USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 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 15:sc= 1.01 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 141:sc= 1.34 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0088 X(o=-0.0088,f=-0.25) USER MOD Single : A 51 SER OG : rot 89:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.802 X(o=-0.8,f=-0.97) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= 1.19 (180deg=0.934) USER MOD Single : A 67 THR OG1 : rot -80:sc= -2.03 USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.19) USER MOD Single : A 72 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.1!) USER MOD Single : A 76 GLN : amide:sc= -0.632 K(o=-0.63,f=-3.5!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -140:sc= -0.133 (180deg=-0.562) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0521 USER MOD Single : A 90 GLN : amide:sc= -1.25 K(o=-1.3,f=-6.4!) USER MOD Single : A 97 LYS NZ :NH3+ 162:sc= -1.41 (180deg=-2.31!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 10.234 43.028 23.843 1.00 0.00 N ATOM 22 CA ALA A 2 9.341 42.046 24.478 1.00 0.00 C ATOM 23 C ALA A 2 7.865 42.429 24.423 1.00 0.00 C ATOM 24 O ALA A 2 7.005 41.574 24.155 1.00 0.00 O ATOM 25 CB ALA A 2 9.755 41.811 25.909 1.00 0.00 C ATOM 0 HA ALA A 2 9.444 41.128 23.899 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.086 41.082 26.366 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.777 41.432 25.935 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.702 42.749 26.462 1.00 0.00 H new ATOM 31 N ASP A 3 7.572 43.687 24.650 1.00 0.00 N ATOM 32 CA ASP A 3 6.201 44.165 24.644 1.00 0.00 C ATOM 33 C ASP A 3 5.681 44.153 23.221 1.00 0.00 C ATOM 34 O ASP A 3 4.538 43.765 22.950 1.00 0.00 O ATOM 35 CB ASP A 3 6.104 45.591 25.210 1.00 0.00 C ATOM 36 CG ASP A 3 6.644 45.743 26.617 1.00 0.00 C ATOM 37 OD1 ASP A 3 6.134 45.097 27.556 1.00 0.00 O ATOM 38 OD2 ASP A 3 7.599 46.530 26.815 1.00 0.00 O ATOM 0 H ASP A 3 8.268 44.407 24.843 1.00 0.00 H new ATOM 0 HA ASP A 3 5.602 43.508 25.275 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.646 46.268 24.550 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.060 45.903 25.199 1.00 0.00 H new ATOM 43 N GLU A 4 6.530 44.554 22.320 1.00 0.00 N ATOM 44 CA GLU A 4 6.238 44.587 20.916 1.00 0.00 C ATOM 45 C GLU A 4 6.078 43.159 20.367 1.00 0.00 C ATOM 46 O GLU A 4 5.237 42.911 19.496 1.00 0.00 O ATOM 47 CB GLU A 4 7.333 45.358 20.147 1.00 0.00 C ATOM 48 CG GLU A 4 7.585 46.796 20.649 1.00 0.00 C ATOM 49 CD GLU A 4 8.597 46.931 21.806 1.00 0.00 C ATOM 50 OE1 GLU A 4 8.512 46.202 22.821 1.00 0.00 O ATOM 51 OE2 GLU A 4 9.510 47.780 21.695 1.00 0.00 O ATOM 0 H GLU A 4 7.471 44.876 22.548 1.00 0.00 H new ATOM 0 HA GLU A 4 5.295 45.114 20.771 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.265 44.797 20.211 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.057 45.399 19.093 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.936 47.398 19.811 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.634 47.221 20.970 1.00 0.00 H new ATOM 58 N GLU A 5 6.878 42.229 20.899 1.00 0.00 N ATOM 59 CA GLU A 5 6.801 40.812 20.553 1.00 0.00 C ATOM 60 C GLU A 5 5.457 40.265 20.977 1.00 0.00 C ATOM 61 O GLU A 5 4.837 39.482 20.255 1.00 0.00 O ATOM 62 CB GLU A 5 7.894 39.989 21.255 1.00 0.00 C ATOM 63 CG GLU A 5 9.330 40.369 20.927 1.00 0.00 C ATOM 64 CD GLU A 5 9.640 40.320 19.458 1.00 0.00 C ATOM 65 OE1 GLU A 5 9.264 39.327 18.780 1.00 0.00 O ATOM 66 OE2 GLU A 5 10.298 41.247 18.948 1.00 0.00 O ATOM 0 H GLU A 5 7.601 42.443 21.586 1.00 0.00 H new ATOM 0 HA GLU A 5 6.940 40.731 19.475 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.753 40.078 22.332 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.750 38.939 21.001 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.526 41.375 21.299 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.006 39.697 21.456 1.00 0.00 H new ATOM 73 N LEU A 6 5.015 40.696 22.157 1.00 0.00 N ATOM 74 CA LEU A 6 3.731 40.293 22.703 1.00 0.00 C ATOM 75 C LEU A 6 2.613 40.810 21.814 1.00 0.00 C ATOM 76 O LEU A 6 1.690 40.081 21.500 1.00 0.00 O ATOM 77 CB LEU A 6 3.555 40.809 24.142 1.00 0.00 C ATOM 78 CG LEU A 6 2.254 40.402 24.854 1.00 0.00 C ATOM 79 CD1 LEU A 6 2.172 38.892 25.016 1.00 0.00 C ATOM 80 CD2 LEU A 6 2.140 41.090 26.203 1.00 0.00 C ATOM 0 H LEU A 6 5.540 41.333 22.757 1.00 0.00 H new ATOM 0 HA LEU A 6 3.692 39.204 22.733 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.397 40.456 24.738 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.610 41.897 24.125 1.00 0.00 H new ATOM 0 HG LEU A 6 1.417 40.723 24.233 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.243 38.630 25.522 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.196 38.419 24.034 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.018 38.543 25.608 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.212 40.787 26.689 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.986 40.806 26.829 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.140 42.171 26.061 1.00 0.00 H new ATOM 92 N GLU A 7 2.737 42.065 21.389 1.00 0.00 N ATOM 93 CA GLU A 7 1.778 42.698 20.476 1.00 0.00 C ATOM 94 C GLU A 7 1.694 41.882 19.179 1.00 0.00 C ATOM 95 O GLU A 7 0.613 41.538 18.712 1.00 0.00 O ATOM 96 CB GLU A 7 2.236 44.136 20.171 1.00 0.00 C ATOM 97 CG GLU A 7 1.323 44.937 19.252 1.00 0.00 C ATOM 98 CD GLU A 7 -0.037 45.228 19.834 1.00 0.00 C ATOM 99 OE1 GLU A 7 -0.939 44.406 19.685 1.00 0.00 O ATOM 100 OE2 GLU A 7 -0.240 46.333 20.383 1.00 0.00 O ATOM 0 H GLU A 7 3.505 42.676 21.666 1.00 0.00 H new ATOM 0 HA GLU A 7 0.792 42.730 20.939 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.335 44.674 21.114 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.228 44.094 19.722 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.810 45.881 19.006 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.197 44.391 18.317 1.00 0.00 H new ATOM 107 N ALA A 8 2.852 41.537 18.648 1.00 0.00 N ATOM 108 CA ALA A 8 2.953 40.748 17.432 1.00 0.00 C ATOM 109 C ALA A 8 2.309 39.376 17.622 1.00 0.00 C ATOM 110 O ALA A 8 1.525 38.935 16.796 1.00 0.00 O ATOM 111 CB ALA A 8 4.411 40.600 17.021 1.00 0.00 C ATOM 0 H ALA A 8 3.753 41.797 19.049 1.00 0.00 H new ATOM 0 HA ALA A 8 2.417 41.268 16.638 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.473 40.007 16.109 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.841 41.586 16.843 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.964 40.101 17.817 1.00 0.00 H new ATOM 117 N LEU A 9 2.619 38.740 18.744 1.00 0.00 N ATOM 118 CA LEU A 9 2.089 37.419 19.085 1.00 0.00 C ATOM 119 C LEU A 9 0.564 37.476 19.221 1.00 0.00 C ATOM 120 O LEU A 9 -0.146 36.604 18.745 1.00 0.00 O ATOM 121 CB LEU A 9 2.687 36.956 20.410 1.00 0.00 C ATOM 122 CG LEU A 9 2.295 35.558 20.862 1.00 0.00 C ATOM 123 CD1 LEU A 9 2.936 34.501 19.975 1.00 0.00 C ATOM 124 CD2 LEU A 9 2.646 35.350 22.318 1.00 0.00 C ATOM 0 H LEU A 9 3.248 39.125 19.449 1.00 0.00 H new ATOM 0 HA LEU A 9 2.354 36.721 18.291 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.773 37.001 20.332 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.394 37.663 21.186 1.00 0.00 H new ATOM 0 HG LEU A 9 1.214 35.455 20.764 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.640 33.510 20.319 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.607 34.641 18.946 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.021 34.594 20.025 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.357 34.344 22.622 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.720 35.476 22.455 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.114 36.080 22.928 1.00 0.00 H new ATOM 136 N ARG A 10 0.104 38.521 19.860 1.00 0.00 N ATOM 137 CA ARG A 10 -1.308 38.796 20.094 1.00 0.00 C ATOM 138 C ARG A 10 -2.059 38.936 18.761 1.00 0.00 C ATOM 139 O ARG A 10 -3.153 38.399 18.581 1.00 0.00 O ATOM 140 CB ARG A 10 -1.382 40.084 20.921 1.00 0.00 C ATOM 141 CG ARG A 10 -2.749 40.610 21.281 1.00 0.00 C ATOM 142 CD ARG A 10 -2.580 41.856 22.139 1.00 0.00 C ATOM 143 NE ARG A 10 -3.846 42.504 22.466 1.00 0.00 N ATOM 144 CZ ARG A 10 -3.969 43.601 23.218 1.00 0.00 C ATOM 145 NH1 ARG A 10 -2.897 44.134 23.801 1.00 0.00 N ATOM 146 NH2 ARG A 10 -5.163 44.154 23.395 1.00 0.00 N ATOM 0 H ARG A 10 0.718 39.236 20.250 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.784 37.977 20.633 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.832 39.920 21.847 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.856 40.865 20.372 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.313 40.846 20.379 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.315 39.852 21.822 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.068 41.587 23.063 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.940 42.566 21.615 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.700 42.089 22.093 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.981 43.705 23.674 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.992 44.972 24.375 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.986 43.741 22.957 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.257 44.992 23.969 1.00 0.00 H new ATOM 160 N ARG A 11 -1.444 39.607 17.822 1.00 0.00 N ATOM 161 CA ARG A 11 -2.037 39.814 16.512 1.00 0.00 C ATOM 162 C ARG A 11 -1.902 38.565 15.652 1.00 0.00 C ATOM 163 O ARG A 11 -2.756 38.278 14.806 1.00 0.00 O ATOM 164 CB ARG A 11 -1.436 41.048 15.861 1.00 0.00 C ATOM 165 CG ARG A 11 -1.705 42.279 16.696 1.00 0.00 C ATOM 166 CD ARG A 11 -1.054 43.518 16.160 1.00 0.00 C ATOM 167 NE ARG A 11 -1.359 44.654 17.020 1.00 0.00 N ATOM 168 CZ ARG A 11 -1.761 45.857 16.621 1.00 0.00 C ATOM 169 NH1 ARG A 11 -2.042 46.086 15.350 1.00 0.00 N ATOM 170 NH2 ARG A 11 -1.914 46.823 17.518 1.00 0.00 N ATOM 0 H ARG A 11 -0.521 40.027 17.936 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.106 39.994 16.622 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.361 40.914 15.739 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.856 41.180 14.864 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.781 42.440 16.755 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.352 42.103 17.712 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.025 43.375 16.101 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.405 43.714 15.147 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.254 44.513 18.025 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.951 45.336 14.665 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.350 47.013 15.055 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.724 46.639 18.503 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.222 47.749 17.222 1.00 0.00 H new ATOM 184 N GLN A 12 -0.851 37.814 15.894 1.00 0.00 N ATOM 185 CA GLN A 12 -0.646 36.528 15.257 1.00 0.00 C ATOM 186 C GLN A 12 -1.748 35.575 15.723 1.00 0.00 C ATOM 187 O GLN A 12 -2.332 34.844 14.926 1.00 0.00 O ATOM 188 CB GLN A 12 0.726 35.982 15.642 1.00 0.00 C ATOM 189 CG GLN A 12 1.072 34.637 15.043 1.00 0.00 C ATOM 190 CD GLN A 12 2.396 34.133 15.549 1.00 0.00 C ATOM 191 OE1 GLN A 12 2.464 33.436 16.572 1.00 0.00 O ATOM 192 NE2 GLN A 12 3.453 34.494 14.881 1.00 0.00 N ATOM 0 H GLN A 12 -0.109 38.078 16.542 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.687 36.630 14.173 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.485 36.703 15.339 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.777 35.903 16.728 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.290 33.917 15.286 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.104 34.719 13.957 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.356 35.068 14.044 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.379 34.203 15.195 1.00 0.00 H new ATOM 201 N ARG A 13 -2.044 35.634 17.022 1.00 0.00 N ATOM 202 CA ARG A 13 -3.113 34.858 17.649 1.00 0.00 C ATOM 203 C ARG A 13 -4.441 35.184 16.953 1.00 0.00 C ATOM 204 O ARG A 13 -5.277 34.304 16.752 1.00 0.00 O ATOM 205 CB ARG A 13 -3.165 35.204 19.165 1.00 0.00 C ATOM 206 CG ARG A 13 -4.009 34.288 20.084 1.00 0.00 C ATOM 207 CD ARG A 13 -5.503 34.362 19.814 1.00 0.00 C ATOM 208 NE ARG A 13 -6.283 33.600 20.788 1.00 0.00 N ATOM 209 CZ ARG A 13 -7.164 32.643 20.500 1.00 0.00 C ATOM 210 NH1 ARG A 13 -7.223 32.122 19.271 1.00 0.00 N ATOM 211 NH2 ARG A 13 -7.948 32.161 21.457 1.00 0.00 N ATOM 0 H ARG A 13 -1.540 36.231 17.677 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.927 33.789 17.547 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.143 35.208 19.543 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.546 36.221 19.264 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.677 33.257 19.959 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.823 34.559 21.123 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.822 35.404 19.833 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.708 33.984 18.812 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.140 33.820 21.774 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.590 32.457 18.544 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.901 31.390 19.060 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.874 32.523 22.408 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.624 31.428 21.242 1.00 0.00 H new ATOM 225 N LEU A 14 -4.617 36.441 16.578 1.00 0.00 N ATOM 226 CA LEU A 14 -5.815 36.876 15.872 1.00 0.00 C ATOM 227 C LEU A 14 -5.929 36.177 14.506 1.00 0.00 C ATOM 228 O LEU A 14 -7.018 35.782 14.093 1.00 0.00 O ATOM 229 CB LEU A 14 -5.831 38.406 15.713 1.00 0.00 C ATOM 230 CG LEU A 14 -7.049 39.007 14.997 1.00 0.00 C ATOM 231 CD1 LEU A 14 -8.334 38.697 15.750 1.00 0.00 C ATOM 232 CD2 LEU A 14 -6.880 40.507 14.827 1.00 0.00 C ATOM 0 H LEU A 14 -3.940 37.184 16.752 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.682 36.592 16.468 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.763 38.853 16.705 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.934 38.702 15.168 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.119 38.551 14.009 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.180 39.135 15.221 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.466 37.617 15.815 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.278 39.117 16.754 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.753 40.916 14.318 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.779 40.975 15.806 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.987 40.708 14.235 1.00 0.00 H new ATOM 656 N ILE A 43 1.750 -0.921 -1.117 1.00 0.00 N ATOM 657 CA ILE A 43 1.336 -2.297 -0.934 1.00 0.00 C ATOM 658 C ILE A 43 0.337 -2.707 -2.019 1.00 0.00 C ATOM 659 O ILE A 43 0.400 -3.804 -2.539 1.00 0.00 O ATOM 660 CB ILE A 43 0.798 -2.640 0.504 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.538 -1.929 0.829 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.856 -2.297 1.552 1.00 0.00 C ATOM 663 CD1 ILE A 43 -1.131 -2.305 2.174 1.00 0.00 C ATOM 0 HA ILE A 43 2.244 -2.891 -1.035 1.00 0.00 H new ATOM 0 HB ILE A 43 0.595 -3.711 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.379 -0.851 0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.261 -2.163 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.476 -2.537 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.760 -2.875 1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.088 -1.233 1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.065 -1.763 2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.325 -3.377 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.429 -2.045 2.967 1.00 0.00 H new ATOM 675 N LEU A 44 -0.549 -1.789 -2.386 1.00 0.00 N ATOM 676 CA LEU A 44 -1.589 -2.068 -3.374 1.00 0.00 C ATOM 677 C LEU A 44 -1.000 -2.474 -4.723 1.00 0.00 C ATOM 678 O LEU A 44 -1.482 -3.382 -5.342 1.00 0.00 O ATOM 679 CB LEU A 44 -2.534 -0.871 -3.560 1.00 0.00 C ATOM 680 CG LEU A 44 -3.312 -0.396 -2.318 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.166 0.817 -2.653 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.182 -1.509 -1.750 1.00 0.00 C ATOM 0 H LEU A 44 -0.569 -0.840 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.164 -2.907 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.948 -0.032 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.256 -1.127 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.582 -0.115 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.708 1.138 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.526 1.628 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.877 0.556 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.718 -1.141 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.899 -1.832 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.553 -2.352 -1.463 1.00 0.00 H new ATOM 694 N ALA A 45 0.066 -1.821 -5.138 1.00 0.00 N ATOM 695 CA ALA A 45 0.702 -2.096 -6.430 1.00 0.00 C ATOM 696 C ALA A 45 1.318 -3.498 -6.511 1.00 0.00 C ATOM 697 O ALA A 45 1.451 -4.067 -7.597 1.00 0.00 O ATOM 698 CB ALA A 45 1.756 -1.043 -6.731 1.00 0.00 C ATOM 0 H ALA A 45 0.522 -1.085 -4.598 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.086 -2.056 -7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.221 -1.258 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.288 -0.059 -6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.516 -1.055 -5.950 1.00 0.00 H new ATOM 704 N GLN A 46 1.685 -4.052 -5.383 1.00 0.00 N ATOM 705 CA GLN A 46 2.311 -5.366 -5.363 1.00 0.00 C ATOM 706 C GLN A 46 1.286 -6.468 -5.080 1.00 0.00 C ATOM 707 O GLN A 46 1.512 -7.648 -5.367 1.00 0.00 O ATOM 708 CB GLN A 46 3.497 -5.391 -4.382 1.00 0.00 C ATOM 709 CG GLN A 46 3.154 -5.024 -2.953 1.00 0.00 C ATOM 710 CD GLN A 46 4.378 -4.835 -2.089 1.00 0.00 C ATOM 711 OE1 GLN A 46 4.881 -5.780 -1.485 1.00 0.00 O ATOM 712 NE2 GLN A 46 4.851 -3.620 -1.989 1.00 0.00 N ATOM 0 H GLN A 46 1.565 -3.622 -4.466 1.00 0.00 H new ATOM 0 HA GLN A 46 2.715 -5.571 -6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.934 -6.389 -4.390 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.263 -4.705 -4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.567 -4.106 -2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.527 -5.805 -2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.411 -2.857 -2.504 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.660 -3.435 -1.397 1.00 0.00 H new ATOM 721 N VAL A 47 0.166 -6.071 -4.529 1.00 0.00 N ATOM 722 CA VAL A 47 -0.913 -6.989 -4.217 1.00 0.00 C ATOM 723 C VAL A 47 -1.905 -7.032 -5.349 1.00 0.00 C ATOM 724 O VAL A 47 -2.329 -8.098 -5.770 1.00 0.00 O ATOM 725 CB VAL A 47 -1.608 -6.612 -2.878 1.00 0.00 C ATOM 726 CG1 VAL A 47 -2.782 -7.522 -2.582 1.00 0.00 C ATOM 727 CG2 VAL A 47 -0.616 -6.675 -1.737 1.00 0.00 C ATOM 0 H VAL A 47 -0.028 -5.101 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.487 -7.985 -4.093 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.985 -5.594 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.242 -7.227 -1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.516 -7.442 -3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.434 -8.553 -2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.116 -6.409 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.216 -7.686 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.199 -5.976 -1.924 1.00 0.00 H new ATOM 737 N LEU A 48 -2.245 -5.900 -5.850 1.00 0.00 N ATOM 738 CA LEU A 48 -3.166 -5.805 -6.930 1.00 0.00 C ATOM 739 C LEU A 48 -2.420 -5.841 -8.222 1.00 0.00 C ATOM 740 O LEU A 48 -1.424 -5.140 -8.395 1.00 0.00 O ATOM 741 CB LEU A 48 -3.946 -4.492 -6.868 1.00 0.00 C ATOM 742 CG LEU A 48 -4.919 -4.296 -5.715 1.00 0.00 C ATOM 743 CD1 LEU A 48 -5.389 -2.852 -5.676 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.109 -5.194 -5.908 1.00 0.00 C ATOM 0 H LEU A 48 -1.890 -5.003 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.860 -6.642 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.225 -3.675 -6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.505 -4.391 -7.798 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.417 -4.540 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.085 -2.718 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.531 -2.194 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.888 -2.606 -6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.807 -5.055 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.603 -4.946 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.780 -6.233 -5.934 1.00 0.00 H new ATOM 756 N ASP A 49 -2.877 -6.657 -9.112 1.00 0.00 N ATOM 757 CA ASP A 49 -2.379 -6.668 -10.465 1.00 0.00 C ATOM 758 C ASP A 49 -2.730 -5.326 -11.107 1.00 0.00 C ATOM 759 O ASP A 49 -3.615 -4.601 -10.616 1.00 0.00 O ATOM 760 CB ASP A 49 -3.025 -7.819 -11.262 1.00 0.00 C ATOM 761 CG ASP A 49 -2.527 -7.910 -12.691 1.00 0.00 C ATOM 762 OD1 ASP A 49 -1.511 -8.580 -12.940 1.00 0.00 O ATOM 763 OD2 ASP A 49 -3.143 -7.312 -13.593 1.00 0.00 O ATOM 0 H ASP A 49 -3.610 -7.342 -8.930 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.300 -6.819 -10.467 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.824 -8.762 -10.753 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.107 -7.685 -11.269 1.00 0.00 H new ATOM 768 N GLN A 50 -2.054 -4.978 -12.151 1.00 0.00 N ATOM 769 CA GLN A 50 -2.309 -3.731 -12.870 1.00 0.00 C ATOM 770 C GLN A 50 -3.760 -3.666 -13.377 1.00 0.00 C ATOM 771 O GLN A 50 -4.388 -2.599 -13.350 1.00 0.00 O ATOM 772 CB GLN A 50 -1.308 -3.549 -14.021 1.00 0.00 C ATOM 773 CG GLN A 50 -1.564 -2.325 -14.895 1.00 0.00 C ATOM 774 CD GLN A 50 -1.568 -1.009 -14.128 1.00 0.00 C ATOM 775 OE1 GLN A 50 -0.868 -0.839 -13.121 1.00 0.00 O ATOM 776 NE2 GLN A 50 -2.381 -0.090 -14.575 1.00 0.00 N ATOM 0 H GLN A 50 -1.301 -5.540 -12.548 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.169 -2.906 -12.171 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.303 -3.478 -13.604 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.330 -4.439 -14.649 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.801 -2.279 -15.672 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.524 -2.444 -15.398 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.942 -0.267 -15.408 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.455 0.805 -14.091 1.00 0.00 H new ATOM 785 N SER A 51 -4.307 -4.817 -13.748 1.00 0.00 N ATOM 786 CA SER A 51 -5.674 -4.884 -14.248 1.00 0.00 C ATOM 787 C SER A 51 -6.635 -4.552 -13.100 1.00 0.00 C ATOM 788 O SER A 51 -7.653 -3.887 -13.278 1.00 0.00 O ATOM 789 CB SER A 51 -5.961 -6.293 -14.789 1.00 0.00 C ATOM 790 OG SER A 51 -4.849 -6.772 -15.544 1.00 0.00 O ATOM 0 H SER A 51 -3.826 -5.716 -13.712 1.00 0.00 H new ATOM 0 HA SER A 51 -5.811 -4.167 -15.058 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.167 -6.972 -13.962 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.853 -6.274 -15.415 1.00 0.00 H new ATOM 0 HG SER A 51 -4.223 -7.233 -14.947 1.00 0.00 H new ATOM 796 N ALA A 52 -6.244 -4.962 -11.906 1.00 0.00 N ATOM 797 CA ALA A 52 -7.033 -4.747 -10.729 1.00 0.00 C ATOM 798 C ALA A 52 -7.010 -3.273 -10.333 1.00 0.00 C ATOM 799 O ALA A 52 -8.001 -2.756 -9.858 1.00 0.00 O ATOM 800 CB ALA A 52 -6.561 -5.634 -9.595 1.00 0.00 C ATOM 0 H ALA A 52 -5.367 -5.454 -11.736 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.066 -5.018 -10.949 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.174 -5.453 -8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.649 -6.680 -9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.520 -5.408 -9.366 1.00 0.00 H new ATOM 806 N ARG A 53 -5.871 -2.596 -10.547 1.00 0.00 N ATOM 807 CA ARG A 53 -5.783 -1.144 -10.272 1.00 0.00 C ATOM 808 C ARG A 53 -6.752 -0.367 -11.136 1.00 0.00 C ATOM 809 O ARG A 53 -7.465 0.516 -10.650 1.00 0.00 O ATOM 810 CB ARG A 53 -4.371 -0.577 -10.470 1.00 0.00 C ATOM 811 CG ARG A 53 -3.591 -0.361 -9.184 1.00 0.00 C ATOM 812 CD ARG A 53 -3.179 -1.659 -8.523 1.00 0.00 C ATOM 813 NE ARG A 53 -2.204 -2.439 -9.321 1.00 0.00 N ATOM 814 CZ ARG A 53 -0.915 -2.094 -9.598 1.00 0.00 C ATOM 815 NH1 ARG A 53 -0.446 -0.875 -9.298 1.00 0.00 N ATOM 816 NH2 ARG A 53 -0.108 -2.983 -10.178 1.00 0.00 N ATOM 0 H ARG A 53 -5.012 -3.015 -10.902 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.045 -1.028 -9.220 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.808 -1.255 -11.112 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.446 0.373 -10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.701 0.230 -9.399 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.198 0.219 -8.489 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.747 -1.440 -7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.066 -2.268 -8.350 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.532 -3.326 -9.703 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.057 -0.188 -8.855 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.522 -0.634 -9.512 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.457 -3.913 -10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.858 -2.733 -10.389 1.00 0.00 H new ATOM 830 N ALA A 54 -6.793 -0.717 -12.409 1.00 0.00 N ATOM 831 CA ALA A 54 -7.692 -0.072 -13.339 1.00 0.00 C ATOM 832 C ALA A 54 -9.133 -0.349 -12.938 1.00 0.00 C ATOM 833 O ALA A 54 -9.974 0.550 -12.939 1.00 0.00 O ATOM 834 CB ALA A 54 -7.421 -0.552 -14.755 1.00 0.00 C ATOM 0 H ALA A 54 -6.211 -1.447 -12.820 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.524 1.005 -13.311 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.106 -0.058 -15.444 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.394 -0.313 -15.030 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.569 -1.631 -14.808 1.00 0.00 H new ATOM 840 N ARG A 55 -9.387 -1.584 -12.534 1.00 0.00 N ATOM 841 CA ARG A 55 -10.704 -2.013 -12.114 1.00 0.00 C ATOM 842 C ARG A 55 -11.123 -1.238 -10.848 1.00 0.00 C ATOM 843 O ARG A 55 -12.259 -0.791 -10.725 1.00 0.00 O ATOM 844 CB ARG A 55 -10.673 -3.511 -11.819 1.00 0.00 C ATOM 845 CG ARG A 55 -12.029 -4.176 -11.807 1.00 0.00 C ATOM 846 CD ARG A 55 -12.591 -4.228 -13.214 1.00 0.00 C ATOM 847 NE ARG A 55 -13.897 -4.870 -13.283 1.00 0.00 N ATOM 848 CZ ARG A 55 -14.243 -5.792 -14.189 1.00 0.00 C ATOM 849 NH1 ARG A 55 -13.325 -6.339 -15.001 1.00 0.00 N ATOM 850 NH2 ARG A 55 -15.504 -6.187 -14.255 1.00 0.00 N ATOM 0 H ARG A 55 -8.679 -2.317 -12.490 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.425 -1.814 -12.907 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.048 -4.002 -12.565 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.197 -3.668 -10.851 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.945 -5.185 -11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.708 -3.626 -11.155 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.670 -3.214 -13.605 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.894 -4.765 -13.858 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.597 -4.598 -12.592 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.348 -6.053 -14.932 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.604 -7.041 -15.687 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.197 -5.789 -13.621 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.783 -6.889 -14.940 1.00 0.00 H new ATOM 864 N LEU A 56 -10.169 -1.068 -9.943 1.00 0.00 N ATOM 865 CA LEU A 56 -10.347 -0.357 -8.675 1.00 0.00 C ATOM 866 C LEU A 56 -10.803 1.077 -8.984 1.00 0.00 C ATOM 867 O LEU A 56 -11.812 1.564 -8.449 1.00 0.00 O ATOM 868 CB LEU A 56 -8.978 -0.314 -7.938 1.00 0.00 C ATOM 869 CG LEU A 56 -8.955 -0.390 -6.391 1.00 0.00 C ATOM 870 CD1 LEU A 56 -9.836 0.646 -5.728 1.00 0.00 C ATOM 871 CD2 LEU A 56 -9.300 -1.781 -5.914 1.00 0.00 C ATOM 0 H LEU A 56 -9.223 -1.429 -10.070 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.088 -0.857 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.374 -1.139 -8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.476 0.609 -8.230 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.934 -0.159 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.774 0.537 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.502 1.644 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.868 0.504 -6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.277 -1.808 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.298 -2.048 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.575 -2.492 -6.310 1.00 0.00 H new ATOM 883 N SER A 57 -10.082 1.714 -9.895 1.00 0.00 N ATOM 884 CA SER A 57 -10.338 3.081 -10.293 1.00 0.00 C ATOM 885 C SER A 57 -11.715 3.214 -10.973 1.00 0.00 C ATOM 886 O SER A 57 -12.359 4.259 -10.873 1.00 0.00 O ATOM 887 CB SER A 57 -9.210 3.569 -11.220 1.00 0.00 C ATOM 888 OG SER A 57 -9.303 4.967 -11.496 1.00 0.00 O ATOM 0 H SER A 57 -9.294 1.286 -10.382 1.00 0.00 H new ATOM 0 HA SER A 57 -10.357 3.709 -9.402 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.246 3.355 -10.759 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.246 3.013 -12.157 1.00 0.00 H new ATOM 0 HG SER A 57 -8.567 5.234 -12.086 1.00 0.00 H new ATOM 894 N ASN A 58 -12.169 2.152 -11.637 1.00 0.00 N ATOM 895 CA ASN A 58 -13.489 2.151 -12.292 1.00 0.00 C ATOM 896 C ASN A 58 -14.593 2.304 -11.261 1.00 0.00 C ATOM 897 O ASN A 58 -15.563 3.037 -11.479 1.00 0.00 O ATOM 898 CB ASN A 58 -13.744 0.867 -13.111 1.00 0.00 C ATOM 899 CG ASN A 58 -12.803 0.654 -14.290 1.00 0.00 C ATOM 900 OD1 ASN A 58 -12.512 -0.487 -14.655 1.00 0.00 O ATOM 901 ND2 ASN A 58 -12.338 1.720 -14.908 1.00 0.00 N ATOM 0 H ASN A 58 -11.649 1.281 -11.739 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.493 2.997 -12.979 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.666 0.008 -12.444 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.768 0.890 -13.483 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.719 1.614 -15.712 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.597 2.651 -14.583 1.00 0.00 H new ATOM 908 N LEU A 59 -14.439 1.627 -10.131 1.00 0.00 N ATOM 909 CA LEU A 59 -15.410 1.700 -9.056 1.00 0.00 C ATOM 910 C LEU A 59 -15.348 3.045 -8.343 1.00 0.00 C ATOM 911 O LEU A 59 -16.369 3.563 -7.891 1.00 0.00 O ATOM 912 CB LEU A 59 -15.260 0.533 -8.059 1.00 0.00 C ATOM 913 CG LEU A 59 -15.893 -0.830 -8.448 1.00 0.00 C ATOM 914 CD1 LEU A 59 -17.395 -0.701 -8.655 1.00 0.00 C ATOM 915 CD2 LEU A 59 -15.235 -1.447 -9.677 1.00 0.00 C ATOM 0 H LEU A 59 -13.644 1.018 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 59 -16.396 1.607 -9.512 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -14.196 0.372 -7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -15.693 0.845 -7.109 1.00 0.00 H new ATOM 0 HG LEU A 59 -15.714 -1.505 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -17.810 -1.672 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -17.861 -0.352 -7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.592 0.014 -9.454 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.714 -2.399 -9.907 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.344 -0.772 -10.526 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -14.176 -1.613 -9.478 1.00 0.00 H new ATOM 927 N ALA A 60 -14.156 3.620 -8.283 1.00 0.00 N ATOM 928 CA ALA A 60 -13.949 4.939 -7.663 1.00 0.00 C ATOM 929 C ALA A 60 -14.746 6.007 -8.400 1.00 0.00 C ATOM 930 O ALA A 60 -15.298 6.944 -7.794 1.00 0.00 O ATOM 931 CB ALA A 60 -12.471 5.296 -7.676 1.00 0.00 C ATOM 0 H ALA A 60 -13.306 3.198 -8.656 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.297 4.894 -6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.329 6.273 -7.215 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.911 4.546 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.113 5.324 -8.705 1.00 0.00 H new ATOM 937 N LEU A 61 -14.833 5.835 -9.704 1.00 0.00 N ATOM 938 CA LEU A 61 -15.530 6.758 -10.572 1.00 0.00 C ATOM 939 C LEU A 61 -17.036 6.695 -10.377 1.00 0.00 C ATOM 940 O LEU A 61 -17.735 7.659 -10.661 1.00 0.00 O ATOM 941 CB LEU A 61 -15.174 6.500 -12.035 1.00 0.00 C ATOM 942 CG LEU A 61 -13.718 6.749 -12.434 1.00 0.00 C ATOM 943 CD1 LEU A 61 -13.499 6.375 -13.887 1.00 0.00 C ATOM 944 CD2 LEU A 61 -13.339 8.207 -12.200 1.00 0.00 C ATOM 0 H LEU A 61 -14.417 5.043 -10.194 1.00 0.00 H new ATOM 0 HA LEU A 61 -15.204 7.762 -10.301 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -15.420 5.464 -12.269 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.811 7.128 -12.658 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.079 6.123 -11.811 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.459 6.557 -14.157 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.731 5.320 -14.030 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -14.149 6.979 -14.520 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.300 8.364 -12.490 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.984 8.851 -12.798 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -13.462 8.450 -11.145 1.00 0.00 H new ATOM 956 N VAL A 62 -17.540 5.580 -9.887 1.00 0.00 N ATOM 957 CA VAL A 62 -18.970 5.473 -9.683 1.00 0.00 C ATOM 958 C VAL A 62 -19.377 5.757 -8.239 1.00 0.00 C ATOM 959 O VAL A 62 -20.226 6.609 -7.998 1.00 0.00 O ATOM 960 CB VAL A 62 -19.603 4.147 -10.224 1.00 0.00 C ATOM 961 CG1 VAL A 62 -19.458 4.065 -11.733 1.00 0.00 C ATOM 962 CG2 VAL A 62 -19.002 2.909 -9.578 1.00 0.00 C ATOM 0 H VAL A 62 -16.998 4.756 -9.629 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.396 6.263 -10.301 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.660 4.172 -9.960 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.903 3.137 -12.091 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.965 4.913 -12.194 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -18.401 4.086 -11.999 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -19.476 2.018 -9.989 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.931 2.876 -9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -19.167 2.944 -8.501 1.00 0.00 H new ATOM 972 N LYS A 63 -18.747 5.092 -7.276 1.00 0.00 N ATOM 973 CA LYS A 63 -19.061 5.278 -5.856 1.00 0.00 C ATOM 974 C LYS A 63 -17.800 5.060 -5.024 1.00 0.00 C ATOM 975 O LYS A 63 -17.369 3.916 -4.851 1.00 0.00 O ATOM 976 CB LYS A 63 -20.173 4.305 -5.366 1.00 0.00 C ATOM 977 CG LYS A 63 -21.541 4.470 -6.041 1.00 0.00 C ATOM 978 CD LYS A 63 -22.605 3.560 -5.425 1.00 0.00 C ATOM 979 CE LYS A 63 -22.263 2.084 -5.569 1.00 0.00 C ATOM 980 NZ LYS A 63 -23.276 1.208 -4.934 1.00 0.00 N ATOM 0 H LYS A 63 -18.008 4.412 -7.452 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.432 6.296 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.831 3.282 -5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -20.299 4.437 -4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.862 5.508 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -21.448 4.249 -7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -22.718 3.802 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -23.566 3.755 -5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -22.181 1.834 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -21.288 1.894 -5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -23.001 0.213 -5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -23.337 1.427 -3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -24.202 1.369 -5.379 1.00 0.00 H new ATOM 994 N PRO A 64 -17.216 6.143 -4.452 1.00 0.00 N ATOM 995 CA PRO A 64 -15.944 6.064 -3.709 1.00 0.00 C ATOM 996 C PRO A 64 -16.090 5.284 -2.409 1.00 0.00 C ATOM 997 O PRO A 64 -15.118 4.780 -1.848 1.00 0.00 O ATOM 998 CB PRO A 64 -15.595 7.529 -3.421 1.00 0.00 C ATOM 999 CG PRO A 64 -16.897 8.252 -3.468 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.758 7.518 -4.459 1.00 0.00 C ATOM 0 HA PRO A 64 -15.174 5.540 -4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -15.119 7.637 -2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.898 7.922 -4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.367 8.270 -2.484 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.754 9.289 -3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.808 7.535 -4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.697 7.966 -5.451 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.316 5.180 -1.945 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.639 4.433 -0.753 1.00 0.00 C ATOM 1010 C GLU A 65 -17.292 2.959 -0.897 1.00 0.00 C ATOM 1011 O GLU A 65 -16.880 2.315 0.065 1.00 0.00 O ATOM 1012 CB GLU A 65 -19.110 4.616 -0.380 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.404 5.854 0.473 1.00 0.00 C ATOM 1014 CD GLU A 65 -18.840 7.138 -0.083 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -19.425 7.703 -1.025 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -17.808 7.626 0.449 1.00 0.00 O ATOM 0 H GLU A 65 -18.123 5.616 -2.390 1.00 0.00 H new ATOM 0 HA GLU A 65 -17.028 4.830 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.699 4.674 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -19.447 3.731 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -20.484 5.960 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -19.000 5.696 1.473 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.462 2.412 -2.083 1.00 0.00 N ATOM 1024 CA LYS A 66 -17.125 1.015 -2.279 1.00 0.00 C ATOM 1025 C LYS A 66 -15.621 0.868 -2.468 1.00 0.00 C ATOM 1026 O LYS A 66 -15.028 -0.147 -2.094 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.897 0.372 -3.445 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.402 0.682 -3.472 1.00 0.00 C ATOM 1029 CD LYS A 66 -20.109 0.467 -2.122 1.00 0.00 C ATOM 1030 CE LYS A 66 -20.007 -0.955 -1.593 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.758 -1.114 -0.316 1.00 0.00 N ATOM 0 H LYS A 66 -17.821 2.896 -2.906 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.430 0.476 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.455 0.707 -4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.764 -0.709 -3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.544 1.717 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.879 0.054 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.682 1.149 -1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.161 0.730 -2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.398 -1.650 -2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.960 -1.212 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.470 -1.999 0.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.551 -0.311 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.778 -1.144 -0.515 1.00 0.00 H new ATOM 1045 N THR A 67 -15.019 1.906 -3.031 1.00 0.00 N ATOM 1046 CA THR A 67 -13.602 1.955 -3.304 1.00 0.00 C ATOM 1047 C THR A 67 -12.809 1.880 -2.005 1.00 0.00 C ATOM 1048 O THR A 67 -11.965 1.021 -1.846 1.00 0.00 O ATOM 1049 CB THR A 67 -13.298 3.282 -3.975 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.306 3.522 -4.962 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.936 3.266 -4.641 1.00 0.00 C ATOM 0 H THR A 67 -15.517 2.750 -3.314 1.00 0.00 H new ATOM 0 HA THR A 67 -13.325 1.115 -3.941 1.00 0.00 H new ATOM 0 HB THR A 67 -13.291 4.069 -3.221 1.00 0.00 H new ATOM 0 HG1 THR A 67 -14.100 3.009 -5.771 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.750 4.231 -5.112 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.167 3.073 -3.893 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.910 2.482 -5.398 1.00 0.00 H new ATOM 1059 N LYS A 68 -13.148 2.746 -1.058 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.460 2.797 0.229 1.00 0.00 C ATOM 1061 C LYS A 68 -12.585 1.477 0.977 1.00 0.00 C ATOM 1062 O LYS A 68 -11.678 1.076 1.709 1.00 0.00 O ATOM 1063 CB LYS A 68 -12.948 3.990 1.061 1.00 0.00 C ATOM 1064 CG LYS A 68 -14.443 4.004 1.324 1.00 0.00 C ATOM 1065 CD LYS A 68 -14.912 5.330 1.901 1.00 0.00 C ATOM 1066 CE LYS A 68 -14.640 6.491 0.942 1.00 0.00 C ATOM 1067 NZ LYS A 68 -15.285 7.740 1.380 1.00 0.00 N ATOM 0 H LYS A 68 -13.900 3.428 -1.157 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.397 2.949 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.424 3.989 2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.673 4.911 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.976 3.806 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.696 3.199 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.979 5.277 2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.406 5.514 2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.564 6.649 0.862 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.999 6.229 -0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.820 8.550 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.291 7.723 1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.200 7.831 2.413 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.698 0.794 0.753 1.00 0.00 N ATOM 1082 CA ALA A 69 -13.937 -0.490 1.353 1.00 0.00 C ATOM 1083 C ALA A 69 -12.983 -1.539 0.772 1.00 0.00 C ATOM 1084 O ALA A 69 -12.326 -2.265 1.525 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.388 -0.902 1.181 1.00 0.00 C ATOM 0 H ALA A 69 -14.453 1.122 0.150 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.741 -0.416 2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.547 -1.877 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.034 -0.165 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.626 -0.960 0.119 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.877 -1.607 -0.572 1.00 0.00 N ATOM 1092 CA VAL A 70 -11.941 -2.545 -1.179 1.00 0.00 C ATOM 1093 C VAL A 70 -10.489 -2.181 -0.849 1.00 0.00 C ATOM 1094 O VAL A 70 -9.699 -3.061 -0.532 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.143 -2.785 -2.721 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.497 -3.394 -3.000 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -11.980 -1.518 -3.529 1.00 0.00 C ATOM 0 H VAL A 70 -13.413 -1.040 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.174 -3.506 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.362 -3.480 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.612 -3.550 -4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.579 -4.350 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.278 -2.722 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.129 -1.739 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.716 -0.782 -3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.977 -1.118 -3.380 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.172 -0.878 -0.864 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.834 -0.376 -0.518 1.00 0.00 C ATOM 1109 C GLU A 71 -8.394 -0.911 0.847 1.00 0.00 C ATOM 1110 O GLU A 71 -7.302 -1.476 0.990 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.827 1.165 -0.490 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.983 1.849 -1.837 1.00 0.00 C ATOM 1113 CD GLU A 71 -9.073 3.356 -1.698 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -8.041 4.010 -1.457 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -10.185 3.929 -1.796 1.00 0.00 O ATOM 0 H GLU A 71 -10.834 -0.144 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.136 -0.725 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.632 1.502 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.891 1.498 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.137 1.593 -2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.879 1.476 -2.332 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.270 -0.755 1.829 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.031 -1.193 3.181 1.00 0.00 C ATOM 1124 C ASN A 72 -8.855 -2.719 3.234 1.00 0.00 C ATOM 1125 O ASN A 72 -7.943 -3.234 3.896 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.225 -0.755 4.036 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.025 -0.891 5.529 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -9.320 -1.761 6.022 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -10.635 -0.011 6.261 1.00 0.00 N ATOM 0 H ASN A 72 -10.180 -0.312 1.698 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.113 -0.747 3.563 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.453 0.286 3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.096 -1.343 3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.533 -0.033 7.276 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.216 0.703 5.822 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.686 -3.430 2.485 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.662 -4.885 2.487 1.00 0.00 C ATOM 1138 C TYR A 73 -8.335 -5.423 1.920 1.00 0.00 C ATOM 1139 O TYR A 73 -7.809 -6.426 2.406 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.861 -5.462 1.716 1.00 0.00 C ATOM 1141 CG TYR A 73 -11.059 -6.953 1.930 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -11.843 -7.416 2.979 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.458 -7.893 1.101 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -12.023 -8.767 3.191 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -10.632 -9.242 1.309 1.00 0.00 C ATOM 1146 CZ TYR A 73 -11.415 -9.674 2.355 1.00 0.00 C ATOM 1147 OH TYR A 73 -11.589 -11.031 2.565 1.00 0.00 O ATOM 0 H TYR A 73 -10.387 -3.021 1.867 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.740 -5.213 3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.766 -4.936 2.021 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.724 -5.271 0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.319 -6.707 3.639 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.843 -7.558 0.279 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.638 -9.111 4.009 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.157 -9.958 0.655 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.341 -11.174 3.177 1.00 0.00 H new ATOM 1157 N LEU A 74 -7.792 -4.757 0.907 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.497 -5.160 0.353 1.00 0.00 C ATOM 1159 C LEU A 74 -5.377 -4.994 1.361 1.00 0.00 C ATOM 1160 O LEU A 74 -4.452 -5.819 1.402 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.142 -4.494 -0.984 1.00 0.00 C ATOM 1162 CG LEU A 74 -6.745 -5.099 -2.276 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.359 -6.554 -2.428 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.247 -4.949 -2.349 1.00 0.00 C ATOM 0 H LEU A 74 -8.217 -3.947 0.456 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.609 -6.221 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.448 -3.449 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.057 -4.503 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.323 -4.529 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.796 -6.953 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.273 -6.639 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.729 -7.120 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.612 -5.391 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.705 -5.456 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.509 -3.891 -2.324 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.456 -3.928 2.169 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.488 -3.698 3.250 1.00 0.00 C ATOM 1178 C ILE A 75 -4.492 -4.927 4.152 1.00 0.00 C ATOM 1179 O ILE A 75 -3.447 -5.483 4.487 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.896 -2.495 4.143 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -5.098 -1.227 3.319 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.853 -2.260 5.242 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.633 -0.070 4.132 1.00 0.00 C ATOM 0 H ILE A 75 -6.179 -3.212 2.095 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.516 -3.500 2.797 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.849 -2.741 4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.148 -0.938 2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.787 -1.438 2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.157 -1.413 5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.774 -3.151 5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.886 -2.049 4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.754 0.801 3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.598 -0.342 4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.933 0.166 4.934 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.697 -5.344 4.512 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.918 -6.495 5.363 1.00 0.00 C ATOM 1197 C GLN A 76 -5.394 -7.763 4.709 1.00 0.00 C ATOM 1198 O GLN A 76 -4.724 -8.554 5.351 1.00 0.00 O ATOM 1199 CB GLN A 76 -7.395 -6.637 5.677 1.00 0.00 C ATOM 1200 CG GLN A 76 -7.976 -5.437 6.385 1.00 0.00 C ATOM 1201 CD GLN A 76 -9.456 -5.560 6.601 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -10.251 -5.158 5.771 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -9.838 -6.107 7.716 1.00 0.00 N ATOM 0 H GLN A 76 -6.557 -4.884 4.215 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.371 -6.342 6.293 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.942 -6.802 4.749 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.544 -7.522 6.296 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.480 -5.312 7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.770 -4.540 5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.144 -6.433 8.389 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.832 -6.211 7.919 1.00 0.00 H new ATOM 1212 N MET A 77 -5.670 -7.922 3.429 1.00 0.00 N ATOM 1213 CA MET A 77 -5.229 -9.087 2.659 1.00 0.00 C ATOM 1214 C MET A 77 -3.695 -9.190 2.686 1.00 0.00 C ATOM 1215 O MET A 77 -3.132 -10.274 2.939 1.00 0.00 O ATOM 1216 CB MET A 77 -5.737 -8.980 1.213 1.00 0.00 C ATOM 1217 CG MET A 77 -5.435 -10.184 0.330 1.00 0.00 C ATOM 1218 SD MET A 77 -6.227 -11.701 0.910 1.00 0.00 S ATOM 1219 CE MET A 77 -5.723 -12.850 -0.374 1.00 0.00 C ATOM 0 H MET A 77 -6.208 -7.248 2.884 1.00 0.00 H new ATOM 0 HA MET A 77 -5.643 -9.990 3.109 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.816 -8.826 1.234 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.298 -8.094 0.755 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.766 -9.974 -0.687 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.356 -10.336 0.289 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.133 -13.837 -0.161 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.094 -12.504 -1.338 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.635 -12.908 -0.404 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.032 -8.056 2.470 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.572 -7.976 2.520 1.00 0.00 C ATOM 1231 C ALA A 78 -1.070 -8.238 3.934 1.00 0.00 C ATOM 1232 O ALA A 78 -0.040 -8.880 4.143 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.107 -6.604 2.055 1.00 0.00 C ATOM 0 H ALA A 78 -3.489 -7.169 2.256 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.163 -8.738 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.019 -6.555 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.439 -6.435 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.529 -5.837 2.705 1.00 0.00 H new ATOM 1353 N LYS A 86 -0.798 -11.953 -7.468 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.508 -10.720 -7.446 1.00 0.00 C ATOM 1355 C LYS A 86 -2.984 -11.019 -7.377 1.00 0.00 C ATOM 1356 O LYS A 86 -3.434 -12.109 -7.790 1.00 0.00 O ATOM 1357 CB LYS A 86 -1.287 -9.874 -8.706 1.00 0.00 C ATOM 1358 CG LYS A 86 0.104 -9.336 -8.969 1.00 0.00 C ATOM 1359 CD LYS A 86 0.999 -10.345 -9.643 1.00 0.00 C ATOM 1360 CE LYS A 86 2.322 -9.715 -10.039 1.00 0.00 C ATOM 1361 NZ LYS A 86 2.145 -8.540 -10.936 1.00 0.00 N ATOM 0 HA LYS A 86 -1.142 -10.161 -6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.580 -10.475 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.970 -9.026 -8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.033 -8.445 -9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.555 -9.029 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.178 -11.185 -8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.502 -10.744 -10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.857 -9.406 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.941 -10.460 -10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.879 -8.552 -11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.206 -8.581 -11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.227 -7.664 -10.381 1.00 0.00 H new ATOM 1375 N VAL A 87 -3.721 -10.096 -6.860 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.136 -10.165 -6.876 1.00 0.00 C ATOM 1377 C VAL A 87 -5.570 -9.699 -8.247 1.00 0.00 C ATOM 1378 O VAL A 87 -5.295 -8.558 -8.643 1.00 0.00 O ATOM 1379 CB VAL A 87 -5.773 -9.272 -5.777 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.292 -9.330 -5.836 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.291 -9.697 -4.403 1.00 0.00 C ATOM 0 H VAL A 87 -3.348 -9.261 -6.408 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.465 -11.184 -6.671 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.462 -8.244 -5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.711 -8.695 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.632 -8.979 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.623 -10.357 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.747 -9.061 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.573 -10.735 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.206 -9.601 -4.352 1.00 0.00 H new ATOM 1391 N SER A 88 -6.148 -10.595 -8.982 1.00 0.00 N ATOM 1392 CA SER A 88 -6.611 -10.333 -10.303 1.00 0.00 C ATOM 1393 C SER A 88 -7.962 -9.615 -10.241 1.00 0.00 C ATOM 1394 O SER A 88 -8.486 -9.370 -9.142 1.00 0.00 O ATOM 1395 CB SER A 88 -6.724 -11.673 -11.012 1.00 0.00 C ATOM 1396 OG SER A 88 -7.467 -12.588 -10.205 1.00 0.00 O ATOM 0 H SER A 88 -6.314 -11.552 -8.670 1.00 0.00 H new ATOM 0 HA SER A 88 -5.925 -9.685 -10.848 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.215 -11.544 -11.977 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.730 -12.074 -11.211 1.00 0.00 H new ATOM 0 HG SER A 88 -7.538 -13.449 -10.668 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.537 -9.302 -11.391 1.00 0.00 N ATOM 1403 CA GLU A 89 -9.809 -8.614 -11.424 1.00 0.00 C ATOM 1404 C GLU A 89 -10.894 -9.481 -10.821 1.00 0.00 C ATOM 1405 O GLU A 89 -11.661 -9.015 -10.010 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.202 -8.220 -12.829 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.288 -7.253 -13.505 1.00 0.00 C ATOM 1408 CD GLU A 89 -9.790 -6.947 -14.878 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -10.653 -6.075 -15.015 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -9.360 -7.607 -15.842 1.00 0.00 O ATOM 0 H GLU A 89 -8.142 -9.514 -12.307 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.696 -7.703 -10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.262 -9.122 -13.437 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.202 -7.788 -12.800 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.221 -6.335 -12.921 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.282 -7.670 -13.561 1.00 0.00 H new ATOM 1417 N GLN A 90 -10.914 -10.759 -11.191 1.00 0.00 N ATOM 1418 CA GLN A 90 -11.906 -11.701 -10.657 1.00 0.00 C ATOM 1419 C GLN A 90 -11.767 -11.830 -9.140 1.00 0.00 C ATOM 1420 O GLN A 90 -12.763 -11.978 -8.420 1.00 0.00 O ATOM 1421 CB GLN A 90 -11.783 -13.079 -11.318 1.00 0.00 C ATOM 1422 CG GLN A 90 -12.067 -13.113 -12.824 1.00 0.00 C ATOM 1423 CD GLN A 90 -13.510 -12.767 -13.211 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -14.197 -11.981 -12.558 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -13.989 -13.381 -14.258 1.00 0.00 N ATOM 0 H GLN A 90 -10.259 -11.169 -11.856 1.00 0.00 H new ATOM 0 HA GLN A 90 -12.894 -11.302 -10.888 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.775 -13.457 -11.147 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -12.469 -13.765 -10.820 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.394 -12.416 -13.323 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -11.832 -14.108 -13.202 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.401 -14.028 -14.783 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.952 -13.214 -14.551 1.00 0.00 H new ATOM 1434 N GLY A 91 -10.534 -11.756 -8.663 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.286 -11.795 -7.240 1.00 0.00 C ATOM 1436 C GLY A 91 -10.786 -10.529 -6.573 1.00 0.00 C ATOM 1437 O GLY A 91 -11.397 -10.571 -5.505 1.00 0.00 O ATOM 0 H GLY A 91 -9.698 -11.669 -9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.782 -12.662 -6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.218 -11.912 -7.055 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.552 -9.407 -7.227 1.00 0.00 N ATOM 1442 CA LEU A 92 -10.993 -8.118 -6.736 1.00 0.00 C ATOM 1443 C LEU A 92 -12.514 -8.035 -6.740 1.00 0.00 C ATOM 1444 O LEU A 92 -13.104 -7.474 -5.837 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.400 -6.988 -7.574 1.00 0.00 C ATOM 1446 CG LEU A 92 -10.781 -5.572 -7.144 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.261 -5.266 -5.747 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.273 -4.559 -8.148 1.00 0.00 C ATOM 0 H LEU A 92 -10.050 -9.365 -8.114 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.641 -8.008 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.314 -7.075 -7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.709 -7.128 -8.610 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.869 -5.506 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.546 -4.252 -5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.689 -5.973 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.175 -5.353 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.553 -3.556 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.187 -4.628 -8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.712 -4.763 -9.125 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.132 -8.607 -7.756 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.581 -8.648 -7.867 1.00 0.00 C ATOM 1462 C ILE A 93 -15.175 -9.463 -6.717 1.00 0.00 C ATOM 1463 O ILE A 93 -16.221 -9.113 -6.180 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.030 -9.194 -9.260 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.569 -8.220 -10.360 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.551 -9.391 -9.324 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -14.769 -8.722 -11.770 1.00 0.00 C ATOM 0 H ILE A 93 -12.644 -9.058 -8.530 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.963 -7.630 -7.791 1.00 0.00 H new ATOM 0 HB ILE A 93 -14.568 -10.169 -9.415 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.108 -7.280 -10.243 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.511 -8.001 -10.213 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -16.828 -9.772 -10.307 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -16.858 -10.104 -8.559 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.049 -8.437 -9.151 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.416 -7.971 -12.477 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.207 -9.645 -11.911 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -15.828 -8.913 -11.942 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.474 -10.511 -6.305 1.00 0.00 N ATOM 1480 CA GLU A 94 -14.892 -11.303 -5.153 1.00 0.00 C ATOM 1481 C GLU A 94 -14.862 -10.418 -3.895 1.00 0.00 C ATOM 1482 O GLU A 94 -15.795 -10.417 -3.085 1.00 0.00 O ATOM 1483 CB GLU A 94 -13.973 -12.512 -4.978 1.00 0.00 C ATOM 1484 CG GLU A 94 -14.339 -13.402 -3.808 1.00 0.00 C ATOM 1485 CD GLU A 94 -13.397 -14.558 -3.656 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -13.577 -15.566 -4.338 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -12.452 -14.476 -2.850 1.00 0.00 O ATOM 0 H GLU A 94 -13.614 -10.833 -6.750 1.00 0.00 H new ATOM 0 HA GLU A 94 -15.906 -11.669 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.993 -13.105 -5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.949 -12.161 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.338 -12.812 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -15.353 -13.778 -3.944 1.00 0.00 H new ATOM 1494 N ILE A 95 -13.792 -9.644 -3.773 1.00 0.00 N ATOM 1495 CA ILE A 95 -13.625 -8.689 -2.682 1.00 0.00 C ATOM 1496 C ILE A 95 -14.722 -7.616 -2.749 1.00 0.00 C ATOM 1497 O ILE A 95 -15.310 -7.237 -1.727 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.217 -8.025 -2.742 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.123 -9.093 -2.557 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.083 -6.912 -1.706 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -9.707 -8.575 -2.708 1.00 0.00 C ATOM 0 H ILE A 95 -13.012 -9.660 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.711 -9.225 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.093 -7.567 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.230 -9.537 -1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.284 -9.890 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.089 -6.469 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.835 -6.146 -1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.229 -7.325 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.003 -9.394 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.577 -8.158 -3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.522 -7.800 -1.964 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.012 -7.176 -3.954 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.033 -6.184 -4.205 1.00 0.00 C ATOM 1515 C LEU A 96 -17.396 -6.708 -3.774 1.00 0.00 C ATOM 1516 O LEU A 96 -18.157 -5.994 -3.156 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.055 -5.797 -5.689 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.006 -4.663 -6.078 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.582 -3.348 -5.425 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.074 -4.522 -7.591 1.00 0.00 C ATOM 0 H LEU A 96 -14.539 -7.502 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 96 -15.800 -5.294 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.045 -5.513 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.320 -6.681 -6.270 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.003 -4.911 -5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.273 -2.557 -5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.595 -3.459 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.575 -3.088 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.755 -3.711 -7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.080 -4.301 -7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.436 -5.453 -8.027 1.00 0.00 H new ATOM 1532 N LYS A 97 -17.674 -7.971 -4.079 1.00 0.00 N ATOM 1533 CA LYS A 97 -18.936 -8.618 -3.701 1.00 0.00 C ATOM 1534 C LYS A 97 -19.098 -8.684 -2.187 1.00 0.00 C ATOM 1535 O LYS A 97 -20.224 -8.596 -1.664 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.033 -10.020 -4.315 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.220 -10.023 -5.833 1.00 0.00 C ATOM 1538 CD LYS A 97 -20.624 -9.571 -6.266 1.00 0.00 C ATOM 1539 CE LYS A 97 -21.686 -10.687 -6.168 1.00 0.00 C ATOM 1540 NZ LYS A 97 -21.884 -11.221 -4.798 1.00 0.00 N ATOM 0 H LYS A 97 -17.036 -8.578 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 97 -19.749 -8.009 -4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.128 -10.576 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -19.867 -10.550 -3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.477 -9.367 -6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.034 -11.027 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.934 -8.730 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.580 -9.211 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -22.637 -10.301 -6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -21.398 -11.506 -6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -22.792 -11.726 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -21.111 -11.877 -4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -21.888 -10.435 -4.116 1.00 0.00 H new ATOM 1554 N LYS A 98 -17.986 -8.820 -1.502 1.00 0.00 N ATOM 1555 CA LYS A 98 -17.953 -8.852 -0.053 1.00 0.00 C ATOM 1556 C LYS A 98 -18.357 -7.505 0.522 1.00 0.00 C ATOM 1557 O LYS A 98 -19.326 -7.393 1.300 1.00 0.00 O ATOM 1558 CB LYS A 98 -16.543 -9.195 0.431 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.076 -10.592 0.108 1.00 0.00 C ATOM 1560 CD LYS A 98 -14.640 -10.813 0.553 1.00 0.00 C ATOM 1561 CE LYS A 98 -14.193 -12.216 0.217 1.00 0.00 C ATOM 1562 NZ LYS A 98 -12.772 -12.469 0.560 1.00 0.00 N ATOM 0 H LYS A 98 -17.068 -8.913 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.657 -9.613 0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.843 -8.484 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.503 -9.056 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.726 -11.317 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.157 -10.765 -0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.986 -10.090 0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.556 -10.645 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.822 -12.929 0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.341 -12.393 -0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.673 -13.431 0.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.187 -12.376 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.458 -11.778 1.272 1.00 0.00 H new ATOM 1576 N VAL A 99 -17.646 -6.483 0.109 1.00 0.00 N ATOM 1577 CA VAL A 99 -17.838 -5.147 0.636 1.00 0.00 C ATOM 1578 C VAL A 99 -19.101 -4.496 0.071 1.00 0.00 C ATOM 1579 O VAL A 99 -19.588 -3.500 0.602 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.598 -4.256 0.384 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.341 -4.937 0.921 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.439 -3.921 -1.089 1.00 0.00 C ATOM 0 H VAL A 99 -16.917 -6.551 -0.602 1.00 0.00 H new ATOM 0 HA VAL A 99 -17.968 -5.243 1.714 1.00 0.00 H new ATOM 0 HB VAL A 99 -16.746 -3.317 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.476 -4.300 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.448 -5.105 1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.201 -5.893 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.558 -3.294 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.322 -4.842 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.323 -3.386 -1.438 1.00 0.00 H new ATOM 1592 N SER A 100 -19.592 -5.049 -1.026 1.00 0.00 N ATOM 1593 CA SER A 100 -20.820 -4.634 -1.652 1.00 0.00 C ATOM 1594 C SER A 100 -21.968 -4.650 -0.650 1.00 0.00 C ATOM 1595 O SER A 100 -22.625 -3.628 -0.442 1.00 0.00 O ATOM 1596 CB SER A 100 -21.120 -5.551 -2.854 1.00 0.00 C ATOM 1597 OG SER A 100 -22.375 -5.291 -3.450 1.00 0.00 O ATOM 0 H SER A 100 -19.130 -5.818 -1.512 1.00 0.00 H new ATOM 0 HA SER A 100 -20.711 -3.610 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 100 -20.337 -5.428 -3.602 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.088 -6.590 -2.527 1.00 0.00 H new ATOM 0 HG SER A 100 -22.510 -5.900 -4.206 1.00 0.00 H new