USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 720 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 17:sc= 0.531 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00626) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0571 X(o=-0.057,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0904 K(o=-0.09,f=-1.8!) USER MOD Single : A 34 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0062) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -4:sc= 0.332 USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= -0.0106 (180deg=-0.129) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 179:sc= -1.07 (180deg=-1.1) USER MOD Single : A 53 HIS : no HD1:sc= -3.15! K(o=-3.1!,f=-1.8) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HE2:sc= -3.74 K(o=-3.7,f=-5!) USER MOD Single : A 61 TYR OH : rot 141:sc= -0.0442 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 150:sc= -0.676 USER MOD Single : A 70 ASN : amide:sc= -1.04! C(o=-1!,f=-1.1!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.683 -4.235 22.329 1.00 0.00 N ATOM 2 CA GLY A 1 -5.886 -3.449 21.405 1.00 0.00 C ATOM 3 C GLY A 1 -6.606 -2.202 20.932 1.00 0.00 C ATOM 4 O GLY A 1 -7.765 -2.265 20.521 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.146 -5.076 22.622 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.911 -3.661 23.166 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.564 -4.532 21.862 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.952 -3.164 21.888 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.625 -4.063 20.543 1.00 0.00 H new ATOM 8 N SER A 2 -5.920 -1.066 20.991 1.00 0.00 N ATOM 9 CA SER A 2 -6.504 0.203 20.570 1.00 0.00 C ATOM 10 C SER A 2 -5.421 1.258 20.365 1.00 0.00 C ATOM 11 O SER A 2 -4.483 1.363 21.155 1.00 0.00 O ATOM 12 CB SER A 2 -7.517 0.691 21.607 1.00 0.00 C ATOM 13 OG SER A 2 -6.929 0.779 22.893 1.00 0.00 O ATOM 0 H SER A 2 -4.959 -0.997 21.326 1.00 0.00 H new ATOM 0 HA SER A 2 -7.015 0.042 19.621 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.902 1.667 21.312 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.367 0.009 21.638 1.00 0.00 H new ATOM 0 HG SER A 2 -7.597 1.095 23.537 1.00 0.00 H new ATOM 19 N SER A 3 -5.558 2.037 19.297 1.00 0.00 N ATOM 20 CA SER A 3 -4.591 3.082 18.984 1.00 0.00 C ATOM 21 C SER A 3 -5.260 4.453 18.961 1.00 0.00 C ATOM 22 O SER A 3 -6.441 4.574 18.640 1.00 0.00 O ATOM 23 CB SER A 3 -3.926 2.804 17.634 1.00 0.00 C ATOM 24 OG SER A 3 -3.281 1.542 17.634 1.00 0.00 O ATOM 0 H SER A 3 -6.330 1.964 18.634 1.00 0.00 H new ATOM 0 HA SER A 3 -3.829 3.082 19.763 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.675 2.833 16.843 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.200 3.587 17.414 1.00 0.00 H new ATOM 0 HG SER A 3 -2.865 1.387 16.760 1.00 0.00 H new ATOM 30 N GLY A 4 -4.494 5.485 19.304 1.00 0.00 N ATOM 31 CA GLY A 4 -5.029 6.834 19.316 1.00 0.00 C ATOM 32 C GLY A 4 -3.946 7.885 19.456 1.00 0.00 C ATOM 33 O GLY A 4 -3.645 8.333 20.562 1.00 0.00 O ATOM 0 H GLY A 4 -3.513 5.411 19.574 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.585 7.010 18.395 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.737 6.934 20.139 1.00 0.00 H new ATOM 37 N SER A 5 -3.357 8.279 18.331 1.00 0.00 N ATOM 38 CA SER A 5 -2.297 9.281 18.333 1.00 0.00 C ATOM 39 C SER A 5 -2.595 10.389 17.327 1.00 0.00 C ATOM 40 O SER A 5 -2.791 10.128 16.140 1.00 0.00 O ATOM 41 CB SER A 5 -0.951 8.630 18.008 1.00 0.00 C ATOM 42 OG SER A 5 -0.876 8.270 16.640 1.00 0.00 O ATOM 0 H SER A 5 -3.596 7.920 17.407 1.00 0.00 H new ATOM 0 HA SER A 5 -2.249 9.722 19.329 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.142 9.319 18.251 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.812 7.745 18.628 1.00 0.00 H new ATOM 0 HG SER A 5 -1.575 8.740 16.139 1.00 0.00 H new ATOM 48 N SER A 6 -2.627 11.626 17.812 1.00 0.00 N ATOM 49 CA SER A 6 -2.905 12.775 16.957 1.00 0.00 C ATOM 50 C SER A 6 -1.690 13.693 16.870 1.00 0.00 C ATOM 51 O SER A 6 -1.175 14.159 17.886 1.00 0.00 O ATOM 52 CB SER A 6 -4.110 13.553 17.489 1.00 0.00 C ATOM 53 OG SER A 6 -5.323 12.893 17.172 1.00 0.00 O ATOM 0 H SER A 6 -2.464 11.859 18.792 1.00 0.00 H new ATOM 0 HA SER A 6 -3.133 12.407 15.957 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.026 13.666 18.570 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.116 14.556 17.063 1.00 0.00 H new ATOM 0 HG SER A 6 -6.078 13.409 17.524 1.00 0.00 H new ATOM 59 N GLY A 7 -1.236 13.950 15.647 1.00 0.00 N ATOM 60 CA GLY A 7 -0.085 14.811 15.449 1.00 0.00 C ATOM 61 C GLY A 7 0.588 14.581 14.110 1.00 0.00 C ATOM 62 O GLY A 7 0.251 15.229 13.119 1.00 0.00 O ATOM 0 H GLY A 7 -1.645 13.577 14.790 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.398 15.853 15.521 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.635 14.639 16.249 1.00 0.00 H new ATOM 66 N MET A 8 1.542 13.656 14.080 1.00 0.00 N ATOM 67 CA MET A 8 2.264 13.343 12.853 1.00 0.00 C ATOM 68 C MET A 8 1.475 12.359 11.994 1.00 0.00 C ATOM 69 O MET A 8 2.035 11.405 11.454 1.00 0.00 O ATOM 70 CB MET A 8 3.641 12.762 13.180 1.00 0.00 C ATOM 71 CG MET A 8 4.731 13.815 13.301 1.00 0.00 C ATOM 72 SD MET A 8 6.331 13.110 13.741 1.00 0.00 S ATOM 73 CE MET A 8 6.582 13.825 15.364 1.00 0.00 C ATOM 0 H MET A 8 1.833 13.110 14.891 1.00 0.00 H new ATOM 0 HA MET A 8 2.392 14.268 12.291 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.579 12.206 14.115 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.920 12.050 12.403 1.00 0.00 H new ATOM 0 HG2 MET A 8 4.821 14.349 12.355 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.441 14.547 14.054 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.534 13.482 15.769 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.592 14.912 15.285 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.773 13.517 16.026 1.00 0.00 H new ATOM 83 N SER A 9 0.173 12.598 11.873 1.00 0.00 N ATOM 84 CA SER A 9 -0.693 11.730 11.084 1.00 0.00 C ATOM 85 C SER A 9 -0.156 11.572 9.665 1.00 0.00 C ATOM 86 O SER A 9 -0.089 10.464 9.133 1.00 0.00 O ATOM 87 CB SER A 9 -2.115 12.293 11.044 1.00 0.00 C ATOM 88 OG SER A 9 -2.760 12.138 12.295 1.00 0.00 O ATOM 0 H SER A 9 -0.305 13.385 12.311 1.00 0.00 H new ATOM 0 HA SER A 9 -0.712 10.749 11.558 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.084 13.349 10.776 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.689 11.784 10.270 1.00 0.00 H new ATOM 0 HG SER A 9 -3.666 12.507 12.244 1.00 0.00 H new ATOM 94 N LYS A 10 0.227 12.690 9.056 1.00 0.00 N ATOM 95 CA LYS A 10 0.760 12.678 7.699 1.00 0.00 C ATOM 96 C LYS A 10 1.712 11.504 7.498 1.00 0.00 C ATOM 97 O LYS A 10 1.395 10.547 6.791 1.00 0.00 O ATOM 98 CB LYS A 10 1.486 13.993 7.403 1.00 0.00 C ATOM 99 CG LYS A 10 0.596 15.218 7.520 1.00 0.00 C ATOM 100 CD LYS A 10 -0.434 15.267 6.404 1.00 0.00 C ATOM 101 CE LYS A 10 -1.680 16.030 6.828 1.00 0.00 C ATOM 102 NZ LYS A 10 -2.559 15.210 7.707 1.00 0.00 N ATOM 0 H LYS A 10 0.178 13.616 9.481 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.076 12.567 7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.326 14.097 8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.901 13.951 6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.089 15.209 8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.209 16.119 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.003 15.741 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.708 14.252 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.388 16.940 7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.237 16.338 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.429 15.739 7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.803 14.322 7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.060 14.995 8.594 1.00 0.00 H new ATOM 116 N LYS A 11 2.881 11.581 8.125 1.00 0.00 N ATOM 117 CA LYS A 11 3.879 10.524 8.018 1.00 0.00 C ATOM 118 C LYS A 11 3.329 9.201 8.542 1.00 0.00 C ATOM 119 O LYS A 11 2.356 9.161 9.295 1.00 0.00 O ATOM 120 CB LYS A 11 5.142 10.906 8.794 1.00 0.00 C ATOM 121 CG LYS A 11 6.131 11.723 7.982 1.00 0.00 C ATOM 122 CD LYS A 11 7.375 12.056 8.789 1.00 0.00 C ATOM 123 CE LYS A 11 8.548 12.405 7.886 1.00 0.00 C ATOM 124 NZ LYS A 11 9.273 11.189 7.424 1.00 0.00 N ATOM 0 H LYS A 11 3.161 12.366 8.713 1.00 0.00 H new ATOM 0 HA LYS A 11 4.130 10.401 6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.856 11.473 9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.633 9.997 9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.414 11.169 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.655 12.645 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.165 12.893 9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.639 11.207 9.419 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.188 12.963 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.237 13.057 8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.065 11.469 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.639 10.669 8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.622 10.578 6.891 1.00 0.00 H new ATOM 138 N PRO A 12 3.965 8.092 8.136 1.00 0.00 N ATOM 139 CA PRO A 12 3.557 6.748 8.554 1.00 0.00 C ATOM 140 C PRO A 12 3.841 6.488 10.029 1.00 0.00 C ATOM 141 O PRO A 12 4.991 6.423 10.463 1.00 0.00 O ATOM 142 CB PRO A 12 4.411 5.829 7.676 1.00 0.00 C ATOM 143 CG PRO A 12 5.610 6.643 7.330 1.00 0.00 C ATOM 144 CD PRO A 12 5.132 8.066 7.238 1.00 0.00 C ATOM 0 HA PRO A 12 2.484 6.594 8.440 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.690 4.920 8.209 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.870 5.521 6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.384 6.540 8.090 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.045 6.316 6.386 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.901 8.770 7.557 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.860 8.333 6.217 1.00 0.00 H new ATOM 152 N PRO A 13 2.768 6.337 10.821 1.00 0.00 N ATOM 153 CA PRO A 13 2.877 6.081 12.260 1.00 0.00 C ATOM 154 C PRO A 13 3.419 4.688 12.562 1.00 0.00 C ATOM 155 O PRO A 13 3.448 3.821 11.691 1.00 0.00 O ATOM 156 CB PRO A 13 1.433 6.211 12.753 1.00 0.00 C ATOM 157 CG PRO A 13 0.596 5.901 11.561 1.00 0.00 C ATOM 158 CD PRO A 13 1.368 6.402 10.372 1.00 0.00 C ATOM 0 HA PRO A 13 3.572 6.767 12.745 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.230 5.519 13.570 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.232 7.214 13.128 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.410 4.830 11.483 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.376 6.389 11.629 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.199 5.781 9.493 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.079 7.418 10.105 1.00 0.00 H new ATOM 166 N ASN A 14 3.848 4.481 13.803 1.00 0.00 N ATOM 167 CA ASN A 14 4.390 3.193 14.220 1.00 0.00 C ATOM 168 C ASN A 14 3.462 2.054 13.808 1.00 0.00 C ATOM 169 O ASN A 14 2.457 1.789 14.468 1.00 0.00 O ATOM 170 CB ASN A 14 4.601 3.171 15.735 1.00 0.00 C ATOM 171 CG ASN A 14 4.931 1.784 16.253 1.00 0.00 C ATOM 172 OD1 ASN A 14 6.063 1.316 16.127 1.00 0.00 O ATOM 173 ND2 ASN A 14 3.942 1.121 16.840 1.00 0.00 N ATOM 0 H ASN A 14 3.831 5.189 14.537 1.00 0.00 H new ATOM 0 HA ASN A 14 5.351 3.053 13.724 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.408 3.855 15.997 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.701 3.536 16.230 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.105 0.184 17.209 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.020 1.549 16.922 1.00 0.00 H new ATOM 180 N ARG A 15 3.807 1.383 12.714 1.00 0.00 N ATOM 181 CA ARG A 15 3.006 0.273 12.214 1.00 0.00 C ATOM 182 C ARG A 15 3.897 -0.869 11.735 1.00 0.00 C ATOM 183 O ARG A 15 4.514 -0.804 10.672 1.00 0.00 O ATOM 184 CB ARG A 15 2.102 0.742 11.072 1.00 0.00 C ATOM 185 CG ARG A 15 0.863 1.486 11.542 1.00 0.00 C ATOM 186 CD ARG A 15 -0.283 1.339 10.554 1.00 0.00 C ATOM 187 NE ARG A 15 -0.858 -0.004 10.579 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.539 -0.493 11.609 1.00 0.00 C ATOM 189 NH1 ARG A 15 -1.730 0.247 12.693 1.00 0.00 N ATOM 190 NH2 ARG A 15 -2.032 -1.724 11.556 1.00 0.00 N ATOM 0 H ARG A 15 4.636 1.589 12.157 1.00 0.00 H new ATOM 0 HA ARG A 15 2.386 -0.092 13.033 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.675 1.390 10.409 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.795 -0.123 10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.556 1.105 12.516 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.099 2.542 11.673 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.058 2.070 10.786 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.074 1.562 9.549 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.729 -0.599 9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.354 1.194 12.737 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.253 -0.131 13.483 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.888 -2.296 10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.555 -2.099 12.348 1.00 0.00 H new ATOM 204 N PRO A 16 3.968 -1.942 12.538 1.00 0.00 N ATOM 205 CA PRO A 16 4.781 -3.118 12.217 1.00 0.00 C ATOM 206 C PRO A 16 4.216 -3.912 11.044 1.00 0.00 C ATOM 207 O PRO A 16 3.553 -4.931 11.234 1.00 0.00 O ATOM 208 CB PRO A 16 4.726 -3.949 13.501 1.00 0.00 C ATOM 209 CG PRO A 16 3.455 -3.539 14.163 1.00 0.00 C ATOM 210 CD PRO A 16 3.260 -2.088 13.820 1.00 0.00 C ATOM 0 HA PRO A 16 5.791 -2.844 11.913 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.732 -5.017 13.282 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.587 -3.750 14.139 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.618 -4.140 13.808 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.514 -3.681 15.242 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.204 -1.836 13.727 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.677 -1.434 14.586 1.00 0.00 H new ATOM 218 N GLY A 17 4.482 -3.437 9.831 1.00 0.00 N ATOM 219 CA GLY A 17 3.991 -4.115 8.645 1.00 0.00 C ATOM 220 C GLY A 17 3.891 -3.191 7.448 1.00 0.00 C ATOM 221 O GLY A 17 4.694 -3.277 6.520 1.00 0.00 O ATOM 0 H GLY A 17 5.028 -2.595 9.648 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.655 -4.946 8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.010 -4.541 8.854 1.00 0.00 H new ATOM 225 N ILE A 18 2.901 -2.304 7.469 1.00 0.00 N ATOM 226 CA ILE A 18 2.698 -1.361 6.377 1.00 0.00 C ATOM 227 C ILE A 18 3.694 -0.209 6.454 1.00 0.00 C ATOM 228 O ILE A 18 4.070 0.231 7.541 1.00 0.00 O ATOM 229 CB ILE A 18 1.268 -0.789 6.385 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.249 -1.911 6.594 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.988 -0.046 5.087 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.184 -1.426 6.630 1.00 0.00 C ATOM 0 H ILE A 18 2.228 -2.219 8.230 1.00 0.00 H new ATOM 0 HA ILE A 18 2.854 -1.913 5.450 1.00 0.00 H new ATOM 0 HB ILE A 18 1.178 -0.083 7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.357 -2.643 5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.474 -2.426 7.528 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.026 0.353 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.698 0.774 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.092 -0.731 4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.852 -2.274 6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.308 -0.717 7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.426 -0.937 5.686 1.00 0.00 H new ATOM 244 N THR A 19 4.118 0.279 5.292 1.00 0.00 N ATOM 245 CA THR A 19 5.070 1.381 5.227 1.00 0.00 C ATOM 246 C THR A 19 4.793 2.276 4.025 1.00 0.00 C ATOM 247 O THR A 19 5.046 1.895 2.882 1.00 0.00 O ATOM 248 CB THR A 19 6.520 0.866 5.146 1.00 0.00 C ATOM 249 OG1 THR A 19 6.859 0.166 6.348 1.00 0.00 O ATOM 250 CG2 THR A 19 7.491 2.018 4.933 1.00 0.00 C ATOM 0 H THR A 19 3.817 -0.072 4.383 1.00 0.00 H new ATOM 0 HA THR A 19 4.948 1.959 6.143 1.00 0.00 H new ATOM 0 HB THR A 19 6.595 0.186 4.297 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.781 -0.159 6.288 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.509 1.631 4.879 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.248 2.531 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.413 2.718 5.765 1.00 0.00 H new ATOM 258 N PHE A 20 4.272 3.470 4.290 1.00 0.00 N ATOM 259 CA PHE A 20 3.960 4.421 3.229 1.00 0.00 C ATOM 260 C PHE A 20 5.235 4.928 2.562 1.00 0.00 C ATOM 261 O PHE A 20 5.950 5.761 3.118 1.00 0.00 O ATOM 262 CB PHE A 20 3.161 5.599 3.790 1.00 0.00 C ATOM 263 CG PHE A 20 2.009 5.182 4.658 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.230 4.087 4.320 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.705 5.885 5.813 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.168 3.702 5.118 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.645 5.504 6.615 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.123 4.411 6.267 1.00 0.00 C ATOM 0 H PHE A 20 4.057 3.802 5.230 1.00 0.00 H new ATOM 0 HA PHE A 20 3.358 3.907 2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.828 6.238 4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.783 6.199 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.455 3.528 3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.303 6.741 6.090 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.433 2.848 4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.418 6.061 7.512 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.951 4.111 6.893 1.00 0.00 H new ATOM 278 N GLU A 21 5.513 4.419 1.365 1.00 0.00 N ATOM 279 CA GLU A 21 6.702 4.820 0.623 1.00 0.00 C ATOM 280 C GLU A 21 6.434 4.811 -0.880 1.00 0.00 C ATOM 281 O GLU A 21 5.330 4.490 -1.322 1.00 0.00 O ATOM 282 CB GLU A 21 7.872 3.888 0.948 1.00 0.00 C ATOM 283 CG GLU A 21 8.670 4.317 2.168 1.00 0.00 C ATOM 284 CD GLU A 21 10.055 3.703 2.204 1.00 0.00 C ATOM 285 OE1 GLU A 21 10.958 4.233 1.524 1.00 0.00 O ATOM 286 OE2 GLU A 21 10.237 2.691 2.914 1.00 0.00 O ATOM 0 H GLU A 21 4.931 3.729 0.890 1.00 0.00 H new ATOM 0 HA GLU A 21 6.961 5.835 0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.489 2.881 1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.538 3.841 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.758 5.403 2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.128 4.034 3.070 1.00 0.00 H new ATOM 293 N ILE A 22 7.450 5.166 -1.658 1.00 0.00 N ATOM 294 CA ILE A 22 7.325 5.199 -3.110 1.00 0.00 C ATOM 295 C ILE A 22 7.725 3.863 -3.726 1.00 0.00 C ATOM 296 O ILE A 22 8.900 3.498 -3.734 1.00 0.00 O ATOM 297 CB ILE A 22 8.190 6.315 -3.724 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.693 7.687 -3.265 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.176 6.221 -5.243 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.199 7.871 -3.417 1.00 0.00 C ATOM 0 H ILE A 22 8.369 5.435 -1.308 1.00 0.00 H new ATOM 0 HA ILE A 22 6.277 5.400 -3.333 1.00 0.00 H new ATOM 0 HB ILE A 22 9.217 6.189 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.964 7.831 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.206 8.460 -3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.792 7.017 -5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.573 5.254 -5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.153 6.325 -5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.918 8.866 -3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.923 7.759 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.678 7.121 -2.823 1.00 0.00 H new ATOM 312 N GLY A 23 6.739 3.138 -4.245 1.00 0.00 N ATOM 313 CA GLY A 23 7.008 1.851 -4.859 1.00 0.00 C ATOM 314 C GLY A 23 6.720 0.692 -3.926 1.00 0.00 C ATOM 315 O GLY A 23 6.837 -0.470 -4.314 1.00 0.00 O ATOM 0 H GLY A 23 5.759 3.419 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.402 1.748 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.052 1.812 -5.171 1.00 0.00 H new ATOM 319 N ALA A 24 6.343 1.008 -2.691 1.00 0.00 N ATOM 320 CA ALA A 24 6.038 -0.016 -1.700 1.00 0.00 C ATOM 321 C ALA A 24 4.849 -0.865 -2.137 1.00 0.00 C ATOM 322 O ALA A 24 3.851 -0.344 -2.635 1.00 0.00 O ATOM 323 CB ALA A 24 5.763 0.624 -0.347 1.00 0.00 C ATOM 0 H ALA A 24 6.242 1.965 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 24 6.905 -0.670 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.537 -0.153 0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.642 1.182 -0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.913 1.302 -0.431 1.00 0.00 H new ATOM 329 N ARG A 25 4.962 -2.176 -1.947 1.00 0.00 N ATOM 330 CA ARG A 25 3.897 -3.098 -2.323 1.00 0.00 C ATOM 331 C ARG A 25 3.042 -3.463 -1.114 1.00 0.00 C ATOM 332 O ARG A 25 3.546 -3.987 -0.119 1.00 0.00 O ATOM 333 CB ARG A 25 4.486 -4.364 -2.947 1.00 0.00 C ATOM 334 CG ARG A 25 5.465 -4.089 -4.076 1.00 0.00 C ATOM 335 CD ARG A 25 5.872 -5.371 -4.786 1.00 0.00 C ATOM 336 NE ARG A 25 4.779 -5.928 -5.579 1.00 0.00 N ATOM 337 CZ ARG A 25 4.963 -6.729 -6.622 1.00 0.00 C ATOM 338 NH1 ARG A 25 6.189 -7.065 -6.997 1.00 0.00 N ATOM 339 NH2 ARG A 25 3.918 -7.196 -7.294 1.00 0.00 N ATOM 0 H ARG A 25 5.781 -2.623 -1.535 1.00 0.00 H new ATOM 0 HA ARG A 25 3.263 -2.601 -3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.992 -4.939 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.673 -4.984 -3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.013 -3.403 -4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.351 -3.595 -3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.725 -5.171 -5.434 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.197 -6.106 -4.049 1.00 0.00 H new ATOM 0 HE ARG A 25 3.823 -5.689 -5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.995 -6.708 -6.484 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.326 -7.681 -7.799 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.973 -6.940 -7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.060 -7.811 -8.095 1.00 0.00 H new ATOM 353 N LEU A 26 1.746 -3.184 -1.206 1.00 0.00 N ATOM 354 CA LEU A 26 0.820 -3.482 -0.119 1.00 0.00 C ATOM 355 C LEU A 26 -0.577 -3.773 -0.659 1.00 0.00 C ATOM 356 O LEU A 26 -0.789 -3.809 -1.870 1.00 0.00 O ATOM 357 CB LEU A 26 0.766 -2.314 0.867 1.00 0.00 C ATOM 358 CG LEU A 26 0.500 -0.936 0.260 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.714 -0.453 -0.520 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.730 -0.975 -0.635 1.00 0.00 C ATOM 0 H LEU A 26 1.313 -2.752 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 26 1.181 -4.370 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.011 -2.521 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.713 -2.275 1.406 1.00 0.00 H new ATOM 0 HG LEU A 26 0.312 -0.233 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.506 0.529 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.572 -0.385 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.934 -1.156 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.904 0.014 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.571 -1.691 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.598 -1.276 -0.048 1.00 0.00 H new ATOM 372 N GLU A 27 -1.525 -3.978 0.250 1.00 0.00 N ATOM 373 CA GLU A 27 -2.902 -4.264 -0.136 1.00 0.00 C ATOM 374 C GLU A 27 -3.829 -3.119 0.264 1.00 0.00 C ATOM 375 O GLU A 27 -3.576 -2.415 1.241 1.00 0.00 O ATOM 376 CB GLU A 27 -3.376 -5.568 0.510 1.00 0.00 C ATOM 377 CG GLU A 27 -2.577 -6.786 0.079 1.00 0.00 C ATOM 378 CD GLU A 27 -3.402 -8.058 0.088 1.00 0.00 C ATOM 379 OE1 GLU A 27 -4.106 -8.316 -0.911 1.00 0.00 O ATOM 380 OE2 GLU A 27 -3.343 -8.796 1.094 1.00 0.00 O ATOM 0 H GLU A 27 -1.365 -3.951 1.257 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.933 -4.372 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.316 -5.469 1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.426 -5.726 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.182 -6.621 -0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.721 -6.908 0.743 1.00 0.00 H new ATOM 387 N ALA A 28 -4.902 -2.940 -0.498 1.00 0.00 N ATOM 388 CA ALA A 28 -5.867 -1.882 -0.223 1.00 0.00 C ATOM 389 C ALA A 28 -7.291 -2.427 -0.216 1.00 0.00 C ATOM 390 O ALA A 28 -7.621 -3.341 -0.973 1.00 0.00 O ATOM 391 CB ALA A 28 -5.732 -0.765 -1.247 1.00 0.00 C ATOM 0 H ALA A 28 -5.126 -3.514 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.655 -1.479 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.459 0.018 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.726 -0.349 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.915 -1.162 -2.245 1.00 0.00 H new ATOM 397 N LEU A 29 -8.131 -1.861 0.643 1.00 0.00 N ATOM 398 CA LEU A 29 -9.522 -2.291 0.749 1.00 0.00 C ATOM 399 C LEU A 29 -10.401 -1.540 -0.246 1.00 0.00 C ATOM 400 O LEU A 29 -10.585 -0.327 -0.135 1.00 0.00 O ATOM 401 CB LEU A 29 -10.037 -2.068 2.172 1.00 0.00 C ATOM 402 CG LEU A 29 -11.370 -2.735 2.514 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.156 -4.191 2.896 1.00 0.00 C ATOM 404 CD2 LEU A 29 -12.069 -1.984 3.638 1.00 0.00 C ATOM 0 H LEU A 29 -7.874 -1.104 1.276 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.568 -3.355 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.283 -2.429 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.137 -0.995 2.337 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.008 -2.703 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.116 -4.649 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.699 -4.723 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.500 -4.247 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.016 -2.473 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.435 -1.984 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.257 -0.956 3.327 1.00 0.00 H new ATOM 416 N ASP A 30 -10.943 -2.268 -1.215 1.00 0.00 N ATOM 417 CA ASP A 30 -11.806 -1.672 -2.228 1.00 0.00 C ATOM 418 C ASP A 30 -13.190 -1.377 -1.658 1.00 0.00 C ATOM 419 O ASP A 30 -13.565 -1.902 -0.609 1.00 0.00 O ATOM 420 CB ASP A 30 -11.927 -2.601 -3.437 1.00 0.00 C ATOM 421 CG ASP A 30 -12.763 -1.999 -4.549 1.00 0.00 C ATOM 422 OD1 ASP A 30 -12.418 -0.894 -5.019 1.00 0.00 O ATOM 423 OD2 ASP A 30 -13.761 -2.632 -4.951 1.00 0.00 O ATOM 0 H ASP A 30 -10.800 -3.272 -1.321 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.355 -0.732 -2.546 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.931 -2.829 -3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.372 -3.545 -3.123 1.00 0.00 H new ATOM 428 N TYR A 31 -13.944 -0.534 -2.354 1.00 0.00 N ATOM 429 CA TYR A 31 -15.285 -0.167 -1.915 1.00 0.00 C ATOM 430 C TYR A 31 -16.132 -1.408 -1.654 1.00 0.00 C ATOM 431 O TYR A 31 -17.039 -1.392 -0.820 1.00 0.00 O ATOM 432 CB TYR A 31 -15.964 0.716 -2.964 1.00 0.00 C ATOM 433 CG TYR A 31 -15.818 0.198 -4.377 1.00 0.00 C ATOM 434 CD1 TYR A 31 -14.664 0.441 -5.111 1.00 0.00 C ATOM 435 CD2 TYR A 31 -16.835 -0.534 -4.979 1.00 0.00 C ATOM 436 CE1 TYR A 31 -14.526 -0.030 -6.403 1.00 0.00 C ATOM 437 CE2 TYR A 31 -16.705 -1.009 -6.269 1.00 0.00 C ATOM 438 CZ TYR A 31 -15.549 -0.755 -6.977 1.00 0.00 C ATOM 439 OH TYR A 31 -15.417 -1.226 -8.263 1.00 0.00 O ATOM 0 H TYR A 31 -13.649 -0.092 -3.225 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.194 0.391 -0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.024 0.801 -2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.544 1.720 -2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.861 1.008 -4.664 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -17.742 -0.735 -4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.622 0.169 -6.960 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -17.505 -1.577 -6.721 1.00 0.00 H new ATOM 0 HH TYR A 31 -16.226 -1.717 -8.516 1.00 0.00 H new ATOM 449 N LEU A 32 -15.830 -2.485 -2.371 1.00 0.00 N ATOM 450 CA LEU A 32 -16.562 -3.737 -2.218 1.00 0.00 C ATOM 451 C LEU A 32 -15.993 -4.563 -1.068 1.00 0.00 C ATOM 452 O LEU A 32 -16.281 -5.753 -0.946 1.00 0.00 O ATOM 453 CB LEU A 32 -16.508 -4.544 -3.516 1.00 0.00 C ATOM 454 CG LEU A 32 -17.040 -3.842 -4.766 1.00 0.00 C ATOM 455 CD1 LEU A 32 -16.820 -4.706 -5.998 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.516 -3.507 -4.603 1.00 0.00 C ATOM 0 H LEU A 32 -15.083 -2.516 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.600 -3.497 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.473 -4.832 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.074 -5.464 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.490 -2.911 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.205 -4.190 -6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.754 -4.894 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.343 -5.654 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.877 -3.008 -5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -19.082 -4.425 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.647 -2.848 -3.745 1.00 0.00 H new ATOM 468 N GLN A 33 -15.187 -3.922 -0.228 1.00 0.00 N ATOM 469 CA GLN A 33 -14.579 -4.598 0.912 1.00 0.00 C ATOM 470 C GLN A 33 -13.759 -5.800 0.458 1.00 0.00 C ATOM 471 O GLN A 33 -13.747 -6.841 1.116 1.00 0.00 O ATOM 472 CB GLN A 33 -15.658 -5.045 1.900 1.00 0.00 C ATOM 473 CG GLN A 33 -16.503 -3.901 2.437 1.00 0.00 C ATOM 474 CD GLN A 33 -17.224 -4.260 3.722 1.00 0.00 C ATOM 475 OE1 GLN A 33 -16.824 -5.182 4.434 1.00 0.00 O ATOM 476 NE2 GLN A 33 -18.292 -3.533 4.025 1.00 0.00 N ATOM 0 H GLN A 33 -14.940 -2.936 -0.315 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.912 -3.893 1.408 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.310 -5.768 1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.183 -5.558 2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.865 -3.035 2.613 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.235 -3.610 1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.588 -2.778 3.406 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.817 -3.729 4.877 1.00 0.00 H new ATOM 485 N LYS A 34 -13.073 -5.651 -0.670 1.00 0.00 N ATOM 486 CA LYS A 34 -12.248 -6.724 -1.212 1.00 0.00 C ATOM 487 C LYS A 34 -10.765 -6.398 -1.063 1.00 0.00 C ATOM 488 O LYS A 34 -10.331 -5.286 -1.364 1.00 0.00 O ATOM 489 CB LYS A 34 -12.584 -6.957 -2.687 1.00 0.00 C ATOM 490 CG LYS A 34 -14.056 -7.232 -2.940 1.00 0.00 C ATOM 491 CD LYS A 34 -14.450 -8.624 -2.475 1.00 0.00 C ATOM 492 CE LYS A 34 -15.662 -9.143 -3.234 1.00 0.00 C ATOM 493 NZ LYS A 34 -15.299 -9.627 -4.595 1.00 0.00 N ATOM 0 H LYS A 34 -13.072 -4.797 -1.227 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.461 -7.633 -0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.283 -6.082 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.997 -7.798 -3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.661 -6.489 -2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.269 -7.129 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.612 -9.306 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.669 -8.604 -1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.123 -9.955 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.405 -8.350 -3.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.131 -9.571 -5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.537 -9.035 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.975 -10.614 -4.538 1.00 0.00 H new ATOM 507 N TRP A 35 -9.994 -7.375 -0.598 1.00 0.00 N ATOM 508 CA TRP A 35 -8.559 -7.192 -0.411 1.00 0.00 C ATOM 509 C TRP A 35 -7.795 -7.548 -1.681 1.00 0.00 C ATOM 510 O TRP A 35 -8.076 -8.560 -2.323 1.00 0.00 O ATOM 511 CB TRP A 35 -8.063 -8.049 0.755 1.00 0.00 C ATOM 512 CG TRP A 35 -8.541 -7.567 2.091 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.469 -8.167 2.894 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.116 -6.386 2.779 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.647 -7.429 4.040 1.00 0.00 N ATOM 516 CE2 TRP A 35 -8.828 -6.332 3.993 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.203 -5.369 2.488 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -8.653 -5.301 4.913 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.031 -4.346 3.401 1.00 0.00 C ATOM 520 CH2 TRP A 35 -7.752 -4.319 4.602 1.00 0.00 C ATOM 0 H TRP A 35 -10.338 -8.301 -0.344 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.378 -6.141 -0.183 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.394 -9.077 0.608 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.973 -8.061 0.750 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.987 -9.086 2.663 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.285 -7.661 4.801 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.641 -5.382 1.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.209 -5.277 5.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.329 -3.554 3.185 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -7.594 -3.507 5.296 1.00 0.00 H new ATOM 531 N TYR A 36 -6.827 -6.711 -2.038 1.00 0.00 N ATOM 532 CA TYR A 36 -6.023 -6.937 -3.233 1.00 0.00 C ATOM 533 C TYR A 36 -4.691 -6.199 -3.142 1.00 0.00 C ATOM 534 O TYR A 36 -4.555 -5.196 -2.440 1.00 0.00 O ATOM 535 CB TYR A 36 -6.786 -6.484 -4.480 1.00 0.00 C ATOM 536 CG TYR A 36 -7.984 -7.347 -4.804 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.829 -8.682 -5.156 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.272 -6.828 -4.756 1.00 0.00 C ATOM 539 CE1 TYR A 36 -8.920 -9.474 -5.454 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.370 -7.613 -5.050 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.189 -8.935 -5.399 1.00 0.00 C ATOM 542 OH TYR A 36 -11.279 -9.721 -5.694 1.00 0.00 O ATOM 0 H TYR A 36 -6.580 -5.870 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.821 -8.006 -3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.117 -5.455 -4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.106 -6.486 -5.332 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.837 -9.108 -5.197 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.417 -5.793 -4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.781 -10.509 -5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.364 -7.194 -5.007 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.098 -9.190 -5.607 1.00 0.00 H new ATOM 552 N PRO A 37 -3.684 -6.705 -3.869 1.00 0.00 N ATOM 553 CA PRO A 37 -2.345 -6.110 -3.888 1.00 0.00 C ATOM 554 C PRO A 37 -2.318 -4.766 -4.608 1.00 0.00 C ATOM 555 O PRO A 37 -3.184 -4.476 -5.434 1.00 0.00 O ATOM 556 CB PRO A 37 -1.509 -7.141 -4.651 1.00 0.00 C ATOM 557 CG PRO A 37 -2.490 -7.865 -5.507 1.00 0.00 C ATOM 558 CD PRO A 37 -3.776 -7.898 -4.728 1.00 0.00 C ATOM 0 HA PRO A 37 -1.978 -5.902 -2.883 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.739 -6.659 -5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.001 -7.822 -3.968 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.625 -7.356 -6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.143 -8.874 -5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.645 -7.855 -5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.866 -8.811 -4.140 1.00 0.00 H new ATOM 566 N SER A 38 -1.319 -3.949 -4.290 1.00 0.00 N ATOM 567 CA SER A 38 -1.182 -2.633 -4.904 1.00 0.00 C ATOM 568 C SER A 38 0.189 -2.035 -4.606 1.00 0.00 C ATOM 569 O SER A 38 0.969 -2.595 -3.835 1.00 0.00 O ATOM 570 CB SER A 38 -2.281 -1.695 -4.401 1.00 0.00 C ATOM 571 OG SER A 38 -3.556 -2.113 -4.855 1.00 0.00 O ATOM 0 H SER A 38 -0.592 -4.175 -3.611 1.00 0.00 H new ATOM 0 HA SER A 38 -1.281 -2.751 -5.983 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.270 -1.669 -3.311 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.083 -0.680 -4.746 1.00 0.00 H new ATOM 0 HG SER A 38 -3.454 -2.883 -5.453 1.00 0.00 H new ATOM 577 N ARG A 39 0.477 -0.894 -5.224 1.00 0.00 N ATOM 578 CA ARG A 39 1.754 -0.219 -5.027 1.00 0.00 C ATOM 579 C ARG A 39 1.557 1.287 -4.882 1.00 0.00 C ATOM 580 O ARG A 39 0.510 1.823 -5.245 1.00 0.00 O ATOM 581 CB ARG A 39 2.695 -0.511 -6.197 1.00 0.00 C ATOM 582 CG ARG A 39 3.580 -1.727 -5.979 1.00 0.00 C ATOM 583 CD ARG A 39 4.887 -1.610 -6.747 1.00 0.00 C ATOM 584 NE ARG A 39 4.696 -1.786 -8.184 1.00 0.00 N ATOM 585 CZ ARG A 39 5.691 -2.002 -9.037 1.00 0.00 C ATOM 586 NH1 ARG A 39 6.941 -2.067 -8.600 1.00 0.00 N ATOM 587 NH2 ARG A 39 5.437 -2.153 -10.331 1.00 0.00 N ATOM 0 H ARG A 39 -0.157 -0.418 -5.865 1.00 0.00 H new ATOM 0 HA ARG A 39 2.199 -0.599 -4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.103 -0.661 -7.100 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.326 0.361 -6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.791 -1.839 -4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.050 -2.625 -6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.332 -0.633 -6.558 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.591 -2.358 -6.381 1.00 0.00 H new ATOM 0 HE ARG A 39 3.746 -1.741 -8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.141 -1.951 -7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.703 -2.233 -9.257 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.477 -2.103 -10.671 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.202 -2.319 -10.985 1.00 0.00 H new ATOM 601 N ILE A 40 2.569 1.962 -4.348 1.00 0.00 N ATOM 602 CA ILE A 40 2.506 3.406 -4.156 1.00 0.00 C ATOM 603 C ILE A 40 3.264 4.140 -5.257 1.00 0.00 C ATOM 604 O ILE A 40 4.494 4.174 -5.260 1.00 0.00 O ATOM 605 CB ILE A 40 3.083 3.817 -2.788 1.00 0.00 C ATOM 606 CG1 ILE A 40 2.150 3.370 -1.662 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.302 5.322 -2.737 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.787 3.426 -0.291 1.00 0.00 C ATOM 0 H ILE A 40 3.442 1.533 -4.041 1.00 0.00 H new ATOM 0 HA ILE A 40 1.453 3.685 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 40 4.046 3.325 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.261 4.000 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.819 2.350 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.710 5.598 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.001 5.615 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.352 5.833 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.068 3.095 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.660 2.774 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.093 4.449 -0.073 1.00 0.00 H new ATOM 620 N GLU A 41 2.521 4.728 -6.189 1.00 0.00 N ATOM 621 CA GLU A 41 3.124 5.464 -7.294 1.00 0.00 C ATOM 622 C GLU A 41 3.630 6.826 -6.830 1.00 0.00 C ATOM 623 O GLU A 41 4.746 7.231 -7.154 1.00 0.00 O ATOM 624 CB GLU A 41 2.113 5.642 -8.429 1.00 0.00 C ATOM 625 CG GLU A 41 2.053 4.460 -9.382 1.00 0.00 C ATOM 626 CD GLU A 41 3.127 4.517 -10.450 1.00 0.00 C ATOM 627 OE1 GLU A 41 4.318 4.374 -10.103 1.00 0.00 O ATOM 628 OE2 GLU A 41 2.777 4.705 -11.634 1.00 0.00 O ATOM 0 H GLU A 41 1.501 4.709 -6.201 1.00 0.00 H new ATOM 0 HA GLU A 41 3.973 4.887 -7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.124 5.803 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.367 6.540 -8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.159 3.535 -8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.073 4.432 -9.859 1.00 0.00 H new ATOM 635 N LYS A 42 2.800 7.531 -6.068 1.00 0.00 N ATOM 636 CA LYS A 42 3.161 8.848 -5.557 1.00 0.00 C ATOM 637 C LYS A 42 2.586 9.066 -4.161 1.00 0.00 C ATOM 638 O LYS A 42 1.612 8.420 -3.773 1.00 0.00 O ATOM 639 CB LYS A 42 2.657 9.940 -6.503 1.00 0.00 C ATOM 640 CG LYS A 42 3.497 10.090 -7.760 1.00 0.00 C ATOM 641 CD LYS A 42 2.712 10.753 -8.880 1.00 0.00 C ATOM 642 CE LYS A 42 3.583 10.997 -10.103 1.00 0.00 C ATOM 643 NZ LYS A 42 4.120 9.727 -10.663 1.00 0.00 N ATOM 0 H LYS A 42 1.872 7.212 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 42 4.248 8.901 -5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.629 9.717 -6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.641 10.891 -5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.385 10.682 -7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.842 9.109 -8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.866 10.123 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.304 11.700 -8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.001 11.513 -10.866 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.410 11.654 -9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.564 9.914 -11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.828 9.332 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.344 9.046 -10.785 1.00 0.00 H new ATOM 657 N ILE A 43 3.194 9.980 -3.412 1.00 0.00 N ATOM 658 CA ILE A 43 2.741 10.284 -2.061 1.00 0.00 C ATOM 659 C ILE A 43 2.742 11.787 -1.806 1.00 0.00 C ATOM 660 O ILE A 43 3.797 12.399 -1.642 1.00 0.00 O ATOM 661 CB ILE A 43 3.624 9.595 -1.003 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.528 8.074 -1.138 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.215 10.035 0.395 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.471 7.325 -0.224 1.00 0.00 C ATOM 0 H ILE A 43 4.002 10.523 -3.718 1.00 0.00 H new ATOM 0 HA ILE A 43 1.723 9.904 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 43 4.660 9.890 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.505 7.763 -0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.738 7.795 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.848 9.540 1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.330 11.115 0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.174 9.765 0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.348 6.252 -0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.499 7.608 -0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.247 7.574 0.813 1.00 0.00 H new ATOM 676 N ASP A 44 1.551 12.376 -1.772 1.00 0.00 N ATOM 677 CA ASP A 44 1.413 13.808 -1.535 1.00 0.00 C ATOM 678 C ASP A 44 1.319 14.104 -0.041 1.00 0.00 C ATOM 679 O ASP A 44 0.267 13.926 0.572 1.00 0.00 O ATOM 680 CB ASP A 44 0.176 14.349 -2.253 1.00 0.00 C ATOM 681 CG ASP A 44 0.484 14.821 -3.661 1.00 0.00 C ATOM 682 OD1 ASP A 44 1.493 15.536 -3.839 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.282 14.476 -4.583 1.00 0.00 O ATOM 0 H ASP A 44 0.668 11.884 -1.906 1.00 0.00 H new ATOM 0 HA ASP A 44 2.299 14.304 -1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.587 13.571 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.241 15.176 -1.679 1.00 0.00 H new ATOM 688 N TYR A 45 2.426 14.556 0.538 1.00 0.00 N ATOM 689 CA TYR A 45 2.469 14.874 1.960 1.00 0.00 C ATOM 690 C TYR A 45 1.831 16.232 2.235 1.00 0.00 C ATOM 691 O TYR A 45 1.371 16.500 3.344 1.00 0.00 O ATOM 692 CB TYR A 45 3.915 14.867 2.462 1.00 0.00 C ATOM 693 CG TYR A 45 4.553 13.496 2.448 1.00 0.00 C ATOM 694 CD1 TYR A 45 4.787 12.829 1.252 1.00 0.00 C ATOM 695 CD2 TYR A 45 4.924 12.870 3.631 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.370 11.577 1.235 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.509 11.618 3.624 1.00 0.00 C ATOM 698 CZ TYR A 45 5.729 10.975 2.424 1.00 0.00 C ATOM 699 OH TYR A 45 6.311 9.729 2.411 1.00 0.00 O ATOM 0 H TYR A 45 3.305 14.710 0.044 1.00 0.00 H new ATOM 0 HA TYR A 45 1.901 14.112 2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.509 15.541 1.845 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.940 15.260 3.478 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.508 13.297 0.320 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.752 13.370 4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.544 11.072 0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.792 11.146 4.553 1.00 0.00 H new ATOM 0 HH TYR A 45 6.503 9.448 3.330 1.00 0.00 H new ATOM 709 N GLU A 46 1.806 17.084 1.215 1.00 0.00 N ATOM 710 CA GLU A 46 1.224 18.415 1.347 1.00 0.00 C ATOM 711 C GLU A 46 -0.285 18.330 1.555 1.00 0.00 C ATOM 712 O GLU A 46 -0.873 19.156 2.253 1.00 0.00 O ATOM 713 CB GLU A 46 1.532 19.255 0.106 1.00 0.00 C ATOM 714 CG GLU A 46 2.850 20.006 0.191 1.00 0.00 C ATOM 715 CD GLU A 46 3.080 20.920 -0.997 1.00 0.00 C ATOM 716 OE1 GLU A 46 2.883 20.463 -2.143 1.00 0.00 O ATOM 717 OE2 GLU A 46 3.455 22.091 -0.782 1.00 0.00 O ATOM 0 H GLU A 46 2.181 16.877 0.289 1.00 0.00 H new ATOM 0 HA GLU A 46 1.668 18.893 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.550 18.604 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.725 19.971 -0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.869 20.596 1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.668 19.289 0.257 1.00 0.00 H new ATOM 724 N GLU A 47 -0.906 17.326 0.943 1.00 0.00 N ATOM 725 CA GLU A 47 -2.347 17.135 1.061 1.00 0.00 C ATOM 726 C GLU A 47 -2.667 15.975 1.999 1.00 0.00 C ATOM 727 O GLU A 47 -3.577 16.061 2.822 1.00 0.00 O ATOM 728 CB GLU A 47 -2.963 16.877 -0.316 1.00 0.00 C ATOM 729 CG GLU A 47 -3.262 18.146 -1.096 1.00 0.00 C ATOM 730 CD GLU A 47 -4.026 19.168 -0.277 1.00 0.00 C ATOM 731 OE1 GLU A 47 -5.143 18.846 0.180 1.00 0.00 O ATOM 732 OE2 GLU A 47 -3.508 20.289 -0.093 1.00 0.00 O ATOM 0 H GLU A 47 -0.434 16.633 0.361 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.776 18.046 1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.283 16.254 -0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.886 16.311 -0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.326 18.587 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.839 17.894 -1.985 1.00 0.00 H new ATOM 739 N GLY A 48 -1.911 14.888 1.867 1.00 0.00 N ATOM 740 CA GLY A 48 -2.129 13.726 2.708 1.00 0.00 C ATOM 741 C GLY A 48 -2.706 12.554 1.938 1.00 0.00 C ATOM 742 O GLY A 48 -3.299 11.648 2.524 1.00 0.00 O ATOM 0 H GLY A 48 -1.152 14.792 1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.184 13.428 3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.805 13.991 3.521 1.00 0.00 H new ATOM 746 N LYS A 49 -2.533 12.571 0.621 1.00 0.00 N ATOM 747 CA LYS A 49 -3.040 11.502 -0.231 1.00 0.00 C ATOM 748 C LYS A 49 -1.916 10.884 -1.056 1.00 0.00 C ATOM 749 O LYS A 49 -0.981 11.573 -1.462 1.00 0.00 O ATOM 750 CB LYS A 49 -4.134 12.037 -1.159 1.00 0.00 C ATOM 751 CG LYS A 49 -3.745 13.314 -1.883 1.00 0.00 C ATOM 752 CD LYS A 49 -4.529 13.484 -3.173 1.00 0.00 C ATOM 753 CE LYS A 49 -3.855 14.477 -4.108 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.735 14.847 -5.251 1.00 0.00 N ATOM 0 H LYS A 49 -2.045 13.314 0.120 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.462 10.729 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.380 11.272 -1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.036 12.220 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.922 14.171 -1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.678 13.297 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.624 12.520 -3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.539 13.825 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.586 15.375 -3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.928 14.047 -4.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.240 15.525 -5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.972 13.994 -5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.609 15.281 -4.890 1.00 0.00 H new ATOM 768 N MET A 50 -2.015 9.581 -1.301 1.00 0.00 N ATOM 769 CA MET A 50 -1.007 8.872 -2.080 1.00 0.00 C ATOM 770 C MET A 50 -1.643 8.157 -3.269 1.00 0.00 C ATOM 771 O MET A 50 -2.752 7.630 -3.169 1.00 0.00 O ATOM 772 CB MET A 50 -0.268 7.863 -1.200 1.00 0.00 C ATOM 773 CG MET A 50 -1.154 7.204 -0.155 1.00 0.00 C ATOM 774 SD MET A 50 -0.351 5.809 0.657 1.00 0.00 S ATOM 775 CE MET A 50 -1.618 4.552 0.502 1.00 0.00 C ATOM 0 H MET A 50 -2.783 8.996 -0.971 1.00 0.00 H new ATOM 0 HA MET A 50 -0.294 9.605 -2.457 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.168 7.091 -1.834 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.558 8.367 -0.698 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.436 7.943 0.595 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.075 6.863 -0.628 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.263 3.621 0.943 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.520 4.878 1.021 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.844 4.391 -0.552 1.00 0.00 H new ATOM 785 N LEU A 51 -0.935 8.143 -4.393 1.00 0.00 N ATOM 786 CA LEU A 51 -1.430 7.493 -5.601 1.00 0.00 C ATOM 787 C LEU A 51 -1.099 6.004 -5.593 1.00 0.00 C ATOM 788 O LEU A 51 0.040 5.609 -5.843 1.00 0.00 O ATOM 789 CB LEU A 51 -0.828 8.155 -6.843 1.00 0.00 C ATOM 790 CG LEU A 51 -1.695 8.130 -8.102 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.884 8.559 -9.316 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.286 6.745 -8.316 1.00 0.00 C ATOM 0 H LEU A 51 -0.016 8.575 -4.493 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.514 7.605 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.601 9.194 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.119 7.665 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.515 8.836 -7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.517 8.535 -10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.510 9.571 -9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.044 7.878 -9.451 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.900 6.747 -9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.481 6.019 -8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.902 6.475 -7.458 1.00 0.00 H new ATOM 804 N VAL A 52 -2.103 5.182 -5.307 1.00 0.00 N ATOM 805 CA VAL A 52 -1.920 3.736 -5.270 1.00 0.00 C ATOM 806 C VAL A 52 -2.552 3.071 -6.488 1.00 0.00 C ATOM 807 O VAL A 52 -3.621 3.475 -6.945 1.00 0.00 O ATOM 808 CB VAL A 52 -2.527 3.126 -3.993 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.020 3.407 -3.924 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.255 1.630 -3.936 1.00 0.00 C ATOM 0 H VAL A 52 -3.052 5.493 -5.097 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.846 3.553 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.054 3.592 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.431 2.968 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.187 4.484 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.513 2.970 -4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.691 1.215 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.700 1.146 -4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.179 1.456 -3.935 1.00 0.00 H new ATOM 820 N HIS A 53 -1.883 2.047 -7.009 1.00 0.00 N ATOM 821 CA HIS A 53 -2.380 1.323 -8.174 1.00 0.00 C ATOM 822 C HIS A 53 -2.901 -0.054 -7.777 1.00 0.00 C ATOM 823 O HIS A 53 -2.297 -0.745 -6.956 1.00 0.00 O ATOM 824 CB HIS A 53 -1.275 1.181 -9.222 1.00 0.00 C ATOM 825 CG HIS A 53 -1.398 -0.056 -10.057 1.00 0.00 C ATOM 826 ND1 HIS A 53 -2.342 -0.201 -11.052 1.00 0.00 N ATOM 827 CD2 HIS A 53 -0.687 -1.207 -10.044 1.00 0.00 C ATOM 828 CE1 HIS A 53 -2.207 -1.390 -11.612 1.00 0.00 C ATOM 829 NE2 HIS A 53 -1.210 -2.020 -11.019 1.00 0.00 N ATOM 0 H HIS A 53 -0.996 1.700 -6.643 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.204 1.894 -8.601 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.291 2.054 -9.875 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.308 1.176 -8.720 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.138 -1.442 -9.389 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.810 -1.780 -12.418 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.882 -2.958 -11.248 1.00 0.00 H new ATOM 837 N PHE A 54 -4.026 -0.448 -8.364 1.00 0.00 N ATOM 838 CA PHE A 54 -4.629 -1.743 -8.070 1.00 0.00 C ATOM 839 C PHE A 54 -4.279 -2.764 -9.149 1.00 0.00 C ATOM 840 O PHE A 54 -4.146 -2.420 -10.323 1.00 0.00 O ATOM 841 CB PHE A 54 -6.149 -1.607 -7.955 1.00 0.00 C ATOM 842 CG PHE A 54 -6.601 -1.030 -6.645 1.00 0.00 C ATOM 843 CD1 PHE A 54 -6.827 -1.851 -5.552 1.00 0.00 C ATOM 844 CD2 PHE A 54 -6.801 0.335 -6.506 1.00 0.00 C ATOM 845 CE1 PHE A 54 -7.243 -1.322 -4.344 1.00 0.00 C ATOM 846 CE2 PHE A 54 -7.217 0.868 -5.301 1.00 0.00 C ATOM 847 CZ PHE A 54 -7.439 0.039 -4.219 1.00 0.00 C ATOM 0 H PHE A 54 -4.539 0.111 -9.046 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.229 -2.094 -7.119 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -6.512 -0.975 -8.766 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.605 -2.588 -8.087 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.677 -2.916 -5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.630 0.989 -7.349 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.414 -1.973 -3.499 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.369 1.933 -5.205 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.765 0.454 -3.277 1.00 0.00 H new ATOM 857 N GLU A 55 -4.130 -4.020 -8.741 1.00 0.00 N ATOM 858 CA GLU A 55 -3.794 -5.091 -9.672 1.00 0.00 C ATOM 859 C GLU A 55 -5.053 -5.799 -10.164 1.00 0.00 C ATOM 860 O GLU A 55 -5.241 -5.990 -11.366 1.00 0.00 O ATOM 861 CB GLU A 55 -2.855 -6.099 -9.007 1.00 0.00 C ATOM 862 CG GLU A 55 -1.776 -5.455 -8.153 1.00 0.00 C ATOM 863 CD GLU A 55 -0.488 -6.255 -8.139 1.00 0.00 C ATOM 864 OE1 GLU A 55 -0.224 -6.970 -9.129 1.00 0.00 O ATOM 865 OE2 GLU A 55 0.256 -6.166 -7.141 1.00 0.00 O ATOM 0 H GLU A 55 -4.237 -4.321 -7.772 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.289 -4.647 -10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.443 -6.775 -8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.382 -6.706 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.572 -4.452 -8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.143 -5.346 -7.132 1.00 0.00 H new ATOM 872 N ARG A 56 -5.911 -6.187 -9.227 1.00 0.00 N ATOM 873 CA ARG A 56 -7.151 -6.876 -9.564 1.00 0.00 C ATOM 874 C ARG A 56 -7.715 -6.364 -10.887 1.00 0.00 C ATOM 875 O ARG A 56 -8.053 -7.148 -11.774 1.00 0.00 O ATOM 876 CB ARG A 56 -8.183 -6.687 -8.451 1.00 0.00 C ATOM 877 CG ARG A 56 -9.377 -7.621 -8.563 1.00 0.00 C ATOM 878 CD ARG A 56 -10.318 -7.192 -9.679 1.00 0.00 C ATOM 879 NE ARG A 56 -11.644 -7.787 -9.537 1.00 0.00 N ATOM 880 CZ ARG A 56 -12.496 -7.933 -10.545 1.00 0.00 C ATOM 881 NH1 ARG A 56 -12.162 -7.529 -11.763 1.00 0.00 N ATOM 882 NH2 ARG A 56 -13.684 -8.485 -10.337 1.00 0.00 N ATOM 0 H ARG A 56 -5.771 -6.036 -8.228 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.930 -7.938 -9.669 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.699 -6.844 -7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.536 -5.656 -8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.029 -8.637 -8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.917 -7.638 -7.616 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.407 -6.106 -9.681 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.893 -7.479 -10.641 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.932 -8.108 -8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.249 -7.105 -11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.818 -7.642 -12.536 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.944 -8.798 -9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.337 -8.596 -11.112 1.00 0.00 H new ATOM 896 N TRP A 57 -7.813 -5.046 -11.011 1.00 0.00 N ATOM 897 CA TRP A 57 -8.337 -4.429 -12.225 1.00 0.00 C ATOM 898 C TRP A 57 -7.299 -4.460 -13.342 1.00 0.00 C ATOM 899 O TRP A 57 -6.354 -3.671 -13.346 1.00 0.00 O ATOM 900 CB TRP A 57 -8.762 -2.987 -11.947 1.00 0.00 C ATOM 901 CG TRP A 57 -10.051 -2.883 -11.190 1.00 0.00 C ATOM 902 CD1 TRP A 57 -11.288 -2.626 -11.708 1.00 0.00 C ATOM 903 CD2 TRP A 57 -10.229 -3.032 -9.777 1.00 0.00 C ATOM 904 NE1 TRP A 57 -12.225 -2.607 -10.703 1.00 0.00 N ATOM 905 CE2 TRP A 57 -11.601 -2.854 -9.509 1.00 0.00 C ATOM 906 CE3 TRP A 57 -9.365 -3.301 -8.713 1.00 0.00 C ATOM 907 CZ2 TRP A 57 -12.124 -2.935 -8.221 1.00 0.00 C ATOM 908 CZ3 TRP A 57 -9.886 -3.381 -7.435 1.00 0.00 C ATOM 909 CH2 TRP A 57 -11.255 -3.199 -7.198 1.00 0.00 C ATOM 0 H TRP A 57 -7.537 -4.383 -10.286 1.00 0.00 H new ATOM 0 HA TRP A 57 -9.208 -5.001 -12.547 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.976 -2.487 -11.382 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.861 -2.456 -12.894 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -11.499 -2.462 -12.754 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.223 -2.437 -10.826 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.309 -3.444 -8.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -13.179 -2.794 -8.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -9.227 -3.587 -6.605 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -11.631 -3.268 -6.188 1.00 0.00 H new ATOM 920 N SER A 58 -7.481 -5.376 -14.288 1.00 0.00 N ATOM 921 CA SER A 58 -6.558 -5.511 -15.409 1.00 0.00 C ATOM 922 C SER A 58 -6.073 -4.144 -15.881 1.00 0.00 C ATOM 923 O SER A 58 -4.904 -3.795 -15.713 1.00 0.00 O ATOM 924 CB SER A 58 -7.231 -6.253 -16.565 1.00 0.00 C ATOM 925 OG SER A 58 -7.584 -7.573 -16.188 1.00 0.00 O ATOM 0 H SER A 58 -8.259 -6.035 -14.300 1.00 0.00 H new ATOM 0 HA SER A 58 -5.696 -6.086 -15.070 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.123 -5.711 -16.879 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.558 -6.284 -17.422 1.00 0.00 H new ATOM 0 HG SER A 58 -8.014 -8.025 -16.944 1.00 0.00 H new ATOM 931 N HIS A 59 -6.980 -3.373 -16.473 1.00 0.00 N ATOM 932 CA HIS A 59 -6.646 -2.043 -16.970 1.00 0.00 C ATOM 933 C HIS A 59 -5.957 -1.216 -15.888 1.00 0.00 C ATOM 934 O HIS A 59 -6.592 -0.778 -14.929 1.00 0.00 O ATOM 935 CB HIS A 59 -7.906 -1.324 -17.452 1.00 0.00 C ATOM 936 CG HIS A 59 -8.954 -1.176 -16.393 1.00 0.00 C ATOM 937 ND1 HIS A 59 -9.926 -0.199 -16.427 1.00 0.00 N ATOM 938 CD2 HIS A 59 -9.180 -1.890 -15.265 1.00 0.00 C ATOM 939 CE1 HIS A 59 -10.703 -0.316 -15.365 1.00 0.00 C ATOM 940 NE2 HIS A 59 -10.272 -1.336 -14.644 1.00 0.00 N ATOM 0 H HIS A 59 -7.952 -3.646 -16.620 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.959 -2.158 -17.808 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -7.632 -0.336 -17.820 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.327 -1.873 -18.294 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -10.029 0.505 -17.158 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -8.608 -2.738 -14.918 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.547 0.315 -15.127 1.00 0.00 H new ATOM 948 N ARG A 60 -4.654 -1.007 -16.049 1.00 0.00 N ATOM 949 CA ARG A 60 -3.879 -0.235 -15.086 1.00 0.00 C ATOM 950 C ARG A 60 -4.731 0.865 -14.460 1.00 0.00 C ATOM 951 O ARG A 60 -4.878 1.949 -15.026 1.00 0.00 O ATOM 952 CB ARG A 60 -2.651 0.378 -15.761 1.00 0.00 C ATOM 953 CG ARG A 60 -2.974 1.142 -17.035 1.00 0.00 C ATOM 954 CD ARG A 60 -2.750 0.284 -18.270 1.00 0.00 C ATOM 955 NE ARG A 60 -3.675 0.625 -19.348 1.00 0.00 N ATOM 956 CZ ARG A 60 -3.516 0.228 -20.606 1.00 0.00 C ATOM 957 NH1 ARG A 60 -2.475 -0.520 -20.942 1.00 0.00 N ATOM 958 NH2 ARG A 60 -4.400 0.580 -21.531 1.00 0.00 N ATOM 0 H ARG A 60 -4.113 -1.362 -16.838 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.551 -0.911 -14.296 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.159 1.051 -15.059 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.941 -0.415 -15.993 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.011 1.477 -17.007 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.352 2.035 -17.093 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.725 0.410 -18.618 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.870 -0.767 -18.008 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.487 1.199 -19.123 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.793 -0.793 -20.234 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.356 -0.823 -21.909 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.202 1.156 -21.277 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.277 0.275 -22.496 1.00 0.00 H new ATOM 972 N TYR A 61 -5.291 0.580 -13.290 1.00 0.00 N ATOM 973 CA TYR A 61 -6.131 1.543 -12.589 1.00 0.00 C ATOM 974 C TYR A 61 -5.401 2.126 -11.382 1.00 0.00 C ATOM 975 O TYR A 61 -5.138 1.426 -10.404 1.00 0.00 O ATOM 976 CB TYR A 61 -7.435 0.883 -12.140 1.00 0.00 C ATOM 977 CG TYR A 61 -8.185 1.674 -11.091 1.00 0.00 C ATOM 978 CD1 TYR A 61 -7.860 1.564 -9.745 1.00 0.00 C ATOM 979 CD2 TYR A 61 -9.218 2.533 -11.448 1.00 0.00 C ATOM 980 CE1 TYR A 61 -8.542 2.284 -8.784 1.00 0.00 C ATOM 981 CE2 TYR A 61 -9.905 3.258 -10.494 1.00 0.00 C ATOM 982 CZ TYR A 61 -9.564 3.130 -9.163 1.00 0.00 C ATOM 983 OH TYR A 61 -10.245 3.850 -8.209 1.00 0.00 O ATOM 0 H TYR A 61 -5.178 -0.311 -12.807 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.362 2.355 -13.279 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.080 0.744 -13.008 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.213 -0.109 -11.746 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.060 0.904 -9.445 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.488 2.635 -12.489 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.277 2.185 -7.742 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.705 3.922 -10.788 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.434 4.749 -8.551 1.00 0.00 H new ATOM 993 N ASP A 62 -5.077 3.412 -11.460 1.00 0.00 N ATOM 994 CA ASP A 62 -4.378 4.091 -10.374 1.00 0.00 C ATOM 995 C ASP A 62 -5.270 5.150 -9.734 1.00 0.00 C ATOM 996 O ASP A 62 -5.798 6.026 -10.418 1.00 0.00 O ATOM 997 CB ASP A 62 -3.091 4.734 -10.891 1.00 0.00 C ATOM 998 CG ASP A 62 -2.252 3.774 -11.711 1.00 0.00 C ATOM 999 OD1 ASP A 62 -2.838 2.969 -12.466 1.00 0.00 O ATOM 1000 OD2 ASP A 62 -1.010 3.827 -11.599 1.00 0.00 O ATOM 0 H ASP A 62 -5.287 4.005 -12.263 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.124 3.349 -9.617 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.342 5.603 -11.499 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.504 5.095 -10.046 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.432 5.063 -8.417 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.261 6.013 -7.686 1.00 0.00 C ATOM 1007 C GLU A 63 -5.556 6.489 -6.419 1.00 0.00 C ATOM 1008 O GLU A 63 -4.737 5.770 -5.846 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.607 5.379 -7.326 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.549 6.323 -6.597 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.279 7.260 -7.540 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -8.699 8.301 -7.910 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -10.432 6.951 -7.907 1.00 0.00 O ATOM 0 H GLU A 63 -5.000 4.345 -7.836 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.434 6.875 -8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.090 5.030 -8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.431 4.502 -6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.278 5.740 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.982 6.910 -5.874 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.879 7.703 -5.989 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.276 8.275 -4.791 1.00 0.00 C ATOM 1022 C TRP A 64 -6.037 7.848 -3.541 1.00 0.00 C ATOM 1023 O TRP A 64 -7.231 8.122 -3.407 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.246 9.801 -4.889 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.294 10.312 -5.928 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.508 10.378 -7.275 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.976 10.825 -5.703 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.403 10.902 -7.901 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.450 11.185 -6.960 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.190 11.017 -4.564 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -1.174 11.724 -7.105 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.924 11.552 -4.710 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.427 11.901 -5.973 1.00 0.00 C ATOM 0 H TRP A 64 -6.555 8.310 -6.452 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.254 7.903 -4.716 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.249 10.163 -5.116 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.970 10.215 -3.919 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.413 10.064 -7.775 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.308 11.055 -8.905 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.565 10.752 -3.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.788 11.993 -8.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.308 11.704 -3.836 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.566 12.318 -6.054 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.341 7.177 -2.630 1.00 0.00 N ATOM 1045 CA ILE A 65 -5.953 6.714 -1.390 1.00 0.00 C ATOM 1046 C ILE A 65 -5.270 7.332 -0.176 1.00 0.00 C ATOM 1047 O ILE A 65 -4.100 7.060 0.096 1.00 0.00 O ATOM 1048 CB ILE A 65 -5.896 5.180 -1.273 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.584 4.528 -2.475 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.543 4.723 0.026 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.611 3.017 -2.409 1.00 0.00 C ATOM 0 H ILE A 65 -4.353 6.942 -2.727 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.996 7.029 -1.416 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.851 4.870 -1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.607 4.899 -2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.072 4.835 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.495 3.636 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.013 5.163 0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.585 5.042 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.113 2.623 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.590 2.636 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.149 2.701 -1.515 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.007 8.163 0.553 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.472 8.820 1.739 1.00 0.00 C ATOM 1065 C TYR A 66 -4.666 7.841 2.587 1.00 0.00 C ATOM 1066 O TYR A 66 -5.208 6.875 3.125 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.607 9.419 2.572 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.182 10.688 1.986 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.352 11.693 1.504 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.556 10.884 1.916 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -6.873 12.855 0.969 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.086 12.042 1.381 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.241 13.024 0.909 1.00 0.00 C ATOM 1074 OH TYR A 66 -8.765 14.180 0.377 1.00 0.00 O ATOM 0 H TYR A 66 -6.977 8.397 0.343 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.809 9.621 1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.403 8.681 2.671 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.239 9.627 3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.281 11.563 1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.221 10.118 2.286 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.214 13.627 0.600 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.156 12.177 1.333 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.744 14.140 0.408 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.368 8.098 2.703 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.486 7.240 3.486 1.00 0.00 C ATOM 1086 C TRP A 67 -2.954 7.156 4.934 1.00 0.00 C ATOM 1087 O TRP A 67 -2.458 6.338 5.710 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.050 7.765 3.431 1.00 0.00 C ATOM 1089 CG TRP A 67 -0.925 9.198 3.851 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -1.944 10.081 4.066 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.289 9.914 4.105 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.437 11.303 4.438 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.070 11.226 4.471 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.644 9.573 4.062 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.878 12.195 4.789 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.583 10.536 4.378 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.197 11.834 4.738 1.00 0.00 C ATOM 0 H TRP A 67 -2.903 8.893 2.265 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.517 6.239 3.055 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.421 7.149 4.074 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.670 7.657 2.415 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.994 9.853 3.959 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -1.989 12.133 4.654 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.951 8.575 3.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.583 13.196 5.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.633 10.284 4.347 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.955 12.564 4.980 1.00 0.00 H new ATOM 1108 N ASP A 68 -3.911 8.005 5.293 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.447 8.024 6.649 1.00 0.00 C ATOM 1110 C ASP A 68 -5.869 7.474 6.679 1.00 0.00 C ATOM 1111 O ASP A 68 -6.637 7.760 7.598 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.425 9.448 7.208 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.231 10.414 6.362 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -4.972 10.492 5.143 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.120 11.093 6.919 1.00 0.00 O ATOM 0 H ASP A 68 -4.331 8.689 4.664 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.818 7.388 7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.820 9.443 8.224 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.394 9.796 7.269 1.00 0.00 H new ATOM 1120 N SER A 69 -6.214 6.683 5.668 1.00 0.00 N ATOM 1121 CA SER A 69 -7.546 6.097 5.576 1.00 0.00 C ATOM 1122 C SER A 69 -7.643 4.835 6.428 1.00 0.00 C ATOM 1123 O SER A 69 -8.731 4.432 6.838 1.00 0.00 O ATOM 1124 CB SER A 69 -7.882 5.769 4.120 1.00 0.00 C ATOM 1125 OG SER A 69 -9.283 5.772 3.907 1.00 0.00 O ATOM 0 H SER A 69 -5.590 6.433 4.901 1.00 0.00 H new ATOM 0 HA SER A 69 -8.264 6.826 5.952 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.409 6.498 3.461 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.474 4.792 3.860 1.00 0.00 H new ATOM 0 HG SER A 69 -9.473 6.039 2.983 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.497 4.216 6.691 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.452 2.999 7.494 1.00 0.00 C ATOM 1133 C ASN A 70 -7.211 1.867 6.809 1.00 0.00 C ATOM 1134 O ASN A 70 -7.772 0.993 7.470 1.00 0.00 O ATOM 1135 CB ASN A 70 -7.043 3.257 8.882 1.00 0.00 C ATOM 1136 CG ASN A 70 -7.122 1.996 9.721 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -6.193 1.188 9.734 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -8.234 1.823 10.425 1.00 0.00 N ATOM 0 H ASN A 70 -5.587 4.537 6.360 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.409 2.702 7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.435 3.998 9.401 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.041 3.682 8.776 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.345 0.993 11.008 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.978 2.520 10.383 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.223 1.889 5.480 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.913 0.865 4.705 1.00 0.00 C ATOM 1147 C ARG A 71 -6.916 -0.026 3.972 1.00 0.00 C ATOM 1148 O ARG A 71 -7.269 -0.716 3.015 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.869 1.513 3.701 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.912 2.411 4.345 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.669 3.221 3.304 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.729 4.028 3.903 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.801 4.444 3.238 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.955 4.131 1.959 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.722 5.176 3.853 1.00 0.00 N ATOM 0 H ARG A 71 -6.763 2.605 4.918 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.486 0.247 5.396 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.290 2.098 2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.375 0.730 3.136 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.614 1.803 4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.427 3.086 5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.973 3.872 2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.101 2.547 2.564 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.641 4.286 4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.249 3.569 1.483 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.779 4.452 1.451 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.607 5.419 4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.545 5.495 3.342 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.667 -0.006 4.426 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.617 -0.812 3.814 1.00 0.00 C ATOM 1171 C LEU A 72 -4.032 -1.799 4.819 1.00 0.00 C ATOM 1172 O LEU A 72 -4.117 -1.592 6.029 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.511 0.089 3.263 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.970 1.393 2.609 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.919 2.478 2.784 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.271 1.172 1.134 1.00 0.00 C ATOM 0 H LEU A 72 -5.357 0.560 5.216 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.059 -1.377 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.831 0.335 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.938 -0.479 2.530 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.885 1.721 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.264 3.398 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.753 2.655 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.986 2.159 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.596 2.110 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.372 0.820 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.061 0.428 1.031 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.436 -2.872 4.308 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.835 -3.890 5.161 1.00 0.00 C ATOM 1190 C ARG A 73 -1.444 -4.267 4.660 1.00 0.00 C ATOM 1191 O ARG A 73 -1.136 -4.165 3.473 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.725 -5.134 5.211 1.00 0.00 C ATOM 1193 CG ARG A 73 -3.794 -5.887 3.893 1.00 0.00 C ATOM 1194 CD ARG A 73 -4.336 -7.295 4.083 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.649 -7.295 4.722 1.00 0.00 N ATOM 1196 CZ ARG A 73 -6.177 -8.359 5.317 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -5.506 -9.502 5.355 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -7.378 -8.280 5.876 1.00 0.00 N ATOM 0 H ARG A 73 -3.357 -3.058 3.308 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.741 -3.478 6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.353 -5.806 5.984 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.732 -4.838 5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.430 -5.343 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.800 -5.936 3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.404 -7.791 3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.638 -7.873 4.689 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.190 -6.431 4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.582 -9.566 4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.913 -10.318 5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.896 -7.402 5.849 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.783 -9.097 6.333 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.582 -4.714 5.586 1.00 0.00 N ATOM 1213 CA PRO A 74 0.790 -5.115 5.263 1.00 0.00 C ATOM 1214 C PRO A 74 0.841 -6.406 4.452 1.00 0.00 C ATOM 1215 O PRO A 74 0.755 -7.503 5.006 1.00 0.00 O ATOM 1216 CB PRO A 74 1.433 -5.321 6.636 1.00 0.00 C ATOM 1217 CG PRO A 74 0.295 -5.639 7.543 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.881 -4.862 7.020 1.00 0.00 C ATOM 0 HA PRO A 74 1.297 -4.372 4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.161 -6.132 6.615 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.962 -4.426 6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.086 -6.709 7.546 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.524 -5.356 8.570 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.818 -5.394 7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.974 -3.894 7.513 1.00 0.00 H new ATOM 1226 N LEU A 75 0.981 -6.268 3.138 1.00 0.00 N ATOM 1227 CA LEU A 75 1.044 -7.424 2.250 1.00 0.00 C ATOM 1228 C LEU A 75 2.198 -8.344 2.635 1.00 0.00 C ATOM 1229 O LEU A 75 3.292 -7.881 2.956 1.00 0.00 O ATOM 1230 CB LEU A 75 1.201 -6.969 0.799 1.00 0.00 C ATOM 1231 CG LEU A 75 1.556 -8.060 -0.212 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.300 -8.766 -0.699 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.327 -7.471 -1.385 1.00 0.00 C ATOM 0 H LEU A 75 1.053 -5.368 2.664 1.00 0.00 H new ATOM 0 HA LEU A 75 0.112 -7.980 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.269 -6.499 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.974 -6.201 0.762 1.00 0.00 H new ATOM 0 HG LEU A 75 2.192 -8.794 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.573 -9.539 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.212 -9.222 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.362 -8.043 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.571 -8.262 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.716 -6.716 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.247 -7.013 -1.022 1.00 0.00 H new ATOM 1245 N GLU A 76 1.946 -9.649 2.598 1.00 0.00 N ATOM 1246 CA GLU A 76 2.965 -10.633 2.942 1.00 0.00 C ATOM 1247 C GLU A 76 3.330 -11.485 1.729 1.00 0.00 C ATOM 1248 O GLU A 76 2.874 -12.621 1.595 1.00 0.00 O ATOM 1249 CB GLU A 76 2.476 -11.530 4.080 1.00 0.00 C ATOM 1250 CG GLU A 76 2.140 -10.770 5.353 1.00 0.00 C ATOM 1251 CD GLU A 76 2.131 -11.662 6.579 1.00 0.00 C ATOM 1252 OE1 GLU A 76 3.225 -12.014 7.066 1.00 0.00 O ATOM 1253 OE2 GLU A 76 1.028 -12.006 7.053 1.00 0.00 O ATOM 0 H GLU A 76 1.046 -10.049 2.333 1.00 0.00 H new ATOM 0 HA GLU A 76 3.856 -10.097 3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.592 -12.075 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.243 -12.272 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.866 -9.969 5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.163 -10.299 5.244 1.00 0.00 H new ATOM 1260 N ARG A 77 4.154 -10.928 0.848 1.00 0.00 N ATOM 1261 CA ARG A 77 4.579 -11.635 -0.354 1.00 0.00 C ATOM 1262 C ARG A 77 6.094 -11.568 -0.517 1.00 0.00 C ATOM 1263 O ARG A 77 6.726 -10.541 -0.271 1.00 0.00 O ATOM 1264 CB ARG A 77 3.896 -11.042 -1.588 1.00 0.00 C ATOM 1265 CG ARG A 77 4.411 -11.609 -2.901 1.00 0.00 C ATOM 1266 CD ARG A 77 3.993 -10.747 -4.082 1.00 0.00 C ATOM 1267 NE ARG A 77 2.575 -10.897 -4.395 1.00 0.00 N ATOM 1268 CZ ARG A 77 1.859 -9.971 -5.024 1.00 0.00 C ATOM 1269 NH1 ARG A 77 2.427 -8.836 -5.406 1.00 0.00 N ATOM 1270 NH2 ARG A 77 0.573 -10.181 -5.273 1.00 0.00 N ATOM 0 H ARG A 77 4.541 -9.989 0.944 1.00 0.00 H new ATOM 0 HA ARG A 77 4.288 -12.680 -0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.823 -11.222 -1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 77 4.039 -9.961 -1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.498 -11.679 -2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.031 -12.622 -3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.207 -9.701 -3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.587 -11.016 -4.955 1.00 0.00 H new ATOM 0 HE ARG A 77 2.108 -11.760 -4.116 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.416 -8.672 -5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.875 -8.127 -5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.133 -11.054 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.024 -9.470 -5.756 1.00 0.00 H new ATOM 1284 N PRO A 78 6.694 -12.691 -0.942 1.00 0.00 N ATOM 1285 CA PRO A 78 8.142 -12.786 -1.148 1.00 0.00 C ATOM 1286 C PRO A 78 8.613 -11.965 -2.343 1.00 0.00 C ATOM 1287 O PRO A 78 7.849 -11.711 -3.274 1.00 0.00 O ATOM 1288 CB PRO A 78 8.367 -14.278 -1.402 1.00 0.00 C ATOM 1289 CG PRO A 78 7.066 -14.772 -1.934 1.00 0.00 C ATOM 1290 CD PRO A 78 6.003 -13.953 -1.255 1.00 0.00 C ATOM 0 HA PRO A 78 8.701 -12.395 -0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.174 -14.441 -2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.643 -14.799 -0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 78 7.017 -14.654 -3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 78 6.936 -15.833 -1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.144 -13.790 -1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.632 -14.442 -0.354 1.00 0.00 H new ATOM 1298 N ALA A 79 9.876 -11.553 -2.312 1.00 0.00 N ATOM 1299 CA ALA A 79 10.449 -10.763 -3.394 1.00 0.00 C ATOM 1300 C ALA A 79 11.966 -10.910 -3.438 1.00 0.00 C ATOM 1301 O ALA A 79 12.623 -10.984 -2.398 1.00 0.00 O ATOM 1302 CB ALA A 79 10.063 -9.299 -3.241 1.00 0.00 C ATOM 0 H ALA A 79 10.522 -11.754 -1.549 1.00 0.00 H new ATOM 0 HA ALA A 79 10.047 -11.137 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.498 -8.721 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.977 -9.204 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.437 -8.922 -2.289 1.00 0.00 H new ATOM 1308 N LEU A 80 12.517 -10.953 -4.646 1.00 0.00 N ATOM 1309 CA LEU A 80 13.958 -11.093 -4.825 1.00 0.00 C ATOM 1310 C LEU A 80 14.577 -9.783 -5.303 1.00 0.00 C ATOM 1311 O LEU A 80 14.562 -9.477 -6.496 1.00 0.00 O ATOM 1312 CB LEU A 80 14.262 -12.209 -5.826 1.00 0.00 C ATOM 1313 CG LEU A 80 14.347 -13.623 -5.249 1.00 0.00 C ATOM 1314 CD1 LEU A 80 14.140 -14.659 -6.343 1.00 0.00 C ATOM 1315 CD2 LEU A 80 15.685 -13.836 -4.556 1.00 0.00 C ATOM 0 H LEU A 80 11.988 -10.893 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 80 14.396 -11.350 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 80 13.491 -12.198 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.208 -11.981 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 80 13.555 -13.742 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 80 14.204 -15.659 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.158 -14.520 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.910 -14.542 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 80 15.728 -14.847 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.493 -13.698 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.793 -13.116 -3.745 1.00 0.00 H new ATOM 1327 N ARG A 81 15.122 -9.015 -4.366 1.00 0.00 N ATOM 1328 CA ARG A 81 15.747 -7.739 -4.692 1.00 0.00 C ATOM 1329 C ARG A 81 17.093 -7.597 -3.987 1.00 0.00 C ATOM 1330 O ARG A 81 17.429 -8.384 -3.101 1.00 0.00 O ATOM 1331 CB ARG A 81 14.828 -6.581 -4.296 1.00 0.00 C ATOM 1332 CG ARG A 81 13.468 -6.626 -4.972 1.00 0.00 C ATOM 1333 CD ARG A 81 13.587 -6.450 -6.478 1.00 0.00 C ATOM 1334 NE ARG A 81 12.284 -6.467 -7.136 1.00 0.00 N ATOM 1335 CZ ARG A 81 11.491 -5.405 -7.224 1.00 0.00 C ATOM 1336 NH1 ARG A 81 11.867 -4.247 -6.698 1.00 0.00 N ATOM 1337 NH2 ARG A 81 10.319 -5.499 -7.839 1.00 0.00 N ATOM 0 H ARG A 81 15.143 -9.254 -3.375 1.00 0.00 H new ATOM 0 HA ARG A 81 15.915 -7.710 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 81 14.688 -6.593 -3.215 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.317 -5.639 -4.544 1.00 0.00 H new ATOM 0 HG2 ARG A 81 12.983 -7.577 -4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.831 -5.842 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.090 -5.507 -6.694 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.210 -7.245 -6.888 1.00 0.00 H new ATOM 0 HE ARG A 81 11.965 -7.342 -7.551 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.767 -4.170 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.256 -3.433 -6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.026 -6.388 -8.245 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.711 -4.683 -7.906 1.00 0.00 H new ATOM 1351 N LYS A 82 17.861 -6.589 -4.387 1.00 0.00 N ATOM 1352 CA LYS A 82 19.171 -6.343 -3.796 1.00 0.00 C ATOM 1353 C LYS A 82 19.470 -4.848 -3.739 1.00 0.00 C ATOM 1354 O LYS A 82 19.557 -4.185 -4.772 1.00 0.00 O ATOM 1355 CB LYS A 82 20.259 -7.062 -4.596 1.00 0.00 C ATOM 1356 CG LYS A 82 20.466 -6.491 -5.989 1.00 0.00 C ATOM 1357 CD LYS A 82 21.324 -7.408 -6.845 1.00 0.00 C ATOM 1358 CE LYS A 82 22.791 -7.328 -6.449 1.00 0.00 C ATOM 1359 NZ LYS A 82 23.500 -6.230 -7.164 1.00 0.00 N ATOM 0 H LYS A 82 17.598 -5.929 -5.119 1.00 0.00 H new ATOM 0 HA LYS A 82 19.161 -6.733 -2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.199 -7.007 -4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.000 -8.117 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.499 -6.342 -6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.939 -5.512 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.974 -8.435 -6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.214 -7.136 -7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.869 -7.170 -5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.279 -8.278 -6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 24.496 -6.209 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.448 -6.393 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 23.051 -5.320 -6.935 1.00 0.00 H new ATOM 1373 N GLU A 83 19.628 -4.326 -2.527 1.00 0.00 N ATOM 1374 CA GLU A 83 19.918 -2.909 -2.338 1.00 0.00 C ATOM 1375 C GLU A 83 21.423 -2.658 -2.335 1.00 0.00 C ATOM 1376 O GLU A 83 21.934 -1.899 -1.513 1.00 0.00 O ATOM 1377 CB GLU A 83 19.303 -2.410 -1.029 1.00 0.00 C ATOM 1378 CG GLU A 83 19.268 -0.896 -0.912 1.00 0.00 C ATOM 1379 CD GLU A 83 18.490 -0.241 -2.037 1.00 0.00 C ATOM 1380 OE1 GLU A 83 17.249 -0.379 -2.058 1.00 0.00 O ATOM 1381 OE2 GLU A 83 19.122 0.409 -2.896 1.00 0.00 O ATOM 0 H GLU A 83 19.560 -4.862 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 83 19.477 -2.360 -3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 83 18.287 -2.796 -0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 83 19.870 -2.818 -0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 83 18.821 -0.620 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.288 -0.512 -0.909 1.00 0.00 H new ATOM 1388 N GLY A 84 22.127 -3.303 -3.260 1.00 0.00 N ATOM 1389 CA GLY A 84 23.566 -3.137 -3.346 1.00 0.00 C ATOM 1390 C GLY A 84 24.312 -4.030 -2.374 1.00 0.00 C ATOM 1391 O GLY A 84 23.986 -5.209 -2.228 1.00 0.00 O ATOM 0 H GLY A 84 21.727 -3.937 -3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 84 23.894 -3.357 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 84 23.821 -2.096 -3.147 1.00 0.00 H new ATOM 1395 N LEU A 85 25.316 -3.470 -1.709 1.00 0.00 N ATOM 1396 CA LEU A 85 26.112 -4.225 -0.747 1.00 0.00 C ATOM 1397 C LEU A 85 26.507 -3.350 0.438 1.00 0.00 C ATOM 1398 O LEU A 85 26.961 -2.218 0.264 1.00 0.00 O ATOM 1399 CB LEU A 85 27.365 -4.786 -1.421 1.00 0.00 C ATOM 1400 CG LEU A 85 27.178 -6.082 -2.211 1.00 0.00 C ATOM 1401 CD1 LEU A 85 28.415 -6.382 -3.044 1.00 0.00 C ATOM 1402 CD2 LEU A 85 26.872 -7.240 -1.272 1.00 0.00 C ATOM 0 H LEU A 85 25.599 -2.496 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 85 25.504 -5.051 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 85 27.762 -4.027 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 85 28.120 -4.957 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 85 26.332 -5.955 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 85 28.264 -7.308 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 85 28.590 -5.564 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 85 29.278 -6.490 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 85 26.742 -8.154 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 85 27.697 -7.369 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 85 25.957 -7.028 -0.719 1.00 0.00 H new ATOM 1414 N LYS A 86 26.332 -3.881 1.643 1.00 0.00 N ATOM 1415 CA LYS A 86 26.673 -3.151 2.858 1.00 0.00 C ATOM 1416 C LYS A 86 28.147 -2.756 2.861 1.00 0.00 C ATOM 1417 O LYS A 86 29.000 -3.507 3.335 1.00 0.00 O ATOM 1418 CB LYS A 86 26.360 -4.000 4.093 1.00 0.00 C ATOM 1419 CG LYS A 86 26.503 -3.244 5.403 1.00 0.00 C ATOM 1420 CD LYS A 86 25.368 -2.254 5.602 1.00 0.00 C ATOM 1421 CE LYS A 86 24.174 -2.904 6.283 1.00 0.00 C ATOM 1422 NZ LYS A 86 23.213 -1.893 6.802 1.00 0.00 N ATOM 0 H LYS A 86 25.956 -4.815 1.804 1.00 0.00 H new ATOM 0 HA LYS A 86 26.071 -2.243 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 86 25.342 -4.382 4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 86 27.024 -4.864 4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 86 26.520 -3.951 6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 86 27.456 -2.714 5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 86 25.718 -1.414 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 86 25.062 -1.851 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 86 23.665 -3.559 5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 86 24.521 -3.530 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 22.414 -2.376 7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 23.691 -1.283 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 22.862 -1.312 6.014 1.00 0.00 H new ATOM 1436 N ASP A 87 28.439 -1.574 2.330 1.00 0.00 N ATOM 1437 CA ASP A 87 29.809 -1.079 2.273 1.00 0.00 C ATOM 1438 C ASP A 87 29.977 0.156 3.152 1.00 0.00 C ATOM 1439 O ASP A 87 29.008 0.667 3.713 1.00 0.00 O ATOM 1440 CB ASP A 87 30.196 -0.750 0.830 1.00 0.00 C ATOM 1441 CG ASP A 87 29.441 0.448 0.287 1.00 0.00 C ATOM 1442 OD1 ASP A 87 28.326 0.719 0.781 1.00 0.00 O ATOM 1443 OD2 ASP A 87 29.964 1.113 -0.631 1.00 0.00 O ATOM 0 H ASP A 87 27.745 -0.941 1.933 1.00 0.00 H new ATOM 0 HA ASP A 87 30.468 -1.862 2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 87 31.267 -0.554 0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 87 30.000 -1.616 0.198 1.00 0.00 H new ATOM 1448 N GLU A 88 31.214 0.630 3.268 1.00 0.00 N ATOM 1449 CA GLU A 88 31.508 1.804 4.081 1.00 0.00 C ATOM 1450 C GLU A 88 30.952 3.068 3.433 1.00 0.00 C ATOM 1451 O GLU A 88 31.259 4.182 3.857 1.00 0.00 O ATOM 1452 CB GLU A 88 33.018 1.945 4.286 1.00 0.00 C ATOM 1453 CG GLU A 88 33.566 1.066 5.398 1.00 0.00 C ATOM 1454 CD GLU A 88 34.949 1.493 5.851 1.00 0.00 C ATOM 1455 OE1 GLU A 88 35.069 2.585 6.443 1.00 0.00 O ATOM 1456 OE2 GLU A 88 35.911 0.733 5.613 1.00 0.00 O ATOM 0 H GLU A 88 32.027 0.219 2.810 1.00 0.00 H new ATOM 0 HA GLU A 88 31.028 1.672 5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 88 33.527 1.698 3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 88 33.250 2.986 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 88 32.884 1.095 6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 88 33.603 0.032 5.054 1.00 0.00 H new TER 1463 GLU A 88