USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 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 46 GLN : amide:sc= -3.42 K(o=-3.5,f=-12!) USER MOD Set 1.2: A 76 TYR OH : rot 30:sc= -0.0521 USER MOD Single : A 9 SER OG : rot -65:sc= 0.577 USER MOD Single : A 19 THR OG1 : rot -61:sc= 0.88 USER MOD Single : A 26 HIS : no HE2:sc= -7.97! C(o=-8!,f=-11!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 110:sc= -1.46 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 105:sc= 0.922 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -46:sc= -1.17 USER MOD Single : A 92 SER OG : rot -53:sc= -0.622 USER MOD Single : A 93 ASN : amide:sc= -4.79! C(o=-4.8!,f=-8!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -8.02! C(o=-8!,f=-12!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.133 16.870 -4.955 1.00 0.00 N ATOM 67 CA LEU A 8 4.388 15.966 -4.096 1.00 0.00 C ATOM 68 C LEU A 8 5.319 14.859 -3.598 1.00 0.00 C ATOM 69 O LEU A 8 5.846 14.082 -4.393 1.00 0.00 O ATOM 70 CB LEU A 8 3.144 15.445 -4.819 1.00 0.00 C ATOM 71 CG LEU A 8 2.343 14.367 -4.084 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.760 14.912 -2.779 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.264 13.773 -4.991 1.00 0.00 C ATOM 0 HA LEU A 8 4.020 16.493 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.483 16.289 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.450 15.046 -5.786 1.00 0.00 H new ATOM 0 HG LEU A 8 3.022 13.557 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.196 14.126 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.570 15.248 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.099 15.750 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.709 13.010 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.581 14.561 -5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.732 13.324 -5.867 1.00 0.00 H new ATOM 85 N SER A 9 5.492 14.822 -2.285 1.00 0.00 N ATOM 86 CA SER A 9 6.350 13.822 -1.672 1.00 0.00 C ATOM 87 C SER A 9 5.569 12.525 -1.453 1.00 0.00 C ATOM 88 O SER A 9 4.400 12.557 -1.072 1.00 0.00 O ATOM 89 CB SER A 9 6.923 14.328 -0.346 1.00 0.00 C ATOM 90 OG SER A 9 5.905 14.549 0.626 1.00 0.00 O ATOM 0 H SER A 9 5.053 15.468 -1.629 1.00 0.00 H new ATOM 0 HA SER A 9 7.184 13.626 -2.346 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.640 13.603 0.039 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.468 15.256 -0.517 1.00 0.00 H new ATOM 0 HG SER A 9 5.322 15.279 0.329 1.00 0.00 H new ATOM 96 N PRO A 10 6.264 11.385 -1.709 1.00 0.00 N ATOM 97 CA PRO A 10 5.649 10.080 -1.543 1.00 0.00 C ATOM 98 C PRO A 10 5.527 9.714 -0.062 1.00 0.00 C ATOM 99 O PRO A 10 6.018 10.439 0.802 1.00 0.00 O ATOM 100 CB PRO A 10 6.539 9.123 -2.320 1.00 0.00 C ATOM 101 CG PRO A 10 7.865 9.843 -2.502 1.00 0.00 C ATOM 102 CD PRO A 10 7.651 11.309 -2.161 1.00 0.00 C ATOM 0 HA PRO A 10 4.627 10.047 -1.920 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.674 8.187 -1.778 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.095 8.872 -3.283 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.627 9.408 -1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.219 9.737 -3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.340 11.639 -1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.820 11.946 -3.029 1.00 0.00 H new ATOM 110 N PRO A 11 4.854 8.560 0.191 1.00 0.00 N ATOM 111 CA PRO A 11 4.662 8.090 1.553 1.00 0.00 C ATOM 112 C PRO A 11 5.956 7.499 2.116 1.00 0.00 C ATOM 113 O PRO A 11 6.933 7.330 1.389 1.00 0.00 O ATOM 114 CB PRO A 11 3.535 7.074 1.463 1.00 0.00 C ATOM 115 CG PRO A 11 3.452 6.671 -0.001 1.00 0.00 C ATOM 116 CD PRO A 11 4.259 7.676 -0.807 1.00 0.00 C ATOM 0 HA PRO A 11 4.402 8.893 2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.737 6.209 2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.593 7.504 1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.845 5.664 -0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.415 6.658 -0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.025 7.181 -1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.624 8.230 -1.498 1.00 0.00 H new ATOM 124 N ARG A 12 5.920 7.201 3.407 1.00 0.00 N ATOM 125 CA ARG A 12 7.077 6.632 4.076 1.00 0.00 C ATOM 126 C ARG A 12 6.633 5.650 5.162 1.00 0.00 C ATOM 127 O ARG A 12 5.448 5.562 5.477 1.00 0.00 O ATOM 128 CB ARG A 12 7.940 7.726 4.709 1.00 0.00 C ATOM 129 CG ARG A 12 7.633 9.092 4.092 1.00 0.00 C ATOM 130 CD ARG A 12 8.394 10.204 4.816 1.00 0.00 C ATOM 131 NE ARG A 12 7.904 10.330 6.207 1.00 0.00 N ATOM 132 CZ ARG A 12 8.391 9.632 7.241 1.00 0.00 C ATOM 133 NH1 ARG A 12 9.385 8.754 7.048 1.00 0.00 N ATOM 134 NH2 ARG A 12 7.885 9.811 8.469 1.00 0.00 N ATOM 0 H ARG A 12 5.107 7.343 4.007 1.00 0.00 H new ATOM 0 HA ARG A 12 7.668 6.106 3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.760 7.760 5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.995 7.489 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.905 9.088 3.037 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.562 9.286 4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.462 9.985 4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.263 11.149 4.288 1.00 0.00 H new ATOM 0 HE ARG A 12 7.148 10.990 6.389 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.771 8.617 6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.756 8.222 7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.129 10.479 8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.256 9.279 9.256 1.00 0.00 H new ATOM 148 N GLY A 13 7.609 4.937 5.705 1.00 0.00 N ATOM 149 CA GLY A 13 7.334 3.964 6.748 1.00 0.00 C ATOM 150 C GLY A 13 6.123 3.101 6.388 1.00 0.00 C ATOM 151 O GLY A 13 5.093 3.159 7.060 1.00 0.00 O ATOM 0 H GLY A 13 8.591 5.014 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.207 3.328 6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.151 4.479 7.691 1.00 0.00 H new ATOM 155 N LEU A 14 6.286 2.322 5.330 1.00 0.00 N ATOM 156 CA LEU A 14 5.218 1.448 4.873 1.00 0.00 C ATOM 157 C LEU A 14 5.540 0.006 5.269 1.00 0.00 C ATOM 158 O LEU A 14 6.524 -0.566 4.802 1.00 0.00 O ATOM 159 CB LEU A 14 4.979 1.634 3.373 1.00 0.00 C ATOM 160 CG LEU A 14 4.047 0.617 2.711 1.00 0.00 C ATOM 161 CD1 LEU A 14 2.580 0.990 2.936 1.00 0.00 C ATOM 162 CD2 LEU A 14 4.376 0.457 1.226 1.00 0.00 C ATOM 0 H LEU A 14 7.141 2.277 4.776 1.00 0.00 H new ATOM 0 HA LEU A 14 4.278 1.710 5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.570 2.631 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.943 1.599 2.865 1.00 0.00 H new ATOM 0 HG LEU A 14 4.209 -0.352 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.939 0.251 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.370 1.012 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.385 1.973 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.699 -0.271 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.260 1.417 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.404 0.112 1.116 1.00 0.00 H new ATOM 174 N VAL A 15 4.693 -0.541 6.129 1.00 0.00 N ATOM 175 CA VAL A 15 4.875 -1.905 6.594 1.00 0.00 C ATOM 176 C VAL A 15 3.549 -2.661 6.476 1.00 0.00 C ATOM 177 O VAL A 15 2.479 -2.066 6.591 1.00 0.00 O ATOM 178 CB VAL A 15 5.437 -1.902 8.017 1.00 0.00 C ATOM 179 CG1 VAL A 15 6.930 -1.567 8.016 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.658 -0.937 8.912 1.00 0.00 C ATOM 0 H VAL A 15 3.879 -0.064 6.516 1.00 0.00 H new ATOM 0 HA VAL A 15 5.603 -2.427 5.973 1.00 0.00 H new ATOM 0 HB VAL A 15 5.320 -2.906 8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.305 -1.571 9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.469 -2.310 7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.081 -0.580 7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.078 -0.954 9.918 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.728 0.072 8.507 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.612 -1.240 8.950 1.00 0.00 H new ATOM 190 N ALA A 16 3.664 -3.961 6.248 1.00 0.00 N ATOM 191 CA ALA A 16 2.488 -4.804 6.114 1.00 0.00 C ATOM 192 C ALA A 16 2.404 -5.749 7.314 1.00 0.00 C ATOM 193 O ALA A 16 3.294 -6.572 7.524 1.00 0.00 O ATOM 194 CB ALA A 16 2.549 -5.556 4.783 1.00 0.00 C ATOM 0 H ALA A 16 4.553 -4.451 6.153 1.00 0.00 H new ATOM 0 HA ALA A 16 1.581 -4.200 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.667 -6.189 4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.578 -4.840 3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.445 -6.176 4.756 1.00 0.00 H new ATOM 200 N VAL A 17 1.326 -5.600 8.069 1.00 0.00 N ATOM 201 CA VAL A 17 1.114 -6.431 9.243 1.00 0.00 C ATOM 202 C VAL A 17 0.006 -7.445 8.951 1.00 0.00 C ATOM 203 O VAL A 17 -1.164 -7.081 8.850 1.00 0.00 O ATOM 204 CB VAL A 17 0.814 -5.552 10.458 1.00 0.00 C ATOM 205 CG1 VAL A 17 -0.337 -4.586 10.166 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.513 -6.406 11.692 1.00 0.00 C ATOM 0 H VAL A 17 0.590 -4.917 7.891 1.00 0.00 H new ATOM 0 HA VAL A 17 2.016 -6.994 9.481 1.00 0.00 H new ATOM 0 HB VAL A 17 1.704 -4.959 10.670 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.530 -3.973 11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.069 -3.943 9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.233 -5.153 9.916 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.303 -5.756 12.542 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.354 -7.037 11.495 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.375 -7.034 11.919 1.00 0.00 H new ATOM 216 N ARG A 18 0.415 -8.699 8.822 1.00 0.00 N ATOM 217 CA ARG A 18 -0.527 -9.769 8.544 1.00 0.00 C ATOM 218 C ARG A 18 -1.466 -9.973 9.735 1.00 0.00 C ATOM 219 O ARG A 18 -1.012 -10.213 10.853 1.00 0.00 O ATOM 220 CB ARG A 18 0.201 -11.081 8.246 1.00 0.00 C ATOM 221 CG ARG A 18 -0.584 -11.928 7.242 1.00 0.00 C ATOM 222 CD ARG A 18 -0.898 -13.310 7.818 1.00 0.00 C ATOM 223 NE ARG A 18 -1.645 -14.115 6.826 1.00 0.00 N ATOM 224 CZ ARG A 18 -2.955 -13.976 6.579 1.00 0.00 C ATOM 225 NH1 ARG A 18 -3.670 -13.063 7.250 1.00 0.00 N ATOM 226 NH2 ARG A 18 -3.549 -14.749 5.660 1.00 0.00 N ATOM 0 H ARG A 18 1.387 -8.998 8.905 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.106 -9.481 7.666 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.194 -10.868 7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.340 -11.642 9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.512 -11.420 6.979 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.008 -12.035 6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.027 -13.819 8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.484 -13.208 8.731 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.131 -14.820 6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.217 -12.474 7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.667 -12.957 7.062 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.004 -15.443 5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.546 -14.643 5.472 1.00 0.00 H new ATOM 240 N THR A 19 -2.757 -9.871 9.455 1.00 0.00 N ATOM 241 CA THR A 19 -3.762 -10.041 10.490 1.00 0.00 C ATOM 242 C THR A 19 -4.776 -11.110 10.077 1.00 0.00 C ATOM 243 O THR A 19 -4.786 -11.551 8.929 1.00 0.00 O ATOM 244 CB THR A 19 -4.396 -8.676 10.763 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.454 -8.588 9.812 1.00 0.00 O ATOM 246 CG2 THR A 19 -3.468 -7.516 10.396 1.00 0.00 C ATOM 0 H THR A 19 -3.130 -9.673 8.527 1.00 0.00 H new ATOM 0 HA THR A 19 -3.317 -10.400 11.418 1.00 0.00 H new ATOM 0 HB THR A 19 -4.666 -8.606 11.817 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.084 -8.632 8.906 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.966 -6.570 10.609 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.552 -7.584 10.982 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.224 -7.567 9.335 1.00 0.00 H new ATOM 254 N PRO A 20 -5.626 -11.507 11.062 1.00 0.00 N ATOM 255 CA PRO A 20 -6.642 -12.516 10.812 1.00 0.00 C ATOM 256 C PRO A 20 -7.800 -11.938 9.997 1.00 0.00 C ATOM 257 O PRO A 20 -8.749 -12.649 9.670 1.00 0.00 O ATOM 258 CB PRO A 20 -7.066 -12.995 12.191 1.00 0.00 C ATOM 259 CG PRO A 20 -6.616 -11.918 13.164 1.00 0.00 C ATOM 260 CD PRO A 20 -5.643 -11.007 12.434 1.00 0.00 C ATOM 0 HA PRO A 20 -6.272 -13.347 10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.145 -13.139 12.240 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.606 -13.954 12.430 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.472 -11.349 13.527 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.139 -12.366 14.035 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.969 -9.967 12.473 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.650 -11.047 12.883 1.00 0.00 H new ATOM 268 N ARG A 21 -7.685 -10.653 9.693 1.00 0.00 N ATOM 269 CA ARG A 21 -8.711 -9.972 8.923 1.00 0.00 C ATOM 270 C ARG A 21 -8.162 -9.560 7.555 1.00 0.00 C ATOM 271 O ARG A 21 -8.923 -9.189 6.663 1.00 0.00 O ATOM 272 CB ARG A 21 -9.217 -8.729 9.657 1.00 0.00 C ATOM 273 CG ARG A 21 -9.645 -9.072 11.085 1.00 0.00 C ATOM 274 CD ARG A 21 -10.615 -8.023 11.634 1.00 0.00 C ATOM 275 NE ARG A 21 -11.628 -8.673 12.495 1.00 0.00 N ATOM 276 CZ ARG A 21 -12.823 -8.139 12.783 1.00 0.00 C ATOM 277 NH1 ARG A 21 -13.162 -6.944 12.280 1.00 0.00 N ATOM 278 NH2 ARG A 21 -13.680 -8.800 13.573 1.00 0.00 N ATOM 0 H ARG A 21 -6.897 -10.066 9.966 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.542 -10.665 8.792 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.433 -7.972 9.680 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.059 -8.299 9.114 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.118 -10.054 11.101 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.766 -9.132 11.727 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.068 -7.273 12.205 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.105 -7.503 10.811 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.403 -9.584 12.894 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.510 -6.441 11.678 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.072 -6.538 12.499 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.423 -9.710 13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.589 -8.393 13.792 1.00 0.00 H new ATOM 292 N GLY A 22 -6.845 -9.639 7.434 1.00 0.00 N ATOM 293 CA GLY A 22 -6.185 -9.278 6.190 1.00 0.00 C ATOM 294 C GLY A 22 -4.776 -8.745 6.452 1.00 0.00 C ATOM 295 O GLY A 22 -4.107 -9.180 7.389 1.00 0.00 O ATOM 0 H GLY A 22 -6.217 -9.947 8.176 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.133 -10.148 5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.772 -8.522 5.668 1.00 0.00 H new ATOM 299 N VAL A 23 -4.365 -7.810 5.608 1.00 0.00 N ATOM 300 CA VAL A 23 -3.047 -7.213 5.736 1.00 0.00 C ATOM 301 C VAL A 23 -3.187 -5.692 5.826 1.00 0.00 C ATOM 302 O VAL A 23 -3.683 -5.055 4.898 1.00 0.00 O ATOM 303 CB VAL A 23 -2.153 -7.663 4.578 1.00 0.00 C ATOM 304 CG1 VAL A 23 -0.987 -6.693 4.376 1.00 0.00 C ATOM 305 CG2 VAL A 23 -1.647 -9.090 4.800 1.00 0.00 C ATOM 0 H VAL A 23 -4.922 -7.451 4.833 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.563 -7.550 6.653 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.754 -7.658 3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.368 -7.036 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.375 -5.699 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.387 -6.652 5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.014 -9.386 3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.070 -9.132 5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.496 -9.770 4.871 1.00 0.00 H new ATOM 315 N LEU A 24 -2.741 -5.154 6.951 1.00 0.00 N ATOM 316 CA LEU A 24 -2.811 -3.720 7.174 1.00 0.00 C ATOM 317 C LEU A 24 -1.467 -3.085 6.811 1.00 0.00 C ATOM 318 O LEU A 24 -0.430 -3.471 7.347 1.00 0.00 O ATOM 319 CB LEU A 24 -3.265 -3.422 8.605 1.00 0.00 C ATOM 320 CG LEU A 24 -4.656 -2.801 8.752 1.00 0.00 C ATOM 321 CD1 LEU A 24 -5.176 -2.955 10.182 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.656 -1.341 8.296 1.00 0.00 C ATOM 0 H LEU A 24 -2.330 -5.685 7.718 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.562 -3.270 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.242 -4.352 9.173 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.539 -2.750 9.063 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.342 -3.341 8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.166 -2.505 10.260 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.237 -4.013 10.435 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.496 -2.456 10.872 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.656 -0.924 8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.953 -0.770 8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.358 -1.287 7.249 1.00 0.00 H new ATOM 334 N LEU A 25 -1.530 -2.123 5.902 1.00 0.00 N ATOM 335 CA LEU A 25 -0.331 -1.431 5.460 1.00 0.00 C ATOM 336 C LEU A 25 -0.219 -0.094 6.196 1.00 0.00 C ATOM 337 O LEU A 25 -0.992 0.827 5.938 1.00 0.00 O ATOM 338 CB LEU A 25 -0.320 -1.298 3.936 1.00 0.00 C ATOM 339 CG LEU A 25 -0.307 -2.609 3.148 1.00 0.00 C ATOM 340 CD1 LEU A 25 0.396 -3.716 3.936 1.00 0.00 C ATOM 341 CD2 LEU A 25 -1.723 -3.013 2.732 1.00 0.00 C ATOM 0 H LEU A 25 -2.393 -1.806 5.459 1.00 0.00 H new ATOM 0 HA LEU A 25 0.558 -2.009 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.197 -0.725 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.555 -0.716 3.648 1.00 0.00 H new ATOM 0 HG LEU A 25 0.265 -2.452 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.391 -4.637 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.425 -3.421 4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.127 -3.880 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.685 -3.948 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.339 -3.146 3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.154 -2.233 2.105 1.00 0.00 H new ATOM 353 N HIS A 26 0.751 -0.030 7.096 1.00 0.00 N ATOM 354 CA HIS A 26 0.974 1.178 7.871 1.00 0.00 C ATOM 355 C HIS A 26 2.003 2.060 7.160 1.00 0.00 C ATOM 356 O HIS A 26 3.187 1.728 7.118 1.00 0.00 O ATOM 357 CB HIS A 26 1.377 0.837 9.307 1.00 0.00 C ATOM 358 CG HIS A 26 0.546 -0.256 9.934 1.00 0.00 C ATOM 359 ND1 HIS A 26 0.731 -0.685 11.237 1.00 0.00 N ATOM 360 CD2 HIS A 26 -0.476 -1.002 9.425 1.00 0.00 C ATOM 361 CE1 HIS A 26 -0.145 -1.646 11.490 1.00 0.00 C ATOM 362 NE2 HIS A 26 -0.892 -1.842 10.365 1.00 0.00 N ATOM 0 H HIS A 26 1.392 -0.796 7.306 1.00 0.00 H new ATOM 0 HA HIS A 26 0.046 1.745 7.942 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.424 0.535 9.318 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.298 1.736 9.919 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.424 -0.323 11.891 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.879 -0.923 8.426 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.250 -2.180 12.423 1.00 0.00 H new ATOM 370 N TRP A 27 1.515 3.166 6.619 1.00 0.00 N ATOM 371 CA TRP A 27 2.377 4.098 5.913 1.00 0.00 C ATOM 372 C TRP A 27 2.336 5.436 6.654 1.00 0.00 C ATOM 373 O TRP A 27 1.612 5.582 7.638 1.00 0.00 O ATOM 374 CB TRP A 27 1.968 4.217 4.443 1.00 0.00 C ATOM 375 CG TRP A 27 0.597 4.861 4.228 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.296 6.167 4.192 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.654 4.172 4.021 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.052 6.369 3.976 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.648 5.117 3.869 1.00 0.00 C ATOM 380 CE3 TRP A 27 -0.936 2.796 3.963 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -2.991 4.789 3.650 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.283 2.484 3.743 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.296 3.424 3.589 1.00 0.00 C ATOM 0 H TRP A 27 0.533 3.438 6.655 1.00 0.00 H new ATOM 0 HA TRP A 27 3.406 3.738 5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.720 4.802 3.914 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.965 3.223 3.996 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.018 6.961 4.316 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.524 7.271 3.907 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.174 2.040 4.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.751 5.548 3.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.554 1.440 3.689 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.314 3.103 3.423 1.00 0.00 H new ATOM 394 N ASP A 28 3.122 6.378 6.154 1.00 0.00 N ATOM 395 CA ASP A 28 3.184 7.698 6.757 1.00 0.00 C ATOM 396 C ASP A 28 2.754 8.745 5.727 1.00 0.00 C ATOM 397 O ASP A 28 2.983 8.575 4.531 1.00 0.00 O ATOM 398 CB ASP A 28 4.609 8.033 7.204 1.00 0.00 C ATOM 399 CG ASP A 28 4.826 8.037 8.718 1.00 0.00 C ATOM 400 OD1 ASP A 28 4.058 8.750 9.400 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.756 7.328 9.160 1.00 0.00 O ATOM 0 H ASP A 28 3.721 6.253 5.338 1.00 0.00 H new ATOM 0 HA ASP A 28 2.523 7.704 7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.293 7.313 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.876 9.014 6.811 1.00 0.00 H new ATOM 406 N PRO A 29 2.122 9.833 6.243 1.00 0.00 N ATOM 407 CA PRO A 29 1.657 10.907 5.382 1.00 0.00 C ATOM 408 C PRO A 29 2.826 11.771 4.904 1.00 0.00 C ATOM 409 O PRO A 29 3.746 12.057 5.670 1.00 0.00 O ATOM 410 CB PRO A 29 0.654 11.679 6.223 1.00 0.00 C ATOM 411 CG PRO A 29 0.935 11.295 7.666 1.00 0.00 C ATOM 412 CD PRO A 29 1.833 10.068 7.655 1.00 0.00 C ATOM 0 HA PRO A 29 1.192 10.541 4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.766 12.753 6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.368 11.424 5.943 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.419 12.118 8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.005 11.083 8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.747 10.241 8.223 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.336 9.209 8.106 1.00 0.00 H new ATOM 420 N PRO A 30 2.751 12.172 3.607 1.00 0.00 N ATOM 421 CA PRO A 30 3.792 12.997 3.017 1.00 0.00 C ATOM 422 C PRO A 30 3.689 14.443 3.507 1.00 0.00 C ATOM 423 O PRO A 30 2.615 15.042 3.463 1.00 0.00 O ATOM 424 CB PRO A 30 3.597 12.863 1.516 1.00 0.00 C ATOM 425 CG PRO A 30 2.180 12.348 1.324 1.00 0.00 C ATOM 426 CD PRO A 30 1.678 11.853 2.670 1.00 0.00 C ATOM 0 HA PRO A 30 4.794 12.679 3.305 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.735 13.822 1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.325 12.174 1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.534 13.140 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.163 11.542 0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.747 12.346 2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.477 10.782 2.648 1.00 0.00 H new ATOM 434 N GLU A 31 4.820 14.963 3.962 1.00 0.00 N ATOM 435 CA GLU A 31 4.870 16.327 4.459 1.00 0.00 C ATOM 436 C GLU A 31 4.821 17.318 3.295 1.00 0.00 C ATOM 437 O GLU A 31 4.039 18.268 3.316 1.00 0.00 O ATOM 438 CB GLU A 31 6.116 16.552 5.318 1.00 0.00 C ATOM 439 CG GLU A 31 6.238 18.019 5.733 1.00 0.00 C ATOM 440 CD GLU A 31 6.089 18.175 7.248 1.00 0.00 C ATOM 441 OE1 GLU A 31 6.461 17.215 7.956 1.00 0.00 O ATOM 442 OE2 GLU A 31 5.607 19.251 7.663 1.00 0.00 O ATOM 0 H GLU A 31 5.709 14.464 3.997 1.00 0.00 H new ATOM 0 HA GLU A 31 3.998 16.495 5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.068 15.922 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.004 16.253 4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.205 18.411 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.474 18.609 5.226 1.00 0.00 H new ATOM 449 N LEU A 32 5.666 17.064 2.306 1.00 0.00 N ATOM 450 CA LEU A 32 5.729 17.922 1.136 1.00 0.00 C ATOM 451 C LEU A 32 4.541 17.617 0.220 1.00 0.00 C ATOM 452 O LEU A 32 4.450 16.526 -0.340 1.00 0.00 O ATOM 453 CB LEU A 32 7.088 17.789 0.446 1.00 0.00 C ATOM 454 CG LEU A 32 8.122 18.862 0.789 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.307 18.811 -0.177 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.479 20.250 0.834 1.00 0.00 C ATOM 0 H LEU A 32 6.313 16.275 2.292 1.00 0.00 H new ATOM 0 HA LEU A 32 5.647 18.969 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.507 16.815 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.928 17.798 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 32 8.510 18.655 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.027 19.584 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.785 17.833 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.954 18.979 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.237 20.994 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.045 20.482 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.697 20.264 1.593 1.00 0.00 H new ATOM 468 N VAL A 33 3.661 18.600 0.097 1.00 0.00 N ATOM 469 CA VAL A 33 2.484 18.449 -0.740 1.00 0.00 C ATOM 470 C VAL A 33 2.243 19.748 -1.512 1.00 0.00 C ATOM 471 O VAL A 33 2.449 20.838 -0.980 1.00 0.00 O ATOM 472 CB VAL A 33 1.285 18.029 0.113 1.00 0.00 C ATOM 473 CG1 VAL A 33 0.244 17.290 -0.731 1.00 0.00 C ATOM 474 CG2 VAL A 33 1.730 17.178 1.304 1.00 0.00 C ATOM 0 H VAL A 33 3.740 19.504 0.563 1.00 0.00 H new ATOM 0 HA VAL A 33 2.636 17.658 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 33 0.819 18.933 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.598 17.003 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.107 17.943 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.694 16.397 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.859 16.893 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.233 16.281 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.416 17.753 1.926 1.00 0.00 H new ATOM 484 N PRO A 34 1.799 19.585 -2.787 1.00 0.00 N ATOM 485 CA PRO A 34 1.528 20.732 -3.637 1.00 0.00 C ATOM 486 C PRO A 34 0.221 21.418 -3.233 1.00 0.00 C ATOM 487 O PRO A 34 -0.048 22.544 -3.648 1.00 0.00 O ATOM 488 CB PRO A 34 1.493 20.174 -5.051 1.00 0.00 C ATOM 489 CG PRO A 34 1.283 18.676 -4.903 1.00 0.00 C ATOM 490 CD PRO A 34 1.543 18.310 -3.451 1.00 0.00 C ATOM 0 HA PRO A 34 2.287 21.510 -3.548 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.687 20.626 -5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.423 20.388 -5.578 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.267 18.403 -5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.958 18.129 -5.561 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.686 17.800 -3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.396 17.637 -3.359 1.00 0.00 H new ATOM 498 N LYS A 35 -0.557 20.710 -2.427 1.00 0.00 N ATOM 499 CA LYS A 35 -1.829 21.236 -1.962 1.00 0.00 C ATOM 500 C LYS A 35 -2.417 20.287 -0.915 1.00 0.00 C ATOM 501 O LYS A 35 -2.171 20.446 0.279 1.00 0.00 O ATOM 502 CB LYS A 35 -2.763 21.503 -3.144 1.00 0.00 C ATOM 503 CG LYS A 35 -2.967 23.005 -3.354 1.00 0.00 C ATOM 504 CD LYS A 35 -4.069 23.270 -4.382 1.00 0.00 C ATOM 505 CE LYS A 35 -3.473 23.672 -5.732 1.00 0.00 C ATOM 506 NZ LYS A 35 -3.836 25.068 -6.064 1.00 0.00 N ATOM 0 H LYS A 35 -0.331 19.776 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.687 22.200 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.347 21.059 -4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.725 21.023 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.228 23.476 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.035 23.459 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.682 22.377 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.726 24.061 -4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.388 23.569 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.835 23.001 -6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.423 25.325 -6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.871 25.155 -6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.469 25.706 -5.330 1.00 0.00 H new ATOM 520 N ARG A 36 -3.181 19.321 -1.402 1.00 0.00 N ATOM 521 CA ARG A 36 -3.806 18.346 -0.524 1.00 0.00 C ATOM 522 C ARG A 36 -3.644 16.936 -1.096 1.00 0.00 C ATOM 523 O ARG A 36 -3.157 16.767 -2.212 1.00 0.00 O ATOM 524 CB ARG A 36 -5.295 18.646 -0.339 1.00 0.00 C ATOM 525 CG ARG A 36 -5.502 19.832 0.606 1.00 0.00 C ATOM 526 CD ARG A 36 -6.299 20.945 -0.077 1.00 0.00 C ATOM 527 NE ARG A 36 -5.975 22.251 0.538 1.00 0.00 N ATOM 528 CZ ARG A 36 -6.699 23.365 0.362 1.00 0.00 C ATOM 529 NH1 ARG A 36 -7.792 23.338 -0.412 1.00 0.00 N ATOM 530 NH2 ARG A 36 -6.329 24.505 0.960 1.00 0.00 N ATOM 0 H ARG A 36 -3.382 19.192 -2.394 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.311 18.408 0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.749 18.863 -1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.800 17.766 0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.028 19.501 1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.535 20.218 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.068 20.968 -1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.367 20.746 0.013 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.149 22.307 1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.073 22.470 -0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.343 24.186 -0.546 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.497 24.525 1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.880 25.353 0.826 1.00 0.00 H new ATOM 544 N LEU A 37 -4.061 15.960 -0.303 1.00 0.00 N ATOM 545 CA LEU A 37 -3.969 14.570 -0.716 1.00 0.00 C ATOM 546 C LEU A 37 -5.289 14.145 -1.361 1.00 0.00 C ATOM 547 O LEU A 37 -6.328 14.125 -0.702 1.00 0.00 O ATOM 548 CB LEU A 37 -3.547 13.688 0.461 1.00 0.00 C ATOM 549 CG LEU A 37 -2.542 12.579 0.142 1.00 0.00 C ATOM 550 CD1 LEU A 37 -2.517 12.277 -1.358 1.00 0.00 C ATOM 551 CD2 LEU A 37 -1.153 12.927 0.680 1.00 0.00 C ATOM 0 H LEU A 37 -4.463 16.104 0.623 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.192 14.448 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.119 14.327 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.441 13.230 0.885 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.865 11.669 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.795 11.485 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.507 11.955 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.231 13.175 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.458 12.123 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.807 13.854 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.203 13.053 1.762 1.00 0.00 H new ATOM 563 N ASP A 38 -5.207 13.814 -2.641 1.00 0.00 N ATOM 564 CA ASP A 38 -6.383 13.390 -3.382 1.00 0.00 C ATOM 565 C ASP A 38 -6.671 11.919 -3.075 1.00 0.00 C ATOM 566 O ASP A 38 -7.829 11.507 -3.026 1.00 0.00 O ATOM 567 CB ASP A 38 -6.162 13.524 -4.890 1.00 0.00 C ATOM 568 CG ASP A 38 -6.599 14.861 -5.491 1.00 0.00 C ATOM 569 OD1 ASP A 38 -6.193 15.898 -4.924 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.330 14.816 -6.504 1.00 0.00 O ATOM 0 H ASP A 38 -4.344 13.831 -3.184 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.217 14.024 -3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.103 13.377 -5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.702 12.722 -5.394 1.00 0.00 H new ATOM 575 N GLY A 39 -5.598 11.168 -2.876 1.00 0.00 N ATOM 576 CA GLY A 39 -5.721 9.752 -2.575 1.00 0.00 C ATOM 577 C GLY A 39 -4.437 9.002 -2.934 1.00 0.00 C ATOM 578 O GLY A 39 -3.665 9.453 -3.778 1.00 0.00 O ATOM 0 H GLY A 39 -4.639 11.514 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.940 9.619 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.560 9.330 -3.129 1.00 0.00 H new ATOM 582 N TYR A 40 -4.247 7.868 -2.275 1.00 0.00 N ATOM 583 CA TYR A 40 -3.070 7.051 -2.513 1.00 0.00 C ATOM 584 C TYR A 40 -3.413 5.833 -3.374 1.00 0.00 C ATOM 585 O TYR A 40 -4.575 5.620 -3.719 1.00 0.00 O ATOM 586 CB TYR A 40 -2.602 6.573 -1.137 1.00 0.00 C ATOM 587 CG TYR A 40 -2.214 7.705 -0.184 1.00 0.00 C ATOM 588 CD1 TYR A 40 -3.192 8.394 0.503 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.886 8.037 -0.012 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.827 9.460 1.400 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.520 9.102 0.886 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.509 9.761 1.547 1.00 0.00 C ATOM 593 OH TYR A 40 -1.164 10.767 2.394 1.00 0.00 O ATOM 0 H TYR A 40 -4.890 7.496 -1.576 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.306 7.624 -3.038 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.396 5.983 -0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.746 5.911 -1.266 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.232 8.134 0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.121 7.498 -0.551 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.583 10.008 1.943 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.516 9.371 1.031 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.720 10.392 3.183 1.00 0.00 H new ATOM 603 N VAL A 41 -2.382 5.066 -3.695 1.00 0.00 N ATOM 604 CA VAL A 41 -2.560 3.875 -4.508 1.00 0.00 C ATOM 605 C VAL A 41 -1.792 2.712 -3.876 1.00 0.00 C ATOM 606 O VAL A 41 -0.568 2.646 -3.973 1.00 0.00 O ATOM 607 CB VAL A 41 -2.135 4.158 -5.951 1.00 0.00 C ATOM 608 CG1 VAL A 41 -2.099 2.869 -6.775 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.052 5.198 -6.598 1.00 0.00 C ATOM 0 H VAL A 41 -1.420 5.246 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.611 3.590 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.126 4.569 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.794 3.098 -7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.387 2.173 -6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.090 2.416 -6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.728 5.381 -7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.077 4.827 -6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.005 6.128 -6.031 1.00 0.00 H new ATOM 619 N LEU A 42 -2.544 1.823 -3.243 1.00 0.00 N ATOM 620 CA LEU A 42 -1.950 0.666 -2.595 1.00 0.00 C ATOM 621 C LEU A 42 -1.881 -0.491 -3.593 1.00 0.00 C ATOM 622 O LEU A 42 -2.911 -0.980 -4.056 1.00 0.00 O ATOM 623 CB LEU A 42 -2.705 0.326 -1.309 1.00 0.00 C ATOM 624 CG LEU A 42 -2.150 -0.845 -0.495 1.00 0.00 C ATOM 625 CD1 LEU A 42 -2.723 -2.175 -0.987 1.00 0.00 C ATOM 626 CD2 LEU A 42 -0.620 -0.841 -0.503 1.00 0.00 C ATOM 0 H LEU A 42 -3.559 1.881 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.927 0.884 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.717 1.211 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.741 0.105 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.467 -0.722 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.312 -2.991 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.808 -2.163 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.457 -2.321 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.251 -1.683 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.261 -0.927 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.256 0.090 -0.068 1.00 0.00 H new ATOM 638 N GLU A 43 -0.656 -0.898 -3.895 1.00 0.00 N ATOM 639 CA GLU A 43 -0.439 -1.989 -4.830 1.00 0.00 C ATOM 640 C GLU A 43 0.112 -3.213 -4.097 1.00 0.00 C ATOM 641 O GLU A 43 0.475 -3.128 -2.924 1.00 0.00 O ATOM 642 CB GLU A 43 0.495 -1.562 -5.964 1.00 0.00 C ATOM 643 CG GLU A 43 -0.299 -1.015 -7.152 1.00 0.00 C ATOM 644 CD GLU A 43 0.366 0.237 -7.727 1.00 0.00 C ATOM 645 OE1 GLU A 43 0.852 1.048 -6.909 1.00 0.00 O ATOM 646 OE2 GLU A 43 0.375 0.354 -8.971 1.00 0.00 O ATOM 0 H GLU A 43 0.196 -0.492 -3.509 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.397 -2.257 -5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.187 -0.801 -5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.096 -2.413 -6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.375 -1.779 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.315 -0.779 -6.837 1.00 0.00 H new ATOM 653 N GLY A 44 0.159 -4.324 -4.818 1.00 0.00 N ATOM 654 CA GLY A 44 0.660 -5.564 -4.250 1.00 0.00 C ATOM 655 C GLY A 44 0.897 -6.610 -5.342 1.00 0.00 C ATOM 656 O GLY A 44 0.603 -6.369 -6.512 1.00 0.00 O ATOM 0 H GLY A 44 -0.142 -4.391 -5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.591 -5.374 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.053 -5.949 -3.521 1.00 0.00 H new ATOM 660 N ARG A 45 1.425 -7.749 -4.920 1.00 0.00 N ATOM 661 CA ARG A 45 1.705 -8.833 -5.847 1.00 0.00 C ATOM 662 C ARG A 45 2.349 -10.009 -5.110 1.00 0.00 C ATOM 663 O ARG A 45 3.083 -9.813 -4.143 1.00 0.00 O ATOM 664 CB ARG A 45 2.637 -8.371 -6.969 1.00 0.00 C ATOM 665 CG ARG A 45 4.020 -8.014 -6.421 1.00 0.00 C ATOM 666 CD ARG A 45 5.089 -8.129 -7.510 1.00 0.00 C ATOM 667 NE ARG A 45 6.364 -8.594 -6.921 1.00 0.00 N ATOM 668 CZ ARG A 45 7.360 -9.148 -7.627 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.233 -9.308 -8.951 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.481 -9.541 -7.008 1.00 0.00 N ATOM 0 H ARG A 45 1.666 -7.945 -3.949 1.00 0.00 H new ATOM 0 HA ARG A 45 0.758 -9.149 -6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.730 -9.159 -7.717 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.206 -7.505 -7.471 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.007 -6.998 -6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.268 -8.676 -5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.760 -8.825 -8.282 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.233 -7.163 -7.993 1.00 0.00 H new ATOM 0 HE ARG A 45 6.493 -8.486 -5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.379 -9.008 -9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.990 -9.729 -9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.577 -9.419 -6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.239 -9.963 -7.545 1.00 0.00 H new ATOM 684 N GLN A 46 2.050 -11.205 -5.596 1.00 0.00 N ATOM 685 CA GLN A 46 2.590 -12.413 -4.995 1.00 0.00 C ATOM 686 C GLN A 46 3.504 -13.135 -5.986 1.00 0.00 C ATOM 687 O GLN A 46 3.121 -13.372 -7.131 1.00 0.00 O ATOM 688 CB GLN A 46 1.468 -13.334 -4.513 1.00 0.00 C ATOM 689 CG GLN A 46 0.907 -14.167 -5.667 1.00 0.00 C ATOM 690 CD GLN A 46 -0.429 -14.806 -5.284 1.00 0.00 C ATOM 691 OE1 GLN A 46 -0.551 -15.504 -4.291 1.00 0.00 O ATOM 692 NE2 GLN A 46 -1.422 -14.529 -6.125 1.00 0.00 N ATOM 0 H GLN A 46 1.441 -11.363 -6.399 1.00 0.00 H new ATOM 0 HA GLN A 46 3.182 -12.130 -4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.845 -13.995 -3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.670 -12.739 -4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.773 -13.535 -6.545 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.621 -14.944 -5.940 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.252 -13.937 -6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.354 -14.908 -5.957 1.00 0.00 H new ATOM 736 N GLY A 50 2.532 -9.704 -11.875 1.00 0.00 N ATOM 737 CA GLY A 50 2.409 -8.286 -12.169 1.00 0.00 C ATOM 738 C GLY A 50 1.779 -7.535 -10.994 1.00 0.00 C ATOM 739 O GLY A 50 0.908 -8.068 -10.307 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.393 -7.869 -12.386 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.800 -8.148 -13.062 1.00 0.00 H new ATOM 743 N TRP A 51 2.245 -6.311 -10.798 1.00 0.00 N ATOM 744 CA TRP A 51 1.739 -5.481 -9.718 1.00 0.00 C ATOM 745 C TRP A 51 0.240 -5.273 -9.944 1.00 0.00 C ATOM 746 O TRP A 51 -0.172 -4.804 -11.004 1.00 0.00 O ATOM 747 CB TRP A 51 2.517 -4.167 -9.624 1.00 0.00 C ATOM 748 CG TRP A 51 3.894 -4.305 -8.970 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.087 -4.401 -9.572 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.172 -4.359 -7.555 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.110 -4.512 -8.652 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.536 -4.486 -7.387 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.300 -4.303 -6.453 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.149 -4.567 -6.130 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.928 -4.385 -5.205 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.300 -4.513 -5.019 1.00 0.00 C ATOM 0 H TRP A 51 2.968 -5.873 -11.369 1.00 0.00 H new ATOM 0 HA TRP A 51 1.882 -5.972 -8.756 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.642 -3.758 -10.627 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.927 -3.447 -9.057 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.230 -4.393 -10.642 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.104 -4.597 -8.862 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.230 -4.204 -6.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.219 -4.666 -6.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.303 -4.346 -4.325 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.709 -4.571 -4.021 1.00 0.00 H new ATOM 767 N GLU A 52 -0.535 -5.631 -8.931 1.00 0.00 N ATOM 768 CA GLU A 52 -1.979 -5.489 -9.006 1.00 0.00 C ATOM 769 C GLU A 52 -2.452 -4.371 -8.074 1.00 0.00 C ATOM 770 O GLU A 52 -2.125 -4.367 -6.888 1.00 0.00 O ATOM 771 CB GLU A 52 -2.677 -6.809 -8.677 1.00 0.00 C ATOM 772 CG GLU A 52 -2.807 -6.999 -7.164 1.00 0.00 C ATOM 773 CD GLU A 52 -3.054 -8.468 -6.815 1.00 0.00 C ATOM 774 OE1 GLU A 52 -2.703 -9.319 -7.661 1.00 0.00 O ATOM 775 OE2 GLU A 52 -3.587 -8.707 -5.710 1.00 0.00 O ATOM 0 H GLU A 52 -0.190 -6.019 -8.053 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.245 -5.220 -10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.666 -6.826 -9.135 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.114 -7.639 -9.104 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.899 -6.652 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.628 -6.389 -6.786 1.00 0.00 H new ATOM 782 N VAL A 53 -3.214 -3.450 -8.646 1.00 0.00 N ATOM 783 CA VAL A 53 -3.735 -2.330 -7.881 1.00 0.00 C ATOM 784 C VAL A 53 -4.766 -2.842 -6.874 1.00 0.00 C ATOM 785 O VAL A 53 -5.903 -3.137 -7.240 1.00 0.00 O ATOM 786 CB VAL A 53 -4.299 -1.268 -8.827 1.00 0.00 C ATOM 787 CG1 VAL A 53 -5.089 -0.210 -8.055 1.00 0.00 C ATOM 788 CG2 VAL A 53 -3.185 -0.625 -9.656 1.00 0.00 C ATOM 0 H VAL A 53 -3.483 -3.457 -9.630 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.937 -1.850 -7.314 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.985 -1.762 -9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.479 0.533 -8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.918 -0.686 -7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.434 0.278 -7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.613 0.126 -10.320 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.463 -0.152 -8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.685 -1.391 -10.249 1.00 0.00 H new ATOM 798 N LEU A 54 -4.333 -2.931 -5.625 1.00 0.00 N ATOM 799 CA LEU A 54 -5.205 -3.401 -4.562 1.00 0.00 C ATOM 800 C LEU A 54 -6.258 -2.333 -4.261 1.00 0.00 C ATOM 801 O LEU A 54 -7.447 -2.634 -4.179 1.00 0.00 O ATOM 802 CB LEU A 54 -4.384 -3.817 -3.340 1.00 0.00 C ATOM 803 CG LEU A 54 -3.196 -4.742 -3.613 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.360 -4.949 -2.349 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.661 -6.069 -4.216 1.00 0.00 C ATOM 0 H LEU A 54 -3.389 -2.686 -5.325 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.741 -4.296 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.013 -2.916 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.049 -4.311 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.552 -4.262 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.522 -5.610 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.981 -3.988 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.980 -5.397 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.797 -6.708 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.338 -6.566 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.179 -5.880 -5.156 1.00 0.00 H new ATOM 817 N ASP A 55 -5.781 -1.106 -4.104 1.00 0.00 N ATOM 818 CA ASP A 55 -6.667 0.009 -3.813 1.00 0.00 C ATOM 819 C ASP A 55 -6.125 1.273 -4.484 1.00 0.00 C ATOM 820 O ASP A 55 -5.172 1.878 -3.997 1.00 0.00 O ATOM 821 CB ASP A 55 -6.748 0.270 -2.308 1.00 0.00 C ATOM 822 CG ASP A 55 -8.159 0.515 -1.769 1.00 0.00 C ATOM 823 OD1 ASP A 55 -8.859 1.357 -2.373 1.00 0.00 O ATOM 824 OD2 ASP A 55 -8.506 -0.146 -0.767 1.00 0.00 O ATOM 0 H ASP A 55 -4.794 -0.860 -4.173 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.659 -0.241 -4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.318 -0.583 -1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.129 1.136 -2.071 1.00 0.00 H new ATOM 829 N PRO A 56 -6.773 1.643 -5.621 1.00 0.00 N ATOM 830 CA PRO A 56 -6.367 2.824 -6.363 1.00 0.00 C ATOM 831 C PRO A 56 -6.815 4.101 -5.650 1.00 0.00 C ATOM 832 O PRO A 56 -6.042 5.051 -5.526 1.00 0.00 O ATOM 833 CB PRO A 56 -6.994 2.660 -7.738 1.00 0.00 C ATOM 834 CG PRO A 56 -8.103 1.634 -7.570 1.00 0.00 C ATOM 835 CD PRO A 56 -7.906 0.950 -6.227 1.00 0.00 C ATOM 0 HA PRO A 56 -5.284 2.919 -6.443 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.391 3.608 -8.102 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.256 2.322 -8.466 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.079 2.117 -7.613 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.073 0.904 -8.378 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.798 1.032 -5.606 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.700 -0.113 -6.350 1.00 0.00 H new ATOM 843 N ALA A 57 -8.061 4.084 -5.201 1.00 0.00 N ATOM 844 CA ALA A 57 -8.621 5.229 -4.504 1.00 0.00 C ATOM 845 C ALA A 57 -8.555 4.984 -2.995 1.00 0.00 C ATOM 846 O ALA A 57 -9.312 4.175 -2.460 1.00 0.00 O ATOM 847 CB ALA A 57 -10.050 5.476 -4.993 1.00 0.00 C ATOM 0 H ALA A 57 -8.699 3.295 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.044 6.128 -4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.470 6.335 -4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.039 5.674 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.660 4.595 -4.793 1.00 0.00 H new ATOM 853 N VAL A 58 -7.643 5.698 -2.351 1.00 0.00 N ATOM 854 CA VAL A 58 -7.468 5.568 -0.915 1.00 0.00 C ATOM 855 C VAL A 58 -7.542 6.953 -0.269 1.00 0.00 C ATOM 856 O VAL A 58 -6.773 7.847 -0.620 1.00 0.00 O ATOM 857 CB VAL A 58 -6.160 4.836 -0.611 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.769 5.000 0.859 1.00 0.00 C ATOM 859 CG2 VAL A 58 -6.259 3.357 -0.990 1.00 0.00 C ATOM 0 H VAL A 58 -7.018 6.368 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.269 4.966 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.375 5.286 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.836 4.470 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.638 6.058 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.555 4.589 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.316 2.860 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.062 2.889 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.470 3.268 -2.056 1.00 0.00 H new ATOM 869 N ALA A 59 -8.474 7.088 0.663 1.00 0.00 N ATOM 870 CA ALA A 59 -8.658 8.349 1.360 1.00 0.00 C ATOM 871 C ALA A 59 -7.304 9.044 1.514 1.00 0.00 C ATOM 872 O ALA A 59 -6.300 8.397 1.807 1.00 0.00 O ATOM 873 CB ALA A 59 -9.339 8.094 2.706 1.00 0.00 C ATOM 0 H ALA A 59 -9.110 6.344 0.952 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.306 9.013 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.477 9.040 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.309 7.626 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.716 7.433 3.309 1.00 0.00 H new ATOM 879 N GLY A 60 -7.320 10.354 1.310 1.00 0.00 N ATOM 880 CA GLY A 60 -6.106 11.143 1.423 1.00 0.00 C ATOM 881 C GLY A 60 -5.857 11.564 2.873 1.00 0.00 C ATOM 882 O GLY A 60 -5.080 12.481 3.133 1.00 0.00 O ATOM 0 H GLY A 60 -8.155 10.888 1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.257 10.565 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.184 12.028 0.792 1.00 0.00 H new ATOM 886 N THR A 61 -6.533 10.873 3.780 1.00 0.00 N ATOM 887 CA THR A 61 -6.396 11.164 5.197 1.00 0.00 C ATOM 888 C THR A 61 -6.103 9.881 5.978 1.00 0.00 C ATOM 889 O THR A 61 -6.018 9.903 7.205 1.00 0.00 O ATOM 890 CB THR A 61 -7.667 11.879 5.658 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.722 11.025 5.227 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.911 13.185 4.900 1.00 0.00 C ATOM 0 H THR A 61 -7.177 10.113 3.561 1.00 0.00 H new ATOM 0 HA THR A 61 -5.549 11.823 5.386 1.00 0.00 H new ATOM 0 HB THR A 61 -7.600 12.086 6.726 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.584 11.413 5.487 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.825 13.652 5.266 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.070 13.860 5.058 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.012 12.974 3.835 1.00 0.00 H new ATOM 900 N GLU A 62 -5.957 8.794 5.235 1.00 0.00 N ATOM 901 CA GLU A 62 -5.676 7.504 5.842 1.00 0.00 C ATOM 902 C GLU A 62 -4.166 7.309 5.998 1.00 0.00 C ATOM 903 O GLU A 62 -3.377 8.010 5.366 1.00 0.00 O ATOM 904 CB GLU A 62 -6.294 6.367 5.027 1.00 0.00 C ATOM 905 CG GLU A 62 -7.819 6.488 4.986 1.00 0.00 C ATOM 906 CD GLU A 62 -8.427 6.214 6.363 1.00 0.00 C ATOM 907 OE1 GLU A 62 -8.391 7.145 7.196 1.00 0.00 O ATOM 908 OE2 GLU A 62 -8.916 5.078 6.552 1.00 0.00 O ATOM 0 H GLU A 62 -6.028 8.780 4.218 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.130 7.484 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.897 6.385 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.013 5.408 5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.099 7.487 4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.224 5.784 4.259 1.00 0.00 H new ATOM 915 N THR A 63 -3.809 6.352 6.842 1.00 0.00 N ATOM 916 CA THR A 63 -2.408 6.056 7.089 1.00 0.00 C ATOM 917 C THR A 63 -2.159 4.549 7.006 1.00 0.00 C ATOM 918 O THR A 63 -1.048 4.084 7.257 1.00 0.00 O ATOM 919 CB THR A 63 -2.028 6.661 8.442 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.114 6.312 9.296 1.00 0.00 O ATOM 921 CG2 THR A 63 -2.044 8.190 8.425 1.00 0.00 C ATOM 0 H THR A 63 -4.466 5.771 7.363 1.00 0.00 H new ATOM 0 HA THR A 63 -1.769 6.502 6.327 1.00 0.00 H new ATOM 0 HB THR A 63 -1.036 6.312 8.730 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.839 5.586 9.894 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.767 8.568 9.409 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.332 8.553 7.684 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.044 8.541 8.170 1.00 0.00 H new ATOM 929 N GLU A 64 -3.212 3.826 6.652 1.00 0.00 N ATOM 930 CA GLU A 64 -3.122 2.381 6.532 1.00 0.00 C ATOM 931 C GLU A 64 -4.240 1.852 5.631 1.00 0.00 C ATOM 932 O GLU A 64 -5.205 2.561 5.352 1.00 0.00 O ATOM 933 CB GLU A 64 -3.164 1.713 7.908 1.00 0.00 C ATOM 934 CG GLU A 64 -4.058 2.497 8.871 1.00 0.00 C ATOM 935 CD GLU A 64 -3.229 3.156 9.975 1.00 0.00 C ATOM 936 OE1 GLU A 64 -2.183 2.570 10.326 1.00 0.00 O ATOM 937 OE2 GLU A 64 -3.661 4.232 10.443 1.00 0.00 O ATOM 0 H GLU A 64 -4.132 4.215 6.444 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.165 2.133 6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.536 0.693 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.155 1.647 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.610 3.260 8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.795 1.828 9.315 1.00 0.00 H new ATOM 944 N LEU A 65 -4.072 0.610 5.201 1.00 0.00 N ATOM 945 CA LEU A 65 -5.055 -0.022 4.337 1.00 0.00 C ATOM 946 C LEU A 65 -5.029 -1.535 4.565 1.00 0.00 C ATOM 947 O LEU A 65 -3.959 -2.129 4.694 1.00 0.00 O ATOM 948 CB LEU A 65 -4.828 0.385 2.880 1.00 0.00 C ATOM 949 CG LEU A 65 -6.082 0.491 2.010 1.00 0.00 C ATOM 950 CD1 LEU A 65 -6.169 -0.679 1.028 1.00 0.00 C ATOM 951 CD2 LEU A 65 -7.340 0.608 2.874 1.00 0.00 C ATOM 0 H LEU A 65 -3.270 0.024 5.435 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.059 0.321 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.319 1.349 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.153 -0.338 2.423 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.011 1.404 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.069 -0.579 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.293 -0.676 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.207 -1.617 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.217 0.682 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.429 -0.274 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.271 1.499 3.498 1.00 0.00 H new ATOM 963 N LEU A 66 -6.219 -2.115 4.606 1.00 0.00 N ATOM 964 CA LEU A 66 -6.346 -3.548 4.815 1.00 0.00 C ATOM 965 C LEU A 66 -6.407 -4.253 3.459 1.00 0.00 C ATOM 966 O LEU A 66 -7.196 -3.877 2.594 1.00 0.00 O ATOM 967 CB LEU A 66 -7.541 -3.853 5.721 1.00 0.00 C ATOM 968 CG LEU A 66 -7.634 -5.286 6.248 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.999 -5.403 7.635 1.00 0.00 C ATOM 970 CD2 LEU A 66 -9.082 -5.781 6.236 1.00 0.00 C ATOM 0 H LEU A 66 -7.104 -1.619 4.498 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.472 -3.936 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.508 -3.175 6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.455 -3.629 5.171 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.067 -5.934 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.079 -6.432 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.948 -5.119 7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.517 -4.741 8.329 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.121 -6.802 6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.692 -5.136 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.466 -5.758 5.216 1.00 0.00 H new ATOM 982 N VAL A 67 -5.563 -5.265 3.316 1.00 0.00 N ATOM 983 CA VAL A 67 -5.511 -6.026 2.079 1.00 0.00 C ATOM 984 C VAL A 67 -5.555 -7.521 2.404 1.00 0.00 C ATOM 985 O VAL A 67 -4.516 -8.176 2.471 1.00 0.00 O ATOM 986 CB VAL A 67 -4.276 -5.626 1.270 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.096 -6.540 0.056 1.00 0.00 C ATOM 988 CG2 VAL A 67 -4.350 -4.159 0.845 1.00 0.00 C ATOM 0 H VAL A 67 -4.910 -5.575 4.036 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.377 -5.803 1.456 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.403 -5.745 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.211 -6.234 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.976 -7.570 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.973 -6.468 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.460 -3.901 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.236 -4.003 0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.407 -3.526 1.731 1.00 0.00 H new ATOM 998 N PRO A 68 -6.800 -8.030 2.602 1.00 0.00 N ATOM 999 CA PRO A 68 -6.994 -9.435 2.918 1.00 0.00 C ATOM 1000 C PRO A 68 -6.797 -10.308 1.677 1.00 0.00 C ATOM 1001 O PRO A 68 -6.718 -11.531 1.781 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.400 -9.520 3.488 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.108 -8.251 3.041 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.053 -7.283 2.531 1.00 0.00 C ATOM 0 HA PRO A 68 -6.265 -9.809 3.637 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.918 -10.406 3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.377 -9.592 4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.832 -8.474 2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.661 -7.810 3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.267 -6.965 1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.013 -6.382 3.144 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.723 -9.645 0.532 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.537 -10.345 -0.727 1.00 0.00 C ATOM 1014 C GLY A 69 -5.110 -10.883 -0.850 1.00 0.00 C ATOM 1015 O GLY A 69 -4.420 -10.605 -1.829 1.00 0.00 O ATOM 0 H GLY A 69 -6.789 -8.630 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.247 -11.169 -0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.748 -9.670 -1.557 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.710 -11.644 0.159 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.377 -12.223 0.177 1.00 0.00 C ATOM 1021 C LEU A 70 -3.487 -13.747 0.093 1.00 0.00 C ATOM 1022 O LEU A 70 -4.533 -14.315 0.404 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.594 -11.729 1.394 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.226 -10.244 1.397 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.872 -10.015 2.071 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.266 -9.666 -0.019 1.00 0.00 C ATOM 0 H LEU A 70 -5.285 -11.873 0.969 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.808 -11.895 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.180 -11.939 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.675 -12.311 1.471 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.972 -9.709 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.635 -8.951 2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.915 -10.366 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.100 -10.565 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.000 -8.609 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.556 -10.200 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.270 -9.776 -0.429 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.393 -14.365 -0.327 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.354 -15.812 -0.455 1.00 0.00 C ATOM 1040 C ILE A 71 -1.362 -16.383 0.561 1.00 0.00 C ATOM 1041 O ILE A 71 -0.518 -15.657 1.085 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.054 -16.215 -1.900 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.100 -15.640 -2.857 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -1.929 -17.734 -2.032 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -3.994 -16.747 -3.421 1.00 0.00 C ATOM 0 H ILE A 71 -1.527 -13.890 -0.583 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.329 -16.241 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.091 -15.788 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.712 -14.905 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.602 -15.118 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.716 -17.993 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.119 -18.089 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.864 -18.204 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.729 -16.312 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.382 -17.468 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.509 -17.251 -2.603 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.496 -17.677 0.809 1.00 0.00 N ATOM 1058 CA LYS A 72 -0.622 -18.353 1.752 1.00 0.00 C ATOM 1059 C LYS A 72 0.490 -19.072 0.986 1.00 0.00 C ATOM 1060 O LYS A 72 0.346 -19.357 -0.202 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.432 -19.273 2.668 1.00 0.00 C ATOM 1062 CG LYS A 72 -2.084 -20.405 1.871 1.00 0.00 C ATOM 1063 CD LYS A 72 -3.599 -20.212 1.782 1.00 0.00 C ATOM 1064 CE LYS A 72 -4.062 -20.177 0.324 1.00 0.00 C ATOM 1065 NZ LYS A 72 -5.495 -20.533 0.228 1.00 0.00 N ATOM 0 H LYS A 72 -2.197 -18.276 0.373 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.140 -17.630 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.782 -19.692 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.201 -18.696 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.659 -20.440 0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.863 -21.362 2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.104 -21.022 2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.881 -19.284 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.899 -19.183 -0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.468 -20.872 -0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.794 -20.505 -0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.641 -21.491 0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.059 -19.854 0.778 1.00 0.00 H new ATOM 1079 N ASP A 73 1.574 -19.346 1.697 1.00 0.00 N ATOM 1080 CA ASP A 73 2.710 -20.026 1.098 1.00 0.00 C ATOM 1081 C ASP A 73 3.356 -19.111 0.057 1.00 0.00 C ATOM 1082 O ASP A 73 4.224 -19.542 -0.701 1.00 0.00 O ATOM 1083 CB ASP A 73 2.273 -21.311 0.392 1.00 0.00 C ATOM 1084 CG ASP A 73 3.179 -22.520 0.631 1.00 0.00 C ATOM 1085 OD1 ASP A 73 4.412 -22.317 0.619 1.00 0.00 O ATOM 1086 OD2 ASP A 73 2.618 -23.621 0.822 1.00 0.00 O ATOM 0 H ASP A 73 1.690 -19.109 2.682 1.00 0.00 H new ATOM 0 HA ASP A 73 3.413 -20.273 1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.264 -21.562 0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.223 -21.120 -0.680 1.00 0.00 H new ATOM 1091 N VAL A 74 2.908 -17.864 0.052 1.00 0.00 N ATOM 1092 CA VAL A 74 3.432 -16.884 -0.884 1.00 0.00 C ATOM 1093 C VAL A 74 3.887 -15.642 -0.115 1.00 0.00 C ATOM 1094 O VAL A 74 3.679 -15.545 1.094 1.00 0.00 O ATOM 1095 CB VAL A 74 2.386 -16.572 -1.956 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.911 -17.852 -2.647 1.00 0.00 C ATOM 1097 CG2 VAL A 74 1.206 -15.800 -1.362 1.00 0.00 C ATOM 0 H VAL A 74 2.188 -17.510 0.681 1.00 0.00 H new ATOM 0 HA VAL A 74 4.303 -17.282 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 74 2.856 -15.939 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.168 -17.602 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.759 -18.346 -3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.467 -18.520 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.477 -15.591 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.737 -16.397 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.562 -14.861 -0.938 1.00 0.00 H new ATOM 1107 N LEU A 75 4.501 -14.724 -0.846 1.00 0.00 N ATOM 1108 CA LEU A 75 4.988 -13.492 -0.248 1.00 0.00 C ATOM 1109 C LEU A 75 4.424 -12.298 -1.020 1.00 0.00 C ATOM 1110 O LEU A 75 4.996 -11.878 -2.025 1.00 0.00 O ATOM 1111 CB LEU A 75 6.515 -13.505 -0.164 1.00 0.00 C ATOM 1112 CG LEU A 75 7.127 -12.773 1.033 1.00 0.00 C ATOM 1113 CD1 LEU A 75 6.386 -11.464 1.312 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.173 -13.679 2.265 1.00 0.00 C ATOM 0 H LEU A 75 4.673 -14.808 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 75 4.636 -13.402 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.849 -14.542 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.913 -13.063 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 75 8.156 -12.514 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.841 -10.964 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.449 -10.817 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.340 -11.678 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.612 -13.134 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.161 -13.990 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.778 -14.559 2.047 1.00 0.00 H new ATOM 1126 N TYR A 76 3.309 -11.784 -0.521 1.00 0.00 N ATOM 1127 CA TYR A 76 2.662 -10.646 -1.152 1.00 0.00 C ATOM 1128 C TYR A 76 3.327 -9.334 -0.730 1.00 0.00 C ATOM 1129 O TYR A 76 3.459 -9.055 0.461 1.00 0.00 O ATOM 1130 CB TYR A 76 1.216 -10.654 -0.653 1.00 0.00 C ATOM 1131 CG TYR A 76 0.201 -11.131 -1.693 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.316 -10.240 -2.612 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.197 -12.452 -1.714 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -1.271 -10.689 -3.592 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.153 -12.901 -2.694 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.642 -11.997 -3.584 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.545 -12.421 -4.509 1.00 0.00 O ATOM 0 H TYR A 76 2.837 -12.135 0.313 1.00 0.00 H new ATOM 0 HA TYR A 76 2.731 -10.718 -2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.149 -11.296 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.947 -9.647 -0.333 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.004 -9.206 -2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.208 -13.149 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.683 -10.002 -4.317 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.474 -13.932 -2.721 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.458 -11.881 -5.322 1.00 0.00 H new ATOM 1147 N GLU A 77 3.729 -8.564 -1.730 1.00 0.00 N ATOM 1148 CA GLU A 77 4.377 -7.288 -1.479 1.00 0.00 C ATOM 1149 C GLU A 77 3.340 -6.164 -1.437 1.00 0.00 C ATOM 1150 O GLU A 77 2.144 -6.413 -1.586 1.00 0.00 O ATOM 1151 CB GLU A 77 5.453 -7.003 -2.529 1.00 0.00 C ATOM 1152 CG GLU A 77 6.743 -7.761 -2.212 1.00 0.00 C ATOM 1153 CD GLU A 77 7.533 -8.057 -3.488 1.00 0.00 C ATOM 1154 OE1 GLU A 77 8.273 -7.147 -3.921 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.379 -9.185 -4.003 1.00 0.00 O ATOM 0 H GLU A 77 3.618 -8.799 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 77 4.869 -7.338 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.090 -7.293 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.656 -5.933 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.356 -7.173 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.504 -8.695 -1.703 1.00 0.00 H new ATOM 1162 N PHE A 78 3.835 -4.952 -1.234 1.00 0.00 N ATOM 1163 CA PHE A 78 2.966 -3.790 -1.172 1.00 0.00 C ATOM 1164 C PHE A 78 3.742 -2.507 -1.477 1.00 0.00 C ATOM 1165 O PHE A 78 4.962 -2.464 -1.321 1.00 0.00 O ATOM 1166 CB PHE A 78 2.422 -3.714 0.256 1.00 0.00 C ATOM 1167 CG PHE A 78 1.405 -4.807 0.593 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.212 -4.850 -0.057 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.695 -5.736 1.544 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.732 -5.864 0.255 1.00 0.00 C ATOM 1171 CE2 PHE A 78 0.751 -6.750 1.857 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.442 -6.792 1.206 1.00 0.00 C ATOM 0 H PHE A 78 4.827 -4.750 -1.110 1.00 0.00 H new ATOM 0 HA PHE A 78 2.168 -3.884 -1.908 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.255 -3.779 0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.956 -2.740 0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.018 -4.112 -0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.643 -5.702 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.679 -5.898 -0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.981 -7.487 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.160 -7.563 1.444 1.00 0.00 H new ATOM 1182 N ARG A 79 3.004 -1.494 -1.907 1.00 0.00 N ATOM 1183 CA ARG A 79 3.608 -0.214 -2.235 1.00 0.00 C ATOM 1184 C ARG A 79 2.527 0.855 -2.403 1.00 0.00 C ATOM 1185 O ARG A 79 1.577 0.669 -3.162 1.00 0.00 O ATOM 1186 CB ARG A 79 4.428 -0.307 -3.524 1.00 0.00 C ATOM 1187 CG ARG A 79 3.517 -0.438 -4.746 1.00 0.00 C ATOM 1188 CD ARG A 79 4.336 -0.670 -6.017 1.00 0.00 C ATOM 1189 NE ARG A 79 3.686 -0.002 -7.167 1.00 0.00 N ATOM 1190 CZ ARG A 79 4.037 -0.195 -8.445 1.00 0.00 C ATOM 1191 NH1 ARG A 79 5.034 -1.038 -8.746 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.392 0.455 -9.423 1.00 0.00 N ATOM 0 H ARG A 79 1.993 -1.534 -2.036 1.00 0.00 H new ATOM 0 HA ARG A 79 4.271 0.060 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.054 0.580 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.098 -1.165 -3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.823 -1.266 -4.600 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.917 0.465 -4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.346 -0.283 -5.884 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.427 -1.739 -6.211 1.00 0.00 H new ATOM 0 HE ARG A 79 2.923 0.646 -6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.526 -1.533 -8.002 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.301 -1.185 -9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.633 1.097 -9.194 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.660 0.308 -10.396 1.00 0.00 H new ATOM 1206 N LEU A 80 2.708 1.952 -1.683 1.00 0.00 N ATOM 1207 CA LEU A 80 1.760 3.052 -1.742 1.00 0.00 C ATOM 1208 C LEU A 80 2.315 4.149 -2.654 1.00 0.00 C ATOM 1209 O LEU A 80 3.529 4.317 -2.761 1.00 0.00 O ATOM 1210 CB LEU A 80 1.416 3.539 -0.334 1.00 0.00 C ATOM 1211 CG LEU A 80 -0.038 3.960 -0.107 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -1.003 2.852 -0.533 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.264 4.390 1.344 1.00 0.00 C ATOM 0 H LEU A 80 3.498 2.103 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 80 0.818 2.720 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.658 2.746 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.060 4.386 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.245 4.826 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.029 3.177 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.864 2.635 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.805 1.953 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.305 4.684 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.033 3.559 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.385 5.234 1.579 1.00 0.00 H new ATOM 1225 N VAL A 81 1.399 4.866 -3.288 1.00 0.00 N ATOM 1226 CA VAL A 81 1.781 5.942 -4.186 1.00 0.00 C ATOM 1227 C VAL A 81 0.821 7.120 -4.002 1.00 0.00 C ATOM 1228 O VAL A 81 -0.317 7.075 -4.466 1.00 0.00 O ATOM 1229 CB VAL A 81 1.828 5.429 -5.627 1.00 0.00 C ATOM 1230 CG1 VAL A 81 1.883 6.590 -6.621 1.00 0.00 C ATOM 1231 CG2 VAL A 81 3.007 4.476 -5.831 1.00 0.00 C ATOM 0 H VAL A 81 0.393 4.723 -3.197 1.00 0.00 H new ATOM 0 HA VAL A 81 2.783 6.299 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 81 0.910 4.872 -5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.916 6.198 -7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.997 7.214 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.775 7.187 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.017 4.126 -6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.939 4.999 -5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.906 3.623 -5.160 1.00 0.00 H new ATOM 1241 N ALA A 82 1.316 8.145 -3.325 1.00 0.00 N ATOM 1242 CA ALA A 82 0.517 9.332 -3.074 1.00 0.00 C ATOM 1243 C ALA A 82 0.426 10.161 -4.356 1.00 0.00 C ATOM 1244 O ALA A 82 1.423 10.343 -5.054 1.00 0.00 O ATOM 1245 CB ALA A 82 1.125 10.120 -1.912 1.00 0.00 C ATOM 0 H ALA A 82 2.261 8.178 -2.942 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.498 9.058 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.526 11.011 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.140 9.497 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.143 10.415 -2.166 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.778 10.641 -4.629 1.00 0.00 N ATOM 1252 CA PHE A 83 -1.012 11.446 -5.815 1.00 0.00 C ATOM 1253 C PHE A 83 -2.036 12.549 -5.537 1.00 0.00 C ATOM 1254 O PHE A 83 -3.073 12.297 -4.925 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.568 10.509 -6.889 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.972 9.981 -6.588 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -4.051 10.796 -6.728 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -3.140 8.694 -6.179 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.353 10.305 -6.448 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.443 8.203 -5.899 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.522 9.019 -6.040 1.00 0.00 C ATOM 0 H PHE A 83 -1.603 10.488 -4.048 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.083 11.921 -6.131 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.586 11.036 -7.843 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.890 9.663 -7.005 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.917 11.817 -7.052 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.283 8.046 -6.067 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.210 10.953 -6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.577 7.182 -5.574 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.513 8.646 -5.828 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.709 13.746 -6.000 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.588 14.888 -5.808 1.00 0.00 C ATOM 1273 C ALA A 84 -2.951 15.480 -7.171 1.00 0.00 C ATOM 1274 O ALA A 84 -2.120 16.116 -7.817 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.908 15.907 -4.892 1.00 0.00 C ATOM 0 H ALA A 84 -0.848 13.951 -6.507 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.515 14.582 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.567 16.763 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.697 15.445 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.975 16.240 -5.347 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.194 15.251 -7.568 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.678 15.755 -8.842 1.00 0.00 C ATOM 1283 C GLY A 85 -3.910 15.127 -10.007 1.00 0.00 C ATOM 1284 O GLY A 85 -3.971 13.916 -10.215 1.00 0.00 O ATOM 0 H GLY A 85 -4.881 14.723 -7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.741 15.537 -8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.570 16.839 -8.873 1.00 0.00 H new ATOM 1288 N SER A 86 -3.203 15.979 -10.736 1.00 0.00 N ATOM 1289 CA SER A 86 -2.424 15.523 -11.874 1.00 0.00 C ATOM 1290 C SER A 86 -0.991 15.213 -11.436 1.00 0.00 C ATOM 1291 O SER A 86 -0.091 15.116 -12.270 1.00 0.00 O ATOM 1292 CB SER A 86 -2.424 16.565 -12.994 1.00 0.00 C ATOM 1293 OG SER A 86 -3.189 16.140 -14.119 1.00 0.00 O ATOM 0 H SER A 86 -3.154 16.983 -10.560 1.00 0.00 H new ATOM 0 HA SER A 86 -2.883 14.614 -12.261 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.827 17.504 -12.615 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.398 16.761 -13.306 1.00 0.00 H new ATOM 0 HG SER A 86 -3.166 16.833 -14.811 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.823 15.067 -10.130 1.00 0.00 N ATOM 1300 CA PHE A 87 0.485 14.770 -9.572 1.00 0.00 C ATOM 1301 C PHE A 87 0.520 13.362 -8.974 1.00 0.00 C ATOM 1302 O PHE A 87 -0.360 12.992 -8.199 1.00 0.00 O ATOM 1303 CB PHE A 87 0.739 15.790 -8.461 1.00 0.00 C ATOM 1304 CG PHE A 87 0.735 17.244 -8.938 1.00 0.00 C ATOM 1305 CD1 PHE A 87 -0.404 17.791 -9.441 1.00 0.00 C ATOM 1306 CD2 PHE A 87 1.870 17.989 -8.858 1.00 0.00 C ATOM 1307 CE1 PHE A 87 -0.408 19.141 -9.884 1.00 0.00 C ATOM 1308 CE2 PHE A 87 1.866 19.339 -9.300 1.00 0.00 C ATOM 1309 CZ PHE A 87 0.727 19.886 -9.804 1.00 0.00 C ATOM 0 H PHE A 87 -1.571 15.149 -9.442 1.00 0.00 H new ATOM 0 HA PHE A 87 1.243 14.822 -10.353 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.022 15.669 -7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.701 15.574 -7.996 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.305 17.199 -9.504 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.774 17.554 -8.458 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.312 19.575 -10.284 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.767 19.931 -9.236 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.724 20.912 -10.141 1.00 0.00 H new ATOM 1319 N VAL A 88 1.546 12.617 -9.357 1.00 0.00 N ATOM 1320 CA VAL A 88 1.707 11.258 -8.868 1.00 0.00 C ATOM 1321 C VAL A 88 3.062 11.129 -8.168 1.00 0.00 C ATOM 1322 O VAL A 88 4.098 11.442 -8.752 1.00 0.00 O ATOM 1323 CB VAL A 88 1.531 10.264 -10.017 1.00 0.00 C ATOM 1324 CG1 VAL A 88 2.247 8.945 -9.716 1.00 0.00 C ATOM 1325 CG2 VAL A 88 0.049 10.028 -10.316 1.00 0.00 C ATOM 0 H VAL A 88 2.274 12.928 -10.000 1.00 0.00 H new ATOM 0 HA VAL A 88 0.938 11.024 -8.132 1.00 0.00 H new ATOM 0 HB VAL A 88 1.987 10.697 -10.907 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.106 8.256 -10.549 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.312 9.133 -9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.834 8.506 -8.808 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.048 9.317 -11.137 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.442 9.627 -9.429 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.421 10.971 -10.595 1.00 0.00 H new ATOM 1335 N SER A 89 3.010 10.668 -6.927 1.00 0.00 N ATOM 1336 CA SER A 89 4.220 10.495 -6.142 1.00 0.00 C ATOM 1337 C SER A 89 4.804 9.101 -6.383 1.00 0.00 C ATOM 1338 O SER A 89 4.106 8.204 -6.853 1.00 0.00 O ATOM 1339 CB SER A 89 3.944 10.704 -4.651 1.00 0.00 C ATOM 1340 OG SER A 89 3.446 9.522 -4.029 1.00 0.00 O ATOM 0 H SER A 89 2.149 10.409 -6.446 1.00 0.00 H new ATOM 0 HA SER A 89 4.944 11.246 -6.459 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.862 11.017 -4.153 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.222 11.511 -4.526 1.00 0.00 H new ATOM 0 HG SER A 89 2.738 9.133 -4.584 1.00 0.00 H new ATOM 1346 N ASP A 90 6.079 8.964 -6.049 1.00 0.00 N ATOM 1347 CA ASP A 90 6.766 7.695 -6.224 1.00 0.00 C ATOM 1348 C ASP A 90 6.197 6.673 -5.238 1.00 0.00 C ATOM 1349 O ASP A 90 5.655 7.043 -4.198 1.00 0.00 O ATOM 1350 CB ASP A 90 8.264 7.837 -5.946 1.00 0.00 C ATOM 1351 CG ASP A 90 9.094 8.347 -7.126 1.00 0.00 C ATOM 1352 OD1 ASP A 90 9.412 7.512 -8.000 1.00 0.00 O ATOM 1353 OD2 ASP A 90 9.392 9.561 -7.126 1.00 0.00 O ATOM 0 H ASP A 90 6.654 9.710 -5.658 1.00 0.00 H new ATOM 0 HA ASP A 90 6.620 7.371 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.400 8.517 -5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.655 6.867 -5.638 1.00 0.00 H new ATOM 1358 N PRO A 91 6.343 5.373 -5.609 1.00 0.00 N ATOM 1359 CA PRO A 91 5.851 4.294 -4.769 1.00 0.00 C ATOM 1360 C PRO A 91 6.759 4.086 -3.556 1.00 0.00 C ATOM 1361 O PRO A 91 7.879 3.596 -3.691 1.00 0.00 O ATOM 1362 CB PRO A 91 5.791 3.080 -5.682 1.00 0.00 C ATOM 1363 CG PRO A 91 6.687 3.406 -6.867 1.00 0.00 C ATOM 1364 CD PRO A 91 6.980 4.897 -6.834 1.00 0.00 C ATOM 0 HA PRO A 91 4.869 4.505 -4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 91 6.137 2.185 -5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.769 2.885 -6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.613 2.834 -6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.197 3.134 -7.802 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.053 5.090 -6.823 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.575 5.400 -7.712 1.00 0.00 H new ATOM 1372 N SER A 92 6.241 4.468 -2.397 1.00 0.00 N ATOM 1373 CA SER A 92 6.991 4.329 -1.161 1.00 0.00 C ATOM 1374 C SER A 92 7.681 2.964 -1.117 1.00 0.00 C ATOM 1375 O SER A 92 7.441 2.116 -1.975 1.00 0.00 O ATOM 1376 CB SER A 92 6.082 4.503 0.058 1.00 0.00 C ATOM 1377 OG SER A 92 4.934 3.661 -0.008 1.00 0.00 O ATOM 0 H SER A 92 5.311 4.873 -2.289 1.00 0.00 H new ATOM 0 HA SER A 92 7.748 5.113 -1.131 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.644 4.279 0.965 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.765 5.544 0.128 1.00 0.00 H new ATOM 0 HG SER A 92 4.474 3.802 -0.862 1.00 0.00 H new ATOM 1383 N ASN A 93 8.524 2.794 -0.109 1.00 0.00 N ATOM 1384 CA ASN A 93 9.250 1.546 0.057 1.00 0.00 C ATOM 1385 C ASN A 93 8.302 0.372 -0.193 1.00 0.00 C ATOM 1386 O ASN A 93 7.094 0.563 -0.328 1.00 0.00 O ATOM 1387 CB ASN A 93 9.801 1.415 1.478 1.00 0.00 C ATOM 1388 CG ASN A 93 9.076 0.308 2.247 1.00 0.00 C ATOM 1389 OD1 ASN A 93 9.416 -0.862 2.169 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.062 0.740 2.990 1.00 0.00 N ATOM 0 H ASN A 93 8.721 3.500 0.601 1.00 0.00 H new ATOM 0 HA ASN A 93 10.077 1.540 -0.653 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.868 1.197 1.439 1.00 0.00 H new ATOM 0 HB3 ASN A 93 9.688 2.363 2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.515 0.078 3.540 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.831 1.733 3.010 1.00 0.00 H new ATOM 1397 N THR A 94 8.884 -0.816 -0.247 1.00 0.00 N ATOM 1398 CA THR A 94 8.106 -2.022 -0.479 1.00 0.00 C ATOM 1399 C THR A 94 7.984 -2.834 0.812 1.00 0.00 C ATOM 1400 O THR A 94 8.983 -3.102 1.477 1.00 0.00 O ATOM 1401 CB THR A 94 8.763 -2.795 -1.624 1.00 0.00 C ATOM 1402 OG1 THR A 94 9.454 -1.795 -2.367 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.740 -3.356 -2.614 1.00 0.00 C ATOM 0 H THR A 94 9.886 -0.970 -0.134 1.00 0.00 H new ATOM 0 HA THR A 94 7.084 -1.784 -0.773 1.00 0.00 H new ATOM 0 HB THR A 94 9.359 -3.612 -1.216 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.910 -2.210 -3.128 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.259 -3.895 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.065 -4.036 -2.094 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.166 -2.537 -3.048 1.00 0.00 H new ATOM 1411 N ALA A 95 6.751 -3.202 1.127 1.00 0.00 N ATOM 1412 CA ALA A 95 6.485 -3.978 2.326 1.00 0.00 C ATOM 1413 C ALA A 95 5.709 -5.242 1.949 1.00 0.00 C ATOM 1414 O ALA A 95 4.965 -5.249 0.969 1.00 0.00 O ATOM 1415 CB ALA A 95 5.733 -3.112 3.339 1.00 0.00 C ATOM 0 H ALA A 95 5.925 -2.977 0.573 1.00 0.00 H new ATOM 0 HA ALA A 95 7.418 -4.292 2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.534 -3.694 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.339 -2.243 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.790 -2.780 2.905 1.00 0.00 H new ATOM 1421 N ASN A 96 5.909 -6.281 2.747 1.00 0.00 N ATOM 1422 CA ASN A 96 5.237 -7.547 2.509 1.00 0.00 C ATOM 1423 C ASN A 96 5.042 -8.274 3.841 1.00 0.00 C ATOM 1424 O ASN A 96 5.613 -7.880 4.857 1.00 0.00 O ATOM 1425 CB ASN A 96 6.070 -8.449 1.596 1.00 0.00 C ATOM 1426 CG ASN A 96 7.340 -8.924 2.305 1.00 0.00 C ATOM 1427 OD1 ASN A 96 7.313 -9.413 3.422 1.00 0.00 O ATOM 1428 ND2 ASN A 96 8.452 -8.753 1.595 1.00 0.00 N ATOM 0 H ASN A 96 6.527 -6.272 3.559 1.00 0.00 H new ATOM 0 HA ASN A 96 4.280 -7.337 2.032 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.476 -9.310 1.290 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.337 -7.907 0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.352 -9.038 1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.404 -8.337 0.665 1.00 0.00 H new ATOM 1435 N VAL A 97 4.233 -9.322 3.794 1.00 0.00 N ATOM 1436 CA VAL A 97 3.955 -10.107 4.984 1.00 0.00 C ATOM 1437 C VAL A 97 4.322 -11.569 4.723 1.00 0.00 C ATOM 1438 O VAL A 97 4.525 -11.966 3.577 1.00 0.00 O ATOM 1439 CB VAL A 97 2.495 -9.923 5.403 1.00 0.00 C ATOM 1440 CG1 VAL A 97 2.016 -8.498 5.114 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.594 -10.953 4.720 1.00 0.00 C ATOM 0 H VAL A 97 3.761 -9.646 2.950 1.00 0.00 H new ATOM 0 HA VAL A 97 4.565 -9.763 5.819 1.00 0.00 H new ATOM 0 HB VAL A 97 2.433 -10.085 6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.975 -8.395 5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.630 -7.788 5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.101 -8.295 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.562 -10.800 5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.664 -10.837 3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.913 -11.957 4.999 1.00 0.00 H new ATOM 1451 N SER A 98 4.396 -12.330 5.805 1.00 0.00 N ATOM 1452 CA SER A 98 4.735 -13.739 5.707 1.00 0.00 C ATOM 1453 C SER A 98 3.620 -14.589 6.320 1.00 0.00 C ATOM 1454 O SER A 98 2.849 -14.106 7.148 1.00 0.00 O ATOM 1455 CB SER A 98 6.068 -14.034 6.398 1.00 0.00 C ATOM 1456 OG SER A 98 6.322 -15.433 6.492 1.00 0.00 O ATOM 0 H SER A 98 4.227 -11.997 6.754 1.00 0.00 H new ATOM 0 HA SER A 98 4.839 -13.993 4.652 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.877 -13.555 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.063 -13.598 7.397 1.00 0.00 H new ATOM 0 HG SER A 98 7.183 -15.580 6.937 1.00 0.00 H new