679 -9.935 -4.719 1.00 0.00 C ATOM 0 H VAL A 87 -3.689 -9.187 -6.743 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.796 -11.162 -7.179 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.879 -8.332 -6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.127 -8.955 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.006 -9.034 -7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.971 -10.531 -6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.174 -9.402 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.920 -10.996 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.600 -9.803 -4.636 1.00 0.00 H new ATOM 1391 N SER A 88 -6.435 -10.235 -9.413 1.00 0.00 N ATOM 1392 CA SER A 88 -6.842 -9.739 -10.688 1.00 0.00 C ATOM 1393 C SER A 88 -8.283 -9.197 -10.599 1.00 0.00 C ATOM 1394 O SER A 88 -8.859 -9.140 -9.497 1.00 0.00 O ATOM 1395 CB SER A 88 -6.693 -10.847 -11.731 1.00 0.00 C ATOM 1396 OG SER A 88 -5.360 -11.379 -11.710 1.00 0.00 O ATOM 0 H SER A 88 -6.645 -11.221 -9.259 1.00 0.00 H new ATOM 0 HA SER A 88 -6.207 -8.909 -10.998 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.412 -11.642 -11.531 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.919 -10.455 -12.722 1.00 0.00 H new ATOM 0 HG SER A 88 -5.280 -12.088 -12.382 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.861 -8.812 -11.732 1.00 0.00 N ATOM 1403 CA GLU A 89 -10.167 -8.162 -11.772 1.00 0.00 C ATOM 1404 C GLU A 89 -11.252 -9.028 -11.166 1.00 0.00 C ATOM 1405 O GLU A 89 -12.056 -8.543 -10.394 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.557 -7.805 -13.196 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.525 -6.998 -13.947 1.00 0.00 C ATOM 1408 CD GLU A 89 -10.009 -6.604 -15.312 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -10.193 -7.491 -16.179 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -10.212 -5.409 -15.556 1.00 0.00 O ATOM 0 H GLU A 89 -8.437 -8.942 -12.650 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.076 -7.252 -11.179 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.751 -8.725 -13.747 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.491 -7.244 -13.173 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.279 -6.102 -13.376 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.607 -7.579 -14.041 1.00 0.00 H new ATOM 1417 N GLN A 90 -11.249 -10.308 -11.501 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.260 -11.235 -11.019 1.00 0.00 C ATOM 1419 C GLN A 90 -12.223 -11.332 -9.500 1.00 0.00 C ATOM 1420 O GLN A 90 -13.261 -11.239 -8.852 1.00 0.00 O ATOM 1421 CB GLN A 90 -12.109 -12.603 -11.690 1.00 0.00 C ATOM 1422 CG GLN A 90 -13.144 -13.639 -11.259 1.00 0.00 C ATOM 1423 CD GLN A 90 -13.106 -14.909 -12.099 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -14.123 -15.587 -12.267 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -11.957 -15.249 -12.625 1.00 0.00 N ATOM 0 H GLN A 90 -10.550 -10.732 -12.111 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.243 -10.851 -11.293 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.173 -12.472 -12.770 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.114 -12.991 -11.474 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.977 -13.897 -10.213 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -14.139 -13.198 -11.323 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.133 -14.669 -12.469 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -11.886 -16.094 -13.191 1.00 0.00 H new ATOM 1434 N GLY A 91 -11.025 -11.451 -8.944 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.867 -11.495 -7.504 1.00 0.00 C ATOM 1436 C GLY A 91 -11.312 -10.199 -6.864 1.00 0.00 C ATOM 1437 O GLY A 91 -11.939 -10.202 -5.805 1.00 0.00 O ATOM 0 H GLY A 91 -10.153 -11.518 -9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.448 -12.323 -7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.823 -11.686 -7.256 1.00 0.00 H new ATOM 1441 N LEU A 92 -11.007 -9.088 -7.527 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.424 -7.777 -7.056 1.00 0.00 C ATOM 1443 C LEU A 92 -12.949 -7.689 -7.023 1.00 0.00 C ATOM 1444 O LEU A 92 -13.524 -7.215 -6.054 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.866 -6.670 -7.952 1.00 0.00 C ATOM 1446 CG LEU A 92 -11.231 -5.240 -7.542 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.565 -4.855 -6.226 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.883 -4.261 -8.642 1.00 0.00 C ATOM 0 H LEU A 92 -10.471 -9.072 -8.395 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.031 -7.641 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.780 -6.757 -7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.219 -6.838 -8.970 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.309 -5.200 -7.386 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.844 -3.835 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.892 -5.535 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.482 -4.919 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.151 -3.252 -8.329 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.813 -4.306 -8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.434 -4.519 -9.546 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.589 -8.172 -8.079 1.00 0.00 N ATOM 1461 CA ILE A 93 -15.045 -8.175 -8.185 1.00 0.00 C ATOM 1462 C ILE A 93 -15.655 -9.077 -7.098 1.00 0.00 C ATOM 1463 O ILE A 93 -16.715 -8.769 -6.539 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.506 -8.604 -9.615 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.959 -7.602 -10.651 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -17.038 -8.675 -9.701 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -15.145 -8.019 -12.098 1.00 0.00 C ATOM 0 H ILE A 93 -13.115 -8.573 -8.888 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.407 -7.159 -8.024 1.00 0.00 H new ATOM 0 HB ILE A 93 -15.113 -9.598 -9.827 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.448 -6.640 -10.499 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.896 -7.452 -10.464 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -17.332 -8.976 -10.706 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -17.409 -9.404 -8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.461 -7.696 -9.477 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.730 -7.253 -12.754 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.631 -8.964 -12.273 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -16.208 -8.140 -12.308 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.960 -10.162 -6.774 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.374 -11.046 -5.689 1.00 0.00 C ATOM 1481 C GLU A 94 -15.360 -10.282 -4.370 1.00 0.00 C ATOM 1482 O GLU A 94 -16.349 -10.274 -3.629 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.451 -12.263 -5.591 1.00 0.00 C ATOM 1484 CG GLU A 94 -14.542 -13.218 -6.765 1.00 0.00 C ATOM 1485 CD GLU A 94 -15.899 -13.843 -6.868 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -16.202 -14.754 -6.064 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -16.696 -13.437 -7.730 1.00 0.00 O ATOM 0 H GLU A 94 -14.105 -10.452 -7.249 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.384 -11.398 -5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.422 -11.916 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -14.685 -12.808 -4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.317 -12.683 -7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.789 -13.999 -6.658 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.252 -9.608 -4.110 1.00 0.00 N ATOM 1495 CA ILE A 95 -14.082 -8.811 -2.901 1.00 0.00 C ATOM 1496 C ILE A 95 -15.089 -7.649 -2.878 1.00 0.00 C ATOM 1497 O ILE A 95 -15.665 -7.332 -1.837 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.620 -8.280 -2.776 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.640 -9.467 -2.708 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.466 -7.387 -1.549 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -10.174 -9.074 -2.680 1.00 0.00 C ATOM 0 H ILE A 95 -13.443 -9.596 -4.731 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.276 -9.454 -2.042 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.391 -7.679 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.862 -10.054 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.813 -10.114 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.438 -7.030 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.141 -6.535 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.709 -7.956 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.558 -9.972 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.930 -8.514 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.980 -8.454 -1.805 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.324 -7.065 -4.040 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.285 -5.986 -4.211 1.00 0.00 C ATOM 1515 C LEU A 96 -17.685 -6.440 -3.777 1.00 0.00 C ATOM 1516 O LEU A 96 -18.411 -5.702 -3.107 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.298 -5.526 -5.676 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.207 -4.345 -6.025 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.773 -3.082 -5.289 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.208 -4.116 -7.526 1.00 0.00 C ATOM 0 H LEU A 96 -14.848 -7.329 -4.903 1.00 0.00 H new ATOM 0 HA LEU A 96 -15.989 -5.147 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.278 -5.264 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.592 -6.374 -6.295 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.221 -4.585 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.436 -2.259 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.821 -3.253 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.751 -2.830 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.857 -3.274 -7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.194 -3.899 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.573 -5.011 -8.030 1.00 0.00 H new ATOM 1532 N LYS A 97 -18.049 -7.656 -4.140 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.323 -8.214 -3.722 1.00 0.00 C ATOM 1534 C LYS A 97 -19.325 -8.476 -2.218 1.00 0.00 C ATOM 1535 O LYS A 97 -20.299 -8.166 -1.531 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.658 -9.493 -4.496 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.951 -9.264 -5.977 1.00 0.00 C ATOM 1538 CD LYS A 97 -20.229 -10.572 -6.716 1.00 0.00 C ATOM 1539 CE LYS A 97 -18.997 -11.463 -6.751 1.00 0.00 C ATOM 1540 NZ LYS A 97 -19.237 -12.735 -7.459 1.00 0.00 N ATOM 0 H LYS A 97 -17.483 -8.275 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 97 -20.097 -7.481 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.825 -10.190 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.523 -9.969 -4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.810 -8.601 -6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.103 -8.759 -6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -21.048 -11.100 -6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.552 -10.355 -7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.181 -10.929 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.677 -11.674 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.335 -13.236 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.885 -13.327 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.661 -12.540 -8.388 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.216 -8.994 -1.713 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.048 -9.284 -0.290 1.00 0.00 C ATOM 1556 C LYS A 98 -18.173 -8.022 0.578 1.00 0.00 C ATOM 1557 O LYS A 98 -18.827 -8.048 1.624 1.00 0.00 O ATOM 1558 CB LYS A 98 -16.721 -10.030 -0.045 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.708 -11.450 -0.630 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.303 -12.071 -0.671 1.00 0.00 C ATOM 1561 CE LYS A 98 -14.673 -12.281 0.709 1.00 0.00 C ATOM 1562 NZ LYS A 98 -15.345 -13.340 1.526 1.00 0.00 N ATOM 0 H LYS A 98 -17.400 -9.228 -2.279 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.862 -9.941 0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.903 -9.457 -0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.535 -10.084 1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.363 -12.087 -0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.117 -11.424 -1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.356 -13.031 -1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.651 -11.429 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.623 -12.545 0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.701 -11.340 1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.865 -13.426 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.341 -13.081 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.296 -14.249 1.024 1.00 0.00 H new ATOM 1576 N VAL A 99 -17.607 -6.911 0.129 1.00 0.00 N ATOM 1577 CA VAL A 99 -17.701 -5.661 0.896 1.00 0.00 C ATOM 1578 C VAL A 99 -19.084 -5.015 0.745 1.00 0.00 C ATOM 1579 O VAL A 99 -19.471 -4.152 1.525 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.596 -4.625 0.538 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.206 -5.215 0.721 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.776 -4.072 -0.865 1.00 0.00 C ATOM 0 H VAL A 99 -17.086 -6.841 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 99 -17.545 -5.950 1.935 1.00 0.00 H new ATOM 0 HB VAL A 99 -16.699 -3.791 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.456 -4.467 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.073 -5.518 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.091 -6.083 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.985 -3.352 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.727 -4.888 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.745 -3.579 -0.940 1.00 0.00 H new ATOM 1592 N SER A 100 -19.815 -5.410 -0.276 1.00 0.00 N ATOM 1593 CA SER A 100 -21.152 -4.923 -0.467 1.00 0.00 C ATOM 1594 C SER A 100 -22.114 -5.669 0.463 1.00 0.00 C ATOM 1595 O SER A 100 -23.173 -5.156 0.832 1.00 0.00 O ATOM 1596 CB SER A 100 -21.550 -5.062 -1.929 1.00 0.00 C ATOM 1597 OG SER A 100 -20.668 -4.303 -2.765 1.00 0.00 O ATOM 0 H SER A 100 -19.498 -6.070 -0.986 1.00 0.00 H new ATOM 0 HA SER A 100 -21.200 -3.864 -0.212 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.523 -6.112 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.575 -4.719 -2.067 1.00 0.00 H new ATOM 0 HG SER A 100 -19.932 -4.875 -3.069 1.00 0.00 H new