USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 612 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 34 SER OG : rot -84:sc= 0.606 USER MOD Set 1.2: A 35 GLN : amide:sc= 0.0999 X(o=1.1,f=1.1) USER MOD Set 1.3: A 39 TYR OH : rot 61:sc= 0.422 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.983 X(o=-0.98,f=-0.72) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 77:sc= 0.654 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.477 F(o=-1.2,f=-0.48) USER MOD Single : A 40 ASN : amide:sc= -0.0375 K(o=-0.037,f=-5.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.92! C(o=-0.92!,f=-4.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 50:sc= -4.6! USER MOD Single : A 60 GLN : amide:sc= 1.13 K(o=1.1,f=-0.028) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.00226 USER MOD Single : A 66 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 68 GLN : amide:sc= -0.629 K(o=-0.63,f=-2.4!) USER MOD Single : A 71 SER OG : rot 81:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -6.073 -10.471 -0.282 1.00 0.00 N ATOM 78 CA LYS A 6 -4.836 -9.848 0.013 1.00 0.00 C ATOM 79 C LYS A 6 -4.594 -8.725 -0.946 1.00 0.00 C ATOM 80 O LYS A 6 -4.733 -8.883 -2.167 1.00 0.00 O ATOM 81 CB LYS A 6 -3.703 -10.864 -0.029 1.00 0.00 C ATOM 82 CG LYS A 6 -3.894 -12.003 0.956 1.00 0.00 C ATOM 83 CD LYS A 6 -2.804 -13.038 0.835 1.00 0.00 C ATOM 84 CE LYS A 6 -3.034 -14.182 1.798 1.00 0.00 C ATOM 85 NZ LYS A 6 -2.001 -15.219 1.668 1.00 0.00 N ATOM 0 HA LYS A 6 -4.873 -9.437 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.624 -11.271 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.761 -10.359 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.908 -11.607 1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.862 -12.473 0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.770 -13.418 -0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.837 -12.578 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.041 -13.802 2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.015 -14.621 1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.192 -15.986 2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.011 -15.600 0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.068 -14.806 1.868 1.00 0.00 H new ATOM 99 N LEU A 7 -4.266 -7.604 -0.401 1.00 0.00 N ATOM 100 CA LEU A 7 -4.000 -6.445 -1.159 1.00 0.00 C ATOM 101 C LEU A 7 -2.608 -6.587 -1.700 1.00 0.00 C ATOM 102 O LEU A 7 -1.621 -6.494 -0.949 1.00 0.00 O ATOM 103 CB LEU A 7 -4.106 -5.196 -0.281 1.00 0.00 C ATOM 104 CG LEU A 7 -5.419 -5.019 0.495 1.00 0.00 C ATOM 105 CD1 LEU A 7 -5.367 -3.756 1.318 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.614 -4.982 -0.438 1.00 0.00 C ATOM 0 H LEU A 7 -4.175 -7.472 0.606 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.722 -6.337 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.285 -5.211 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.962 -4.320 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.536 -5.878 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.303 -3.639 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.539 -3.816 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.222 -2.899 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.527 -4.856 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.508 -4.148 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.667 -5.916 -0.998 1.00 0.00 H new ATOM 118 N VAL A 8 -2.521 -6.894 -2.957 1.00 0.00 N ATOM 119 CA VAL A 8 -1.255 -7.074 -3.573 1.00 0.00 C ATOM 120 C VAL A 8 -0.778 -5.747 -4.095 1.00 0.00 C ATOM 121 O VAL A 8 -1.370 -5.169 -5.007 1.00 0.00 O ATOM 122 CB VAL A 8 -1.310 -8.115 -4.732 1.00 0.00 C ATOM 123 CG1 VAL A 8 0.072 -8.329 -5.343 1.00 0.00 C ATOM 124 CG2 VAL A 8 -1.884 -9.441 -4.242 1.00 0.00 C ATOM 0 H VAL A 8 -3.321 -7.025 -3.576 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.562 -7.462 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.967 -7.717 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.004 -9.060 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.445 -7.385 -5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.756 -8.696 -4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.913 -10.152 -5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.256 -9.837 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.894 -9.283 -3.864 1.00 0.00 H new ATOM 134 N LEU A 9 0.254 -5.263 -3.487 1.00 0.00 N ATOM 135 CA LEU A 9 0.861 -4.037 -3.872 1.00 0.00 C ATOM 136 C LEU A 9 2.000 -4.356 -4.788 1.00 0.00 C ATOM 137 O LEU A 9 2.877 -5.173 -4.446 1.00 0.00 O ATOM 138 CB LEU A 9 1.385 -3.277 -2.646 1.00 0.00 C ATOM 139 CG LEU A 9 0.351 -2.885 -1.583 1.00 0.00 C ATOM 140 CD1 LEU A 9 1.035 -2.192 -0.420 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.723 -1.983 -2.175 1.00 0.00 C ATOM 0 H LEU A 9 0.706 -5.719 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 9 0.126 -3.405 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.149 -3.889 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.876 -2.368 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.130 -3.794 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.292 -1.918 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.767 -2.866 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.538 -1.294 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.444 -1.719 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.262 -1.076 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.234 -2.507 -2.983 1.00 0.00 H new ATOM 153 N ASP A 10 1.973 -3.789 -5.953 1.00 0.00 N ATOM 154 CA ASP A 10 3.046 -3.976 -6.893 1.00 0.00 C ATOM 155 C ASP A 10 4.211 -3.113 -6.468 1.00 0.00 C ATOM 156 O ASP A 10 4.126 -1.881 -6.506 1.00 0.00 O ATOM 157 CB ASP A 10 2.622 -3.587 -8.292 1.00 0.00 C ATOM 158 CG ASP A 10 3.677 -3.946 -9.302 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.591 -3.152 -9.529 1.00 0.00 O ATOM 160 OD2 ASP A 10 3.598 -5.028 -9.896 1.00 0.00 O ATOM 0 H ASP A 10 1.217 -3.188 -6.282 1.00 0.00 H new ATOM 0 HA ASP A 10 3.326 -5.029 -6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.688 -4.089 -8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.428 -2.515 -8.331 1.00 0.00 H new ATOM 165 N LEU A 11 5.286 -3.740 -6.062 1.00 0.00 N ATOM 166 CA LEU A 11 6.429 -3.023 -5.534 1.00 0.00 C ATOM 167 C LEU A 11 7.161 -2.216 -6.601 1.00 0.00 C ATOM 168 O LEU A 11 7.743 -1.185 -6.304 1.00 0.00 O ATOM 169 CB LEU A 11 7.354 -3.968 -4.773 1.00 0.00 C ATOM 170 CG LEU A 11 6.719 -4.631 -3.535 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.662 -5.624 -2.907 1.00 0.00 C ATOM 172 CD2 LEU A 11 6.309 -3.583 -2.510 1.00 0.00 C ATOM 0 H LEU A 11 5.398 -4.754 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 11 6.055 -2.287 -4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.693 -4.749 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.238 -3.414 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 11 5.828 -5.164 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.187 -6.076 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.907 -6.401 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.575 -5.114 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.863 -4.075 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.187 -3.020 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.582 -2.903 -2.955 1.00 0.00 H new ATOM 184 N GLU A 12 7.059 -2.648 -7.841 1.00 0.00 N ATOM 185 CA GLU A 12 7.659 -1.932 -8.958 1.00 0.00 C ATOM 186 C GLU A 12 6.935 -0.611 -9.178 1.00 0.00 C ATOM 187 O GLU A 12 7.558 0.454 -9.291 1.00 0.00 O ATOM 188 CB GLU A 12 7.621 -2.794 -10.213 1.00 0.00 C ATOM 189 CG GLU A 12 8.654 -3.892 -10.219 1.00 0.00 C ATOM 190 CD GLU A 12 10.035 -3.312 -10.253 1.00 0.00 C ATOM 191 OE1 GLU A 12 10.462 -2.863 -11.335 1.00 0.00 O ATOM 192 OE2 GLU A 12 10.702 -3.245 -9.197 1.00 0.00 O ATOM 0 H GLU A 12 6.563 -3.499 -8.106 1.00 0.00 H new ATOM 0 HA GLU A 12 8.702 -1.715 -8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.630 -3.238 -10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.772 -2.159 -11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.536 -4.515 -9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.503 -4.537 -11.084 1.00 0.00 H new ATOM 199 N ARG A 13 5.621 -0.685 -9.205 1.00 0.00 N ATOM 200 CA ARG A 13 4.771 0.485 -9.324 1.00 0.00 C ATOM 201 C ARG A 13 4.952 1.380 -8.123 1.00 0.00 C ATOM 202 O ARG A 13 5.019 2.592 -8.254 1.00 0.00 O ATOM 203 CB ARG A 13 3.312 0.072 -9.445 1.00 0.00 C ATOM 204 CG ARG A 13 2.984 -0.661 -10.723 1.00 0.00 C ATOM 205 CD ARG A 13 3.010 0.273 -11.914 1.00 0.00 C ATOM 206 NE ARG A 13 2.772 -0.432 -13.170 1.00 0.00 N ATOM 207 CZ ARG A 13 1.571 -0.762 -13.663 1.00 0.00 C ATOM 208 NH1 ARG A 13 0.466 -0.610 -12.923 1.00 0.00 N ATOM 209 NH2 ARG A 13 1.482 -1.288 -14.874 1.00 0.00 N ATOM 0 H ARG A 13 5.107 -1.564 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 13 5.056 1.031 -10.223 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.054 -0.563 -8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.687 0.962 -9.378 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.700 -1.469 -10.876 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.999 -1.120 -10.639 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.253 1.047 -11.784 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.976 0.776 -11.959 1.00 0.00 H new ATOM 0 HE ARG A 13 3.590 -0.696 -13.719 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.534 -0.240 -11.975 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.444 -0.864 -13.307 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.325 -1.440 -15.427 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.570 -1.541 -15.254 1.00 0.00 H new ATOM 223 N LEU A 14 5.064 0.768 -6.963 1.00 0.00 N ATOM 224 CA LEU A 14 5.275 1.487 -5.718 1.00 0.00 C ATOM 225 C LEU A 14 6.600 2.256 -5.767 1.00 0.00 C ATOM 226 O LEU A 14 6.676 3.406 -5.341 1.00 0.00 O ATOM 227 CB LEU A 14 5.273 0.505 -4.544 1.00 0.00 C ATOM 228 CG LEU A 14 5.385 1.107 -3.146 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.175 1.977 -2.835 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.536 0.006 -2.116 1.00 0.00 C ATOM 0 H LEU A 14 5.012 -0.245 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 14 4.465 2.203 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.354 -0.079 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.100 -0.192 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 14 6.271 1.741 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.276 2.396 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.112 2.786 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.269 1.372 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.615 0.446 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.666 -0.650 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.435 -0.571 -2.330 1.00 0.00 H new ATOM 242 N ALA A 15 7.625 1.622 -6.326 1.00 0.00 N ATOM 243 CA ALA A 15 8.943 2.237 -6.476 1.00 0.00 C ATOM 244 C ALA A 15 8.933 3.309 -7.560 1.00 0.00 C ATOM 245 O ALA A 15 9.835 4.137 -7.641 1.00 0.00 O ATOM 246 CB ALA A 15 9.988 1.182 -6.791 1.00 0.00 C ATOM 0 H ALA A 15 7.568 0.670 -6.688 1.00 0.00 H new ATOM 0 HA ALA A 15 9.198 2.715 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.963 1.657 -6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.027 0.455 -5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.726 0.676 -7.720 1.00 0.00 H new ATOM 252 N THR A 16 7.912 3.285 -8.386 1.00 0.00 N ATOM 253 CA THR A 16 7.742 4.259 -9.435 1.00 0.00 C ATOM 254 C THR A 16 7.136 5.548 -8.850 1.00 0.00 C ATOM 255 O THR A 16 7.371 6.650 -9.347 1.00 0.00 O ATOM 256 CB THR A 16 6.835 3.680 -10.551 1.00 0.00 C ATOM 257 OG1 THR A 16 7.432 2.469 -11.066 1.00 0.00 O ATOM 258 CG2 THR A 16 6.631 4.670 -11.695 1.00 0.00 C ATOM 0 H THR A 16 7.172 2.584 -8.347 1.00 0.00 H new ATOM 0 HA THR A 16 8.712 4.498 -9.872 1.00 0.00 H new ATOM 0 HB THR A 16 5.858 3.472 -10.115 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.301 1.741 -10.423 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.989 4.222 -12.454 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.162 5.577 -11.312 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.596 4.919 -12.137 1.00 0.00 H new ATOM 266 N VAL A 17 6.406 5.401 -7.768 1.00 0.00 N ATOM 267 CA VAL A 17 5.788 6.523 -7.109 1.00 0.00 C ATOM 268 C VAL A 17 6.866 7.252 -6.285 1.00 0.00 C ATOM 269 O VAL A 17 7.700 6.596 -5.645 1.00 0.00 O ATOM 270 CB VAL A 17 4.613 6.049 -6.195 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.930 7.216 -5.502 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.596 5.258 -7.001 1.00 0.00 C ATOM 0 H VAL A 17 6.226 4.501 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 17 5.367 7.203 -7.849 1.00 0.00 H new ATOM 0 HB VAL A 17 5.041 5.406 -5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.119 6.843 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.654 7.745 -4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.527 7.898 -6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.785 4.936 -6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.194 5.886 -7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.079 4.384 -7.438 1.00 0.00 H new ATOM 282 N PRO A 18 6.924 8.601 -6.357 1.00 0.00 N ATOM 283 CA PRO A 18 7.913 9.411 -5.628 1.00 0.00 C ATOM 284 C PRO A 18 7.921 9.144 -4.116 1.00 0.00 C ATOM 285 O PRO A 18 6.882 8.780 -3.524 1.00 0.00 O ATOM 286 CB PRO A 18 7.490 10.863 -5.916 1.00 0.00 C ATOM 287 CG PRO A 18 6.112 10.767 -6.469 1.00 0.00 C ATOM 288 CD PRO A 18 6.051 9.453 -7.180 1.00 0.00 C ATOM 0 HA PRO A 18 8.926 9.176 -5.953 1.00 0.00 H new ATOM 0 HB2 PRO A 18 7.509 11.466 -5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.167 11.337 -6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.367 10.817 -5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.906 11.591 -7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.034 9.065 -7.227 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.411 9.530 -8.206 1.00 0.00 H new ATOM 296 N ALA A 19 9.080 9.360 -3.497 1.00 0.00 N ATOM 297 CA ALA A 19 9.290 9.111 -2.065 1.00 0.00 C ATOM 298 C ALA A 19 8.377 9.970 -1.206 1.00 0.00 C ATOM 299 O ALA A 19 7.993 9.568 -0.119 1.00 0.00 O ATOM 300 CB ALA A 19 10.743 9.313 -1.676 1.00 0.00 C ATOM 0 H ALA A 19 9.908 9.715 -3.975 1.00 0.00 H new ATOM 0 HA ALA A 19 9.033 8.068 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.864 9.121 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.370 8.625 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.039 10.339 -1.896 1.00 0.00 H new ATOM 306 N GLU A 20 8.003 11.136 -1.722 1.00 0.00 N ATOM 307 CA GLU A 20 7.037 12.012 -1.057 1.00 0.00 C ATOM 308 C GLU A 20 5.732 11.272 -0.751 1.00 0.00 C ATOM 309 O GLU A 20 5.078 11.541 0.248 1.00 0.00 O ATOM 310 CB GLU A 20 6.755 13.253 -1.916 1.00 0.00 C ATOM 311 CG GLU A 20 7.867 14.299 -1.898 1.00 0.00 C ATOM 312 CD GLU A 20 7.913 15.073 -0.594 1.00 0.00 C ATOM 313 OE1 GLU A 20 8.318 14.514 0.452 1.00 0.00 O ATOM 314 OE2 GLU A 20 7.501 16.256 -0.576 1.00 0.00 O ATOM 0 H GLU A 20 8.356 11.501 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 20 7.474 12.330 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.587 12.937 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.831 13.717 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.827 13.808 -2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.721 14.994 -2.725 1.00 0.00 H new ATOM 321 N LYS A 21 5.379 10.316 -1.592 1.00 0.00 N ATOM 322 CA LYS A 21 4.147 9.575 -1.404 1.00 0.00 C ATOM 323 C LYS A 21 4.430 8.150 -0.953 1.00 0.00 C ATOM 324 O LYS A 21 3.950 7.708 0.081 1.00 0.00 O ATOM 325 CB LYS A 21 3.347 9.527 -2.712 1.00 0.00 C ATOM 326 CG LYS A 21 3.025 10.869 -3.388 1.00 0.00 C ATOM 327 CD LYS A 21 1.927 11.699 -2.697 1.00 0.00 C ATOM 328 CE LYS A 21 2.341 12.287 -1.352 1.00 0.00 C ATOM 329 NZ LYS A 21 1.383 13.293 -0.885 1.00 0.00 N ATOM 0 H LYS A 21 5.925 10.037 -2.407 1.00 0.00 H new ATOM 0 HA LYS A 21 3.570 10.088 -0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.900 8.914 -3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.406 9.014 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.937 11.465 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.721 10.677 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.630 12.512 -3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.049 11.070 -2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.420 11.489 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.329 12.738 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.696 13.671 0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.327 14.067 -1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.445 12.856 -0.777 1.00 0.00 H new ATOM 343 N ALA A 22 5.250 7.452 -1.713 1.00 0.00 N ATOM 344 CA ALA A 22 5.476 6.037 -1.486 1.00 0.00 C ATOM 345 C ALA A 22 6.634 5.760 -0.559 1.00 0.00 C ATOM 346 O ALA A 22 6.812 4.639 -0.133 1.00 0.00 O ATOM 347 CB ALA A 22 5.681 5.329 -2.800 1.00 0.00 C ATOM 0 H ALA A 22 5.773 7.843 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 22 4.584 5.653 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.850 4.268 -2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.795 5.454 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.546 5.752 -3.310 1.00 0.00 H new ATOM 353 N GLY A 23 7.394 6.777 -0.238 1.00 0.00 N ATOM 354 CA GLY A 23 8.563 6.623 0.629 1.00 0.00 C ATOM 355 C GLY A 23 8.233 6.036 2.002 1.00 0.00 C ATOM 356 O GLY A 23 8.770 4.985 2.364 1.00 0.00 O ATOM 0 H GLY A 23 7.233 7.731 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.290 5.980 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.036 7.596 0.763 1.00 0.00 H new ATOM 360 N PRO A 24 7.316 6.665 2.790 1.00 0.00 N ATOM 361 CA PRO A 24 6.956 6.159 4.118 1.00 0.00 C ATOM 362 C PRO A 24 6.212 4.820 4.027 1.00 0.00 C ATOM 363 O PRO A 24 6.217 4.015 4.965 1.00 0.00 O ATOM 364 CB PRO A 24 6.053 7.263 4.697 1.00 0.00 C ATOM 365 CG PRO A 24 5.513 7.981 3.512 1.00 0.00 C ATOM 366 CD PRO A 24 6.586 7.917 2.467 1.00 0.00 C ATOM 0 HA PRO A 24 7.828 5.959 4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.251 6.840 5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.617 7.936 5.343 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.594 7.513 3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.270 9.014 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.165 7.887 1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.242 8.786 2.512 1.00 0.00 H new ATOM 374 N LEU A 25 5.622 4.585 2.870 1.00 0.00 N ATOM 375 CA LEU A 25 4.896 3.367 2.589 1.00 0.00 C ATOM 376 C LEU A 25 5.935 2.252 2.391 1.00 0.00 C ATOM 377 O LEU A 25 5.833 1.182 2.985 1.00 0.00 O ATOM 378 CB LEU A 25 4.032 3.596 1.314 1.00 0.00 C ATOM 379 CG LEU A 25 2.917 2.567 0.901 1.00 0.00 C ATOM 380 CD1 LEU A 25 3.408 1.137 0.758 1.00 0.00 C ATOM 381 CD2 LEU A 25 1.714 2.638 1.818 1.00 0.00 C ATOM 0 H LEU A 25 5.635 5.244 2.092 1.00 0.00 H new ATOM 0 HA LEU A 25 4.225 3.083 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.547 4.566 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.719 3.678 0.472 1.00 0.00 H new ATOM 0 HG LEU A 25 2.610 2.877 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.576 0.494 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.182 1.093 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.819 0.797 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.968 1.911 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.022 2.415 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.285 3.639 1.778 1.00 0.00 H new ATOM 393 N GLN A 26 6.967 2.546 1.598 1.00 0.00 N ATOM 394 CA GLN A 26 8.041 1.598 1.307 1.00 0.00 C ATOM 395 C GLN A 26 8.835 1.226 2.541 1.00 0.00 C ATOM 396 O GLN A 26 9.406 0.151 2.599 1.00 0.00 O ATOM 397 CB GLN A 26 8.970 2.107 0.213 1.00 0.00 C ATOM 398 CG GLN A 26 8.340 2.139 -1.169 1.00 0.00 C ATOM 399 CD GLN A 26 9.271 2.702 -2.212 1.00 0.00 C ATOM 400 OE1 GLN A 26 10.490 2.577 -2.110 1.00 0.00 O ATOM 401 NE2 GLN A 26 8.724 3.328 -3.217 1.00 0.00 N ATOM 0 H GLN A 26 7.081 3.450 1.139 1.00 0.00 H new ATOM 0 HA GLN A 26 7.551 0.694 0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.303 3.112 0.472 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.858 1.475 0.182 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.047 1.129 -1.455 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.430 2.738 -1.137 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.709 3.415 -3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.311 3.731 -3.947 1.00 0.00 H new ATOM 410 N ARG A 27 8.871 2.113 3.524 1.00 0.00 N ATOM 411 CA ARG A 27 9.544 1.806 4.785 1.00 0.00 C ATOM 412 C ARG A 27 8.838 0.632 5.451 1.00 0.00 C ATOM 413 O ARG A 27 9.460 -0.373 5.809 1.00 0.00 O ATOM 414 CB ARG A 27 9.531 3.003 5.727 1.00 0.00 C ATOM 415 CG ARG A 27 10.157 4.263 5.156 1.00 0.00 C ATOM 416 CD ARG A 27 10.267 5.373 6.196 1.00 0.00 C ATOM 417 NE ARG A 27 9.002 5.630 6.911 1.00 0.00 N ATOM 418 CZ ARG A 27 8.556 6.840 7.294 1.00 0.00 C ATOM 419 NH1 ARG A 27 9.159 7.946 6.885 1.00 0.00 N ATOM 420 NH2 ARG A 27 7.484 6.931 8.068 1.00 0.00 N ATOM 0 H ARG A 27 8.449 3.041 3.479 1.00 0.00 H new ATOM 0 HA ARG A 27 10.583 1.555 4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.499 3.219 6.005 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.058 2.734 6.643 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.149 4.031 4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.560 4.614 4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.038 5.108 6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.592 6.290 5.705 1.00 0.00 H new ATOM 0 HE ARG A 27 8.418 4.824 7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.972 7.887 6.272 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.810 8.857 7.183 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.000 6.086 8.371 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.143 7.846 8.361 1.00 0.00 H new ATOM 434 N TYR A 28 7.525 0.764 5.561 1.00 0.00 N ATOM 435 CA TYR A 28 6.665 -0.267 6.124 1.00 0.00 C ATOM 436 C TYR A 28 6.739 -1.513 5.245 1.00 0.00 C ATOM 437 O TYR A 28 6.860 -2.635 5.743 1.00 0.00 O ATOM 438 CB TYR A 28 5.217 0.265 6.183 1.00 0.00 C ATOM 439 CG TYR A 28 4.178 -0.668 6.799 1.00 0.00 C ATOM 440 CD1 TYR A 28 3.587 -1.690 6.055 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.757 -0.499 8.112 1.00 0.00 C ATOM 442 CE1 TYR A 28 2.618 -2.509 6.605 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.790 -1.320 8.667 1.00 0.00 C ATOM 444 CZ TYR A 28 2.227 -2.321 7.911 1.00 0.00 C ATOM 445 OH TYR A 28 1.264 -3.138 8.462 1.00 0.00 O ATOM 0 H TYR A 28 7.021 1.598 5.259 1.00 0.00 H new ATOM 0 HA TYR A 28 6.991 -0.525 7.132 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.218 1.197 6.748 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.900 0.508 5.169 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.892 -1.844 5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.192 0.287 8.711 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.170 -3.293 6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.479 -1.175 9.691 1.00 0.00 H new ATOM 0 HH TYR A 28 1.104 -2.873 9.392 1.00 0.00 H new ATOM 455 N ALA A 29 6.685 -1.290 3.936 1.00 0.00 N ATOM 456 CA ALA A 29 6.742 -2.351 2.947 1.00 0.00 C ATOM 457 C ALA A 29 7.994 -3.187 3.105 1.00 0.00 C ATOM 458 O ALA A 29 7.904 -4.401 3.160 1.00 0.00 O ATOM 459 CB ALA A 29 6.654 -1.793 1.535 1.00 0.00 C ATOM 0 H ALA A 29 6.600 -0.357 3.532 1.00 0.00 H new ATOM 0 HA ALA A 29 5.879 -2.996 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.699 -2.612 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.713 -1.256 1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.486 -1.111 1.361 1.00 0.00 H new ATOM 465 N ALA A 30 9.147 -2.524 3.245 1.00 0.00 N ATOM 466 CA ALA A 30 10.432 -3.207 3.400 1.00 0.00 C ATOM 467 C ALA A 30 10.417 -4.079 4.642 1.00 0.00 C ATOM 468 O ALA A 30 10.906 -5.221 4.632 1.00 0.00 O ATOM 469 CB ALA A 30 11.571 -2.200 3.468 1.00 0.00 C ATOM 0 H ALA A 30 9.214 -1.506 3.254 1.00 0.00 H new ATOM 0 HA ALA A 30 10.592 -3.844 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.517 -2.728 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.593 -1.613 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.420 -1.537 4.320 1.00 0.00 H new ATOM 475 N THR A 31 9.801 -3.566 5.691 1.00 0.00 N ATOM 476 CA THR A 31 9.669 -4.290 6.931 1.00 0.00 C ATOM 477 C THR A 31 8.816 -5.563 6.704 1.00 0.00 C ATOM 478 O THR A 31 9.190 -6.667 7.122 1.00 0.00 O ATOM 479 CB THR A 31 9.016 -3.389 8.006 1.00 0.00 C ATOM 480 OG1 THR A 31 9.750 -2.155 8.095 1.00 0.00 O ATOM 481 CG2 THR A 31 9.023 -4.070 9.371 1.00 0.00 C ATOM 0 H THR A 31 9.380 -2.637 5.702 1.00 0.00 H new ATOM 0 HA THR A 31 10.658 -4.585 7.281 1.00 0.00 H new ATOM 0 HB THR A 31 7.982 -3.200 7.717 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.509 -1.576 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.558 -3.414 10.107 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.465 -5.005 9.314 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.051 -4.278 9.668 1.00 0.00 H new ATOM 489 N ILE A 32 7.712 -5.414 5.985 1.00 0.00 N ATOM 490 CA ILE A 32 6.829 -6.537 5.700 1.00 0.00 C ATOM 491 C ILE A 32 7.496 -7.529 4.743 1.00 0.00 C ATOM 492 O ILE A 32 7.383 -8.733 4.936 1.00 0.00 O ATOM 493 CB ILE A 32 5.449 -6.082 5.140 1.00 0.00 C ATOM 494 CG1 ILE A 32 4.762 -5.120 6.118 1.00 0.00 C ATOM 495 CG2 ILE A 32 4.536 -7.283 4.868 1.00 0.00 C ATOM 496 CD1 ILE A 32 4.488 -5.700 7.499 1.00 0.00 C ATOM 0 H ILE A 32 7.406 -4.526 5.588 1.00 0.00 H new ATOM 0 HA ILE A 32 6.642 -7.037 6.650 1.00 0.00 H new ATOM 0 HB ILE A 32 5.630 -5.566 4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.384 -4.232 6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.817 -4.795 5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.580 -6.933 4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.007 -7.940 4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.370 -7.831 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.001 -4.948 8.120 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.838 -6.570 7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.429 -5.998 7.962 1.00 0.00 H new ATOM 508 N GLN A 33 8.211 -7.024 3.740 1.00 0.00 N ATOM 509 CA GLN A 33 8.936 -7.878 2.789 1.00 0.00 C ATOM 510 C GLN A 33 9.912 -8.762 3.526 1.00 0.00 C ATOM 511 O GLN A 33 9.945 -9.965 3.330 1.00 0.00 O ATOM 512 CB GLN A 33 9.741 -7.057 1.783 1.00 0.00 C ATOM 513 CG GLN A 33 8.945 -6.169 0.850 1.00 0.00 C ATOM 514 CD GLN A 33 9.852 -5.359 -0.060 1.00 0.00 C ATOM 515 OE1 GLN A 33 10.988 -5.912 -0.412 1.00 0.00 O flip ATOM 516 NE2 GLN A 33 9.527 -4.246 -0.459 1.00 0.00 N flip ATOM 0 H GLN A 33 8.307 -6.024 3.561 1.00 0.00 H new ATOM 0 HA GLN A 33 8.185 -8.466 2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.442 -6.431 2.335 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.334 -7.743 1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.276 -6.782 0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.319 -5.495 1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.637 -3.840 -0.169 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.146 -3.726 -1.081 1.00 0.00 H new ATOM 525 N SER A 34 10.683 -8.152 4.385 1.00 0.00 N ATOM 526 CA SER A 34 11.700 -8.835 5.128 1.00 0.00 C ATOM 527 C SER A 34 11.083 -9.836 6.121 1.00 0.00 C ATOM 528 O SER A 34 11.450 -11.020 6.135 1.00 0.00 O ATOM 529 CB SER A 34 12.578 -7.791 5.852 1.00 0.00 C ATOM 530 OG SER A 34 13.689 -8.373 6.512 1.00 0.00 O ATOM 0 H SER A 34 10.620 -7.155 4.589 1.00 0.00 H new ATOM 0 HA SER A 34 12.323 -9.412 4.444 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.934 -7.057 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.970 -7.253 6.579 1.00 0.00 H new ATOM 0 HG SER A 34 13.414 -8.692 7.397 1.00 0.00 H new ATOM 536 N GLN A 35 10.108 -9.385 6.897 1.00 0.00 N ATOM 537 CA GLN A 35 9.578 -10.206 7.970 1.00 0.00 C ATOM 538 C GLN A 35 8.458 -11.170 7.549 1.00 0.00 C ATOM 539 O GLN A 35 8.468 -12.328 7.955 1.00 0.00 O ATOM 540 CB GLN A 35 9.139 -9.349 9.169 1.00 0.00 C ATOM 541 CG GLN A 35 10.237 -8.433 9.723 1.00 0.00 C ATOM 542 CD GLN A 35 11.531 -9.169 10.043 1.00 0.00 C ATOM 543 OE1 GLN A 35 12.413 -9.289 9.195 1.00 0.00 O ATOM 544 NE2 GLN A 35 11.666 -9.644 11.247 1.00 0.00 N ATOM 0 H GLN A 35 9.674 -8.467 6.804 1.00 0.00 H new ATOM 0 HA GLN A 35 10.411 -10.842 8.270 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.287 -8.737 8.872 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.795 -10.008 9.966 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.444 -7.646 8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.872 -7.945 10.627 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.916 -9.528 11.928 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.522 -10.132 11.510 1.00 0.00 H new ATOM 553 N ARG A 36 7.498 -10.726 6.738 1.00 0.00 N ATOM 554 CA ARG A 36 6.365 -11.613 6.437 1.00 0.00 C ATOM 555 C ARG A 36 6.366 -12.106 4.995 1.00 0.00 C ATOM 556 O ARG A 36 5.897 -13.211 4.717 1.00 0.00 O ATOM 557 CB ARG A 36 5.023 -10.934 6.670 1.00 0.00 C ATOM 558 CG ARG A 36 4.838 -10.226 8.004 1.00 0.00 C ATOM 559 CD ARG A 36 3.361 -9.896 8.262 1.00 0.00 C ATOM 560 NE ARG A 36 2.651 -9.420 7.052 1.00 0.00 N ATOM 561 CZ ARG A 36 1.580 -8.606 7.038 1.00 0.00 C ATOM 562 NH1 ARG A 36 1.240 -7.928 8.118 1.00 0.00 N ATOM 563 NH2 ARG A 36 0.877 -8.446 5.915 1.00 0.00 N ATOM 0 H ARG A 36 7.474 -9.807 6.296 1.00 0.00 H new ATOM 0 HA ARG A 36 6.493 -12.454 7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.867 -10.206 5.874 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.240 -11.686 6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.218 -10.856 8.808 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.425 -9.308 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.858 -10.784 8.645 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.296 -9.133 9.038 1.00 0.00 H new ATOM 0 HE ARG A 36 3.006 -9.737 6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.791 -8.019 8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.427 -7.313 8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.152 -8.941 5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.065 -7.829 5.905 1.00 0.00 H new ATOM 577 N GLY A 37 6.920 -11.323 4.093 1.00 0.00 N ATOM 578 CA GLY A 37 6.956 -11.726 2.691 1.00 0.00 C ATOM 579 C GLY A 37 8.112 -12.640 2.447 1.00 0.00 C ATOM 580 O GLY A 37 8.202 -13.301 1.413 1.00 0.00 O ATOM 0 H GLY A 37 7.346 -10.418 4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.025 -12.226 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.038 -10.845 2.054 1.00 0.00 H new ATOM 584 N ASP A 38 8.953 -12.697 3.460 1.00 0.00 N ATOM 585 CA ASP A 38 10.199 -13.449 3.493 1.00 0.00 C ATOM 586 C ASP A 38 11.048 -13.192 2.258 1.00 0.00 C ATOM 587 O ASP A 38 11.218 -14.058 1.397 1.00 0.00 O ATOM 588 CB ASP A 38 9.988 -14.943 3.753 1.00 0.00 C ATOM 589 CG ASP A 38 11.281 -15.666 4.060 1.00 0.00 C ATOM 590 OD1 ASP A 38 11.816 -15.466 5.169 1.00 0.00 O ATOM 591 OD2 ASP A 38 11.753 -16.474 3.231 1.00 0.00 O ATOM 0 H ASP A 38 8.780 -12.194 4.330 1.00 0.00 H new ATOM 0 HA ASP A 38 10.760 -13.075 4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.298 -15.069 4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.520 -15.398 2.880 1.00 0.00 H new ATOM 596 N TYR A 39 11.466 -11.942 2.151 1.00 0.00 N ATOM 597 CA TYR A 39 12.355 -11.440 1.142 1.00 0.00 C ATOM 598 C TYR A 39 11.857 -11.636 -0.287 1.00 0.00 C ATOM 599 O TYR A 39 12.129 -12.639 -0.938 1.00 0.00 O ATOM 600 CB TYR A 39 13.769 -11.950 1.358 1.00 0.00 C ATOM 601 CG TYR A 39 14.309 -11.590 2.725 1.00 0.00 C ATOM 602 CD1 TYR A 39 14.858 -10.343 2.962 1.00 0.00 C ATOM 603 CD2 TYR A 39 14.235 -12.486 3.787 1.00 0.00 C ATOM 604 CE1 TYR A 39 15.322 -9.993 4.208 1.00 0.00 C ATOM 605 CE2 TYR A 39 14.689 -12.139 5.040 1.00 0.00 C ATOM 606 CZ TYR A 39 15.234 -10.893 5.244 1.00 0.00 C ATOM 607 OH TYR A 39 15.673 -10.531 6.502 1.00 0.00 O ATOM 0 H TYR A 39 11.172 -11.218 2.807 1.00 0.00 H new ATOM 0 HA TYR A 39 12.374 -10.357 1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.784 -13.033 1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.423 -11.535 0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.923 -9.631 2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.815 -13.468 3.626 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.753 -9.017 4.372 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.617 -12.841 5.857 1.00 0.00 H new ATOM 0 HH TYR A 39 15.158 -9.760 6.819 1.00 0.00 H new ATOM 617 N ASN A 40 11.097 -10.676 -0.738 1.00 0.00 N ATOM 618 CA ASN A 40 10.580 -10.634 -2.089 1.00 0.00 C ATOM 619 C ASN A 40 10.265 -9.196 -2.394 1.00 0.00 C ATOM 620 O ASN A 40 9.495 -8.564 -1.658 1.00 0.00 O ATOM 621 CB ASN A 40 9.303 -11.470 -2.248 1.00 0.00 C ATOM 622 CG ASN A 40 8.830 -11.521 -3.699 1.00 0.00 C ATOM 623 OD1 ASN A 40 8.090 -10.644 -4.168 1.00 0.00 O ATOM 624 ND2 ASN A 40 9.239 -12.542 -4.410 1.00 0.00 N ATOM 0 H ASN A 40 10.810 -9.880 -0.168 1.00 0.00 H new ATOM 0 HA ASN A 40 11.323 -11.049 -2.770 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.486 -12.483 -1.891 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.514 -11.050 -1.624 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.949 -12.635 -5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.848 -13.245 -3.990 1.00 0.00 H new ATOM 631 N GLY A 41 10.861 -8.670 -3.437 1.00 0.00 N ATOM 632 CA GLY A 41 10.675 -7.288 -3.779 1.00 0.00 C ATOM 633 C GLY A 41 9.939 -7.119 -5.077 1.00 0.00 C ATOM 634 O GLY A 41 10.139 -6.136 -5.793 1.00 0.00 O ATOM 0 H GLY A 41 11.481 -9.184 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.123 -6.790 -2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.646 -6.799 -3.848 1.00 0.00 H new ATOM 638 N LYS A 42 9.107 -8.069 -5.390 1.00 0.00 N ATOM 639 CA LYS A 42 8.336 -8.037 -6.613 1.00 0.00 C ATOM 640 C LYS A 42 6.925 -7.564 -6.325 1.00 0.00 C ATOM 641 O LYS A 42 6.441 -6.573 -6.901 1.00 0.00 O ATOM 642 CB LYS A 42 8.320 -9.424 -7.230 1.00 0.00 C ATOM 643 CG LYS A 42 9.708 -9.940 -7.560 1.00 0.00 C ATOM 644 CD LYS A 42 9.687 -11.384 -8.007 1.00 0.00 C ATOM 645 CE LYS A 42 8.886 -11.578 -9.279 1.00 0.00 C ATOM 646 NZ LYS A 42 8.906 -12.980 -9.726 1.00 0.00 N ATOM 0 H LYS A 42 8.939 -8.891 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 42 8.792 -7.340 -7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.835 -10.116 -6.542 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.719 -9.405 -8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.146 -9.324 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.349 -9.842 -6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.709 -11.728 -8.167 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.263 -12.002 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.856 -11.264 -9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.290 -10.940 -10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.348 -13.074 -10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.887 -13.272 -9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.497 -13.586 -8.986 1.00 0.00 H new ATOM 660 N VAL A 43 6.273 -8.265 -5.428 1.00 0.00 N ATOM 661 CA VAL A 43 4.920 -7.960 -5.017 1.00 0.00 C ATOM 662 C VAL A 43 4.825 -8.096 -3.513 1.00 0.00 C ATOM 663 O VAL A 43 5.628 -8.805 -2.905 1.00 0.00 O ATOM 664 CB VAL A 43 3.852 -8.896 -5.688 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.771 -8.662 -7.191 1.00 0.00 C ATOM 666 CG2 VAL A 43 4.146 -10.370 -5.400 1.00 0.00 C ATOM 0 H VAL A 43 6.672 -9.076 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 43 4.701 -6.942 -5.338 1.00 0.00 H new ATOM 0 HB VAL A 43 2.886 -8.644 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.022 -9.326 -7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.491 -7.626 -7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.741 -8.866 -7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.389 -10.992 -5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.129 -10.628 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.129 -10.541 -4.324 1.00 0.00 H new ATOM 676 N LEU A 44 3.897 -7.412 -2.919 1.00 0.00 N ATOM 677 CA LEU A 44 3.690 -7.493 -1.496 1.00 0.00 C ATOM 678 C LEU A 44 2.226 -7.778 -1.238 1.00 0.00 C ATOM 679 O LEU A 44 1.369 -7.140 -1.830 1.00 0.00 O ATOM 680 CB LEU A 44 4.093 -6.173 -0.834 1.00 0.00 C ATOM 681 CG LEU A 44 4.038 -6.130 0.694 1.00 0.00 C ATOM 682 CD1 LEU A 44 5.060 -7.075 1.296 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.246 -4.717 1.202 1.00 0.00 C ATOM 0 H LEU A 44 3.258 -6.780 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 44 4.302 -8.291 -1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.109 -5.932 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.446 -5.386 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 44 3.047 -6.459 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.003 -7.028 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.853 -8.093 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.059 -6.784 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.203 -4.712 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.220 -4.353 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.465 -4.069 0.805 1.00 0.00 H new ATOM 695 N SER A 45 1.941 -8.741 -0.410 1.00 0.00 N ATOM 696 CA SER A 45 0.581 -9.068 -0.084 1.00 0.00 C ATOM 697 C SER A 45 0.283 -8.715 1.364 1.00 0.00 C ATOM 698 O SER A 45 0.861 -9.292 2.288 1.00 0.00 O ATOM 699 CB SER A 45 0.327 -10.548 -0.340 1.00 0.00 C ATOM 700 OG SER A 45 0.595 -10.869 -1.701 1.00 0.00 O ATOM 0 H SER A 45 2.640 -9.320 0.057 1.00 0.00 H new ATOM 0 HA SER A 45 -0.085 -8.485 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.958 -11.150 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.707 -10.793 -0.099 1.00 0.00 H new ATOM 0 HG SER A 45 0.429 -11.823 -1.851 1.00 0.00 H new ATOM 706 N ILE A 46 -0.574 -7.747 1.557 1.00 0.00 N ATOM 707 CA ILE A 46 -0.978 -7.352 2.886 1.00 0.00 C ATOM 708 C ILE A 46 -2.485 -7.445 2.995 1.00 0.00 C ATOM 709 O ILE A 46 -3.164 -7.689 2.011 1.00 0.00 O ATOM 710 CB ILE A 46 -0.526 -5.905 3.249 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.120 -4.872 2.270 1.00 0.00 C ATOM 712 CG2 ILE A 46 0.999 -5.807 3.305 1.00 0.00 C ATOM 713 CD1 ILE A 46 -0.830 -3.431 2.635 1.00 0.00 C ATOM 0 H ILE A 46 -1.010 -7.212 0.806 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.492 -8.029 3.588 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.911 -5.673 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.729 -5.068 1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.200 -5.013 2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.289 -4.788 3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.380 -6.493 4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.416 -6.071 2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.283 -2.770 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.246 -3.214 3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.248 -3.270 2.653 1.00 0.00 H new ATOM 725 N ARG A 47 -2.997 -7.278 4.159 1.00 0.00 N ATOM 726 CA ARG A 47 -4.416 -7.270 4.356 1.00 0.00 C ATOM 727 C ARG A 47 -4.911 -5.856 4.408 1.00 0.00 C ATOM 728 O ARG A 47 -4.119 -4.910 4.499 1.00 0.00 O ATOM 729 CB ARG A 47 -4.791 -7.924 5.662 1.00 0.00 C ATOM 730 CG ARG A 47 -4.585 -9.405 5.735 1.00 0.00 C ATOM 731 CD ARG A 47 -5.132 -9.879 7.043 1.00 0.00 C ATOM 732 NE ARG A 47 -5.120 -11.317 7.181 1.00 0.00 N ATOM 733 CZ ARG A 47 -5.814 -11.980 8.104 1.00 0.00 C ATOM 734 NH1 ARG A 47 -6.601 -11.319 8.962 1.00 0.00 N ATOM 735 NH2 ARG A 47 -5.745 -13.293 8.161 1.00 0.00 N ATOM 0 H ARG A 47 -2.451 -7.142 5.010 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.863 -7.818 3.527 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.213 -7.457 6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.841 -7.712 5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.090 -9.902 4.907 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.525 -9.648 5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.551 -9.439 7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.155 -9.519 7.153 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.546 -11.856 6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.671 -10.303 8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.130 -11.832 9.667 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.160 -13.802 7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.276 -13.801 8.868 1.00 0.00 H new ATOM 749 N GLN A 48 -6.220 -5.703 4.421 1.00 0.00 N ATOM 750 CA GLN A 48 -6.824 -4.394 4.601 1.00 0.00 C ATOM 751 C GLN A 48 -6.591 -3.967 6.040 1.00 0.00 C ATOM 752 O GLN A 48 -6.573 -2.788 6.359 1.00 0.00 O ATOM 753 CB GLN A 48 -8.340 -4.364 4.258 1.00 0.00 C ATOM 754 CG GLN A 48 -9.239 -5.250 5.125 1.00 0.00 C ATOM 755 CD GLN A 48 -9.082 -6.729 4.847 1.00 0.00 C ATOM 756 OE1 GLN A 48 -8.241 -7.400 5.440 1.00 0.00 O ATOM 757 NE2 GLN A 48 -9.877 -7.237 3.954 1.00 0.00 N ATOM 0 H GLN A 48 -6.887 -6.467 4.309 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.355 -3.700 3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.691 -3.335 4.338 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.463 -4.663 3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.017 -5.061 6.175 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.279 -4.967 4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.562 -6.644 3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.816 -8.228 3.722 1.00 0.00 H new ATOM 766 N ASP A 49 -6.392 -4.969 6.899 1.00 0.00 N ATOM 767 CA ASP A 49 -6.066 -4.757 8.305 1.00 0.00 C ATOM 768 C ASP A 49 -4.735 -4.035 8.417 1.00 0.00 C ATOM 769 O ASP A 49 -4.577 -3.124 9.223 1.00 0.00 O ATOM 770 CB ASP A 49 -5.981 -6.091 9.079 1.00 0.00 C ATOM 771 CG ASP A 49 -7.269 -6.894 9.096 1.00 0.00 C ATOM 772 OD1 ASP A 49 -8.335 -6.351 9.465 1.00 0.00 O ATOM 773 OD2 ASP A 49 -7.246 -8.101 8.752 1.00 0.00 O ATOM 0 H ASP A 49 -6.453 -5.952 6.635 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.863 -4.156 8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.193 -6.702 8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.685 -5.881 10.107 1.00 0.00 H new ATOM 778 N ASP A 50 -3.792 -4.412 7.556 1.00 0.00 N ATOM 779 CA ASP A 50 -2.463 -3.797 7.555 1.00 0.00 C ATOM 780 C ASP A 50 -2.573 -2.385 7.036 1.00 0.00 C ATOM 781 O ASP A 50 -1.939 -1.460 7.557 1.00 0.00 O ATOM 782 CB ASP A 50 -1.458 -4.565 6.671 1.00 0.00 C ATOM 783 CG ASP A 50 -1.231 -6.006 7.070 1.00 0.00 C ATOM 784 OD1 ASP A 50 -0.867 -6.279 8.224 1.00 0.00 O ATOM 785 OD2 ASP A 50 -1.370 -6.895 6.216 1.00 0.00 O ATOM 0 H ASP A 50 -3.921 -5.138 6.851 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.095 -3.818 8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.810 -4.540 5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.502 -4.042 6.694 1.00 0.00 H new ATOM 790 N LEU A 51 -3.410 -2.214 6.016 1.00 0.00 N ATOM 791 CA LEU A 51 -3.634 -0.916 5.396 1.00 0.00 C ATOM 792 C LEU A 51 -4.317 0.041 6.379 1.00 0.00 C ATOM 793 O LEU A 51 -4.067 1.250 6.362 1.00 0.00 O ATOM 794 CB LEU A 51 -4.416 -1.080 4.060 1.00 0.00 C ATOM 795 CG LEU A 51 -4.641 0.187 3.191 1.00 0.00 C ATOM 796 CD1 LEU A 51 -4.915 -0.213 1.755 1.00 0.00 C ATOM 797 CD2 LEU A 51 -5.824 1.014 3.697 1.00 0.00 C ATOM 0 H LEU A 51 -3.950 -2.972 5.598 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.674 -0.466 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.888 -1.814 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.393 -1.503 4.294 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.735 0.790 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.072 0.681 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.064 -0.770 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.807 -0.838 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.951 1.892 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.731 0.410 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.635 1.330 4.723 1.00 0.00 H new ATOM 809 N ARG A 52 -5.139 -0.511 7.246 1.00 0.00 N ATOM 810 CA ARG A 52 -5.809 0.252 8.284 1.00 0.00 C ATOM 811 C ARG A 52 -4.756 0.913 9.186 1.00 0.00 C ATOM 812 O ARG A 52 -4.879 2.085 9.542 1.00 0.00 O ATOM 813 CB ARG A 52 -6.734 -0.673 9.079 1.00 0.00 C ATOM 814 CG ARG A 52 -7.606 0.005 10.125 1.00 0.00 C ATOM 815 CD ARG A 52 -8.531 -1.011 10.786 1.00 0.00 C ATOM 816 NE ARG A 52 -9.449 -1.644 9.806 1.00 0.00 N ATOM 817 CZ ARG A 52 -9.499 -2.962 9.522 1.00 0.00 C ATOM 818 NH1 ARG A 52 -8.703 -3.818 10.159 1.00 0.00 N ATOM 819 NH2 ARG A 52 -10.360 -3.413 8.601 1.00 0.00 N ATOM 0 H ARG A 52 -5.364 -1.506 7.253 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.420 1.040 7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.382 -1.198 8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.124 -1.427 9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.978 0.479 10.879 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.196 0.794 9.659 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.934 -1.781 11.274 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.114 -0.519 11.564 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.095 -1.032 9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.051 -3.479 10.866 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.745 -4.813 9.940 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.976 -2.761 8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.400 -4.409 8.384 1.00 0.00 H new ATOM 833 N THR A 53 -3.695 0.166 9.489 1.00 0.00 N ATOM 834 CA THR A 53 -2.586 0.679 10.272 1.00 0.00 C ATOM 835 C THR A 53 -1.788 1.714 9.441 1.00 0.00 C ATOM 836 O THR A 53 -1.351 2.742 9.963 1.00 0.00 O ATOM 837 CB THR A 53 -1.662 -0.477 10.725 1.00 0.00 C ATOM 838 OG1 THR A 53 -2.444 -1.465 11.431 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.547 0.027 11.639 1.00 0.00 C ATOM 0 H THR A 53 -3.586 -0.805 9.198 1.00 0.00 H new ATOM 0 HA THR A 53 -2.981 1.170 11.161 1.00 0.00 H new ATOM 0 HB THR A 53 -1.206 -0.916 9.838 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.862 -2.199 11.718 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.084 -0.810 11.939 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.055 0.763 11.106 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.983 0.488 12.525 1.00 0.00 H new ATOM 847 N LEU A 54 -1.637 1.437 8.137 1.00 0.00 N ATOM 848 CA LEU A 54 -0.951 2.349 7.201 1.00 0.00 C ATOM 849 C LEU A 54 -1.577 3.726 7.235 1.00 0.00 C ATOM 850 O LEU A 54 -0.883 4.738 7.402 1.00 0.00 O ATOM 851 CB LEU A 54 -1.010 1.822 5.757 1.00 0.00 C ATOM 852 CG LEU A 54 -0.230 0.554 5.451 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.390 0.173 3.987 1.00 0.00 C ATOM 854 CD2 LEU A 54 1.222 0.767 5.764 1.00 0.00 C ATOM 0 H LEU A 54 -1.983 0.582 7.701 1.00 0.00 H new ATOM 0 HA LEU A 54 0.089 2.406 7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.055 1.646 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.650 2.609 5.095 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.620 -0.256 6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.175 -0.737 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.444 0.002 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.015 0.980 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.779 -0.144 5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.609 1.585 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.334 1.015 6.820 1.00 0.00 H new ATOM 866 N ALA A 55 -2.889 3.748 7.118 1.00 0.00 N ATOM 867 CA ALA A 55 -3.663 4.972 7.114 1.00 0.00 C ATOM 868 C ALA A 55 -3.434 5.788 8.385 1.00 0.00 C ATOM 869 O ALA A 55 -3.446 7.011 8.350 1.00 0.00 O ATOM 870 CB ALA A 55 -5.132 4.650 6.935 1.00 0.00 C ATOM 0 H ALA A 55 -3.455 2.905 7.022 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.329 5.584 6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.709 5.574 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.278 4.129 5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.468 4.015 7.755 1.00 0.00 H new ATOM 876 N VAL A 56 -3.169 5.108 9.483 1.00 0.00 N ATOM 877 CA VAL A 56 -2.931 5.772 10.755 1.00 0.00 C ATOM 878 C VAL A 56 -1.555 6.441 10.745 1.00 0.00 C ATOM 879 O VAL A 56 -1.400 7.565 11.230 1.00 0.00 O ATOM 880 CB VAL A 56 -3.024 4.784 11.955 1.00 0.00 C ATOM 881 CG1 VAL A 56 -2.810 5.500 13.282 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.359 4.077 11.963 1.00 0.00 C ATOM 0 H VAL A 56 -3.112 4.090 9.522 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.709 6.525 10.882 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.231 4.046 11.832 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.881 4.782 14.099 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.823 5.963 13.291 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.572 6.269 13.408 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.403 3.392 12.809 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.159 4.812 12.049 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.480 3.517 11.036 1.00 0.00 H new ATOM 892 N ILE A 57 -0.578 5.770 10.140 1.00 0.00 N ATOM 893 CA ILE A 57 0.802 6.264 10.081 1.00 0.00 C ATOM 894 C ILE A 57 0.870 7.575 9.300 1.00 0.00 C ATOM 895 O ILE A 57 1.455 8.562 9.757 1.00 0.00 O ATOM 896 CB ILE A 57 1.766 5.244 9.387 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.638 3.857 10.021 1.00 0.00 C ATOM 898 CG2 ILE A 57 3.216 5.735 9.463 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.558 2.807 9.423 1.00 0.00 C ATOM 0 H ILE A 57 -0.716 4.871 9.677 1.00 0.00 H new ATOM 0 HA ILE A 57 1.119 6.411 11.114 1.00 0.00 H new ATOM 0 HB ILE A 57 1.481 5.168 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.844 3.938 11.088 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.607 3.519 9.921 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.871 5.013 8.975 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.301 6.699 8.961 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.509 5.843 10.507 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.402 1.855 9.930 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.338 2.693 8.362 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.595 3.119 9.547 1.00 0.00 H new ATOM 911 N TYR A 58 0.238 7.593 8.139 1.00 0.00 N ATOM 912 CA TYR A 58 0.320 8.761 7.253 1.00 0.00 C ATOM 913 C TYR A 58 -0.768 9.759 7.603 1.00 0.00 C ATOM 914 O TYR A 58 -0.850 10.845 7.016 1.00 0.00 O ATOM 915 CB TYR A 58 0.200 8.340 5.778 1.00 0.00 C ATOM 916 CG TYR A 58 0.923 7.047 5.452 1.00 0.00 C ATOM 917 CD1 TYR A 58 2.262 6.846 5.785 1.00 0.00 C ATOM 918 CD2 TYR A 58 0.244 6.007 4.859 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.878 5.636 5.520 1.00 0.00 C ATOM 920 CE2 TYR A 58 0.856 4.808 4.607 1.00 0.00 C ATOM 921 CZ TYR A 58 2.172 4.633 4.942 1.00 0.00 C ATOM 922 OH TYR A 58 2.783 3.436 4.712 1.00 0.00 O ATOM 0 H TYR A 58 -0.333 6.826 7.783 1.00 0.00 H new ATOM 0 HA TYR A 58 1.293 9.231 7.395 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.855 8.230 5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.597 9.136 5.149 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.823 7.641 6.254 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.793 6.139 4.587 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.918 5.491 5.773 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.303 4.003 4.146 1.00 0.00 H new ATOM 0 HH TYR A 58 3.231 3.135 5.530 1.00 0.00 H new ATOM 932 N ASP A 59 -1.599 9.361 8.565 1.00 0.00 N ATOM 933 CA ASP A 59 -2.711 10.153 9.088 1.00 0.00 C ATOM 934 C ASP A 59 -3.665 10.503 7.956 1.00 0.00 C ATOM 935 O ASP A 59 -3.833 11.664 7.575 1.00 0.00 O ATOM 936 CB ASP A 59 -2.201 11.402 9.829 1.00 0.00 C ATOM 937 CG ASP A 59 -3.257 12.081 10.665 1.00 0.00 C ATOM 938 OD1 ASP A 59 -3.546 11.594 11.774 1.00 0.00 O ATOM 939 OD2 ASP A 59 -3.785 13.140 10.264 1.00 0.00 O ATOM 0 H ASP A 59 -1.514 8.450 9.016 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.260 9.562 9.821 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.368 11.118 10.472 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.813 12.114 9.100 1.00 0.00 H new ATOM 944 N GLN A 60 -4.205 9.471 7.364 1.00 0.00 N ATOM 945 CA GLN A 60 -5.099 9.569 6.226 1.00 0.00 C ATOM 946 C GLN A 60 -6.289 8.656 6.432 1.00 0.00 C ATOM 947 O GLN A 60 -6.271 7.783 7.312 1.00 0.00 O ATOM 948 CB GLN A 60 -4.359 9.142 4.941 1.00 0.00 C ATOM 949 CG GLN A 60 -3.228 10.068 4.518 1.00 0.00 C ATOM 950 CD GLN A 60 -3.732 11.408 4.024 1.00 0.00 C ATOM 951 OE1 GLN A 60 -3.971 11.590 2.841 1.00 0.00 O ATOM 952 NE2 GLN A 60 -3.910 12.340 4.910 1.00 0.00 N ATOM 0 H GLN A 60 -4.035 8.511 7.663 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.437 10.601 6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.954 8.141 5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.081 9.078 4.127 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.556 10.224 5.362 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.646 9.589 3.731 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.701 12.157 5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.259 13.255 4.625 1.00 0.00 H new ATOM 961 N SER A 61 -7.305 8.861 5.644 1.00 0.00 N ATOM 962 CA SER A 61 -8.460 8.020 5.646 1.00 0.00 C ATOM 963 C SER A 61 -8.128 6.728 4.907 1.00 0.00 C ATOM 964 O SER A 61 -7.570 6.780 3.806 1.00 0.00 O ATOM 965 CB SER A 61 -9.619 8.740 4.950 1.00 0.00 C ATOM 966 OG SER A 61 -10.735 7.882 4.771 1.00 0.00 O ATOM 0 H SER A 61 -7.352 9.629 4.974 1.00 0.00 H new ATOM 0 HA SER A 61 -8.753 7.790 6.670 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.917 9.607 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.287 9.113 3.981 1.00 0.00 H new ATOM 0 HG SER A 61 -11.457 8.373 4.326 1.00 0.00 H new ATOM 972 N PRO A 62 -8.455 5.549 5.496 1.00 0.00 N ATOM 973 CA PRO A 62 -8.202 4.241 4.868 1.00 0.00 C ATOM 974 C PRO A 62 -8.814 4.154 3.473 1.00 0.00 C ATOM 975 O PRO A 62 -8.220 3.573 2.555 1.00 0.00 O ATOM 976 CB PRO A 62 -8.900 3.248 5.805 1.00 0.00 C ATOM 977 CG PRO A 62 -8.934 3.934 7.123 1.00 0.00 C ATOM 978 CD PRO A 62 -9.078 5.401 6.829 1.00 0.00 C ATOM 0 HA PRO A 62 -7.136 4.051 4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.905 3.013 5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.354 2.307 5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.767 3.575 7.727 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.022 3.738 7.688 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.124 5.708 6.819 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.574 6.012 7.578 1.00 0.00 H new ATOM 986 N SER A 63 -9.975 4.763 3.315 1.00 0.00 N ATOM 987 CA SER A 63 -10.688 4.785 2.065 1.00 0.00 C ATOM 988 C SER A 63 -9.858 5.513 0.993 1.00 0.00 C ATOM 989 O SER A 63 -9.598 4.968 -0.083 1.00 0.00 O ATOM 990 CB SER A 63 -12.014 5.495 2.296 1.00 0.00 C ATOM 991 OG SER A 63 -12.656 4.965 3.457 1.00 0.00 O ATOM 0 H SER A 63 -10.451 5.262 4.067 1.00 0.00 H new ATOM 0 HA SER A 63 -10.867 3.770 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.846 6.565 2.419 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.658 5.372 1.426 1.00 0.00 H new ATOM 0 HG SER A 63 -13.508 5.428 3.600 1.00 0.00 H new ATOM 997 N VAL A 64 -9.379 6.704 1.341 1.00 0.00 N ATOM 998 CA VAL A 64 -8.597 7.537 0.425 1.00 0.00 C ATOM 999 C VAL A 64 -7.233 6.895 0.173 1.00 0.00 C ATOM 1000 O VAL A 64 -6.724 6.904 -0.933 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.401 8.970 1.005 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.641 9.868 0.035 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -9.741 9.592 1.356 1.00 0.00 C ATOM 0 H VAL A 64 -9.520 7.120 2.262 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.143 7.615 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.805 8.878 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.523 10.859 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.659 9.440 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.197 9.948 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.583 10.592 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.359 9.655 0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.244 8.976 2.101 1.00 0.00 H new ATOM 1013 N LEU A 65 -6.698 6.294 1.208 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.398 5.635 1.181 1.00 0.00 C ATOM 1015 C LEU A 65 -5.436 4.498 0.153 1.00 0.00 C ATOM 1016 O LEU A 65 -4.588 4.431 -0.743 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.061 5.120 2.613 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.598 4.709 2.944 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -3.137 3.473 2.199 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.645 5.865 2.697 1.00 0.00 C ATOM 0 H LEU A 65 -7.158 6.244 2.117 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.613 6.330 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.351 5.898 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.697 4.257 2.810 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.587 4.453 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.108 3.243 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.780 2.631 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.191 3.654 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.628 5.555 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.698 6.163 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.924 6.708 3.329 1.00 0.00 H new ATOM 1032 N THR A 66 -6.451 3.647 0.261 1.00 0.00 N ATOM 1033 CA THR A 66 -6.641 2.537 -0.663 1.00 0.00 C ATOM 1034 C THR A 66 -6.810 3.084 -2.083 1.00 0.00 C ATOM 1035 O THR A 66 -6.187 2.602 -3.040 1.00 0.00 O ATOM 1036 CB THR A 66 -7.911 1.729 -0.284 1.00 0.00 C ATOM 1037 OG1 THR A 66 -7.846 1.344 1.093 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.046 0.477 -1.144 1.00 0.00 C ATOM 0 H THR A 66 -7.162 3.708 0.989 1.00 0.00 H new ATOM 0 HA THR A 66 -5.770 1.884 -0.610 1.00 0.00 H new ATOM 0 HB THR A 66 -8.778 2.366 -0.456 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.133 2.093 1.656 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.945 -0.068 -0.855 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.117 0.762 -2.194 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.173 -0.160 -0.999 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.592 4.146 -2.174 1.00 0.00 N ATOM 1047 CA GLU A 67 -7.921 4.789 -3.415 1.00 0.00 C ATOM 1048 C GLU A 67 -6.667 5.324 -4.109 1.00 0.00 C ATOM 1049 O GLU A 67 -6.505 5.158 -5.320 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.939 5.892 -3.146 1.00 0.00 C ATOM 1051 CG GLU A 67 -9.379 6.656 -4.359 1.00 0.00 C ATOM 1052 CD GLU A 67 -10.499 7.600 -4.049 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -11.645 7.134 -3.872 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -10.259 8.809 -3.948 1.00 0.00 O ATOM 0 H GLU A 67 -8.022 4.589 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.364 4.063 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.817 5.449 -2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.512 6.593 -2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.534 7.215 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.697 5.957 -5.133 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.775 5.930 -3.343 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.527 6.443 -3.862 1.00 0.00 C ATOM 1063 C GLN A 68 -3.673 5.328 -4.441 1.00 0.00 C ATOM 1064 O GLN A 68 -3.249 5.407 -5.583 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.767 7.199 -2.788 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.432 8.499 -2.363 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.626 9.295 -1.351 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -4.186 9.996 -0.511 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -2.319 9.237 -1.446 1.00 0.00 N ATOM 0 H GLN A 68 -5.900 6.078 -2.342 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.762 7.138 -4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.656 6.556 -1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.763 7.418 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.601 9.116 -3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.411 8.274 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.885 8.645 -2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.737 9.784 -0.812 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.464 4.270 -3.665 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.682 3.104 -4.119 1.00 0.00 C ATOM 1080 C LEU A 69 -3.251 2.507 -5.410 1.00 0.00 C ATOM 1081 O LEU A 69 -2.494 2.106 -6.314 1.00 0.00 O ATOM 1082 CB LEU A 69 -2.579 2.026 -3.020 1.00 0.00 C ATOM 1083 CG LEU A 69 -1.486 2.197 -1.932 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.098 2.040 -2.527 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -1.589 3.532 -1.219 1.00 0.00 C ATOM 0 H LEU A 69 -3.823 4.187 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.675 3.464 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.544 1.968 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.416 1.065 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.653 1.410 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.650 2.164 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.001 1.048 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.055 2.795 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.803 3.605 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.476 4.340 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.562 3.612 -0.735 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.567 2.456 -5.501 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.236 1.975 -6.702 1.00 0.00 C ATOM 1099 C ILE A 70 -4.993 2.940 -7.870 1.00 0.00 C ATOM 1100 O ILE A 70 -4.599 2.523 -8.956 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.765 1.796 -6.475 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.019 0.725 -5.408 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.472 1.430 -7.778 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.475 0.548 -5.038 1.00 0.00 C ATOM 0 H ILE A 70 -5.200 2.743 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.814 0.999 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.173 2.745 -6.126 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.629 -0.228 -5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.457 0.983 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.539 1.311 -7.592 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.318 2.222 -8.511 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.064 0.495 -8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.566 -0.228 -4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.868 1.487 -4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.042 0.258 -5.922 1.00 0.00 H new ATOM 1116 N SER A 71 -5.172 4.223 -7.613 1.00 0.00 N ATOM 1117 CA SER A 71 -5.026 5.257 -8.631 1.00 0.00 C ATOM 1118 C SER A 71 -3.575 5.373 -9.143 1.00 0.00 C ATOM 1119 O SER A 71 -3.348 5.685 -10.320 1.00 0.00 O ATOM 1120 CB SER A 71 -5.532 6.594 -8.088 1.00 0.00 C ATOM 1121 OG SER A 71 -6.878 6.466 -7.613 1.00 0.00 O ATOM 0 H SER A 71 -5.423 4.582 -6.692 1.00 0.00 H new ATOM 0 HA SER A 71 -5.633 4.971 -9.490 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.885 6.933 -7.279 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.487 7.352 -8.870 1.00 0.00 H new ATOM 0 HG SER A 71 -6.872 6.076 -6.714 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.595 5.100 -8.276 1.00 0.00 N ATOM 1128 CA TRP A 72 -1.185 5.136 -8.688 1.00 0.00 C ATOM 1129 C TRP A 72 -0.848 3.929 -9.561 1.00 0.00 C ATOM 1130 O TRP A 72 0.171 3.915 -10.258 1.00 0.00 O ATOM 1131 CB TRP A 72 -0.231 5.123 -7.487 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.340 6.267 -6.521 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.805 7.531 -6.753 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.086 6.242 -5.159 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.717 8.279 -5.598 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.167 7.510 -4.613 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.649 5.260 -4.350 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 0.127 7.821 -3.291 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.944 5.568 -3.036 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.682 6.839 -2.519 1.00 0.00 C ATOM 0 H TRP A 72 -2.746 4.855 -7.298 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.053 6.065 -9.243 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.392 4.197 -6.936 1.00 0.00 H new ATOM 0 HB3 TRP A 72 0.791 5.095 -7.866 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -1.184 7.890 -7.698 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.015 9.249 -5.496 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.852 4.274 -4.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.076 8.802 -2.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.384 4.815 -2.399 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.923 7.050 -1.488 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.704 2.924 -9.517 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.488 1.729 -10.295 1.00 0.00 C ATOM 1153 C GLY A 73 -0.690 0.702 -9.544 1.00 0.00 C ATOM 1154 O GLY A 73 -0.117 -0.210 -10.140 1.00 0.00 O ATOM 0 H GLY A 73 -2.552 2.916 -8.950 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.450 1.303 -10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.969 1.987 -11.218 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.649 0.849 -8.240 1.00 0.00 N ATOM 1159 CA VAL A 74 0.088 -0.063 -7.381 1.00 0.00 C ATOM 1160 C VAL A 74 -0.839 -1.169 -6.918 1.00 0.00 C ATOM 1161 O VAL A 74 -0.486 -2.348 -6.950 1.00 0.00 O ATOM 1162 CB VAL A 74 0.670 0.678 -6.140 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.468 -0.264 -5.251 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.530 1.857 -6.566 1.00 0.00 C ATOM 0 H VAL A 74 -1.123 1.601 -7.741 1.00 0.00 H new ATOM 0 HA VAL A 74 0.919 -0.479 -7.951 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.173 1.054 -5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.859 0.287 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.821 -1.068 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.296 -0.687 -5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.925 2.358 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.357 1.501 -7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.926 2.559 -7.141 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.025 -0.784 -6.516 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.005 -1.721 -6.044 1.00 0.00 C ATOM 1176 C LEU A 75 -4.065 -1.907 -7.118 1.00 0.00 C ATOM 1177 O LEU A 75 -4.297 -1.003 -7.939 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.624 -1.215 -4.726 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.657 -2.126 -4.040 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -4.051 -3.474 -3.684 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.208 -1.453 -2.793 1.00 0.00 C ATOM 0 H LEU A 75 -2.335 0.188 -6.508 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.538 -2.685 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.814 -1.032 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.099 -0.254 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.473 -2.297 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.805 -4.096 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.701 -3.967 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.212 -3.327 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.938 -2.109 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.393 -1.253 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.689 -0.514 -3.068 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.668 -3.072 -7.137 1.00 0.00 N ATOM 1194 CA ASP A 76 -5.704 -3.404 -8.104 1.00 0.00 C ATOM 1195 C ASP A 76 -7.017 -2.760 -7.676 1.00 0.00 C ATOM 1196 O ASP A 76 -7.267 -2.615 -6.478 1.00 0.00 O ATOM 1197 CB ASP A 76 -5.859 -4.928 -8.200 1.00 0.00 C ATOM 1198 CG ASP A 76 -6.823 -5.359 -9.281 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -6.397 -5.469 -10.461 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -8.012 -5.599 -8.979 1.00 0.00 O ATOM 0 H ASP A 76 -4.457 -3.825 -6.481 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.425 -3.023 -9.086 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.884 -5.375 -8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.203 -5.313 -7.240 1.00 0.00 H new ATOM 1205 N ALA A 77 -7.839 -2.379 -8.640 1.00 0.00 N ATOM 1206 CA ALA A 77 -9.095 -1.678 -8.380 1.00 0.00 C ATOM 1207 C ALA A 77 -10.050 -2.475 -7.505 1.00 0.00 C ATOM 1208 O ALA A 77 -10.489 -1.987 -6.488 1.00 0.00 O ATOM 1209 CB ALA A 77 -9.772 -1.273 -9.675 1.00 0.00 C ATOM 0 H ALA A 77 -7.657 -2.546 -9.630 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.832 -0.779 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.704 -0.754 -9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.114 -0.611 -10.238 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.986 -2.163 -10.268 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.315 -3.722 -7.873 1.00 0.00 N ATOM 1216 CA ASP A 78 -11.282 -4.599 -7.153 1.00 0.00 C ATOM 1217 C ASP A 78 -10.966 -4.786 -5.683 1.00 0.00 C ATOM 1218 O ASP A 78 -11.861 -5.106 -4.881 1.00 0.00 O ATOM 1219 CB ASP A 78 -11.413 -5.968 -7.812 1.00 0.00 C ATOM 1220 CG ASP A 78 -12.315 -5.978 -9.006 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -11.858 -5.648 -10.122 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -13.494 -6.356 -8.869 1.00 0.00 O ATOM 0 H ASP A 78 -9.875 -4.171 -8.676 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.231 -4.067 -7.221 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.424 -6.313 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.789 -6.680 -7.078 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.719 -4.557 -5.320 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.257 -4.682 -3.951 1.00 0.00 C ATOM 1229 C ALA A 79 -9.990 -3.710 -3.016 1.00 0.00 C ATOM 1230 O ALA A 79 -10.106 -3.955 -1.817 1.00 0.00 O ATOM 1231 CB ALA A 79 -7.758 -4.480 -3.881 1.00 0.00 C ATOM 0 H ALA A 79 -8.989 -4.276 -5.975 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.486 -5.691 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.426 -4.577 -2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.261 -5.232 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.507 -3.486 -4.251 1.00 0.00 H new ATOM 1237 N ARG A 80 -10.504 -2.615 -3.586 1.00 0.00 N ATOM 1238 CA ARG A 80 -11.252 -1.586 -2.841 1.00 0.00 C ATOM 1239 C ARG A 80 -12.436 -2.183 -2.069 1.00 0.00 C ATOM 1240 O ARG A 80 -12.756 -1.737 -0.972 1.00 0.00 O ATOM 1241 CB ARG A 80 -11.755 -0.481 -3.799 1.00 0.00 C ATOM 1242 CG ARG A 80 -12.719 -0.980 -4.876 1.00 0.00 C ATOM 1243 CD ARG A 80 -12.991 0.071 -5.938 1.00 0.00 C ATOM 1244 NE ARG A 80 -13.721 1.227 -5.407 1.00 0.00 N ATOM 1245 CZ ARG A 80 -14.591 1.982 -6.098 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -14.858 1.722 -7.371 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -15.174 3.011 -5.509 1.00 0.00 N ATOM 0 H ARG A 80 -10.415 -2.413 -4.582 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.564 -1.151 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.250 0.294 -3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -10.896 -0.016 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.304 -1.871 -5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.659 -1.275 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.045 0.406 -6.364 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.565 -0.376 -6.749 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.554 1.478 -4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.400 0.940 -7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.521 2.305 -7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.963 3.228 -4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.836 3.588 -6.028 1.00 0.00 H new ATOM 1261 N ARG A 81 -13.036 -3.241 -2.612 1.00 0.00 N ATOM 1262 CA ARG A 81 -14.223 -3.834 -2.001 1.00 0.00 C ATOM 1263 C ARG A 81 -13.845 -4.703 -0.814 1.00 0.00 C ATOM 1264 O ARG A 81 -14.685 -5.038 0.015 1.00 0.00 O ATOM 1265 CB ARG A 81 -15.032 -4.637 -3.011 1.00 0.00 C ATOM 1266 CG ARG A 81 -15.385 -3.862 -4.266 1.00 0.00 C ATOM 1267 CD ARG A 81 -16.327 -4.646 -5.147 1.00 0.00 C ATOM 1268 NE ARG A 81 -17.690 -4.678 -4.608 1.00 0.00 N ATOM 1269 CZ ARG A 81 -18.616 -5.598 -4.892 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -18.316 -6.658 -5.639 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -19.842 -5.450 -4.424 1.00 0.00 N ATOM 0 H ARG A 81 -12.723 -3.702 -3.466 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.849 -3.015 -1.647 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.467 -5.526 -3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.951 -4.980 -2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.845 -2.912 -3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.476 -3.628 -4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.342 -4.205 -6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.957 -5.665 -5.256 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.954 -3.935 -3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.370 -6.775 -6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.032 -7.353 -5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.075 -4.639 -3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.556 -6.147 -4.635 1.00 0.00 H new