USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 706 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 25 GLN : amide:sc= -3.86 K(o=-15,f=-16!) USER MOD Set 1.2: A 37 MET CE :methyl -169:sc= -4.99! (180deg=-4.44!) USER MOD Set 1.3: A 85 TYR OH : rot -70:sc= -6.17! USER MOD Set 2.1: A 46 ASN : amide:sc= 0 K(o=1.2,f=0.32) USER MOD Set 2.2: A 50 ASN :FLIP amide:sc= 1.19 F(o=-0.051,f=1.2) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.53) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.395 X(o=0.4,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 33 SER OG : rot 180:sc= -1.67! USER MOD Single : A 39 THR OG1 : rot 100:sc= 1.15 USER MOD Single : A 45 MET CE :methyl -155:sc= -0.0505 (180deg=-0.532) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 150:sc= -1.74 USER MOD Single : A 54 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.1!) USER MOD Single : A 55 GLN : amide:sc= -1.31 K(o=-1.3,f=-7.3!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00965) USER MOD Single : A 68 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 79 ASN : amide:sc= -1.02 X(o=-1,f=-0.55) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 32:sc= -2.28! USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 1.555 22.165 -8.035 1.00 0.00 N ATOM 63 CA LYS A 5 2.321 21.033 -8.552 1.00 0.00 C ATOM 64 C LYS A 5 3.199 20.408 -7.470 1.00 0.00 C ATOM 65 O LYS A 5 3.554 19.234 -7.553 1.00 0.00 O ATOM 66 CB LYS A 5 3.189 21.478 -9.731 1.00 0.00 C ATOM 67 CG LYS A 5 2.544 21.236 -11.087 1.00 0.00 C ATOM 68 CD LYS A 5 2.167 22.541 -11.770 1.00 0.00 C ATOM 69 CE LYS A 5 3.191 22.935 -12.821 1.00 0.00 C ATOM 70 NZ LYS A 5 2.776 22.515 -14.187 1.00 0.00 N ATOM 0 HA LYS A 5 1.610 20.278 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.411 22.540 -9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.141 20.948 -9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.231 20.678 -11.723 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.654 20.620 -10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.187 22.439 -12.236 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.085 23.333 -11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.334 24.015 -12.801 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.152 22.482 -12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.502 22.803 -14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.664 21.481 -14.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.871 22.967 -14.429 1.00 0.00 H new ATOM 84 N ALA A 6 3.543 21.189 -6.452 1.00 0.00 N ATOM 85 CA ALA A 6 4.372 20.687 -5.362 1.00 0.00 C ATOM 86 C ALA A 6 3.652 19.570 -4.608 1.00 0.00 C ATOM 87 O ALA A 6 4.241 18.534 -4.293 1.00 0.00 O ATOM 88 CB ALA A 6 4.739 21.817 -4.413 1.00 0.00 C ATOM 0 H ALA A 6 3.263 22.165 -6.358 1.00 0.00 H new ATOM 0 HA ALA A 6 5.289 20.278 -5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.358 21.427 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.292 22.583 -4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.830 22.252 -3.997 1.00 0.00 H new ATOM 94 N ASN A 7 2.372 19.787 -4.324 1.00 0.00 N ATOM 95 CA ASN A 7 1.571 18.801 -3.611 1.00 0.00 C ATOM 96 C ASN A 7 1.440 17.517 -4.421 1.00 0.00 C ATOM 97 O ASN A 7 1.615 16.418 -3.893 1.00 0.00 O ATOM 98 CB ASN A 7 0.183 19.370 -3.305 1.00 0.00 C ATOM 99 CG ASN A 7 -0.691 18.394 -2.542 1.00 0.00 C ATOM 100 OD1 ASN A 7 -0.261 17.798 -1.554 1.00 0.00 O ATOM 101 ND2 ASN A 7 -1.926 18.227 -2.999 1.00 0.00 N ATOM 0 H ASN A 7 1.868 20.637 -4.577 1.00 0.00 H new ATOM 0 HA ASN A 7 2.076 18.566 -2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.290 20.287 -2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -0.309 19.639 -4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.562 17.583 -2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.239 18.742 -3.822 1.00 0.00 H new ATOM 108 N LYS A 8 1.132 17.659 -5.705 1.00 0.00 N ATOM 109 CA LYS A 8 0.978 16.505 -6.581 1.00 0.00 C ATOM 110 C LYS A 8 2.306 15.776 -6.761 1.00 0.00 C ATOM 111 O LYS A 8 2.336 14.557 -6.929 1.00 0.00 O ATOM 112 CB LYS A 8 0.405 16.931 -7.939 1.00 0.00 C ATOM 113 CG LYS A 8 1.432 17.500 -8.907 1.00 0.00 C ATOM 114 CD LYS A 8 1.696 16.551 -10.067 1.00 0.00 C ATOM 115 CE LYS A 8 3.183 16.416 -10.349 1.00 0.00 C ATOM 116 NZ LYS A 8 3.638 17.360 -11.407 1.00 0.00 N ATOM 0 H LYS A 8 0.984 18.559 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 8 0.276 15.815 -6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.075 16.069 -8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.372 17.677 -7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.079 18.457 -9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.364 17.695 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.277 15.571 -9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.187 16.915 -10.959 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.744 16.601 -9.433 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.402 15.394 -10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.658 17.235 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.122 17.168 -12.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.453 18.337 -11.103 1.00 0.00 H new ATOM 130 N ASP A 9 3.402 16.526 -6.718 1.00 0.00 N ATOM 131 CA ASP A 9 4.725 15.934 -6.872 1.00 0.00 C ATOM 132 C ASP A 9 5.027 15.005 -5.700 1.00 0.00 C ATOM 133 O ASP A 9 5.446 13.863 -5.897 1.00 0.00 O ATOM 134 CB ASP A 9 5.801 17.029 -7.014 1.00 0.00 C ATOM 135 CG ASP A 9 6.554 17.327 -5.726 1.00 0.00 C ATOM 136 OD1 ASP A 9 7.239 16.417 -5.212 1.00 0.00 O ATOM 137 OD2 ASP A 9 6.466 18.473 -5.238 1.00 0.00 O ATOM 0 H ASP A 9 3.401 17.536 -6.579 1.00 0.00 H new ATOM 0 HA ASP A 9 4.739 15.341 -7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.516 16.725 -7.779 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.328 17.945 -7.367 1.00 0.00 H new ATOM 142 N LEU A 10 4.808 15.494 -4.482 1.00 0.00 N ATOM 143 CA LEU A 10 5.053 14.695 -3.288 1.00 0.00 C ATOM 144 C LEU A 10 4.171 13.450 -3.278 1.00 0.00 C ATOM 145 O LEU A 10 4.642 12.344 -3.010 1.00 0.00 O ATOM 146 CB LEU A 10 4.798 15.532 -2.029 1.00 0.00 C ATOM 147 CG LEU A 10 4.810 14.750 -0.710 1.00 0.00 C ATOM 148 CD1 LEU A 10 5.748 15.404 0.293 1.00 0.00 C ATOM 149 CD2 LEU A 10 3.404 14.647 -0.138 1.00 0.00 C ATOM 0 H LEU A 10 4.463 16.436 -4.298 1.00 0.00 H new ATOM 0 HA LEU A 10 6.096 14.377 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.553 16.316 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.832 16.026 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 10 5.174 13.743 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.742 14.834 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.759 15.424 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.416 16.423 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.432 14.089 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.012 15.647 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.759 14.131 -0.849 1.00 0.00 H new ATOM 161 N ILE A 11 2.886 13.634 -3.572 1.00 0.00 N ATOM 162 CA ILE A 11 1.943 12.521 -3.596 1.00 0.00 C ATOM 163 C ILE A 11 2.384 11.456 -4.594 1.00 0.00 C ATOM 164 O ILE A 11 2.460 10.274 -4.262 1.00 0.00 O ATOM 165 CB ILE A 11 0.519 12.995 -3.955 1.00 0.00 C ATOM 166 CG1 ILE A 11 0.062 14.089 -2.987 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.455 11.825 -3.933 1.00 0.00 C ATOM 168 CD1 ILE A 11 -0.965 15.029 -3.580 1.00 0.00 C ATOM 0 H ILE A 11 2.476 14.541 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 11 1.928 12.093 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 11 0.537 13.409 -4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.356 13.622 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.930 14.666 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.454 12.178 -4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.139 11.075 -4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.470 11.383 -2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.243 15.778 -2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.543 15.523 -4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.849 14.463 -3.874 1.00 0.00 H new ATOM 180 N SER A 12 2.680 11.883 -5.817 1.00 0.00 N ATOM 181 CA SER A 12 3.118 10.964 -6.860 1.00 0.00 C ATOM 182 C SER A 12 4.385 10.230 -6.437 1.00 0.00 C ATOM 183 O SER A 12 4.550 9.046 -6.731 1.00 0.00 O ATOM 184 CB SER A 12 3.363 11.719 -8.168 1.00 0.00 C ATOM 185 OG SER A 12 3.750 10.834 -9.204 1.00 0.00 O ATOM 0 H SER A 12 2.625 12.859 -6.110 1.00 0.00 H new ATOM 0 HA SER A 12 2.328 10.230 -7.018 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.457 12.251 -8.459 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.139 12.470 -8.018 1.00 0.00 H new ATOM 0 HG SER A 12 3.899 11.341 -10.029 1.00 0.00 H new ATOM 191 N ALA A 13 5.276 10.930 -5.738 1.00 0.00 N ATOM 192 CA ALA A 13 6.513 10.315 -5.280 1.00 0.00 C ATOM 193 C ALA A 13 6.207 9.229 -4.259 1.00 0.00 C ATOM 194 O ALA A 13 6.743 8.125 -4.334 1.00 0.00 O ATOM 195 CB ALA A 13 7.445 11.362 -4.688 1.00 0.00 C ATOM 0 H ALA A 13 5.164 11.911 -5.481 1.00 0.00 H new ATOM 0 HA ALA A 13 7.015 9.860 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.364 10.882 -4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.682 12.109 -5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.958 11.846 -3.842 1.00 0.00 H new ATOM 201 N GLY A 14 5.334 9.534 -3.307 1.00 0.00 N ATOM 202 CA GLY A 14 4.977 8.549 -2.311 1.00 0.00 C ATOM 203 C GLY A 14 4.272 7.367 -2.938 1.00 0.00 C ATOM 204 O GLY A 14 4.386 6.237 -2.461 1.00 0.00 O ATOM 0 H GLY A 14 4.872 10.438 -3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.875 8.208 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.331 9.005 -1.560 1.00 0.00 H new ATOM 208 N LEU A 15 3.545 7.629 -4.023 1.00 0.00 N ATOM 209 CA LEU A 15 2.822 6.579 -4.724 1.00 0.00 C ATOM 210 C LEU A 15 3.783 5.694 -5.513 1.00 0.00 C ATOM 211 O LEU A 15 3.626 4.472 -5.546 1.00 0.00 O ATOM 212 CB LEU A 15 1.788 7.208 -5.665 1.00 0.00 C ATOM 213 CG LEU A 15 0.333 7.114 -5.191 1.00 0.00 C ATOM 214 CD1 LEU A 15 -0.225 8.499 -4.896 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.522 6.404 -6.229 1.00 0.00 C ATOM 0 H LEU A 15 3.444 8.558 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 15 2.311 5.955 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.040 8.259 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.868 6.727 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 15 0.310 6.532 -4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.259 8.411 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.370 8.972 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.187 9.107 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.551 6.347 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.491 6.959 -7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.137 5.397 -6.390 1.00 0.00 H new ATOM 227 N LYS A 16 4.781 6.309 -6.145 1.00 0.00 N ATOM 228 CA LYS A 16 5.756 5.556 -6.924 1.00 0.00 C ATOM 229 C LYS A 16 6.643 4.725 -6.004 1.00 0.00 C ATOM 230 O LYS A 16 6.911 3.553 -6.276 1.00 0.00 O ATOM 231 CB LYS A 16 6.603 6.496 -7.796 1.00 0.00 C ATOM 232 CG LYS A 16 7.541 7.398 -7.014 1.00 0.00 C ATOM 233 CD LYS A 16 8.915 6.771 -6.835 1.00 0.00 C ATOM 234 CE LYS A 16 9.690 7.446 -5.715 1.00 0.00 C ATOM 235 NZ LYS A 16 11.089 6.942 -5.619 1.00 0.00 N ATOM 0 H LYS A 16 4.933 7.317 -6.132 1.00 0.00 H new ATOM 0 HA LYS A 16 5.217 4.879 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.190 5.896 -8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.936 7.117 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.642 8.352 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.109 7.610 -6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.806 5.709 -6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.476 6.848 -7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.704 8.523 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.178 7.277 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.581 7.429 -4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.077 5.919 -5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.586 7.126 -6.514 1.00 0.00 H new ATOM 249 N GLU A 17 7.079 5.330 -4.901 1.00 0.00 N ATOM 250 CA GLU A 17 7.915 4.630 -3.937 1.00 0.00 C ATOM 251 C GLU A 17 7.165 3.428 -3.381 1.00 0.00 C ATOM 252 O GLU A 17 7.703 2.322 -3.308 1.00 0.00 O ATOM 253 CB GLU A 17 8.320 5.569 -2.799 1.00 0.00 C ATOM 254 CG GLU A 17 9.730 5.331 -2.285 1.00 0.00 C ATOM 255 CD GLU A 17 9.933 5.857 -0.877 1.00 0.00 C ATOM 256 OE1 GLU A 17 9.902 7.093 -0.696 1.00 0.00 O ATOM 257 OE2 GLU A 17 10.124 5.035 0.043 1.00 0.00 O ATOM 0 H GLU A 17 6.867 6.297 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 17 8.819 4.287 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.237 6.600 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.617 5.451 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.944 4.262 -2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.443 5.811 -2.955 1.00 0.00 H new ATOM 264 N PHE A 18 5.910 3.654 -2.999 1.00 0.00 N ATOM 265 CA PHE A 18 5.072 2.593 -2.459 1.00 0.00 C ATOM 266 C PHE A 18 4.995 1.423 -3.431 1.00 0.00 C ATOM 267 O PHE A 18 5.196 0.269 -3.050 1.00 0.00 O ATOM 268 CB PHE A 18 3.667 3.127 -2.174 1.00 0.00 C ATOM 269 CG PHE A 18 2.958 2.405 -1.063 1.00 0.00 C ATOM 270 CD1 PHE A 18 2.396 1.158 -1.278 1.00 0.00 C ATOM 271 CD2 PHE A 18 2.851 2.977 0.195 1.00 0.00 C ATOM 272 CE1 PHE A 18 1.739 0.493 -0.260 1.00 0.00 C ATOM 273 CE2 PHE A 18 2.195 2.317 1.218 1.00 0.00 C ATOM 274 CZ PHE A 18 1.639 1.073 0.989 1.00 0.00 C ATOM 0 H PHE A 18 5.453 4.564 -3.055 1.00 0.00 H new ATOM 0 HA PHE A 18 5.517 2.243 -1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.735 4.185 -1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.069 3.053 -3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.472 0.699 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.285 3.949 0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.304 -0.479 -0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.117 2.773 2.194 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.127 0.555 1.786 1.00 0.00 H new ATOM 284 N SER A 19 4.709 1.731 -4.692 1.00 0.00 N ATOM 285 CA SER A 19 4.606 0.710 -5.729 1.00 0.00 C ATOM 286 C SER A 19 5.890 -0.108 -5.829 1.00 0.00 C ATOM 287 O SER A 19 5.847 -1.329 -5.991 1.00 0.00 O ATOM 288 CB SER A 19 4.295 1.358 -7.079 1.00 0.00 C ATOM 289 OG SER A 19 2.898 1.488 -7.275 1.00 0.00 O ATOM 0 H SER A 19 4.544 2.682 -5.021 1.00 0.00 H new ATOM 0 HA SER A 19 3.793 0.037 -5.457 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.765 2.340 -7.131 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.723 0.757 -7.881 1.00 0.00 H new ATOM 0 HG SER A 19 2.727 1.907 -8.145 1.00 0.00 H new ATOM 295 N VAL A 20 7.032 0.565 -5.720 1.00 0.00 N ATOM 296 CA VAL A 20 8.320 -0.117 -5.788 1.00 0.00 C ATOM 297 C VAL A 20 8.449 -1.117 -4.648 1.00 0.00 C ATOM 298 O VAL A 20 8.917 -2.240 -4.836 1.00 0.00 O ATOM 299 CB VAL A 20 9.499 0.872 -5.717 1.00 0.00 C ATOM 300 CG1 VAL A 20 10.785 0.203 -6.177 1.00 0.00 C ATOM 301 CG2 VAL A 20 9.210 2.116 -6.543 1.00 0.00 C ATOM 0 H VAL A 20 7.092 1.574 -5.585 1.00 0.00 H new ATOM 0 HA VAL A 20 8.357 -0.633 -6.748 1.00 0.00 H new ATOM 0 HB VAL A 20 9.627 1.179 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.607 0.917 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.001 -0.651 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.670 -0.137 -7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.056 2.800 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.051 1.833 -7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.316 2.607 -6.160 1.00 0.00 H new ATOM 311 N LEU A 21 8.023 -0.695 -3.464 1.00 0.00 N ATOM 312 CA LEU A 21 8.079 -1.543 -2.279 1.00 0.00 C ATOM 313 C LEU A 21 7.276 -2.826 -2.490 1.00 0.00 C ATOM 314 O LEU A 21 7.758 -3.923 -2.209 1.00 0.00 O ATOM 315 CB LEU A 21 7.554 -0.773 -1.060 1.00 0.00 C ATOM 316 CG LEU A 21 7.166 -1.626 0.151 1.00 0.00 C ATOM 317 CD1 LEU A 21 8.240 -2.661 0.456 1.00 0.00 C ATOM 318 CD2 LEU A 21 6.918 -0.738 1.362 1.00 0.00 C ATOM 0 H LEU A 21 7.633 0.233 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 21 9.117 -1.822 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.317 -0.060 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.683 -0.194 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 21 6.245 -2.159 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.940 -3.253 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.369 -3.316 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.181 -2.156 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.643 -1.356 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.824 -0.179 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.109 -0.041 1.143 1.00 0.00 H new ATOM 330 N LEU A 22 6.049 -2.682 -2.978 1.00 0.00 N ATOM 331 CA LEU A 22 5.186 -3.836 -3.218 1.00 0.00 C ATOM 332 C LEU A 22 5.819 -4.803 -4.216 1.00 0.00 C ATOM 333 O LEU A 22 5.763 -6.019 -4.038 1.00 0.00 O ATOM 334 CB LEU A 22 3.816 -3.386 -3.732 1.00 0.00 C ATOM 335 CG LEU A 22 3.182 -2.216 -2.975 1.00 0.00 C ATOM 336 CD1 LEU A 22 1.764 -1.965 -3.470 1.00 0.00 C ATOM 337 CD2 LEU A 22 3.190 -2.479 -1.474 1.00 0.00 C ATOM 0 H LEU A 22 5.630 -1.783 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 22 5.059 -4.355 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.914 -3.107 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.134 -4.236 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 22 3.775 -1.322 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.329 -1.130 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.787 -1.727 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.160 -2.858 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.735 -1.636 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.623 -3.385 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.217 -2.604 -1.132 1.00 0.00 H new ATOM 349 N ASN A 23 6.409 -4.254 -5.275 1.00 0.00 N ATOM 350 CA ASN A 23 7.040 -5.067 -6.312 1.00 0.00 C ATOM 351 C ASN A 23 8.153 -5.951 -5.746 1.00 0.00 C ATOM 352 O ASN A 23 8.373 -7.064 -6.223 1.00 0.00 O ATOM 353 CB ASN A 23 7.602 -4.169 -7.415 1.00 0.00 C ATOM 354 CG ASN A 23 6.568 -3.839 -8.473 1.00 0.00 C ATOM 355 OD1 ASN A 23 6.742 -4.159 -9.649 1.00 0.00 O ATOM 356 ND2 ASN A 23 5.482 -3.194 -8.059 1.00 0.00 N ATOM 0 H ASN A 23 6.463 -3.249 -5.438 1.00 0.00 H new ATOM 0 HA ASN A 23 6.273 -5.721 -6.727 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.974 -3.245 -6.973 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.453 -4.663 -7.884 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.752 -2.945 -8.726 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.379 -2.948 -7.074 1.00 0.00 H new ATOM 363 N GLN A 24 8.855 -5.448 -4.736 1.00 0.00 N ATOM 364 CA GLN A 24 9.947 -6.194 -4.118 1.00 0.00 C ATOM 365 C GLN A 24 9.424 -7.123 -3.029 1.00 0.00 C ATOM 366 O GLN A 24 9.770 -6.984 -1.855 1.00 0.00 O ATOM 367 CB GLN A 24 10.991 -5.234 -3.540 1.00 0.00 C ATOM 368 CG GLN A 24 10.417 -4.223 -2.562 1.00 0.00 C ATOM 369 CD GLN A 24 11.493 -3.434 -1.840 1.00 0.00 C ATOM 370 OE1 GLN A 24 11.970 -3.839 -0.779 1.00 0.00 O ATOM 371 NE2 GLN A 24 11.881 -2.301 -2.413 1.00 0.00 N ATOM 0 H GLN A 24 8.688 -4.528 -4.328 1.00 0.00 H new ATOM 0 HA GLN A 24 10.419 -6.803 -4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.765 -5.813 -3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.474 -4.700 -4.359 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.765 -3.534 -3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.799 -4.742 -1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.459 -2.004 -3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.602 -1.728 -1.974 1.00 0.00 H new ATOM 380 N GLN A 25 8.586 -8.070 -3.431 1.00 0.00 N ATOM 381 CA GLN A 25 8.007 -9.032 -2.497 1.00 0.00 C ATOM 382 C GLN A 25 8.558 -10.439 -2.730 1.00 0.00 C ATOM 383 O GLN A 25 9.346 -10.661 -3.649 1.00 0.00 O ATOM 384 CB GLN A 25 6.483 -9.030 -2.618 1.00 0.00 C ATOM 385 CG GLN A 25 5.780 -8.615 -1.338 1.00 0.00 C ATOM 386 CD GLN A 25 6.283 -7.288 -0.802 1.00 0.00 C ATOM 387 OE1 GLN A 25 5.820 -6.223 -1.213 1.00 0.00 O ATOM 388 NE2 GLN A 25 7.238 -7.344 0.120 1.00 0.00 N ATOM 0 H GLN A 25 8.291 -8.194 -4.399 1.00 0.00 H new ATOM 0 HA GLN A 25 8.285 -8.730 -1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.190 -8.354 -3.421 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.147 -10.027 -2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.708 -8.546 -1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.924 -9.387 -0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.593 -8.248 0.432 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.616 -6.483 0.516 1.00 0.00 H new ATOM 397 N VAL A 26 8.147 -11.384 -1.883 1.00 0.00 N ATOM 398 CA VAL A 26 8.612 -12.766 -1.992 1.00 0.00 C ATOM 399 C VAL A 26 7.645 -13.633 -2.797 1.00 0.00 C ATOM 400 O VAL A 26 7.082 -14.602 -2.289 1.00 0.00 O ATOM 401 CB VAL A 26 8.827 -13.401 -0.607 1.00 0.00 C ATOM 402 CG1 VAL A 26 9.513 -14.752 -0.739 1.00 0.00 C ATOM 403 CG2 VAL A 26 9.634 -12.470 0.286 1.00 0.00 C ATOM 0 H VAL A 26 7.495 -11.218 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 26 9.566 -12.725 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 26 7.853 -13.559 -0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.656 -15.185 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.893 -15.417 -1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.481 -14.623 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.777 -12.935 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.605 -12.279 -0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.099 -11.528 0.408 1.00 0.00 H new ATOM 413 N PHE A 27 7.483 -13.276 -4.060 1.00 0.00 N ATOM 414 CA PHE A 27 6.615 -13.996 -4.985 1.00 0.00 C ATOM 415 C PHE A 27 7.119 -15.414 -5.242 1.00 0.00 C ATOM 416 O PHE A 27 8.248 -15.752 -4.888 1.00 0.00 O ATOM 417 CB PHE A 27 6.430 -13.210 -6.271 1.00 0.00 C ATOM 418 CG PHE A 27 5.628 -11.961 -6.046 1.00 0.00 C ATOM 419 CD1 PHE A 27 4.274 -12.040 -5.758 1.00 0.00 C ATOM 420 CD2 PHE A 27 6.226 -10.713 -6.104 1.00 0.00 C ATOM 421 CE1 PHE A 27 3.531 -10.897 -5.535 1.00 0.00 C ATOM 422 CE2 PHE A 27 5.487 -9.565 -5.881 1.00 0.00 C ATOM 423 CZ PHE A 27 4.136 -9.658 -5.597 1.00 0.00 C ATOM 0 H PHE A 27 7.952 -12.473 -4.478 1.00 0.00 H new ATOM 0 HA PHE A 27 5.634 -14.097 -4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.405 -12.948 -6.681 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.931 -13.835 -7.011 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.795 -13.006 -5.707 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.280 -10.635 -6.326 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.477 -10.973 -5.312 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.964 -8.597 -5.929 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.556 -8.763 -5.424 1.00 0.00 H new ATOM 433 N ASN A 28 6.268 -16.239 -5.858 1.00 0.00 N ATOM 434 CA ASN A 28 6.600 -17.632 -6.178 1.00 0.00 C ATOM 435 C ASN A 28 6.386 -18.538 -4.969 1.00 0.00 C ATOM 436 O ASN A 28 5.301 -19.092 -4.790 1.00 0.00 O ATOM 437 CB ASN A 28 8.034 -17.763 -6.716 1.00 0.00 C ATOM 438 CG ASN A 28 8.065 -18.159 -8.178 1.00 0.00 C ATOM 439 OD1 ASN A 28 7.651 -19.259 -8.545 1.00 0.00 O ATOM 440 ND2 ASN A 28 8.558 -17.260 -9.021 1.00 0.00 N ATOM 0 H ASN A 28 5.331 -15.962 -6.149 1.00 0.00 H new ATOM 0 HA ASN A 28 5.922 -17.955 -6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.556 -16.815 -6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.574 -18.506 -6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.605 -17.468 -10.018 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.890 -16.361 -8.671 1.00 0.00 H new ATOM 447 N ASP A 29 7.409 -18.684 -4.134 1.00 0.00 N ATOM 448 CA ASP A 29 7.295 -19.521 -2.945 1.00 0.00 C ATOM 449 C ASP A 29 6.159 -19.011 -2.071 1.00 0.00 C ATOM 450 O ASP A 29 5.786 -17.851 -2.168 1.00 0.00 O ATOM 451 CB ASP A 29 8.609 -19.529 -2.163 1.00 0.00 C ATOM 452 CG ASP A 29 9.725 -20.224 -2.919 1.00 0.00 C ATOM 453 OD1 ASP A 29 9.709 -21.471 -2.988 1.00 0.00 O ATOM 454 OD2 ASP A 29 10.616 -19.521 -3.442 1.00 0.00 O ATOM 0 H ASP A 29 8.318 -18.238 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 29 7.079 -20.544 -3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.905 -18.503 -1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.456 -20.027 -1.206 1.00 0.00 H new ATOM 459 N ALA A 30 5.630 -19.853 -1.193 1.00 0.00 N ATOM 460 CA ALA A 30 4.566 -19.428 -0.294 1.00 0.00 C ATOM 461 C ALA A 30 4.940 -19.723 1.153 1.00 0.00 C ATOM 462 O ALA A 30 4.382 -20.633 1.766 1.00 0.00 O ATOM 463 CB ALA A 30 3.253 -20.101 -0.661 1.00 0.00 C ATOM 0 H ALA A 30 5.917 -20.826 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 30 4.435 -18.351 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.471 -19.770 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.980 -19.833 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.366 -21.183 -0.587 1.00 0.00 H new ATOM 469 N LEU A 31 5.896 -18.978 1.695 1.00 0.00 N ATOM 470 CA LEU A 31 6.337 -19.207 3.067 1.00 0.00 C ATOM 471 C LEU A 31 6.876 -17.928 3.702 1.00 0.00 C ATOM 472 O LEU A 31 8.010 -17.881 4.173 1.00 0.00 O ATOM 473 CB LEU A 31 7.399 -20.322 3.112 1.00 0.00 C ATOM 474 CG LEU A 31 8.733 -20.061 2.378 1.00 0.00 C ATOM 475 CD1 LEU A 31 8.590 -19.024 1.270 1.00 0.00 C ATOM 476 CD2 LEU A 31 9.812 -19.640 3.364 1.00 0.00 C ATOM 0 H LEU A 31 6.376 -18.218 1.213 1.00 0.00 H new ATOM 0 HA LEU A 31 5.470 -19.524 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.625 -20.531 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.956 -21.226 2.695 1.00 0.00 H new ATOM 0 HG LEU A 31 9.028 -20.998 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.554 -18.875 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.864 -19.374 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.249 -18.080 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.744 -19.461 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.504 -18.726 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.962 -20.431 4.099 1.00 0.00 H new ATOM 488 N VAL A 32 6.044 -16.894 3.718 1.00 0.00 N ATOM 489 CA VAL A 32 6.426 -15.616 4.302 1.00 0.00 C ATOM 490 C VAL A 32 5.324 -15.083 5.218 1.00 0.00 C ATOM 491 O VAL A 32 5.313 -13.904 5.572 1.00 0.00 O ATOM 492 CB VAL A 32 6.727 -14.576 3.206 1.00 0.00 C ATOM 493 CG1 VAL A 32 5.480 -14.296 2.379 1.00 0.00 C ATOM 494 CG2 VAL A 32 7.283 -13.296 3.815 1.00 0.00 C ATOM 0 H VAL A 32 5.100 -16.916 3.333 1.00 0.00 H new ATOM 0 HA VAL A 32 7.328 -15.783 4.890 1.00 0.00 H new ATOM 0 HB VAL A 32 7.487 -14.985 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.711 -13.559 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.141 -15.219 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.693 -13.909 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.488 -12.576 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.554 -12.876 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.206 -13.519 4.351 1.00 0.00 H new ATOM 504 N SER A 33 4.400 -15.963 5.597 1.00 0.00 N ATOM 505 CA SER A 33 3.289 -15.595 6.469 1.00 0.00 C ATOM 506 C SER A 33 2.477 -14.448 5.879 1.00 0.00 C ATOM 507 O SER A 33 2.955 -13.319 5.774 1.00 0.00 O ATOM 508 CB SER A 33 3.794 -15.219 7.868 1.00 0.00 C ATOM 509 OG SER A 33 5.182 -14.935 7.859 1.00 0.00 O ATOM 0 H SER A 33 4.400 -16.942 5.311 1.00 0.00 H new ATOM 0 HA SER A 33 2.638 -16.465 6.554 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.246 -14.350 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.593 -16.036 8.561 1.00 0.00 H new ATOM 0 HG SER A 33 5.473 -14.697 8.764 1.00 0.00 H new ATOM 515 N GLU A 34 1.239 -14.749 5.498 1.00 0.00 N ATOM 516 CA GLU A 34 0.354 -13.747 4.921 1.00 0.00 C ATOM 517 C GLU A 34 0.140 -12.594 5.891 1.00 0.00 C ATOM 518 O GLU A 34 0.238 -11.426 5.515 1.00 0.00 O ATOM 519 CB GLU A 34 -0.991 -14.377 4.553 1.00 0.00 C ATOM 520 CG GLU A 34 -1.952 -13.408 3.886 1.00 0.00 C ATOM 521 CD GLU A 34 -3.156 -14.103 3.281 1.00 0.00 C ATOM 522 OE1 GLU A 34 -2.967 -14.916 2.352 1.00 0.00 O ATOM 523 OE2 GLU A 34 -4.288 -13.834 3.737 1.00 0.00 O ATOM 0 H GLU A 34 0.828 -15.679 5.579 1.00 0.00 H new ATOM 0 HA GLU A 34 0.823 -13.357 4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.817 -15.221 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.456 -14.774 5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.290 -12.676 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.425 -12.858 3.106 1.00 0.00 H new ATOM 530 N GLU A 35 -0.146 -12.931 7.140 1.00 0.00 N ATOM 531 CA GLU A 35 -0.368 -11.927 8.173 1.00 0.00 C ATOM 532 C GLU A 35 0.855 -11.032 8.328 1.00 0.00 C ATOM 533 O GLU A 35 0.730 -9.834 8.588 1.00 0.00 O ATOM 534 CB GLU A 35 -0.699 -12.599 9.508 1.00 0.00 C ATOM 535 CG GLU A 35 -1.812 -13.630 9.412 1.00 0.00 C ATOM 536 CD GLU A 35 -1.442 -14.951 10.056 1.00 0.00 C ATOM 537 OE1 GLU A 35 -0.637 -15.697 9.460 1.00 0.00 O ATOM 538 OE2 GLU A 35 -1.958 -15.242 11.155 1.00 0.00 O ATOM 0 H GLU A 35 -0.230 -13.894 7.464 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.213 -11.309 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.199 -13.081 9.895 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.986 -11.834 10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.709 -13.236 9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.057 -13.798 8.363 1.00 0.00 H new ATOM 545 N ASP A 36 2.040 -11.613 8.160 1.00 0.00 N ATOM 546 CA ASP A 36 3.277 -10.854 8.274 1.00 0.00 C ATOM 547 C ASP A 36 3.325 -9.770 7.208 1.00 0.00 C ATOM 548 O ASP A 36 3.471 -8.586 7.518 1.00 0.00 O ATOM 549 CB ASP A 36 4.491 -11.776 8.146 1.00 0.00 C ATOM 550 CG ASP A 36 5.723 -11.207 8.822 1.00 0.00 C ATOM 551 OD1 ASP A 36 6.459 -10.440 8.167 1.00 0.00 O ATOM 552 OD2 ASP A 36 5.952 -11.529 10.008 1.00 0.00 O ATOM 0 H ASP A 36 2.167 -12.602 7.946 1.00 0.00 H new ATOM 0 HA ASP A 36 3.305 -10.385 9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.255 -12.746 8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.705 -11.946 7.091 1.00 0.00 H new ATOM 557 N MET A 37 3.180 -10.175 5.950 1.00 0.00 N ATOM 558 CA MET A 37 3.183 -9.227 4.846 1.00 0.00 C ATOM 559 C MET A 37 2.054 -8.222 5.034 1.00 0.00 C ATOM 560 O MET A 37 2.245 -7.016 4.887 1.00 0.00 O ATOM 561 CB MET A 37 3.025 -9.956 3.511 1.00 0.00 C ATOM 562 CG MET A 37 3.292 -9.076 2.300 1.00 0.00 C ATOM 563 SD MET A 37 4.960 -8.389 2.293 1.00 0.00 S ATOM 564 CE MET A 37 5.927 -9.844 1.901 1.00 0.00 C ATOM 0 H MET A 37 3.060 -11.149 5.673 1.00 0.00 H new ATOM 0 HA MET A 37 4.137 -8.699 4.836 1.00 0.00 H new ATOM 0 HB2 MET A 37 3.706 -10.807 3.489 1.00 0.00 H new ATOM 0 HB3 MET A 37 2.013 -10.356 3.443 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.140 -9.659 1.392 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.568 -8.262 2.281 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.985 -9.629 2.052 1.00 0.00 H new ATOM 0 HE2 MET A 37 5.628 -10.666 2.551 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.758 -10.124 0.861 1.00 0.00 H new ATOM 574 N VAL A 38 0.872 -8.739 5.361 1.00 0.00 N ATOM 575 CA VAL A 38 -0.301 -7.904 5.574 1.00 0.00 C ATOM 576 C VAL A 38 -0.038 -6.863 6.659 1.00 0.00 C ATOM 577 O VAL A 38 -0.407 -5.696 6.511 1.00 0.00 O ATOM 578 CB VAL A 38 -1.521 -8.762 5.971 1.00 0.00 C ATOM 579 CG1 VAL A 38 -2.737 -7.892 6.256 1.00 0.00 C ATOM 580 CG2 VAL A 38 -1.830 -9.782 4.885 1.00 0.00 C ATOM 0 H VAL A 38 0.704 -9.737 5.484 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.515 -7.393 4.636 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.274 -9.297 6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.580 -8.525 6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.512 -7.209 7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.991 -7.319 5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.693 -10.379 5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.050 -9.264 3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.969 -10.435 4.743 1.00 0.00 H new ATOM 590 N THR A 39 0.606 -7.281 7.744 1.00 0.00 N ATOM 591 CA THR A 39 0.916 -6.366 8.835 1.00 0.00 C ATOM 592 C THR A 39 1.882 -5.288 8.360 1.00 0.00 C ATOM 593 O THR A 39 1.773 -4.125 8.746 1.00 0.00 O ATOM 594 CB THR A 39 1.520 -7.129 10.015 1.00 0.00 C ATOM 595 OG1 THR A 39 0.651 -8.162 10.442 1.00 0.00 O ATOM 596 CG2 THR A 39 1.810 -6.248 11.211 1.00 0.00 C ATOM 0 H THR A 39 0.921 -8.240 7.890 1.00 0.00 H new ATOM 0 HA THR A 39 -0.009 -5.891 9.162 1.00 0.00 H new ATOM 0 HB THR A 39 2.462 -7.534 9.646 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.954 -9.018 10.072 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.237 -6.851 12.012 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.518 -5.470 10.926 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.884 -5.788 11.557 1.00 0.00 H new ATOM 604 N VAL A 40 2.828 -5.687 7.515 1.00 0.00 N ATOM 605 CA VAL A 40 3.816 -4.761 6.979 1.00 0.00 C ATOM 606 C VAL A 40 3.146 -3.656 6.170 1.00 0.00 C ATOM 607 O VAL A 40 3.466 -2.478 6.329 1.00 0.00 O ATOM 608 CB VAL A 40 4.847 -5.486 6.094 1.00 0.00 C ATOM 609 CG1 VAL A 40 5.998 -4.556 5.746 1.00 0.00 C ATOM 610 CG2 VAL A 40 5.357 -6.744 6.783 1.00 0.00 C ATOM 0 H VAL A 40 2.930 -6.647 7.187 1.00 0.00 H new ATOM 0 HA VAL A 40 4.334 -4.320 7.831 1.00 0.00 H new ATOM 0 HB VAL A 40 4.356 -5.783 5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.717 -5.085 5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.615 -3.690 5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.488 -4.225 6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.084 -7.241 6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.831 -6.475 7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.522 -7.418 6.975 1.00 0.00 H new ATOM 620 N VAL A 41 2.208 -4.039 5.307 1.00 0.00 N ATOM 621 CA VAL A 41 1.491 -3.071 4.485 1.00 0.00 C ATOM 622 C VAL A 41 0.692 -2.111 5.364 1.00 0.00 C ATOM 623 O VAL A 41 0.688 -0.902 5.136 1.00 0.00 O ATOM 624 CB VAL A 41 0.534 -3.765 3.488 1.00 0.00 C ATOM 625 CG1 VAL A 41 -0.297 -2.738 2.729 1.00 0.00 C ATOM 626 CG2 VAL A 41 1.313 -4.642 2.518 1.00 0.00 C ATOM 0 H VAL A 41 1.928 -5.009 5.160 1.00 0.00 H new ATOM 0 HA VAL A 41 2.238 -2.515 3.917 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.145 -4.399 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.962 -3.250 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.889 -2.155 3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.365 -2.073 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.621 -5.121 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.019 -4.028 1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.857 -5.406 3.074 1.00 0.00 H new ATOM 636 N GLU A 42 0.019 -2.663 6.369 1.00 0.00 N ATOM 637 CA GLU A 42 -0.781 -1.858 7.285 1.00 0.00 C ATOM 638 C GLU A 42 0.105 -0.914 8.093 1.00 0.00 C ATOM 639 O GLU A 42 -0.251 0.243 8.326 1.00 0.00 O ATOM 640 CB GLU A 42 -1.579 -2.765 8.227 1.00 0.00 C ATOM 641 CG GLU A 42 -3.064 -2.443 8.269 1.00 0.00 C ATOM 642 CD GLU A 42 -3.501 -1.874 9.606 1.00 0.00 C ATOM 643 OE1 GLU A 42 -3.380 -2.587 10.623 1.00 0.00 O ATOM 644 OE2 GLU A 42 -3.963 -0.714 9.633 1.00 0.00 O ATOM 0 H GLU A 42 0.012 -3.663 6.569 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.475 -1.258 6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.449 -3.802 7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.169 -2.680 9.233 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.299 -1.729 7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.634 -3.348 8.060 1.00 0.00 H new ATOM 651 N ASP A 43 1.262 -1.415 8.513 1.00 0.00 N ATOM 652 CA ASP A 43 2.205 -0.616 9.289 1.00 0.00 C ATOM 653 C ASP A 43 2.798 0.496 8.432 1.00 0.00 C ATOM 654 O ASP A 43 2.997 1.617 8.899 1.00 0.00 O ATOM 655 CB ASP A 43 3.321 -1.504 9.846 1.00 0.00 C ATOM 656 CG ASP A 43 3.105 -1.857 11.304 1.00 0.00 C ATOM 657 OD1 ASP A 43 3.492 -1.049 12.174 1.00 0.00 O ATOM 658 OD2 ASP A 43 2.549 -2.941 11.577 1.00 0.00 O ATOM 0 H ASP A 43 1.570 -2.370 8.329 1.00 0.00 H new ATOM 0 HA ASP A 43 1.667 -0.162 10.122 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.380 -2.420 9.258 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.277 -0.993 9.737 1.00 0.00 H new ATOM 663 N TRP A 44 3.076 0.173 7.173 1.00 0.00 N ATOM 664 CA TRP A 44 3.643 1.141 6.243 1.00 0.00 C ATOM 665 C TRP A 44 2.639 2.244 5.933 1.00 0.00 C ATOM 666 O TRP A 44 2.966 3.430 5.982 1.00 0.00 O ATOM 667 CB TRP A 44 4.062 0.445 4.946 1.00 0.00 C ATOM 668 CG TRP A 44 5.381 -0.257 5.042 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.424 0.065 5.860 1.00 0.00 C ATOM 670 CD2 TRP A 44 5.799 -1.400 4.288 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.467 -0.808 5.662 1.00 0.00 N ATOM 672 CE2 TRP A 44 7.107 -1.718 4.702 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.194 -2.187 3.304 1.00 0.00 C ATOM 674 CZ2 TRP A 44 7.819 -2.787 4.164 1.00 0.00 C ATOM 675 CZ3 TRP A 44 5.902 -3.248 2.771 1.00 0.00 C ATOM 676 CH2 TRP A 44 7.202 -3.540 3.203 1.00 0.00 C ATOM 0 H TRP A 44 2.917 -0.752 6.774 1.00 0.00 H new ATOM 0 HA TRP A 44 4.520 1.588 6.711 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.295 -0.277 4.667 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.110 1.184 4.146 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.429 0.886 6.561 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.363 -0.783 6.150 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.191 -1.970 2.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.822 -3.013 4.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.445 -3.862 2.009 1.00 0.00 H new ATOM 0 HH2 TRP A 44 7.728 -4.377 2.768 1.00 0.00 H new ATOM 687 N MET A 45 1.414 1.841 5.606 1.00 0.00 N ATOM 688 CA MET A 45 0.356 2.789 5.278 1.00 0.00 C ATOM 689 C MET A 45 0.104 3.763 6.421 1.00 0.00 C ATOM 690 O MET A 45 0.041 4.975 6.215 1.00 0.00 O ATOM 691 CB MET A 45 -0.933 2.037 4.938 1.00 0.00 C ATOM 692 CG MET A 45 -2.087 2.948 4.552 1.00 0.00 C ATOM 693 SD MET A 45 -3.677 2.098 4.571 1.00 0.00 S ATOM 694 CE MET A 45 -3.287 0.626 3.628 1.00 0.00 C ATOM 0 H MET A 45 1.130 0.862 5.561 1.00 0.00 H new ATOM 0 HA MET A 45 0.680 3.366 4.412 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.735 1.348 4.117 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.229 1.434 5.796 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.123 3.794 5.239 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.908 3.353 3.556 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.197 0.232 3.175 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.570 0.875 2.845 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.856 -0.126 4.289 1.00 0.00 H new ATOM 704 N ASN A 46 -0.043 3.229 7.626 1.00 0.00 N ATOM 705 CA ASN A 46 -0.295 4.056 8.802 1.00 0.00 C ATOM 706 C ASN A 46 0.878 4.992 9.079 1.00 0.00 C ATOM 707 O ASN A 46 0.688 6.164 9.415 1.00 0.00 O ATOM 708 CB ASN A 46 -0.561 3.173 10.025 1.00 0.00 C ATOM 709 CG ASN A 46 -1.740 3.660 10.843 1.00 0.00 C ATOM 710 OD1 ASN A 46 -1.849 4.846 11.153 1.00 0.00 O ATOM 711 ND2 ASN A 46 -2.631 2.741 11.201 1.00 0.00 N ATOM 0 H ASN A 46 0.008 2.228 7.816 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.177 4.665 8.602 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.747 2.150 9.698 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.329 3.150 10.654 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.445 3.008 11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.501 1.769 10.922 1.00 0.00 H new ATOM 718 N PHE A 47 2.090 4.472 8.926 1.00 0.00 N ATOM 719 CA PHE A 47 3.290 5.266 9.152 1.00 0.00 C ATOM 720 C PHE A 47 3.421 6.351 8.091 1.00 0.00 C ATOM 721 O PHE A 47 3.937 7.437 8.355 1.00 0.00 O ATOM 722 CB PHE A 47 4.531 4.370 9.143 1.00 0.00 C ATOM 723 CG PHE A 47 5.818 5.121 9.344 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.374 5.854 8.309 1.00 0.00 C ATOM 725 CD2 PHE A 47 6.467 5.094 10.568 1.00 0.00 C ATOM 726 CE1 PHE A 47 7.557 6.546 8.490 1.00 0.00 C ATOM 727 CE2 PHE A 47 7.649 5.784 10.755 1.00 0.00 C ATOM 728 CZ PHE A 47 8.195 6.511 9.715 1.00 0.00 C ATOM 0 H PHE A 47 2.267 3.507 8.647 1.00 0.00 H new ATOM 0 HA PHE A 47 3.207 5.742 10.129 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.432 3.619 9.927 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.576 3.836 8.194 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.878 5.885 7.350 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.044 4.527 11.384 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.982 7.113 7.675 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.146 5.755 11.713 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.119 7.051 9.859 1.00 0.00 H new ATOM 738 N TYR A 48 2.947 6.048 6.887 1.00 0.00 N ATOM 739 CA TYR A 48 3.010 6.996 5.783 1.00 0.00 C ATOM 740 C TYR A 48 2.022 8.138 5.989 1.00 0.00 C ATOM 741 O TYR A 48 2.369 9.303 5.813 1.00 0.00 O ATOM 742 CB TYR A 48 2.724 6.289 4.457 1.00 0.00 C ATOM 743 CG TYR A 48 3.965 5.755 3.779 1.00 0.00 C ATOM 744 CD1 TYR A 48 5.060 6.577 3.546 1.00 0.00 C ATOM 745 CD2 TYR A 48 4.042 4.428 3.375 1.00 0.00 C ATOM 746 CE1 TYR A 48 6.196 6.092 2.927 1.00 0.00 C ATOM 747 CE2 TYR A 48 5.176 3.936 2.756 1.00 0.00 C ATOM 748 CZ TYR A 48 6.250 4.771 2.534 1.00 0.00 C ATOM 749 OH TYR A 48 7.380 4.285 1.918 1.00 0.00 O ATOM 0 H TYR A 48 2.516 5.154 6.652 1.00 0.00 H new ATOM 0 HA TYR A 48 4.017 7.413 5.753 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.034 5.465 4.635 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.223 6.985 3.784 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.023 7.612 3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.203 3.770 3.547 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.038 6.745 2.752 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.220 2.902 2.448 1.00 0.00 H new ATOM 0 HH TYR A 48 7.255 3.336 1.707 1.00 0.00 H new ATOM 759 N ILE A 49 0.790 7.802 6.360 1.00 0.00 N ATOM 760 CA ILE A 49 -0.233 8.815 6.586 1.00 0.00 C ATOM 761 C ILE A 49 0.175 9.745 7.727 1.00 0.00 C ATOM 762 O ILE A 49 -0.029 10.957 7.655 1.00 0.00 O ATOM 763 CB ILE A 49 -1.609 8.173 6.894 1.00 0.00 C ATOM 764 CG1 ILE A 49 -2.306 7.773 5.592 1.00 0.00 C ATOM 765 CG2 ILE A 49 -2.495 9.121 7.694 1.00 0.00 C ATOM 766 CD1 ILE A 49 -2.003 6.359 5.150 1.00 0.00 C ATOM 0 H ILE A 49 0.478 6.842 6.509 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.327 9.396 5.669 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.438 7.282 7.498 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.383 7.882 5.719 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.007 8.463 4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.453 8.642 7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.007 9.365 8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.659 10.035 7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.532 6.147 4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.930 6.250 4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.328 5.659 5.920 1.00 0.00 H new ATOM 778 N ASN A 50 0.753 9.171 8.777 1.00 0.00 N ATOM 779 CA ASN A 50 1.188 9.952 9.932 1.00 0.00 C ATOM 780 C ASN A 50 2.376 10.846 9.577 1.00 0.00 C ATOM 781 O ASN A 50 2.467 11.985 10.038 1.00 0.00 O ATOM 782 CB ASN A 50 1.562 9.024 11.090 1.00 0.00 C ATOM 783 CG ASN A 50 0.348 8.556 11.869 1.00 0.00 C ATOM 784 OD1 ASN A 50 0.074 9.215 12.989 1.00 0.00 O flip ATOM 785 ND2 ASN A 50 -0.334 7.612 11.470 1.00 0.00 N flip ATOM 0 H ASN A 50 0.931 8.170 8.853 1.00 0.00 H new ATOM 0 HA ASN A 50 0.358 10.590 10.237 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.097 8.158 10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.244 9.543 11.763 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.086 7.134 10.603 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.147 7.307 12.006 1.00 0.00 H new ATOM 792 N TYR A 51 3.290 10.317 8.772 1.00 0.00 N ATOM 793 CA TYR A 51 4.481 11.061 8.369 1.00 0.00 C ATOM 794 C TYR A 51 4.173 12.078 7.272 1.00 0.00 C ATOM 795 O TYR A 51 4.810 13.128 7.193 1.00 0.00 O ATOM 796 CB TYR A 51 5.562 10.095 7.882 1.00 0.00 C ATOM 797 CG TYR A 51 6.967 10.627 8.053 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.535 11.457 7.095 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.725 10.301 9.171 1.00 0.00 C ATOM 800 CE1 TYR A 51 8.817 11.947 7.245 1.00 0.00 C ATOM 801 CE2 TYR A 51 9.009 10.788 9.329 1.00 0.00 C ATOM 802 CZ TYR A 51 9.550 11.610 8.362 1.00 0.00 C ATOM 803 OH TYR A 51 10.828 12.097 8.517 1.00 0.00 O ATOM 0 H TYR A 51 3.231 9.375 8.384 1.00 0.00 H new ATOM 0 HA TYR A 51 4.837 11.607 9.243 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.469 9.155 8.425 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.392 9.873 6.829 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.964 11.724 6.218 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.304 9.657 9.929 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.243 12.591 6.490 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.585 10.527 10.204 1.00 0.00 H new ATOM 0 HH TYR A 51 11.205 11.765 9.359 1.00 0.00 H new ATOM 813 N TYR A 52 3.209 11.757 6.418 1.00 0.00 N ATOM 814 CA TYR A 52 2.840 12.640 5.317 1.00 0.00 C ATOM 815 C TYR A 52 2.027 13.834 5.804 1.00 0.00 C ATOM 816 O TYR A 52 2.191 14.948 5.307 1.00 0.00 O ATOM 817 CB TYR A 52 2.057 11.867 4.255 1.00 0.00 C ATOM 818 CG TYR A 52 2.939 11.257 3.188 1.00 0.00 C ATOM 819 CD1 TYR A 52 3.961 11.992 2.604 1.00 0.00 C ATOM 820 CD2 TYR A 52 2.753 9.945 2.769 1.00 0.00 C ATOM 821 CE1 TYR A 52 4.775 11.440 1.633 1.00 0.00 C ATOM 822 CE2 TYR A 52 3.562 9.385 1.799 1.00 0.00 C ATOM 823 CZ TYR A 52 4.571 10.136 1.235 1.00 0.00 C ATOM 824 OH TYR A 52 5.380 9.582 0.271 1.00 0.00 O ATOM 0 H TYR A 52 2.669 10.893 6.466 1.00 0.00 H new ATOM 0 HA TYR A 52 3.761 13.021 4.876 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.485 11.076 4.739 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.339 12.537 3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.123 13.014 2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.963 9.354 3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.566 12.026 1.189 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.405 8.364 1.484 1.00 0.00 H new ATOM 0 HH TYR A 52 5.459 8.617 0.425 1.00 0.00 H new ATOM 834 N ARG A 53 1.145 13.602 6.770 1.00 0.00 N ATOM 835 CA ARG A 53 0.310 14.673 7.304 1.00 0.00 C ATOM 836 C ARG A 53 1.155 15.845 7.808 1.00 0.00 C ATOM 837 O ARG A 53 0.662 16.966 7.928 1.00 0.00 O ATOM 838 CB ARG A 53 -0.587 14.150 8.426 1.00 0.00 C ATOM 839 CG ARG A 53 0.161 13.391 9.507 1.00 0.00 C ATOM 840 CD ARG A 53 -0.768 12.977 10.636 1.00 0.00 C ATOM 841 NE ARG A 53 -1.810 12.059 10.177 1.00 0.00 N ATOM 842 CZ ARG A 53 -2.984 11.903 10.786 1.00 0.00 C ATOM 843 NH1 ARG A 53 -3.272 12.596 11.880 1.00 0.00 N ATOM 844 NH2 ARG A 53 -3.873 11.047 10.298 1.00 0.00 N ATOM 0 H ARG A 53 0.990 12.689 7.197 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.318 15.035 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.110 14.991 8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.347 13.497 7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.629 12.506 9.075 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.963 14.014 9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.188 12.502 11.427 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.231 13.864 11.069 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.627 11.505 9.340 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.592 13.254 12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.173 12.471 12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.656 10.510 9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.773 10.926 10.763 1.00 0.00 H new ATOM 858 N GLN A 54 2.426 15.582 8.111 1.00 0.00 N ATOM 859 CA GLN A 54 3.326 16.622 8.609 1.00 0.00 C ATOM 860 C GLN A 54 3.782 17.552 7.481 1.00 0.00 C ATOM 861 O GLN A 54 4.002 18.744 7.696 1.00 0.00 O ATOM 862 CB GLN A 54 4.537 15.980 9.289 1.00 0.00 C ATOM 863 CG GLN A 54 4.247 15.472 10.692 1.00 0.00 C ATOM 864 CD GLN A 54 4.836 16.361 11.769 1.00 0.00 C ATOM 865 OE1 GLN A 54 5.306 17.464 11.492 1.00 0.00 O ATOM 866 NE2 GLN A 54 4.811 15.884 13.009 1.00 0.00 N ATOM 0 H GLN A 54 2.855 14.661 8.021 1.00 0.00 H new ATOM 0 HA GLN A 54 2.781 17.224 9.336 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.890 15.150 8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.346 16.709 9.335 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.168 15.403 10.833 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.648 14.464 10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.411 14.964 13.193 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.191 16.438 13.776 1.00 0.00 H new ATOM 875 N GLN A 55 3.921 16.995 6.281 1.00 0.00 N ATOM 876 CA GLN A 55 4.350 17.772 5.113 1.00 0.00 C ATOM 877 C GLN A 55 3.157 18.439 4.423 1.00 0.00 C ATOM 878 O GLN A 55 3.181 18.690 3.218 1.00 0.00 O ATOM 879 CB GLN A 55 5.084 16.871 4.116 1.00 0.00 C ATOM 880 CG GLN A 55 5.968 15.823 4.773 1.00 0.00 C ATOM 881 CD GLN A 55 7.044 16.435 5.647 1.00 0.00 C ATOM 882 OE1 GLN A 55 6.811 17.430 6.333 1.00 0.00 O ATOM 883 NE2 GLN A 55 8.231 15.841 5.627 1.00 0.00 N ATOM 0 H GLN A 55 3.744 16.009 6.088 1.00 0.00 H new ATOM 0 HA GLN A 55 5.027 18.552 5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.350 16.370 3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.697 17.492 3.462 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.350 15.158 5.376 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.436 15.212 4.001 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.380 15.018 5.043 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.994 16.208 6.195 1.00 0.00 H new ATOM 892 N VAL A 56 2.105 18.685 5.193 1.00 0.00 N ATOM 893 CA VAL A 56 0.890 19.280 4.653 1.00 0.00 C ATOM 894 C VAL A 56 0.826 20.801 4.801 1.00 0.00 C ATOM 895 O VAL A 56 -0.264 21.362 4.876 1.00 0.00 O ATOM 896 CB VAL A 56 -0.369 18.670 5.281 1.00 0.00 C ATOM 897 CG1 VAL A 56 -1.595 19.077 4.484 1.00 0.00 C ATOM 898 CG2 VAL A 56 -0.255 17.157 5.355 1.00 0.00 C ATOM 0 H VAL A 56 2.069 18.482 6.192 1.00 0.00 H new ATOM 0 HA VAL A 56 0.925 19.051 3.588 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.470 19.049 6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.485 18.640 4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.685 20.163 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.497 18.721 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.159 16.746 5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.132 16.752 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.608 16.886 5.964 1.00 0.00 H new ATOM 908 N THR A 57 1.984 21.460 4.874 1.00 0.00 N ATOM 909 CA THR A 57 2.070 22.929 5.034 1.00 0.00 C ATOM 910 C THR A 57 0.853 23.706 4.474 1.00 0.00 C ATOM 911 O THR A 57 0.634 24.858 4.848 1.00 0.00 O ATOM 912 CB THR A 57 3.354 23.446 4.384 1.00 0.00 C ATOM 913 OG1 THR A 57 3.854 22.512 3.445 1.00 0.00 O ATOM 914 CG2 THR A 57 4.456 23.727 5.384 1.00 0.00 C ATOM 0 H THR A 57 2.893 20.999 4.825 1.00 0.00 H new ATOM 0 HA THR A 57 2.075 23.112 6.108 1.00 0.00 H new ATOM 0 HB THR A 57 3.076 24.381 3.898 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.674 22.863 3.040 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.339 24.091 4.859 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.119 24.482 6.094 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.704 22.810 5.919 1.00 0.00 H new ATOM 922 N GLY A 58 0.035 23.062 3.642 1.00 0.00 N ATOM 923 CA GLY A 58 -1.168 23.711 3.144 1.00 0.00 C ATOM 924 C GLY A 58 -2.144 23.900 4.289 1.00 0.00 C ATOM 925 O GLY A 58 -1.861 23.443 5.398 1.00 0.00 O ATOM 0 H GLY A 58 0.182 22.110 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.918 24.675 2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.623 23.107 2.359 1.00 0.00 H new ATOM 929 N GLU A 59 -3.280 24.564 4.080 1.00 0.00 N ATOM 930 CA GLU A 59 -4.235 24.775 5.166 1.00 0.00 C ATOM 931 C GLU A 59 -5.107 23.536 5.390 1.00 0.00 C ATOM 932 O GLU A 59 -4.980 22.547 4.671 1.00 0.00 O ATOM 933 CB GLU A 59 -5.113 25.981 4.823 1.00 0.00 C ATOM 934 CG GLU A 59 -4.754 27.238 5.602 1.00 0.00 C ATOM 935 CD GLU A 59 -4.122 28.304 4.729 1.00 0.00 C ATOM 936 OE1 GLU A 59 -4.871 29.048 4.063 1.00 0.00 O ATOM 937 OE2 GLU A 59 -2.876 28.395 4.712 1.00 0.00 O ATOM 0 H GLU A 59 -3.559 24.960 3.182 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.685 24.961 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.030 26.189 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.155 25.728 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.653 27.641 6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.067 26.978 6.407 1.00 0.00 H new ATOM 944 N PRO A 60 -6.006 23.568 6.400 1.00 0.00 N ATOM 945 CA PRO A 60 -6.890 22.443 6.716 1.00 0.00 C ATOM 946 C PRO A 60 -7.533 21.825 5.482 1.00 0.00 C ATOM 947 O PRO A 60 -7.732 20.612 5.438 1.00 0.00 O ATOM 948 CB PRO A 60 -7.961 23.051 7.638 1.00 0.00 C ATOM 949 CG PRO A 60 -7.678 24.519 7.684 1.00 0.00 C ATOM 950 CD PRO A 60 -6.229 24.681 7.332 1.00 0.00 C ATOM 0 HA PRO A 60 -6.334 21.626 7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.962 22.858 7.253 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.913 22.613 8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.312 25.059 6.980 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.885 24.924 8.675 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.029 25.647 6.867 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.587 24.611 8.210 1.00 0.00 H new ATOM 958 N GLN A 61 -7.840 22.629 4.467 1.00 0.00 N ATOM 959 CA GLN A 61 -8.429 22.087 3.252 1.00 0.00 C ATOM 960 C GLN A 61 -7.384 21.254 2.531 1.00 0.00 C ATOM 961 O GLN A 61 -7.677 20.187 1.992 1.00 0.00 O ATOM 962 CB GLN A 61 -8.929 23.213 2.345 1.00 0.00 C ATOM 963 CG GLN A 61 -7.839 24.185 1.919 1.00 0.00 C ATOM 964 CD GLN A 61 -8.306 25.154 0.851 1.00 0.00 C ATOM 965 OE1 GLN A 61 -8.062 24.951 -0.339 1.00 0.00 O ATOM 966 NE2 GLN A 61 -8.983 26.217 1.271 1.00 0.00 N ATOM 0 H GLN A 61 -7.693 23.638 4.462 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.284 21.462 3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.382 22.776 1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.713 23.765 2.864 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.498 24.746 2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.983 23.624 1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.163 26.346 2.267 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.323 26.904 0.598 1.00 0.00 H new ATOM 975 N GLU A 62 -6.150 21.746 2.557 1.00 0.00 N ATOM 976 CA GLU A 62 -5.037 21.051 1.939 1.00 0.00 C ATOM 977 C GLU A 62 -4.746 19.770 2.707 1.00 0.00 C ATOM 978 O GLU A 62 -4.352 18.761 2.128 1.00 0.00 O ATOM 979 CB GLU A 62 -3.792 21.941 1.910 1.00 0.00 C ATOM 980 CG GLU A 62 -2.806 21.571 0.813 1.00 0.00 C ATOM 981 CD GLU A 62 -2.568 22.705 -0.165 1.00 0.00 C ATOM 982 OE1 GLU A 62 -1.647 23.514 0.075 1.00 0.00 O ATOM 983 OE2 GLU A 62 -3.304 22.784 -1.172 1.00 0.00 O ATOM 0 H GLU A 62 -5.899 22.628 3.003 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.304 20.804 0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.100 22.978 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.289 21.880 2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.857 21.281 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.180 20.702 0.272 1.00 0.00 H new ATOM 990 N ARG A 63 -4.959 19.818 4.022 1.00 0.00 N ATOM 991 CA ARG A 63 -4.733 18.655 4.872 1.00 0.00 C ATOM 992 C ARG A 63 -5.810 17.613 4.633 1.00 0.00 C ATOM 993 O ARG A 63 -5.514 16.461 4.328 1.00 0.00 O ATOM 994 CB ARG A 63 -4.711 19.068 6.345 1.00 0.00 C ATOM 995 CG ARG A 63 -3.696 18.301 7.176 1.00 0.00 C ATOM 996 CD ARG A 63 -2.724 19.234 7.884 1.00 0.00 C ATOM 997 NE ARG A 63 -3.400 20.374 8.498 1.00 0.00 N ATOM 998 CZ ARG A 63 -4.210 20.277 9.551 1.00 0.00 C ATOM 999 NH1 ARG A 63 -4.430 19.099 10.123 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -4.794 21.362 10.040 1.00 0.00 N ATOM 0 H ARG A 63 -5.286 20.647 4.518 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.765 18.222 4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.492 20.134 6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.703 18.919 6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.217 17.691 7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.141 17.618 6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.183 18.679 8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.984 19.595 7.170 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.243 21.299 8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.978 18.262 9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.051 19.032 10.929 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.623 22.271 9.610 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.414 21.288 10.846 1.00 0.00 H new ATOM 1014 N ASP A 64 -7.060 18.019 4.783 1.00 0.00 N ATOM 1015 CA ASP A 64 -8.177 17.104 4.586 1.00 0.00 C ATOM 1016 C ASP A 64 -8.152 16.495 3.183 1.00 0.00 C ATOM 1017 O ASP A 64 -8.422 15.306 3.007 1.00 0.00 O ATOM 1018 CB ASP A 64 -9.503 17.832 4.814 1.00 0.00 C ATOM 1019 CG ASP A 64 -9.928 17.816 6.268 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -9.220 18.422 7.099 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -10.968 17.198 6.575 1.00 0.00 O ATOM 0 H ASP A 64 -7.328 18.969 5.039 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.081 16.296 5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.410 18.864 4.477 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.279 17.367 4.206 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.827 17.315 2.189 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.777 16.853 0.803 1.00 0.00 C ATOM 1028 C LYS A 65 -6.514 16.045 0.521 1.00 0.00 C ATOM 1029 O LYS A 65 -6.576 14.967 -0.072 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.861 18.039 -0.160 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.681 17.753 -1.408 1.00 0.00 C ATOM 1032 CD LYS A 65 -7.930 16.856 -2.379 1.00 0.00 C ATOM 1033 CE LYS A 65 -7.323 17.655 -3.523 1.00 0.00 C ATOM 1034 NZ LYS A 65 -7.522 16.982 -4.838 1.00 0.00 N ATOM 0 H LYS A 65 -7.595 18.300 2.315 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.636 16.200 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.296 18.891 0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.853 18.328 -0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.620 17.278 -1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.934 18.692 -1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.141 16.323 -1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.609 16.103 -2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.773 18.647 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.257 17.793 -3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.822 17.338 -5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.403 15.955 -4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.480 17.183 -5.189 1.00 0.00 H new ATOM 1048 N ALA A 66 -5.370 16.565 0.943 1.00 0.00 N ATOM 1049 CA ALA A 66 -4.102 15.876 0.725 1.00 0.00 C ATOM 1050 C ALA A 66 -4.083 14.543 1.458 1.00 0.00 C ATOM 1051 O ALA A 66 -3.575 13.546 0.948 1.00 0.00 O ATOM 1052 CB ALA A 66 -2.934 16.743 1.169 1.00 0.00 C ATOM 0 H ALA A 66 -5.292 17.455 1.435 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.000 15.684 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.999 16.210 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.932 17.671 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.032 16.970 2.230 1.00 0.00 H new ATOM 1058 N LEU A 67 -4.643 14.538 2.662 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.697 13.333 3.476 1.00 0.00 C ATOM 1060 C LEU A 67 -5.653 12.311 2.872 1.00 0.00 C ATOM 1061 O LEU A 67 -5.325 11.129 2.772 1.00 0.00 O ATOM 1062 CB LEU A 67 -5.128 13.673 4.904 1.00 0.00 C ATOM 1063 CG LEU A 67 -4.046 14.321 5.771 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -4.653 14.895 7.042 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.957 13.313 6.106 1.00 0.00 C ATOM 0 H LEU A 67 -5.067 15.358 3.096 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.698 12.898 3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.986 14.344 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.465 12.759 5.393 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.596 15.138 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.869 15.352 7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.396 15.649 6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.130 14.096 7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.196 13.791 6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.392 12.475 6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.502 12.950 5.185 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.838 12.766 2.468 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.823 11.869 1.874 1.00 0.00 C ATOM 1079 C GLN A 68 -7.309 11.311 0.553 1.00 0.00 C ATOM 1080 O GLN A 68 -7.513 10.138 0.240 1.00 0.00 O ATOM 1081 CB GLN A 68 -9.162 12.591 1.672 1.00 0.00 C ATOM 1082 CG GLN A 68 -9.207 13.487 0.442 1.00 0.00 C ATOM 1083 CD GLN A 68 -10.601 14.011 0.152 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -11.335 13.438 -0.653 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -10.971 15.105 0.806 1.00 0.00 N ATOM 0 H GLN A 68 -7.135 13.739 2.540 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.985 11.037 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.955 11.847 1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.374 13.194 2.555 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.529 14.328 0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.845 12.930 -0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.330 15.547 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.897 15.504 0.650 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.635 12.158 -0.215 1.00 0.00 N ATOM 1095 CA GLU A 69 -6.082 11.748 -1.497 1.00 0.00 C ATOM 1096 C GLU A 69 -4.959 10.742 -1.288 1.00 0.00 C ATOM 1097 O GLU A 69 -4.793 9.808 -2.072 1.00 0.00 O ATOM 1098 CB GLU A 69 -5.565 12.961 -2.273 1.00 0.00 C ATOM 1099 CG GLU A 69 -6.565 13.518 -3.274 1.00 0.00 C ATOM 1100 CD GLU A 69 -6.605 12.721 -4.563 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -5.588 12.712 -5.288 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -7.654 12.106 -4.848 1.00 0.00 O ATOM 0 H GLU A 69 -6.459 13.133 0.029 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.874 11.277 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.296 13.746 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.653 12.682 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.558 13.525 -2.824 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.310 14.554 -3.499 1.00 0.00 H new ATOM 1109 N LEU A 70 -4.196 10.935 -0.218 1.00 0.00 N ATOM 1110 CA LEU A 70 -3.097 10.037 0.099 1.00 0.00 C ATOM 1111 C LEU A 70 -3.637 8.672 0.505 1.00 0.00 C ATOM 1112 O LEU A 70 -3.225 7.645 -0.033 1.00 0.00 O ATOM 1113 CB LEU A 70 -2.238 10.619 1.223 1.00 0.00 C ATOM 1114 CG LEU A 70 -0.754 10.252 1.163 1.00 0.00 C ATOM 1115 CD1 LEU A 70 -0.576 8.742 1.205 1.00 0.00 C ATOM 1116 CD2 LEU A 70 -0.112 10.832 -0.088 1.00 0.00 C ATOM 0 H LEU A 70 -4.319 11.703 0.441 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.475 9.922 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.329 11.705 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.641 10.283 2.178 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.257 10.680 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.486 8.499 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.000 8.351 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.086 8.292 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.943 10.561 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.611 10.433 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.208 11.918 -0.076 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.567 8.667 1.458 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.164 7.426 1.932 1.00 0.00 C ATOM 1130 C ARG A 71 -5.873 6.699 0.793 1.00 0.00 C ATOM 1131 O ARG A 71 -5.862 5.469 0.729 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.149 7.712 3.067 1.00 0.00 C ATOM 1133 CG ARG A 71 -5.979 6.791 4.265 1.00 0.00 C ATOM 1134 CD ARG A 71 -6.224 7.525 5.574 1.00 0.00 C ATOM 1135 NE ARG A 71 -7.510 8.221 5.582 1.00 0.00 N ATOM 1136 CZ ARG A 71 -7.663 9.519 5.325 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -6.613 10.278 5.030 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -8.871 10.062 5.359 1.00 0.00 N ATOM 0 H ARG A 71 -4.921 9.508 1.914 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.367 6.784 2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.026 8.745 3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.166 7.617 2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.671 5.953 4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.972 6.374 4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.192 6.814 6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.422 8.244 5.742 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.345 7.677 5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.680 9.868 4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.740 11.271 4.835 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.683 9.486 5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.989 11.056 5.162 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.486 7.465 -0.103 1.00 0.00 N ATOM 1153 CA GLN A 72 -7.196 6.888 -1.236 1.00 0.00 C ATOM 1154 C GLN A 72 -6.226 6.184 -2.177 1.00 0.00 C ATOM 1155 O GLN A 72 -6.436 5.030 -2.552 1.00 0.00 O ATOM 1156 CB GLN A 72 -7.968 7.971 -1.992 1.00 0.00 C ATOM 1157 CG GLN A 72 -8.780 7.437 -3.161 1.00 0.00 C ATOM 1158 CD GLN A 72 -10.186 7.037 -2.759 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -11.156 7.720 -3.087 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -10.303 5.923 -2.045 1.00 0.00 N ATOM 0 H GLN A 72 -6.505 8.484 -0.066 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.905 6.153 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.637 8.480 -1.298 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.264 8.717 -2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.831 8.197 -3.941 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.269 6.575 -3.590 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.472 5.388 -1.795 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.224 5.603 -1.746 1.00 0.00 H new ATOM 1169 N GLU A 73 -5.160 6.882 -2.552 1.00 0.00 N ATOM 1170 CA GLU A 73 -4.156 6.316 -3.442 1.00 0.00 C ATOM 1171 C GLU A 73 -3.498 5.102 -2.795 1.00 0.00 C ATOM 1172 O GLU A 73 -3.135 4.142 -3.474 1.00 0.00 O ATOM 1173 CB GLU A 73 -3.101 7.364 -3.792 1.00 0.00 C ATOM 1174 CG GLU A 73 -3.482 8.231 -4.983 1.00 0.00 C ATOM 1175 CD GLU A 73 -3.664 9.690 -4.609 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -2.723 10.279 -4.038 1.00 0.00 O ATOM 1177 OE2 GLU A 73 -4.749 10.242 -4.888 1.00 0.00 O ATOM 0 H GLU A 73 -4.970 7.839 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.649 5.999 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.933 8.004 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.157 6.862 -4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.710 8.150 -5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.406 7.854 -5.421 1.00 0.00 H new ATOM 1184 N LEU A 74 -3.361 5.149 -1.474 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.759 4.049 -0.731 1.00 0.00 C ATOM 1186 C LEU A 74 -3.697 2.855 -0.707 1.00 0.00 C ATOM 1187 O LEU A 74 -3.296 1.753 -1.046 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.403 4.489 0.690 1.00 0.00 C ATOM 1189 CG LEU A 74 -1.170 5.390 0.787 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -0.901 5.779 2.231 1.00 0.00 C ATOM 1191 CD2 LEU A 74 0.043 4.696 0.184 1.00 0.00 C ATOM 0 H LEU A 74 -3.658 5.936 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.838 3.753 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.256 5.015 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.237 3.601 1.301 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.364 6.301 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.020 6.419 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.762 6.316 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.728 4.881 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.912 5.350 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.238 3.769 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.150 4.471 -0.865 1.00 0.00 H new ATOM 1203 N ASN A 75 -4.949 3.071 -0.324 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.910 1.976 -0.298 1.00 0.00 C ATOM 1205 C ASN A 75 -6.079 1.404 -1.704 1.00 0.00 C ATOM 1206 O ASN A 75 -6.443 0.241 -1.876 1.00 0.00 O ATOM 1207 CB ASN A 75 -7.257 2.451 0.254 1.00 0.00 C ATOM 1208 CG ASN A 75 -7.521 1.937 1.655 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -7.818 0.758 1.850 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -7.413 2.821 2.640 1.00 0.00 N ATOM 0 H ASN A 75 -5.318 3.976 -0.032 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.533 1.193 0.360 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.280 3.541 0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.056 2.118 -0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.579 2.533 3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.164 3.788 2.432 1.00 0.00 H new ATOM 1217 N THR A 76 -5.797 2.235 -2.704 1.00 0.00 N ATOM 1218 CA THR A 76 -5.900 1.826 -4.099 1.00 0.00 C ATOM 1219 C THR A 76 -4.598 1.182 -4.572 1.00 0.00 C ATOM 1220 O THR A 76 -4.592 0.404 -5.527 1.00 0.00 O ATOM 1221 CB THR A 76 -6.246 3.024 -4.983 1.00 0.00 C ATOM 1222 OG1 THR A 76 -7.382 3.703 -4.482 1.00 0.00 O ATOM 1223 CG2 THR A 76 -6.533 2.646 -6.420 1.00 0.00 C ATOM 0 H THR A 76 -5.494 3.200 -2.571 1.00 0.00 H new ATOM 0 HA THR A 76 -6.699 1.089 -4.178 1.00 0.00 H new ATOM 0 HB THR A 76 -5.363 3.662 -4.963 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.095 4.415 -3.873 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.771 3.543 -6.992 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.656 2.163 -6.851 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.379 1.959 -6.454 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.498 1.501 -3.893 1.00 0.00 N ATOM 1232 CA LEU A 77 -2.198 0.940 -4.242 1.00 0.00 C ATOM 1233 C LEU A 77 -1.987 -0.391 -3.527 1.00 0.00 C ATOM 1234 O LEU A 77 -1.444 -1.337 -4.097 1.00 0.00 O ATOM 1235 CB LEU A 77 -1.077 1.914 -3.867 1.00 0.00 C ATOM 1236 CG LEU A 77 -0.748 2.974 -4.922 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.474 3.779 -4.506 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -0.523 2.326 -6.281 1.00 0.00 C ATOM 0 H LEU A 77 -3.482 2.143 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.174 0.773 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.353 2.420 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.174 1.340 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.597 3.653 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.693 4.527 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.277 4.275 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.329 3.112 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.291 3.096 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.308 1.623 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.425 1.794 -6.584 1.00 0.00 H new ATOM 1250 N ALA A 78 -2.434 -0.452 -2.276 1.00 0.00 N ATOM 1251 CA ALA A 78 -2.311 -1.663 -1.471 1.00 0.00 C ATOM 1252 C ALA A 78 -3.425 -2.658 -1.794 1.00 0.00 C ATOM 1253 O ALA A 78 -3.325 -3.841 -1.470 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.326 -1.314 0.009 1.00 0.00 C ATOM 0 H ALA A 78 -2.886 0.326 -1.796 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.359 -2.135 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.234 -2.226 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.492 -0.650 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.263 -0.816 0.256 1.00 0.00 H new ATOM 1260 N ASN A 79 -4.494 -2.168 -2.418 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.632 -3.015 -2.761 1.00 0.00 C ATOM 1262 C ASN A 79 -5.206 -4.163 -3.676 1.00 0.00 C ATOM 1263 O ASN A 79 -5.434 -5.330 -3.357 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.725 -2.188 -3.442 1.00 0.00 C ATOM 1265 CG ASN A 79 -8.021 -2.180 -2.654 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -9.083 -2.510 -3.182 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -7.939 -1.804 -1.383 1.00 0.00 N ATOM 0 H ASN A 79 -4.595 -1.192 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.026 -3.438 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.375 -1.164 -3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.912 -2.588 -4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.778 -1.781 -0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.037 -1.539 -0.987 1.00 0.00 H new ATOM 1274 N PRO A 80 -4.582 -3.857 -4.826 1.00 0.00 N ATOM 1275 CA PRO A 80 -4.135 -4.887 -5.768 1.00 0.00 C ATOM 1276 C PRO A 80 -2.982 -5.723 -5.216 1.00 0.00 C ATOM 1277 O PRO A 80 -2.824 -6.891 -5.573 1.00 0.00 O ATOM 1278 CB PRO A 80 -3.681 -4.086 -6.990 1.00 0.00 C ATOM 1279 CG PRO A 80 -3.338 -2.737 -6.459 1.00 0.00 C ATOM 1280 CD PRO A 80 -4.263 -2.496 -5.299 1.00 0.00 C ATOM 0 HA PRO A 80 -4.925 -5.606 -5.985 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.821 -4.552 -7.470 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.471 -4.027 -7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.296 -2.697 -6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.467 -1.973 -7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.784 -1.902 -4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.159 -1.957 -5.605 1.00 0.00 H new ATOM 1288 N PHE A 81 -2.174 -5.116 -4.350 1.00 0.00 N ATOM 1289 CA PHE A 81 -1.032 -5.805 -3.761 1.00 0.00 C ATOM 1290 C PHE A 81 -1.471 -6.818 -2.705 1.00 0.00 C ATOM 1291 O PHE A 81 -1.014 -7.961 -2.704 1.00 0.00 O ATOM 1292 CB PHE A 81 -0.061 -4.796 -3.136 1.00 0.00 C ATOM 1293 CG PHE A 81 1.052 -5.442 -2.357 1.00 0.00 C ATOM 1294 CD1 PHE A 81 1.669 -6.588 -2.832 1.00 0.00 C ATOM 1295 CD2 PHE A 81 1.472 -4.911 -1.147 1.00 0.00 C ATOM 1296 CE1 PHE A 81 2.685 -7.191 -2.118 1.00 0.00 C ATOM 1297 CE2 PHE A 81 2.487 -5.513 -0.428 1.00 0.00 C ATOM 1298 CZ PHE A 81 3.093 -6.653 -0.914 1.00 0.00 C ATOM 0 H PHE A 81 -2.290 -4.151 -4.042 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.527 -6.344 -4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.368 -4.179 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.616 -4.129 -2.477 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.351 -7.015 -3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.001 -4.018 -0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.160 -8.082 -2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.806 -5.091 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.886 -7.124 -0.353 1.00 0.00 H new ATOM 1308 N LEU A 82 -2.343 -6.389 -1.800 1.00 0.00 N ATOM 1309 CA LEU A 82 -2.820 -7.264 -0.735 1.00 0.00 C ATOM 1310 C LEU A 82 -3.603 -8.444 -1.292 1.00 0.00 C ATOM 1311 O LEU A 82 -3.468 -9.567 -0.806 1.00 0.00 O ATOM 1312 CB LEU A 82 -3.672 -6.484 0.262 1.00 0.00 C ATOM 1313 CG LEU A 82 -3.268 -6.667 1.725 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -3.627 -8.064 2.207 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -1.781 -6.402 1.907 1.00 0.00 C ATOM 0 H LEU A 82 -2.732 -5.446 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.946 -7.657 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.619 -5.424 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.713 -6.787 0.146 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.820 -5.945 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.332 -8.176 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.703 -8.215 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.104 -8.804 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.513 -6.537 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.210 -7.098 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.554 -5.380 1.603 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.414 -8.197 -2.312 1.00 0.00 N ATOM 1328 CA ALA A 83 -5.198 -9.261 -2.918 1.00 0.00 C ATOM 1329 C ALA A 83 -4.294 -10.208 -3.691 1.00 0.00 C ATOM 1330 O ALA A 83 -4.398 -11.431 -3.573 1.00 0.00 O ATOM 1331 CB ALA A 83 -6.270 -8.681 -3.829 1.00 0.00 C ATOM 0 H ALA A 83 -4.545 -7.277 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.691 -9.824 -2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.847 -9.492 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.933 -8.040 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.799 -8.095 -4.618 1.00 0.00 H new ATOM 1337 N LYS A 84 -3.397 -9.629 -4.477 1.00 0.00 N ATOM 1338 CA LYS A 84 -2.463 -10.411 -5.270 1.00 0.00 C ATOM 1339 C LYS A 84 -1.569 -11.261 -4.374 1.00 0.00 C ATOM 1340 O LYS A 84 -1.258 -12.408 -4.704 1.00 0.00 O ATOM 1341 CB LYS A 84 -1.604 -9.493 -6.141 1.00 0.00 C ATOM 1342 CG LYS A 84 -0.645 -10.244 -7.051 1.00 0.00 C ATOM 1343 CD LYS A 84 0.035 -9.310 -8.037 1.00 0.00 C ATOM 1344 CE LYS A 84 1.425 -8.916 -7.564 1.00 0.00 C ATOM 1345 NZ LYS A 84 1.444 -7.547 -6.977 1.00 0.00 N ATOM 0 H LYS A 84 -3.297 -8.619 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.040 -11.074 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.257 -8.868 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.033 -8.824 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.109 -10.750 -6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.188 -11.016 -7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.105 -9.795 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.572 -8.415 -8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.773 -9.634 -6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.120 -8.961 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.409 -7.316 -6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.136 -6.858 -7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.800 -7.510 -6.161 1.00 0.00 H new ATOM 1359 N TYR A 85 -1.150 -10.701 -3.241 1.00 0.00 N ATOM 1360 CA TYR A 85 -0.288 -11.435 -2.327 1.00 0.00 C ATOM 1361 C TYR A 85 -1.054 -12.530 -1.603 1.00 0.00 C ATOM 1362 O TYR A 85 -0.567 -13.653 -1.479 1.00 0.00 O ATOM 1363 CB TYR A 85 0.380 -10.500 -1.321 1.00 0.00 C ATOM 1364 CG TYR A 85 1.712 -11.026 -0.843 1.00 0.00 C ATOM 1365 CD1 TYR A 85 2.878 -10.732 -1.535 1.00 0.00 C ATOM 1366 CD2 TYR A 85 1.803 -11.835 0.285 1.00 0.00 C ATOM 1367 CE1 TYR A 85 4.098 -11.224 -1.118 1.00 0.00 C ATOM 1368 CE2 TYR A 85 3.021 -12.330 0.712 1.00 0.00 C ATOM 1369 CZ TYR A 85 4.165 -12.021 0.003 1.00 0.00 C ATOM 1370 OH TYR A 85 5.382 -12.508 0.415 1.00 0.00 O ATOM 0 H TYR A 85 -1.390 -9.757 -2.940 1.00 0.00 H new ATOM 0 HA TYR A 85 0.492 -11.904 -2.927 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.522 -9.521 -1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.280 -10.360 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.830 -10.108 -2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.907 -12.080 0.836 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.996 -10.985 -1.668 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.077 -12.953 1.592 1.00 0.00 H new ATOM 0 HH TYR A 85 5.697 -13.182 -0.222 1.00 0.00 H new ATOM 1380 N ARG A 86 -2.257 -12.216 -1.138 1.00 0.00 N ATOM 1381 CA ARG A 86 -3.066 -13.213 -0.447 1.00 0.00 C ATOM 1382 C ARG A 86 -3.326 -14.390 -1.377 1.00 0.00 C ATOM 1383 O ARG A 86 -3.423 -15.537 -0.940 1.00 0.00 O ATOM 1384 CB ARG A 86 -4.381 -12.607 0.057 1.00 0.00 C ATOM 1385 CG ARG A 86 -5.412 -12.340 -1.031 1.00 0.00 C ATOM 1386 CD ARG A 86 -6.769 -12.922 -0.668 1.00 0.00 C ATOM 1387 NE ARG A 86 -7.863 -12.184 -1.292 1.00 0.00 N ATOM 1388 CZ ARG A 86 -8.166 -10.921 -1.003 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -7.460 -10.252 -0.100 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -9.176 -10.323 -1.620 1.00 0.00 N ATOM 0 H ARG A 86 -2.688 -11.296 -1.224 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.519 -13.567 0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.817 -13.280 0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.162 -11.670 0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.506 -11.266 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.070 -12.771 -1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.811 -13.966 -0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.892 -12.907 0.415 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.429 -12.665 -1.991 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.681 -10.706 0.376 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.697 -9.284 0.118 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.721 -10.831 -2.316 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.408 -9.355 -1.398 1.00 0.00 H new ATOM 1404 N ASP A 87 -3.411 -14.094 -2.671 1.00 0.00 N ATOM 1405 CA ASP A 87 -3.628 -15.121 -3.678 1.00 0.00 C ATOM 1406 C ASP A 87 -2.340 -15.904 -3.912 1.00 0.00 C ATOM 1407 O ASP A 87 -2.367 -17.109 -4.140 1.00 0.00 O ATOM 1408 CB ASP A 87 -4.107 -14.492 -4.988 1.00 0.00 C ATOM 1409 CG ASP A 87 -5.607 -14.272 -5.010 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -6.108 -13.511 -4.156 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -6.280 -14.859 -5.883 1.00 0.00 O ATOM 0 H ASP A 87 -3.332 -13.148 -3.045 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.398 -15.804 -3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.601 -13.538 -5.136 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.825 -15.136 -5.821 1.00 0.00 H new ATOM 1416 N PHE A 88 -1.210 -15.207 -3.826 1.00 0.00 N ATOM 1417 CA PHE A 88 0.099 -15.833 -4.004 1.00 0.00 C ATOM 1418 C PHE A 88 0.381 -16.835 -2.883 1.00 0.00 C ATOM 1419 O PHE A 88 0.910 -17.920 -3.119 1.00 0.00 O ATOM 1420 CB PHE A 88 1.190 -14.743 -4.057 1.00 0.00 C ATOM 1421 CG PHE A 88 2.411 -15.027 -3.217 1.00 0.00 C ATOM 1422 CD1 PHE A 88 2.354 -14.870 -1.839 1.00 0.00 C ATOM 1423 CD2 PHE A 88 3.607 -15.443 -3.789 1.00 0.00 C ATOM 1424 CE1 PHE A 88 3.457 -15.124 -1.051 1.00 0.00 C ATOM 1425 CE2 PHE A 88 4.709 -15.697 -2.999 1.00 0.00 C ATOM 1426 CZ PHE A 88 4.633 -15.538 -1.630 1.00 0.00 C ATOM 0 H PHE A 88 -1.174 -14.206 -3.634 1.00 0.00 H new ATOM 0 HA PHE A 88 0.104 -16.383 -4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.502 -14.611 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.755 -13.798 -3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.433 -14.545 -1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.674 -15.568 -4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.397 -14.998 0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.634 -16.021 -3.453 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.497 -15.739 -1.014 1.00 0.00 H new ATOM 1436 N LEU A 89 0.037 -16.451 -1.662 1.00 0.00 N ATOM 1437 CA LEU A 89 0.255 -17.294 -0.495 1.00 0.00 C ATOM 1438 C LEU A 89 -0.745 -18.446 -0.433 1.00 0.00 C ATOM 1439 O LEU A 89 -0.392 -19.567 -0.069 1.00 0.00 O ATOM 1440 CB LEU A 89 0.165 -16.441 0.779 1.00 0.00 C ATOM 1441 CG LEU A 89 1.213 -16.713 1.874 1.00 0.00 C ATOM 1442 CD1 LEU A 89 2.454 -17.404 1.324 1.00 0.00 C ATOM 1443 CD2 LEU A 89 1.603 -15.412 2.557 1.00 0.00 C ATOM 0 H LEU A 89 -0.398 -15.553 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 89 1.250 -17.732 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.239 -15.392 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.825 -16.583 1.213 1.00 0.00 H new ATOM 0 HG LEU A 89 0.758 -17.387 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.164 -17.575 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.172 -18.359 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.915 -16.773 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.344 -15.615 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.024 -14.727 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.721 -14.960 3.010 1.00 0.00 H new ATOM 1455 N LYS A 90 -1.995 -18.163 -0.789 1.00 0.00 N ATOM 1456 CA LYS A 90 -3.046 -19.176 -0.771 1.00 0.00 C ATOM 1457 C LYS A 90 -3.158 -19.912 -2.108 1.00 0.00 C ATOM 1458 O LYS A 90 -3.981 -20.816 -2.253 1.00 0.00 O ATOM 1459 CB LYS A 90 -4.390 -18.529 -0.420 1.00 0.00 C ATOM 1460 CG LYS A 90 -5.082 -19.174 0.770 1.00 0.00 C ATOM 1461 CD LYS A 90 -4.971 -18.309 2.016 1.00 0.00 C ATOM 1462 CE LYS A 90 -5.792 -18.875 3.165 1.00 0.00 C ATOM 1463 NZ LYS A 90 -7.037 -18.091 3.401 1.00 0.00 N ATOM 0 H LYS A 90 -2.305 -17.240 -1.094 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.780 -19.911 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.231 -17.472 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.048 -18.585 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.133 -19.341 0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.640 -20.151 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.926 -18.235 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.310 -17.298 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.052 -19.911 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.189 -18.880 4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.567 -18.510 4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.789 -17.108 3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.625 -18.107 2.543 1.00 0.00 H new ATOM 1477 N SER A 91 -2.349 -19.517 -3.090 1.00 0.00 N ATOM 1478 CA SER A 91 -2.396 -20.141 -4.409 1.00 0.00 C ATOM 1479 C SER A 91 -1.819 -21.553 -4.407 1.00 0.00 C ATOM 1480 O SER A 91 -1.802 -22.211 -5.447 1.00 0.00 O ATOM 1481 CB SER A 91 -1.654 -19.291 -5.440 1.00 0.00 C ATOM 1482 OG SER A 91 -0.537 -18.642 -4.862 1.00 0.00 O ATOM 0 H SER A 91 -1.658 -18.773 -2.997 1.00 0.00 H new ATOM 0 HA SER A 91 -3.450 -20.209 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.324 -19.922 -6.265 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.333 -18.548 -5.859 1.00 0.00 H new ATOM 0 HG SER A 91 -0.169 -19.200 -4.145 1.00 0.00 H new