USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 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 Single : A 12 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.345 X(o=0.34,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0286) USER MOD Single : A 66 LYS NZ :NH3+ -163:sc= 1.01 (180deg=0.985) USER MOD Single : A 67 THR OG1 : rot -93:sc= -2.06 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.31 K(o=-1.3,f=-5.9!) USER MOD Single : A 77 MET CE :methyl -138:sc= -0.059 (180deg=-0.777) USER MOD Single : A 86 LYS NZ :NH3+ -125:sc= 0.696 (180deg=-0.298) USER MOD Single : A 88 SER OG : rot 180:sc= 0.117 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= -0.0563 (180deg=-0.415) USER MOD Single : A 98 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00921) USER MOD Single : A 100 SER OG : rot 66:sc= 0.551 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 12.961 38.503 18.620 1.00 0.00 N ATOM 22 CA ALA A 2 12.553 38.494 17.209 1.00 0.00 C ATOM 23 C ALA A 2 11.898 37.189 16.793 1.00 0.00 C ATOM 24 O ALA A 2 10.805 37.185 16.210 1.00 0.00 O ATOM 25 CB ALA A 2 13.755 38.766 16.323 1.00 0.00 C ATOM 0 HA ALA A 2 11.808 39.281 17.089 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.446 38.758 15.278 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.176 39.741 16.570 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.508 37.995 16.485 1.00 0.00 H new ATOM 31 N ASP A 3 12.545 36.100 17.130 1.00 0.00 N ATOM 32 CA ASP A 3 12.112 34.766 16.759 1.00 0.00 C ATOM 33 C ASP A 3 10.822 34.383 17.470 1.00 0.00 C ATOM 34 O ASP A 3 9.960 33.714 16.894 1.00 0.00 O ATOM 35 CB ASP A 3 13.229 33.742 17.050 1.00 0.00 C ATOM 36 CG ASP A 3 13.565 33.556 18.530 1.00 0.00 C ATOM 37 OD1 ASP A 3 13.666 34.558 19.276 1.00 0.00 O ATOM 38 OD2 ASP A 3 13.797 32.405 18.956 1.00 0.00 O ATOM 0 H ASP A 3 13.404 36.111 17.680 1.00 0.00 H new ATOM 0 HA ASP A 3 11.907 34.761 15.689 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.934 32.778 16.636 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.132 34.052 16.524 1.00 0.00 H new ATOM 43 N GLU A 4 10.687 34.852 18.690 1.00 0.00 N ATOM 44 CA GLU A 4 9.533 34.574 19.517 1.00 0.00 C ATOM 45 C GLU A 4 8.323 35.333 18.946 1.00 0.00 C ATOM 46 O GLU A 4 7.272 34.728 18.678 1.00 0.00 O ATOM 47 CB GLU A 4 9.860 34.997 20.966 1.00 0.00 C ATOM 48 CG GLU A 4 8.992 34.400 22.080 1.00 0.00 C ATOM 49 CD GLU A 4 7.556 34.842 22.059 1.00 0.00 C ATOM 50 OE1 GLU A 4 7.282 36.021 22.374 1.00 0.00 O ATOM 51 OE2 GLU A 4 6.680 34.027 21.743 1.00 0.00 O ATOM 0 H GLU A 4 11.384 35.444 19.142 1.00 0.00 H new ATOM 0 HA GLU A 4 9.286 33.512 19.522 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.898 34.735 21.169 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.788 36.083 21.026 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.025 33.313 22.005 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.426 34.667 23.043 1.00 0.00 H new ATOM 58 N GLU A 5 8.511 36.643 18.689 1.00 0.00 N ATOM 59 CA GLU A 5 7.449 37.503 18.136 1.00 0.00 C ATOM 60 C GLU A 5 6.950 36.935 16.830 1.00 0.00 C ATOM 61 O GLU A 5 5.738 36.845 16.594 1.00 0.00 O ATOM 62 CB GLU A 5 7.952 38.917 17.835 1.00 0.00 C ATOM 63 CG GLU A 5 8.611 39.651 18.976 1.00 0.00 C ATOM 64 CD GLU A 5 7.768 39.765 20.206 1.00 0.00 C ATOM 65 OE1 GLU A 5 6.562 40.018 20.106 1.00 0.00 O ATOM 66 OE2 GLU A 5 8.328 39.679 21.310 1.00 0.00 O ATOM 0 H GLU A 5 9.392 37.129 18.857 1.00 0.00 H new ATOM 0 HA GLU A 5 6.662 37.542 18.889 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.663 38.859 17.010 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.108 39.513 17.487 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.539 39.141 19.232 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.880 40.653 18.641 1.00 0.00 H new ATOM 73 N LEU A 6 7.907 36.540 15.986 1.00 0.00 N ATOM 74 CA LEU A 6 7.629 35.999 14.675 1.00 0.00 C ATOM 75 C LEU A 6 6.689 34.823 14.788 1.00 0.00 C ATOM 76 O LEU A 6 5.625 34.822 14.180 1.00 0.00 O ATOM 77 CB LEU A 6 8.961 35.622 13.954 1.00 0.00 C ATOM 78 CG LEU A 6 8.902 35.105 12.482 1.00 0.00 C ATOM 79 CD1 LEU A 6 8.406 33.664 12.384 1.00 0.00 C ATOM 80 CD2 LEU A 6 8.034 36.017 11.626 1.00 0.00 C ATOM 0 H LEU A 6 8.902 36.592 16.206 1.00 0.00 H new ATOM 0 HA LEU A 6 7.134 36.755 14.066 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.604 36.502 13.969 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.455 34.856 14.553 1.00 0.00 H new ATOM 0 HG LEU A 6 9.924 35.121 12.105 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.385 33.357 11.338 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.077 33.010 12.941 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.402 33.596 12.802 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.006 35.639 10.604 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.022 36.042 12.031 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.451 37.024 11.629 1.00 0.00 H new ATOM 92 N GLU A 7 7.054 33.852 15.604 1.00 0.00 N ATOM 93 CA GLU A 7 6.252 32.664 15.749 1.00 0.00 C ATOM 94 C GLU A 7 4.912 32.963 16.375 1.00 0.00 C ATOM 95 O GLU A 7 3.913 32.428 15.940 1.00 0.00 O ATOM 96 CB GLU A 7 6.975 31.581 16.517 1.00 0.00 C ATOM 97 CG GLU A 7 8.225 31.092 15.835 1.00 0.00 C ATOM 98 CD GLU A 7 8.842 29.944 16.563 1.00 0.00 C ATOM 99 OE1 GLU A 7 9.557 30.172 17.549 1.00 0.00 O ATOM 100 OE2 GLU A 7 8.596 28.781 16.163 1.00 0.00 O ATOM 0 H GLU A 7 7.900 33.868 16.173 1.00 0.00 H new ATOM 0 HA GLU A 7 6.072 32.289 14.742 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.235 31.960 17.506 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.299 30.739 16.666 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.988 30.790 14.815 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.945 31.908 15.767 1.00 0.00 H new ATOM 107 N ALA A 8 4.888 33.854 17.348 1.00 0.00 N ATOM 108 CA ALA A 8 3.650 34.207 18.034 1.00 0.00 C ATOM 109 C ALA A 8 2.626 34.762 17.044 1.00 0.00 C ATOM 110 O ALA A 8 1.465 34.348 17.035 1.00 0.00 O ATOM 111 CB ALA A 8 3.919 35.205 19.150 1.00 0.00 C ATOM 0 H ALA A 8 5.713 34.351 17.685 1.00 0.00 H new ATOM 0 HA ALA A 8 3.236 33.303 18.481 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.982 35.455 19.648 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.609 34.767 19.872 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.359 36.110 18.731 1.00 0.00 H new ATOM 117 N LEU A 9 3.075 35.651 16.186 1.00 0.00 N ATOM 118 CA LEU A 9 2.227 36.241 15.187 1.00 0.00 C ATOM 119 C LEU A 9 1.909 35.236 14.069 1.00 0.00 C ATOM 120 O LEU A 9 0.741 35.025 13.709 1.00 0.00 O ATOM 121 CB LEU A 9 2.906 37.488 14.614 1.00 0.00 C ATOM 122 CG LEU A 9 3.195 38.616 15.618 1.00 0.00 C ATOM 123 CD1 LEU A 9 3.938 39.755 14.946 1.00 0.00 C ATOM 124 CD2 LEU A 9 1.905 39.123 16.247 1.00 0.00 C ATOM 0 H LEU A 9 4.040 35.982 16.165 1.00 0.00 H new ATOM 0 HA LEU A 9 1.283 36.527 15.651 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.847 37.187 14.154 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.277 37.888 13.819 1.00 0.00 H new ATOM 0 HG LEU A 9 3.827 38.210 16.408 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.132 40.542 15.674 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.884 39.388 14.548 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.332 40.155 14.133 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.134 39.921 16.954 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.246 39.507 15.468 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.410 38.305 16.771 1.00 0.00 H new ATOM 136 N ARG A 10 2.944 34.584 13.570 1.00 0.00 N ATOM 137 CA ARG A 10 2.829 33.667 12.439 1.00 0.00 C ATOM 138 C ARG A 10 1.950 32.453 12.747 1.00 0.00 C ATOM 139 O ARG A 10 1.154 32.053 11.915 1.00 0.00 O ATOM 140 CB ARG A 10 4.214 33.226 11.964 1.00 0.00 C ATOM 141 CG ARG A 10 4.219 32.368 10.713 1.00 0.00 C ATOM 142 CD ARG A 10 5.634 32.021 10.314 1.00 0.00 C ATOM 143 NE ARG A 10 5.693 31.244 9.076 1.00 0.00 N ATOM 144 CZ ARG A 10 6.723 31.262 8.212 1.00 0.00 C ATOM 145 NH1 ARG A 10 7.814 31.979 8.482 1.00 0.00 N ATOM 146 NH2 ARG A 10 6.659 30.548 7.097 1.00 0.00 N ATOM 0 H ARG A 10 3.892 34.673 13.935 1.00 0.00 H new ATOM 0 HA ARG A 10 2.334 34.215 11.637 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.818 34.114 11.780 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.698 32.672 12.768 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.650 31.455 10.889 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.725 32.899 9.899 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.209 32.939 10.191 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.106 31.455 11.117 1.00 0.00 H new ATOM 0 HE ARG A 10 4.897 30.647 8.853 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.870 32.517 9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.593 31.990 7.824 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.830 29.988 6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.438 30.559 6.439 1.00 0.00 H new ATOM 160 N ARG A 11 2.067 31.897 13.946 1.00 0.00 N ATOM 161 CA ARG A 11 1.286 30.710 14.317 1.00 0.00 C ATOM 162 C ARG A 11 -0.215 31.009 14.358 1.00 0.00 C ATOM 163 O ARG A 11 -1.043 30.141 14.065 1.00 0.00 O ATOM 164 CB ARG A 11 1.795 30.076 15.630 1.00 0.00 C ATOM 165 CG ARG A 11 3.208 29.492 15.500 1.00 0.00 C ATOM 166 CD ARG A 11 3.761 28.976 16.827 1.00 0.00 C ATOM 167 NE ARG A 11 3.012 27.833 17.349 1.00 0.00 N ATOM 168 CZ ARG A 11 3.373 27.081 18.401 1.00 0.00 C ATOM 169 NH1 ARG A 11 4.501 27.319 19.048 1.00 0.00 N ATOM 170 NH2 ARG A 11 2.601 26.088 18.794 1.00 0.00 N ATOM 0 H ARG A 11 2.689 32.241 14.678 1.00 0.00 H new ATOM 0 HA ARG A 11 1.435 29.966 13.534 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.789 30.829 16.418 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.108 29.288 15.938 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.194 28.677 14.776 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.877 30.257 15.106 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.804 28.690 16.694 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.743 29.782 17.561 1.00 0.00 H new ATOM 0 HE ARG A 11 2.143 27.587 16.874 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.109 28.082 18.750 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.763 26.740 19.846 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.731 25.892 18.299 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.874 25.516 19.593 1.00 0.00 H new ATOM 184 N GLN A 12 -0.565 32.241 14.681 1.00 0.00 N ATOM 185 CA GLN A 12 -1.949 32.657 14.651 1.00 0.00 C ATOM 186 C GLN A 12 -2.388 32.842 13.207 1.00 0.00 C ATOM 187 O GLN A 12 -3.405 32.298 12.775 1.00 0.00 O ATOM 188 CB GLN A 12 -2.153 33.958 15.418 1.00 0.00 C ATOM 189 CG GLN A 12 -3.589 34.462 15.382 1.00 0.00 C ATOM 190 CD GLN A 12 -3.772 35.806 16.044 1.00 0.00 C ATOM 191 OE1 GLN A 12 -2.995 36.083 17.063 1.00 0.00 O flip ATOM 192 NE2 GLN A 12 -4.633 36.596 15.634 1.00 0.00 N flip ATOM 0 H GLN A 12 0.092 32.968 14.966 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.550 31.884 15.129 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.854 33.810 16.456 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.497 34.723 15.003 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.916 34.529 14.344 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.234 33.733 15.873 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.219 36.344 14.838 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.757 37.499 16.093 1.00 0.00 H new ATOM 201 N ARG A 13 -1.579 33.582 12.465 1.00 0.00 N ATOM 202 CA ARG A 13 -1.838 33.903 11.063 1.00 0.00 C ATOM 203 C ARG A 13 -1.958 32.613 10.217 1.00 0.00 C ATOM 204 O ARG A 13 -2.751 32.539 9.272 1.00 0.00 O ATOM 205 CB ARG A 13 -0.691 34.790 10.543 1.00 0.00 C ATOM 206 CG ARG A 13 -0.893 35.395 9.160 1.00 0.00 C ATOM 207 CD ARG A 13 -2.057 36.380 9.136 1.00 0.00 C ATOM 208 NE ARG A 13 -2.157 37.067 7.839 1.00 0.00 N ATOM 209 CZ ARG A 13 -2.980 38.095 7.567 1.00 0.00 C ATOM 210 NH1 ARG A 13 -3.886 38.492 8.463 1.00 0.00 N ATOM 211 NH2 ARG A 13 -2.918 38.698 6.386 1.00 0.00 N ATOM 0 H ARG A 13 -0.712 33.984 12.821 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.784 34.438 10.979 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.534 35.601 11.254 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.223 34.197 10.529 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.020 35.903 8.849 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.076 34.599 8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.987 35.850 9.341 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.928 37.116 9.930 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.554 36.737 7.086 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.958 38.015 9.362 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.507 39.273 8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.247 38.381 5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.542 39.478 6.178 1.00 0.00 H new ATOM 225 N LEU A 14 -1.179 31.609 10.580 1.00 0.00 N ATOM 226 CA LEU A 14 -1.185 30.319 9.907 1.00 0.00 C ATOM 227 C LEU A 14 -2.482 29.568 10.219 1.00 0.00 C ATOM 228 O LEU A 14 -3.062 28.947 9.335 1.00 0.00 O ATOM 229 CB LEU A 14 0.084 29.501 10.314 1.00 0.00 C ATOM 230 CG LEU A 14 0.411 28.174 9.558 1.00 0.00 C ATOM 231 CD1 LEU A 14 -0.529 27.027 9.923 1.00 0.00 C ATOM 232 CD2 LEU A 14 0.414 28.403 8.051 1.00 0.00 C ATOM 0 H LEU A 14 -0.519 31.665 11.356 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.148 30.467 8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.946 30.159 10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.006 29.261 11.373 1.00 0.00 H new ATOM 0 HG LEU A 14 1.408 27.873 9.880 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.248 26.134 9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.457 26.823 10.991 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.554 27.303 9.675 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.644 27.467 7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.567 28.757 7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.168 29.149 7.798 1.00 0.00 H new ATOM 656 N ILE A 43 1.799 -1.741 -1.507 1.00 0.00 N ATOM 657 CA ILE A 43 1.213 -3.054 -1.274 1.00 0.00 C ATOM 658 C ILE A 43 0.169 -3.427 -2.323 1.00 0.00 C ATOM 659 O ILE A 43 0.178 -4.546 -2.847 1.00 0.00 O ATOM 660 CB ILE A 43 0.648 -3.316 0.155 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.388 -2.258 0.611 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.776 -3.470 1.165 1.00 0.00 C ATOM 663 CD1 ILE A 43 0.191 -0.976 1.207 1.00 0.00 C ATOM 0 HA ILE A 43 2.078 -3.711 -1.367 1.00 0.00 H new ATOM 0 HB ILE A 43 0.102 -4.258 0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.008 -1.991 -0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.046 -2.716 1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.356 -3.652 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.408 -4.310 0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.373 -2.558 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.622 -0.308 1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.785 -1.220 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.823 -0.484 0.468 1.00 0.00 H new ATOM 675 N LEU A 44 -0.711 -2.469 -2.653 1.00 0.00 N ATOM 676 CA LEU A 44 -1.842 -2.729 -3.535 1.00 0.00 C ATOM 677 C LEU A 44 -1.417 -3.222 -4.911 1.00 0.00 C ATOM 678 O LEU A 44 -1.982 -4.172 -5.416 1.00 0.00 O ATOM 679 CB LEU A 44 -2.781 -1.516 -3.698 1.00 0.00 C ATOM 680 CG LEU A 44 -3.572 -1.036 -2.466 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.459 0.136 -2.849 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.422 -2.152 -1.875 1.00 0.00 C ATOM 0 H LEU A 44 -0.654 -1.507 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.395 -3.523 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.183 -0.678 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.499 -1.754 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.853 -0.724 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.016 0.472 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.841 0.953 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.157 -0.175 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.965 -1.776 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.132 -2.504 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.778 -2.977 -1.570 1.00 0.00 H new ATOM 694 N ALA A 45 -0.383 -2.621 -5.485 1.00 0.00 N ATOM 695 CA ALA A 45 0.050 -2.974 -6.834 1.00 0.00 C ATOM 696 C ALA A 45 0.699 -4.340 -6.871 1.00 0.00 C ATOM 697 O ALA A 45 0.817 -4.944 -7.920 1.00 0.00 O ATOM 698 CB ALA A 45 0.987 -1.921 -7.409 1.00 0.00 C ATOM 0 H ALA A 45 0.171 -1.889 -5.041 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.843 -3.010 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.291 -2.214 -8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.473 -0.961 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.869 -1.833 -6.774 1.00 0.00 H new ATOM 704 N GLN A 46 1.119 -4.824 -5.724 1.00 0.00 N ATOM 705 CA GLN A 46 1.747 -6.121 -5.649 1.00 0.00 C ATOM 706 C GLN A 46 0.720 -7.228 -5.536 1.00 0.00 C ATOM 707 O GLN A 46 0.980 -8.373 -5.924 1.00 0.00 O ATOM 708 CB GLN A 46 2.732 -6.191 -4.498 1.00 0.00 C ATOM 709 CG GLN A 46 3.915 -5.268 -4.662 1.00 0.00 C ATOM 710 CD GLN A 46 4.935 -5.459 -3.574 1.00 0.00 C ATOM 711 OE1 GLN A 46 5.825 -6.300 -3.688 1.00 0.00 O ATOM 712 NE2 GLN A 46 4.858 -4.665 -2.551 1.00 0.00 N ATOM 0 H GLN A 46 1.037 -4.338 -4.831 1.00 0.00 H new ATOM 0 HA GLN A 46 2.298 -6.266 -6.578 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.214 -5.944 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.091 -7.215 -4.399 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.381 -5.445 -5.631 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.571 -4.234 -4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.104 -3.980 -2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.551 -4.726 -1.805 1.00 0.00 H new ATOM 721 N VAL A 47 -0.431 -6.903 -4.995 1.00 0.00 N ATOM 722 CA VAL A 47 -1.492 -7.878 -4.857 1.00 0.00 C ATOM 723 C VAL A 47 -2.467 -7.773 -6.020 1.00 0.00 C ATOM 724 O VAL A 47 -2.867 -8.775 -6.572 1.00 0.00 O ATOM 725 CB VAL A 47 -2.220 -7.803 -3.471 1.00 0.00 C ATOM 726 CG1 VAL A 47 -1.230 -8.034 -2.343 1.00 0.00 C ATOM 727 CG2 VAL A 47 -2.939 -6.473 -3.257 1.00 0.00 C ATOM 0 H VAL A 47 -0.658 -5.973 -4.643 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.028 -8.864 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.976 -8.589 -3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.749 -7.979 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.776 -9.019 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.453 -7.270 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.426 -6.475 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.217 -5.658 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.688 -6.335 -4.036 1.00 0.00 H new ATOM 737 N LEU A 48 -2.798 -6.565 -6.415 1.00 0.00 N ATOM 738 CA LEU A 48 -3.670 -6.340 -7.544 1.00 0.00 C ATOM 739 C LEU A 48 -2.874 -6.491 -8.797 1.00 0.00 C ATOM 740 O LEU A 48 -1.834 -5.839 -8.962 1.00 0.00 O ATOM 741 CB LEU A 48 -4.245 -4.923 -7.518 1.00 0.00 C ATOM 742 CG LEU A 48 -5.155 -4.556 -6.349 1.00 0.00 C ATOM 743 CD1 LEU A 48 -5.449 -3.070 -6.363 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.445 -5.320 -6.439 1.00 0.00 C ATOM 0 H LEU A 48 -2.470 -5.711 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.488 -7.059 -7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.411 -4.221 -7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.804 -4.769 -8.441 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.647 -4.814 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.099 -2.820 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.516 -2.514 -6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.944 -2.806 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.087 -5.051 -5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.948 -5.075 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.237 -6.390 -6.408 1.00 0.00 H new ATOM 756 N ASP A 49 -3.319 -7.330 -9.678 1.00 0.00 N ATOM 757 CA ASP A 49 -2.642 -7.478 -10.935 1.00 0.00 C ATOM 758 C ASP A 49 -3.005 -6.276 -11.844 1.00 0.00 C ATOM 759 O ASP A 49 -3.807 -5.419 -11.443 1.00 0.00 O ATOM 760 CB ASP A 49 -2.969 -8.824 -11.587 1.00 0.00 C ATOM 761 CG ASP A 49 -1.924 -9.229 -12.601 1.00 0.00 C ATOM 762 OD1 ASP A 49 -0.867 -9.774 -12.207 1.00 0.00 O ATOM 763 OD2 ASP A 49 -2.122 -8.986 -13.792 1.00 0.00 O ATOM 0 H ASP A 49 -4.142 -7.921 -9.556 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.564 -7.477 -10.775 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.044 -9.592 -10.817 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.943 -8.765 -12.073 1.00 0.00 H new ATOM 768 N GLN A 50 -2.467 -6.246 -13.047 1.00 0.00 N ATOM 769 CA GLN A 50 -2.526 -5.087 -13.962 1.00 0.00 C ATOM 770 C GLN A 50 -3.929 -4.477 -14.136 1.00 0.00 C ATOM 771 O GLN A 50 -4.117 -3.261 -13.965 1.00 0.00 O ATOM 772 CB GLN A 50 -1.970 -5.491 -15.329 1.00 0.00 C ATOM 773 CG GLN A 50 -1.949 -4.378 -16.371 1.00 0.00 C ATOM 774 CD GLN A 50 -1.099 -3.199 -15.956 1.00 0.00 C ATOM 775 OE1 GLN A 50 0.091 -3.169 -16.219 1.00 0.00 O ATOM 776 NE2 GLN A 50 -1.700 -2.220 -15.322 1.00 0.00 N ATOM 0 H GLN A 50 -1.960 -7.039 -13.440 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.920 -4.308 -13.500 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.954 -5.863 -15.196 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.564 -6.319 -15.716 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.573 -4.777 -17.313 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.969 -4.038 -16.553 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.698 -2.280 -15.119 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.169 -1.399 -15.032 1.00 0.00 H new ATOM 785 N SER A 51 -4.888 -5.298 -14.422 1.00 0.00 N ATOM 786 CA SER A 51 -6.212 -4.827 -14.742 1.00 0.00 C ATOM 787 C SER A 51 -6.998 -4.510 -13.484 1.00 0.00 C ATOM 788 O SER A 51 -7.927 -3.713 -13.502 1.00 0.00 O ATOM 789 CB SER A 51 -6.934 -5.846 -15.610 1.00 0.00 C ATOM 790 OG SER A 51 -6.195 -6.120 -16.801 1.00 0.00 O ATOM 0 H SER A 51 -4.784 -6.312 -14.442 1.00 0.00 H new ATOM 0 HA SER A 51 -6.125 -3.900 -15.308 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.080 -6.769 -15.048 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.924 -5.471 -15.870 1.00 0.00 H new ATOM 0 HG SER A 51 -6.678 -6.779 -17.342 1.00 0.00 H new ATOM 796 N ALA A 52 -6.587 -5.106 -12.386 1.00 0.00 N ATOM 797 CA ALA A 52 -7.264 -4.938 -11.128 1.00 0.00 C ATOM 798 C ALA A 52 -7.126 -3.511 -10.606 1.00 0.00 C ATOM 799 O ALA A 52 -8.059 -2.976 -10.029 1.00 0.00 O ATOM 800 CB ALA A 52 -6.777 -5.944 -10.122 1.00 0.00 C ATOM 0 H ALA A 52 -5.773 -5.720 -12.345 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.327 -5.117 -11.292 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.302 -5.798 -9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.969 -6.951 -10.492 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.706 -5.813 -9.965 1.00 0.00 H new ATOM 806 N ARG A 53 -5.975 -2.870 -10.837 1.00 0.00 N ATOM 807 CA ARG A 53 -5.840 -1.471 -10.405 1.00 0.00 C ATOM 808 C ARG A 53 -6.672 -0.558 -11.284 1.00 0.00 C ATOM 809 O ARG A 53 -7.193 0.452 -10.819 1.00 0.00 O ATOM 810 CB ARG A 53 -4.395 -0.950 -10.315 1.00 0.00 C ATOM 811 CG ARG A 53 -3.523 -1.630 -9.272 1.00 0.00 C ATOM 812 CD ARG A 53 -2.782 -2.806 -9.851 1.00 0.00 C ATOM 813 NE ARG A 53 -1.790 -2.350 -10.834 1.00 0.00 N ATOM 814 CZ ARG A 53 -0.769 -3.060 -11.317 1.00 0.00 C ATOM 815 NH1 ARG A 53 -0.513 -4.282 -10.853 1.00 0.00 N ATOM 816 NH2 ARG A 53 0.021 -2.519 -12.246 1.00 0.00 N ATOM 0 H ARG A 53 -5.158 -3.271 -11.298 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.215 -1.458 -9.382 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.923 -1.066 -11.291 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.424 0.118 -10.100 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.809 -0.912 -8.869 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.143 -1.964 -8.440 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.286 -3.360 -9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.486 -3.490 -10.325 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.892 -1.396 -11.182 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.100 -4.683 -10.122 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.270 -4.817 -11.229 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.159 -1.572 -12.580 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.805 -3.052 -12.623 1.00 0.00 H new ATOM 830 N ALA A 54 -6.822 -0.932 -12.544 1.00 0.00 N ATOM 831 CA ALA A 54 -7.656 -0.176 -13.464 1.00 0.00 C ATOM 832 C ALA A 54 -9.108 -0.323 -13.035 1.00 0.00 C ATOM 833 O ALA A 54 -9.848 0.650 -12.971 1.00 0.00 O ATOM 834 CB ALA A 54 -7.458 -0.660 -14.889 1.00 0.00 C ATOM 0 H ALA A 54 -6.378 -1.754 -12.953 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.374 0.877 -13.437 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.091 -0.081 -15.561 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.414 -0.533 -15.175 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.726 -1.714 -14.956 1.00 0.00 H new ATOM 840 N ARG A 55 -9.480 -1.558 -12.704 1.00 0.00 N ATOM 841 CA ARG A 55 -10.784 -1.904 -12.171 1.00 0.00 C ATOM 842 C ARG A 55 -11.066 -1.073 -10.916 1.00 0.00 C ATOM 843 O ARG A 55 -12.139 -0.495 -10.768 1.00 0.00 O ATOM 844 CB ARG A 55 -10.755 -3.384 -11.801 1.00 0.00 C ATOM 845 CG ARG A 55 -12.081 -4.005 -11.416 1.00 0.00 C ATOM 846 CD ARG A 55 -12.966 -4.248 -12.628 1.00 0.00 C ATOM 847 NE ARG A 55 -13.570 -3.032 -13.174 1.00 0.00 N ATOM 848 CZ ARG A 55 -13.749 -2.791 -14.479 1.00 0.00 C ATOM 849 NH1 ARG A 55 -13.142 -3.537 -15.397 1.00 0.00 N ATOM 850 NH2 ARG A 55 -14.512 -1.784 -14.856 1.00 0.00 N ATOM 0 H ARG A 55 -8.862 -2.363 -12.804 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.562 -1.704 -12.908 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.349 -3.940 -12.646 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.062 -3.516 -10.970 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.904 -4.949 -10.901 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.598 -3.351 -10.714 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.375 -4.730 -13.407 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.759 -4.944 -12.353 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.876 -2.317 -12.514 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.532 -4.303 -15.110 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.286 -3.344 -16.388 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.961 -1.194 -14.155 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.653 -1.594 -15.848 1.00 0.00 H new ATOM 864 N LEU A 56 -10.075 -1.011 -10.041 1.00 0.00 N ATOM 865 CA LEU A 56 -10.150 -0.256 -8.795 1.00 0.00 C ATOM 866 C LEU A 56 -10.338 1.238 -9.063 1.00 0.00 C ATOM 867 O LEU A 56 -11.191 1.875 -8.457 1.00 0.00 O ATOM 868 CB LEU A 56 -8.874 -0.472 -7.968 1.00 0.00 C ATOM 869 CG LEU A 56 -8.819 0.224 -6.603 1.00 0.00 C ATOM 870 CD1 LEU A 56 -9.853 -0.359 -5.656 1.00 0.00 C ATOM 871 CD2 LEU A 56 -7.424 0.136 -6.005 1.00 0.00 C ATOM 0 H LEU A 56 -9.184 -1.489 -10.175 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.013 -0.618 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.746 -1.543 -7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.023 -0.133 -8.559 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.055 1.278 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.794 0.151 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.849 -0.225 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.659 -1.422 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.411 0.637 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.149 -0.911 -5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.711 0.619 -6.673 1.00 0.00 H new ATOM 883 N SER A 57 -9.544 1.780 -9.974 1.00 0.00 N ATOM 884 CA SER A 57 -9.603 3.193 -10.323 1.00 0.00 C ATOM 885 C SER A 57 -10.972 3.526 -10.934 1.00 0.00 C ATOM 886 O SER A 57 -11.573 4.557 -10.625 1.00 0.00 O ATOM 887 CB SER A 57 -8.453 3.538 -11.298 1.00 0.00 C ATOM 888 OG SER A 57 -8.379 4.933 -11.571 1.00 0.00 O ATOM 0 H SER A 57 -8.841 1.254 -10.492 1.00 0.00 H new ATOM 0 HA SER A 57 -9.481 3.797 -9.424 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.507 3.202 -10.874 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.595 2.994 -12.232 1.00 0.00 H new ATOM 0 HG SER A 57 -7.639 5.107 -12.189 1.00 0.00 H new ATOM 894 N ASN A 58 -11.466 2.620 -11.760 1.00 0.00 N ATOM 895 CA ASN A 58 -12.765 2.760 -12.409 1.00 0.00 C ATOM 896 C ASN A 58 -13.864 2.752 -11.338 1.00 0.00 C ATOM 897 O ASN A 58 -14.769 3.595 -11.344 1.00 0.00 O ATOM 898 CB ASN A 58 -12.954 1.592 -13.401 1.00 0.00 C ATOM 899 CG ASN A 58 -14.169 1.699 -14.321 1.00 0.00 C ATOM 900 OD1 ASN A 58 -15.208 2.259 -13.982 1.00 0.00 O ATOM 901 ND2 ASN A 58 -14.041 1.142 -15.498 1.00 0.00 N ATOM 0 H ASN A 58 -10.976 1.759 -12.003 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.822 3.700 -12.957 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.059 1.514 -14.018 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.031 0.665 -12.833 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.816 1.166 -16.161 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.166 0.684 -15.753 1.00 0.00 H new ATOM 908 N LEU A 59 -13.730 1.829 -10.389 1.00 0.00 N ATOM 909 CA LEU A 59 -14.679 1.677 -9.290 1.00 0.00 C ATOM 910 C LEU A 59 -14.668 2.949 -8.433 1.00 0.00 C ATOM 911 O LEU A 59 -15.717 3.436 -8.013 1.00 0.00 O ATOM 912 CB LEU A 59 -14.285 0.448 -8.429 1.00 0.00 C ATOM 913 CG LEU A 59 -15.398 -0.265 -7.611 1.00 0.00 C ATOM 914 CD1 LEU A 59 -15.958 0.601 -6.500 1.00 0.00 C ATOM 915 CD2 LEU A 59 -16.518 -0.746 -8.525 1.00 0.00 C ATOM 0 H LEU A 59 -12.958 1.163 -10.361 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.682 1.521 -9.687 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.834 -0.291 -9.091 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.511 0.766 -7.731 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.929 -1.127 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -16.731 0.050 -5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.158 0.869 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -16.388 1.507 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -17.285 -1.242 -7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.956 0.107 -9.044 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.115 -1.448 -9.256 1.00 0.00 H new ATOM 927 N ALA A 60 -13.472 3.482 -8.219 1.00 0.00 N ATOM 928 CA ALA A 60 -13.247 4.694 -7.420 1.00 0.00 C ATOM 929 C ALA A 60 -13.965 5.895 -8.000 1.00 0.00 C ATOM 930 O ALA A 60 -14.396 6.781 -7.273 1.00 0.00 O ATOM 931 CB ALA A 60 -11.760 4.994 -7.330 1.00 0.00 C ATOM 0 H ALA A 60 -12.613 3.083 -8.599 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.650 4.504 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.606 5.894 -6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.248 4.156 -6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.359 5.147 -8.332 1.00 0.00 H new ATOM 937 N LEU A 61 -14.060 5.933 -9.304 1.00 0.00 N ATOM 938 CA LEU A 61 -14.724 7.012 -9.992 1.00 0.00 C ATOM 939 C LEU A 61 -16.234 6.909 -9.826 1.00 0.00 C ATOM 940 O LEU A 61 -16.914 7.912 -9.534 1.00 0.00 O ATOM 941 CB LEU A 61 -14.349 7.003 -11.478 1.00 0.00 C ATOM 942 CG LEU A 61 -12.869 7.243 -11.813 1.00 0.00 C ATOM 943 CD1 LEU A 61 -12.639 7.134 -13.311 1.00 0.00 C ATOM 944 CD2 LEU A 61 -12.409 8.605 -11.306 1.00 0.00 C ATOM 0 H LEU A 61 -13.679 5.216 -9.921 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.396 7.954 -9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.642 6.041 -11.898 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.941 7.765 -11.984 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.280 6.475 -11.311 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.585 7.307 -13.531 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.922 6.138 -13.651 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.244 7.879 -13.827 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.358 8.750 -11.556 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.005 9.388 -11.775 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.535 8.652 -10.224 1.00 0.00 H new ATOM 956 N VAL A 62 -16.755 5.703 -9.986 1.00 0.00 N ATOM 957 CA VAL A 62 -18.184 5.480 -9.895 1.00 0.00 C ATOM 958 C VAL A 62 -18.720 5.506 -8.450 1.00 0.00 C ATOM 959 O VAL A 62 -19.554 6.355 -8.123 1.00 0.00 O ATOM 960 CB VAL A 62 -18.684 4.237 -10.704 1.00 0.00 C ATOM 961 CG1 VAL A 62 -18.529 4.492 -12.195 1.00 0.00 C ATOM 962 CG2 VAL A 62 -17.930 2.969 -10.331 1.00 0.00 C ATOM 0 H VAL A 62 -16.207 4.865 -10.180 1.00 0.00 H new ATOM 0 HA VAL A 62 -18.626 6.344 -10.391 1.00 0.00 H new ATOM 0 HB VAL A 62 -19.735 4.090 -10.454 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -18.879 3.622 -12.751 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.117 5.365 -12.478 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -17.479 4.672 -12.426 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.311 2.133 -10.918 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -16.868 3.103 -10.538 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.070 2.761 -9.270 1.00 0.00 H new ATOM 972 N LYS A 63 -18.238 4.627 -7.574 1.00 0.00 N ATOM 973 CA LYS A 63 -18.696 4.632 -6.185 1.00 0.00 C ATOM 974 C LYS A 63 -17.515 4.484 -5.255 1.00 0.00 C ATOM 975 O LYS A 63 -17.125 3.357 -4.918 1.00 0.00 O ATOM 976 CB LYS A 63 -19.728 3.529 -5.817 1.00 0.00 C ATOM 977 CG LYS A 63 -20.984 3.412 -6.690 1.00 0.00 C ATOM 978 CD LYS A 63 -20.729 2.644 -7.979 1.00 0.00 C ATOM 979 CE LYS A 63 -20.296 1.196 -7.717 1.00 0.00 C ATOM 980 NZ LYS A 63 -21.363 0.383 -7.069 1.00 0.00 N ATOM 0 H LYS A 63 -17.543 3.914 -7.794 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.205 5.589 -6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.214 2.568 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -20.048 3.698 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.771 2.914 -6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -21.349 4.410 -6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -21.634 2.646 -8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -19.957 3.153 -8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -20.013 0.730 -8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -19.410 1.196 -7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -21.048 -0.605 -6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -21.557 0.759 -6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -22.229 0.427 -7.643 1.00 0.00 H new ATOM 994 N PRO A 64 -16.939 5.605 -4.805 1.00 0.00 N ATOM 995 CA PRO A 64 -15.772 5.610 -3.910 1.00 0.00 C ATOM 996 C PRO A 64 -16.067 4.989 -2.542 1.00 0.00 C ATOM 997 O PRO A 64 -15.145 4.672 -1.781 1.00 0.00 O ATOM 998 CB PRO A 64 -15.440 7.093 -3.735 1.00 0.00 C ATOM 999 CG PRO A 64 -16.169 7.801 -4.823 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.365 6.967 -5.143 1.00 0.00 C ATOM 0 HA PRO A 64 -14.960 5.018 -4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -15.755 7.452 -2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.366 7.265 -3.807 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.467 8.800 -4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.534 7.922 -5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.233 7.272 -4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.642 7.051 -6.194 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.346 4.787 -2.249 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.757 4.229 -0.977 1.00 0.00 C ATOM 1010 C GLU A 65 -17.327 2.792 -0.888 1.00 0.00 C ATOM 1011 O GLU A 65 -16.914 2.310 0.168 1.00 0.00 O ATOM 1012 CB GLU A 65 -19.276 4.315 -0.752 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.860 5.719 -0.707 1.00 0.00 C ATOM 1014 CD GLU A 65 -19.947 6.390 -2.054 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -20.937 6.164 -2.770 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -19.039 7.149 -2.418 1.00 0.00 O ATOM 0 H GLU A 65 -18.116 5.004 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 65 -17.275 4.823 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.774 3.760 -1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -19.514 3.812 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -20.858 5.673 -0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -19.251 6.334 -0.045 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.429 2.094 -1.995 1.00 0.00 N ATOM 1024 CA LYS A 66 -17.041 0.712 -2.020 1.00 0.00 C ATOM 1025 C LYS A 66 -15.537 0.609 -2.132 1.00 0.00 C ATOM 1026 O LYS A 66 -14.936 -0.332 -1.621 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.742 -0.072 -3.133 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.262 0.125 -3.197 1.00 0.00 C ATOM 1029 CD LYS A 66 -19.961 -0.046 -1.837 1.00 0.00 C ATOM 1030 CE LYS A 66 -19.759 -1.423 -1.222 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.436 -1.534 0.093 1.00 0.00 N ATOM 0 H LYS A 66 -17.775 2.461 -2.881 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.360 0.255 -1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.311 0.219 -4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.532 -1.133 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.475 1.122 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.683 -0.588 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.587 0.710 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.029 0.135 -1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.147 -2.185 -1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.693 -1.616 -1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.055 -2.351 0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.271 -0.667 0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.458 -1.662 -0.052 1.00 0.00 H new ATOM 1045 N THR A 67 -14.933 1.597 -2.789 1.00 0.00 N ATOM 1046 CA THR A 67 -13.497 1.666 -2.941 1.00 0.00 C ATOM 1047 C THR A 67 -12.843 1.790 -1.559 1.00 0.00 C ATOM 1048 O THR A 67 -11.854 1.133 -1.275 1.00 0.00 O ATOM 1049 CB THR A 67 -13.130 2.883 -3.775 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.134 3.039 -4.790 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.793 2.663 -4.459 1.00 0.00 C ATOM 0 H THR A 67 -15.434 2.369 -3.228 1.00 0.00 H new ATOM 0 HA THR A 67 -13.144 0.762 -3.437 1.00 0.00 H new ATOM 0 HB THR A 67 -13.067 3.763 -3.135 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.848 2.578 -5.606 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.540 3.541 -5.054 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.022 2.500 -3.706 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.856 1.790 -5.109 1.00 0.00 H new ATOM 1059 N LYS A 68 -13.468 2.601 -0.701 1.00 0.00 N ATOM 1060 CA LYS A 68 -13.044 2.820 0.679 1.00 0.00 C ATOM 1061 C LYS A 68 -12.906 1.480 1.402 1.00 0.00 C ATOM 1062 O LYS A 68 -11.901 1.218 2.091 1.00 0.00 O ATOM 1063 CB LYS A 68 -14.121 3.672 1.382 1.00 0.00 C ATOM 1064 CG LYS A 68 -13.897 3.945 2.871 1.00 0.00 C ATOM 1065 CD LYS A 68 -12.734 4.893 3.138 1.00 0.00 C ATOM 1066 CE LYS A 68 -12.989 6.280 2.560 1.00 0.00 C ATOM 1067 NZ LYS A 68 -11.967 7.259 2.994 1.00 0.00 N ATOM 0 H LYS A 68 -14.300 3.134 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.080 3.329 0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.193 4.629 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.083 3.173 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.807 4.367 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.713 3.001 3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.569 4.972 4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.823 4.481 2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.997 6.223 1.472 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.976 6.625 2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.178 8.189 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.976 7.333 4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.028 6.944 2.678 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.907 0.638 1.212 1.00 0.00 N ATOM 1082 CA ALA A 69 -13.956 -0.666 1.821 1.00 0.00 C ATOM 1083 C ALA A 69 -12.918 -1.607 1.216 1.00 0.00 C ATOM 1084 O ALA A 69 -12.135 -2.210 1.946 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.353 -1.251 1.712 1.00 0.00 C ATOM 0 H ALA A 69 -14.713 0.849 0.624 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.712 -0.552 2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.372 -2.237 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.062 -0.597 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.629 -1.340 0.661 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.889 -1.714 -0.121 1.00 0.00 N ATOM 1092 CA VAL A 70 -11.945 -2.625 -0.769 1.00 0.00 C ATOM 1093 C VAL A 70 -10.486 -2.234 -0.521 1.00 0.00 C ATOM 1094 O VAL A 70 -9.671 -3.104 -0.269 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.213 -2.887 -2.288 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.566 -3.542 -2.492 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -12.132 -1.619 -3.096 1.00 0.00 C ATOM 0 H VAL A 70 -13.493 -1.194 -0.757 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.129 -3.580 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.433 -3.563 -2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.730 -3.714 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.593 -4.494 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.348 -2.889 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.324 -1.843 -4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.876 -0.909 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.137 -1.185 -2.994 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.170 -0.923 -0.540 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.806 -0.452 -0.233 1.00 0.00 C ATOM 1109 C GLU A 71 -8.387 -0.992 1.120 1.00 0.00 C ATOM 1110 O GLU A 71 -7.351 -1.630 1.251 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.717 1.089 -0.172 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.817 1.844 -1.480 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.738 3.346 -1.247 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -7.632 3.905 -1.183 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -9.796 4.008 -1.082 1.00 0.00 O ATOM 0 H GLU A 71 -10.833 -0.180 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.155 -0.807 -1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.510 1.447 0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.770 1.354 0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.013 1.533 -2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.756 1.598 -1.976 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.231 -0.744 2.103 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.034 -1.166 3.470 1.00 0.00 C ATOM 1124 C ASN A 72 -8.855 -2.674 3.549 1.00 0.00 C ATOM 1125 O ASN A 72 -7.901 -3.166 4.160 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.261 -0.767 4.291 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.117 -1.068 5.756 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -10.446 -2.152 6.223 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -9.667 -0.104 6.494 1.00 0.00 N ATOM 0 H ASN A 72 -10.099 -0.227 1.964 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.137 -0.687 3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.445 0.300 4.162 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.135 -1.290 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.576 -0.233 7.502 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.403 0.784 6.068 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.743 -3.392 2.887 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.746 -4.835 2.933 1.00 0.00 C ATOM 1138 C TYR A 73 -8.483 -5.415 2.288 1.00 0.00 C ATOM 1139 O TYR A 73 -7.889 -6.343 2.827 1.00 0.00 O ATOM 1140 CB TYR A 73 -11.015 -5.401 2.285 1.00 0.00 C ATOM 1141 CG TYR A 73 -11.259 -6.858 2.615 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -11.818 -7.214 3.837 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.933 -7.868 1.724 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -12.045 -8.532 4.160 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -11.157 -9.193 2.043 1.00 0.00 C ATOM 1146 CZ TYR A 73 -11.714 -9.518 3.267 1.00 0.00 C ATOM 1147 OH TYR A 73 -11.952 -10.836 3.589 1.00 0.00 O ATOM 0 H TYR A 73 -10.478 -2.990 2.306 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.744 -5.136 3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.873 -4.814 2.611 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.943 -5.288 1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.079 -6.442 4.546 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.498 -7.616 0.768 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.482 -8.789 5.114 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.899 -9.972 1.340 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.662 -11.411 2.850 1.00 0.00 H new ATOM 1157 N LEU A 74 -8.066 -4.856 1.155 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.832 -5.293 0.499 1.00 0.00 C ATOM 1159 C LEU A 74 -5.616 -4.990 1.352 1.00 0.00 C ATOM 1160 O LEU A 74 -4.711 -5.807 1.441 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.639 -4.696 -0.905 1.00 0.00 C ATOM 1162 CG LEU A 74 -7.302 -5.408 -2.109 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.766 -6.807 -2.261 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.817 -5.430 -2.017 1.00 0.00 C ATOM 0 H LEU A 74 -8.559 -4.104 0.673 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.935 -6.372 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.008 -3.671 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.568 -4.645 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.045 -4.827 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.245 -7.290 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.689 -6.768 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.975 -7.377 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.227 -5.942 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.119 -5.956 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.194 -4.408 -1.986 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.602 -3.819 1.986 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.503 -3.436 2.880 1.00 0.00 C ATOM 1178 C ILE A 75 -4.419 -4.430 4.034 1.00 0.00 C ATOM 1179 O ILE A 75 -3.336 -4.925 4.377 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.691 -1.987 3.453 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -4.675 -0.930 2.336 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.647 -1.656 4.515 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -3.407 -0.875 1.536 1.00 0.00 C ATOM 0 H ILE A 75 -6.337 -3.117 1.899 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.581 -3.448 2.299 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.671 -1.964 3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.506 -1.126 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.850 0.050 2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.813 -0.644 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.731 -2.363 5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.650 -1.724 4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.491 -0.101 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.570 -0.645 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.237 -1.839 1.057 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.568 -4.733 4.596 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.680 -5.662 5.691 1.00 0.00 C ATOM 1197 C GLN A 76 -5.216 -7.048 5.237 1.00 0.00 C ATOM 1198 O GLN A 76 -4.402 -7.693 5.893 1.00 0.00 O ATOM 1199 CB GLN A 76 -7.132 -5.712 6.176 1.00 0.00 C ATOM 1200 CG GLN A 76 -7.345 -6.508 7.450 1.00 0.00 C ATOM 1201 CD GLN A 76 -6.707 -5.871 8.678 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -5.687 -5.177 8.595 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -7.295 -6.099 9.816 1.00 0.00 N ATOM 0 H GLN A 76 -6.459 -4.335 4.300 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.048 -5.335 6.516 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.483 -4.693 6.337 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.750 -6.141 5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.415 -6.621 7.624 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.936 -7.509 7.316 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.135 -6.676 9.849 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.916 -5.700 10.675 1.00 0.00 H new ATOM 1212 N MET A 77 -5.700 -7.462 4.076 1.00 0.00 N ATOM 1213 CA MET A 77 -5.353 -8.743 3.485 1.00 0.00 C ATOM 1214 C MET A 77 -3.837 -8.842 3.258 1.00 0.00 C ATOM 1215 O MET A 77 -3.203 -9.855 3.611 1.00 0.00 O ATOM 1216 CB MET A 77 -6.087 -8.913 2.157 1.00 0.00 C ATOM 1217 CG MET A 77 -5.743 -10.194 1.419 1.00 0.00 C ATOM 1218 SD MET A 77 -6.627 -10.392 -0.134 1.00 0.00 S ATOM 1219 CE MET A 77 -8.305 -10.592 0.449 1.00 0.00 C ATOM 0 H MET A 77 -6.350 -6.913 3.514 1.00 0.00 H new ATOM 0 HA MET A 77 -5.653 -9.535 4.171 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.161 -8.890 2.342 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.856 -8.063 1.515 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.671 -10.213 1.222 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.964 -11.045 2.064 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.796 -11.382 -0.119 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.294 -10.859 1.506 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.850 -9.657 0.316 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.264 -7.775 2.695 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.834 -7.691 2.414 1.00 0.00 C ATOM 1231 C ALA A 78 -1.002 -7.770 3.689 1.00 0.00 C ATOM 1232 O ALA A 78 0.058 -8.395 3.700 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.506 -6.419 1.642 1.00 0.00 C ATOM 0 H ALA A 78 -3.785 -6.942 2.421 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.575 -8.550 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.435 -6.379 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.049 -6.416 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.799 -5.550 2.231 1.00 0.00 H new ATOM 1353 N LYS A 86 -2.557 -13.341 -7.473 1.00 0.00 N ATOM 1354 CA LYS A 86 -2.842 -11.960 -7.643 1.00 0.00 C ATOM 1355 C LYS A 86 -4.327 -11.746 -7.561 1.00 0.00 C ATOM 1356 O LYS A 86 -5.130 -12.597 -7.991 1.00 0.00 O ATOM 1357 CB LYS A 86 -2.419 -11.483 -9.025 1.00 0.00 C ATOM 1358 CG LYS A 86 -0.939 -11.429 -9.323 1.00 0.00 C ATOM 1359 CD LYS A 86 -0.219 -10.386 -8.487 1.00 0.00 C ATOM 1360 CE LYS A 86 1.198 -10.183 -8.999 1.00 0.00 C ATOM 1361 NZ LYS A 86 1.214 -9.625 -10.382 1.00 0.00 N ATOM 0 HA LYS A 86 -2.304 -11.414 -6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.887 -12.134 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.829 -10.484 -9.176 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.498 -12.408 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.792 -11.209 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.764 -9.443 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.194 -10.701 -7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.733 -9.510 -8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.729 -11.135 -8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.778 -10.243 -10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.241 -9.568 -10.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.634 -8.674 -10.368 1.00 0.00 H new ATOM 1375 N VAL A 87 -4.692 -10.640 -7.045 1.00 0.00 N ATOM 1376 CA VAL A 87 -6.035 -10.258 -7.049 1.00 0.00 C ATOM 1377 C VAL A 87 -6.259 -9.641 -8.411 1.00 0.00 C ATOM 1378 O VAL A 87 -5.673 -8.603 -8.748 1.00 0.00 O ATOM 1379 CB VAL A 87 -6.329 -9.229 -5.924 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.793 -8.827 -5.917 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.929 -9.792 -4.567 1.00 0.00 C ATOM 0 H VAL A 87 -4.058 -9.972 -6.606 1.00 0.00 H new ATOM 0 HA VAL A 87 -6.697 -11.104 -6.865 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.734 -8.338 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.968 -8.106 -5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.051 -8.377 -6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.412 -9.709 -5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.142 -9.057 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.495 -10.703 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.863 -10.020 -4.568 1.00 0.00 H new ATOM 1391 N SER A 88 -7.016 -10.314 -9.199 1.00 0.00 N ATOM 1392 CA SER A 88 -7.326 -9.893 -10.518 1.00 0.00 C ATOM 1393 C SER A 88 -8.623 -9.126 -10.477 1.00 0.00 C ATOM 1394 O SER A 88 -9.119 -8.817 -9.388 1.00 0.00 O ATOM 1395 CB SER A 88 -7.466 -11.147 -11.357 1.00 0.00 C ATOM 1396 OG SER A 88 -8.349 -12.063 -10.711 1.00 0.00 O ATOM 0 H SER A 88 -7.450 -11.199 -8.937 1.00 0.00 H new ATOM 0 HA SER A 88 -6.556 -9.248 -10.941 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.849 -10.894 -12.345 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.490 -11.609 -11.502 1.00 0.00 H new ATOM 0 HG SER A 88 -8.438 -12.872 -11.257 1.00 0.00 H new ATOM 1402 N GLU A 89 -9.185 -8.808 -11.631 1.00 0.00 N ATOM 1403 CA GLU A 89 -10.479 -8.174 -11.658 1.00 0.00 C ATOM 1404 C GLU A 89 -11.505 -9.107 -11.055 1.00 0.00 C ATOM 1405 O GLU A 89 -12.357 -8.676 -10.316 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.888 -7.765 -13.062 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.968 -6.748 -13.684 1.00 0.00 C ATOM 1408 CD GLU A 89 -10.452 -6.290 -15.028 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -11.279 -5.368 -15.083 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -9.996 -6.832 -16.051 1.00 0.00 O ATOM 0 H GLU A 89 -8.768 -8.978 -12.546 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.421 -7.259 -11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.918 -8.651 -13.696 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.899 -7.359 -13.033 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.878 -5.888 -13.020 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.971 -7.177 -13.786 1.00 0.00 H new ATOM 1417 N GLN A 90 -11.350 -10.401 -11.323 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.226 -11.421 -10.762 1.00 0.00 C ATOM 1419 C GLN A 90 -12.125 -11.404 -9.237 1.00 0.00 C ATOM 1420 O GLN A 90 -13.137 -11.322 -8.538 1.00 0.00 O ATOM 1421 CB GLN A 90 -11.832 -12.798 -11.293 1.00 0.00 C ATOM 1422 CG GLN A 90 -12.629 -13.950 -10.707 1.00 0.00 C ATOM 1423 CD GLN A 90 -12.134 -15.291 -11.194 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -12.604 -15.813 -12.203 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -11.178 -15.846 -10.504 1.00 0.00 N ATOM 0 H GLN A 90 -10.618 -10.768 -11.931 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.254 -11.210 -11.056 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.952 -12.804 -12.376 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.774 -12.963 -11.089 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.569 -13.915 -9.619 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.680 -13.834 -10.972 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.814 -15.382 -9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.794 -16.745 -10.796 1.00 0.00 H new ATOM 1434 N GLY A 91 -10.894 -11.437 -8.744 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.648 -11.415 -7.318 1.00 0.00 C ATOM 1436 C GLY A 91 -11.150 -10.142 -6.663 1.00 0.00 C ATOM 1437 O GLY A 91 -11.770 -10.184 -5.597 1.00 0.00 O ATOM 0 H GLY A 91 -10.051 -11.479 -9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.134 -12.274 -6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.578 -11.517 -7.135 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.909 -9.011 -7.309 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.331 -7.729 -6.783 1.00 0.00 C ATOM 1443 C LEU A 92 -12.848 -7.621 -6.797 1.00 0.00 C ATOM 1444 O LEU A 92 -13.434 -7.098 -5.867 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.695 -6.564 -7.558 1.00 0.00 C ATOM 1446 CG LEU A 92 -11.012 -5.153 -7.037 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.501 -4.965 -5.613 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.425 -4.102 -7.953 1.00 0.00 C ATOM 0 H LEU A 92 -10.420 -8.959 -8.203 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.987 -7.663 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.613 -6.697 -7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.017 -6.627 -8.597 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.096 -5.037 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.739 -3.958 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.977 -5.693 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.421 -5.109 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.660 -3.110 -7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.343 -4.225 -8.002 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.848 -4.212 -8.952 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.475 -8.134 -7.844 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.925 -8.141 -7.935 1.00 0.00 C ATOM 1462 C ILE A 93 -15.519 -9.032 -6.850 1.00 0.00 C ATOM 1463 O ILE A 93 -16.528 -8.690 -6.259 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.424 -8.540 -9.360 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -15.102 -7.408 -10.350 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.921 -8.863 -9.372 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -15.381 -7.741 -11.798 1.00 0.00 C ATOM 0 H ILE A 93 -13.000 -8.552 -8.644 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.277 -7.123 -7.767 1.00 0.00 H new ATOM 0 HB ILE A 93 -14.902 -9.448 -9.663 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.682 -6.527 -10.075 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -14.050 -7.142 -10.248 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -17.226 -9.135 -10.382 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -17.119 -9.695 -8.696 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.484 -7.989 -9.046 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -15.125 -6.886 -12.424 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.781 -8.601 -12.096 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -16.438 -7.976 -11.920 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.847 -10.129 -6.558 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.250 -11.036 -5.490 1.00 0.00 C ATOM 1481 C GLU A 94 -15.192 -10.289 -4.143 1.00 0.00 C ATOM 1482 O GLU A 94 -16.143 -10.322 -3.362 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.318 -12.257 -5.478 1.00 0.00 C ATOM 1484 CG GLU A 94 -14.695 -13.365 -4.499 1.00 0.00 C ATOM 1485 CD GLU A 94 -16.033 -14.007 -4.803 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -16.371 -14.183 -5.994 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -16.743 -14.406 -3.860 1.00 0.00 O ATOM 0 H GLU A 94 -14.004 -10.421 -7.053 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.270 -11.382 -5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -14.289 -12.679 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.308 -11.919 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.921 -14.132 -4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.718 -12.955 -3.489 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.091 -9.578 -3.908 1.00 0.00 N ATOM 1495 CA ILE A 95 -13.935 -8.763 -2.698 1.00 0.00 C ATOM 1496 C ILE A 95 -14.975 -7.633 -2.679 1.00 0.00 C ATOM 1497 O ILE A 95 -15.542 -7.302 -1.627 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.484 -8.196 -2.566 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.485 -9.355 -2.399 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.375 -7.227 -1.389 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -10.032 -8.938 -2.448 1.00 0.00 C ATOM 0 H ILE A 95 -13.290 -9.548 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.106 -9.407 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.246 -7.644 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.677 -9.850 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.666 -10.091 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.355 -6.849 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.062 -6.394 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.631 -7.746 -0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.397 -9.815 -2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.820 -8.471 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.830 -8.227 -1.647 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.244 -7.086 -3.844 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.244 -6.058 -4.012 1.00 0.00 C ATOM 1515 C LEU A 96 -17.618 -6.601 -3.616 1.00 0.00 C ATOM 1516 O LEU A 96 -18.384 -5.920 -2.955 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.268 -5.568 -5.462 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.186 -4.390 -5.770 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.700 -3.125 -5.069 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.283 -4.180 -7.270 1.00 0.00 C ATOM 0 H LEU A 96 -14.769 -7.346 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 96 -15.994 -5.216 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.252 -5.291 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.560 -6.403 -6.099 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.182 -4.617 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.371 -2.298 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.688 -3.288 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.693 -2.884 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.941 -3.336 -7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.291 -3.975 -7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.686 -5.078 -7.738 1.00 0.00 H new ATOM 1532 N LYS A 97 -17.908 -7.836 -4.011 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.157 -8.509 -3.651 1.00 0.00 C ATOM 1534 C LYS A 97 -19.240 -8.653 -2.150 1.00 0.00 C ATOM 1535 O LYS A 97 -20.264 -8.331 -1.544 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.243 -9.896 -4.289 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.232 -9.907 -5.798 1.00 0.00 C ATOM 1538 CD LYS A 97 -20.465 -9.260 -6.385 1.00 0.00 C ATOM 1539 CE LYS A 97 -20.402 -9.254 -7.901 1.00 0.00 C ATOM 1540 NZ LYS A 97 -20.210 -10.607 -8.450 1.00 0.00 N ATOM 0 H LYS A 97 -17.286 -8.401 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 97 -19.985 -7.904 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.407 -10.497 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.156 -10.382 -3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.345 -9.385 -6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.161 -10.936 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -21.354 -9.797 -6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.555 -8.238 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -21.322 -8.828 -8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.585 -8.611 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.424 -10.602 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.224 -10.904 -8.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.847 -11.272 -7.966 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.143 -9.098 -1.558 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.028 -9.272 -0.117 1.00 0.00 C ATOM 1556 C LYS A 98 -18.368 -7.982 0.626 1.00 0.00 C ATOM 1557 O LYS A 98 -19.153 -7.990 1.579 1.00 0.00 O ATOM 1558 CB LYS A 98 -16.612 -9.745 0.249 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.251 -11.127 -0.311 1.00 0.00 C ATOM 1560 CD LYS A 98 -14.781 -11.491 -0.077 1.00 0.00 C ATOM 1561 CE LYS A 98 -14.412 -11.499 1.393 1.00 0.00 C ATOM 1562 NZ LYS A 98 -15.111 -12.550 2.148 1.00 0.00 N ATOM 0 H LYS A 98 -17.298 -9.352 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.746 -10.033 0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.890 -9.016 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.517 -9.768 1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.887 -11.881 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.461 -11.148 -1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.581 -12.474 -0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.145 -10.779 -0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.336 -11.641 1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.647 -10.528 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.785 -12.544 3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.136 -12.374 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.908 -13.477 1.722 1.00 0.00 H new ATOM 1576 N VAL A 99 -17.824 -6.872 0.169 1.00 0.00 N ATOM 1577 CA VAL A 99 -18.071 -5.599 0.827 1.00 0.00 C ATOM 1578 C VAL A 99 -19.404 -4.948 0.404 1.00 0.00 C ATOM 1579 O VAL A 99 -19.896 -4.054 1.078 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.902 -4.582 0.671 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.600 -5.155 1.212 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.733 -4.136 -0.771 1.00 0.00 C ATOM 0 H VAL A 99 -17.214 -6.822 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 99 -18.143 -5.854 1.884 1.00 0.00 H new ATOM 0 HB VAL A 99 -17.160 -3.703 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.802 -4.423 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.718 -5.390 2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.347 -6.063 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.908 -3.427 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.519 -5.002 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.651 -3.658 -1.114 1.00 0.00 H new ATOM 1592 N SER A 100 -19.962 -5.354 -0.715 1.00 0.00 N ATOM 1593 CA SER A 100 -21.230 -4.820 -1.150 1.00 0.00 C ATOM 1594 C SER A 100 -22.417 -5.588 -0.545 1.00 0.00 C ATOM 1595 O SER A 100 -23.261 -5.000 0.133 1.00 0.00 O ATOM 1596 CB SER A 100 -21.307 -4.811 -2.675 1.00 0.00 C ATOM 1597 OG SER A 100 -20.242 -4.040 -3.237 1.00 0.00 O ATOM 0 H SER A 100 -19.557 -6.052 -1.339 1.00 0.00 H new ATOM 0 HA SER A 100 -21.297 -3.794 -0.789 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.259 -5.833 -3.051 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.265 -4.399 -2.992 1.00 0.00 H new ATOM 0 HG SER A 100 -19.386 -4.476 -3.045 1.00 0.00 H new