USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=20 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 Set 1.1: A 58 SER OG : rot -49:sc= 0.113 USER MOD Set 1.2: A 59 HIS :FLIP no HD1:sc= -2.5! C(o=-5!,f=-2.4!) 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0237 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+ 175:sc= 0 (180deg=-0.0105) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.076) USER MOD Single : A 19 THR OG1 : rot 7:sc= 0.131 USER MOD Single : A 31 TYR OH : rot 85:sc= 1.38 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 SER OG : rot 3:sc= 0.496 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= 1.64 (180deg=1.46) USER MOD Single : A 50 MET CE :methyl 168:sc= -0.828 (180deg=-0.979) USER MOD Single : A 53 HIS : +bothHN:sc= -4.48! C(o=-4.5!,f=-6.7!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 159:sc= -0.799 USER MOD Single : A 70 ASN : amide:sc= -1.06! C(o=-1.1!,f=-1.2!) USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= -0.16 (180deg=-0.835) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.645 10.733 19.908 1.00 0.00 N ATOM 2 CA GLY A 1 -13.562 11.416 20.592 1.00 0.00 C ATOM 3 C GLY A 1 -12.666 10.462 21.356 1.00 0.00 C ATOM 4 O GLY A 1 -13.061 9.922 22.389 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.229 11.429 19.401 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.251 10.051 19.229 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.232 10.230 20.603 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.965 11.965 19.864 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.978 12.150 21.282 1.00 0.00 H new ATOM 8 N SER A 2 -11.457 10.252 20.846 1.00 0.00 N ATOM 9 CA SER A 2 -10.503 9.352 21.485 1.00 0.00 C ATOM 10 C SER A 2 -9.081 9.891 21.362 1.00 0.00 C ATOM 11 O SER A 2 -8.545 10.014 20.261 1.00 0.00 O ATOM 12 CB SER A 2 -10.588 7.959 20.859 1.00 0.00 C ATOM 13 OG SER A 2 -11.898 7.430 20.969 1.00 0.00 O ATOM 0 H SER A 2 -11.114 10.693 19.992 1.00 0.00 H new ATOM 0 HA SER A 2 -10.757 9.284 22.543 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.300 8.010 19.809 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.880 7.292 21.351 1.00 0.00 H new ATOM 0 HG SER A 2 -11.927 6.540 20.560 1.00 0.00 H new ATOM 19 N SER A 3 -8.477 10.212 22.502 1.00 0.00 N ATOM 20 CA SER A 3 -7.118 10.741 22.524 1.00 0.00 C ATOM 21 C SER A 3 -6.268 10.103 21.429 1.00 0.00 C ATOM 22 O SER A 3 -5.839 8.956 21.550 1.00 0.00 O ATOM 23 CB SER A 3 -6.475 10.499 23.891 1.00 0.00 C ATOM 24 OG SER A 3 -5.521 11.502 24.190 1.00 0.00 O ATOM 0 H SER A 3 -8.907 10.115 23.422 1.00 0.00 H new ATOM 0 HA SER A 3 -7.170 11.814 22.340 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.246 10.485 24.662 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.995 9.521 23.902 1.00 0.00 H new ATOM 0 HG SER A 3 -5.126 11.326 25.069 1.00 0.00 H new ATOM 30 N GLY A 4 -6.029 10.855 20.359 1.00 0.00 N ATOM 31 CA GLY A 4 -5.232 10.347 19.258 1.00 0.00 C ATOM 32 C GLY A 4 -3.744 10.491 19.505 1.00 0.00 C ATOM 33 O GLY A 4 -3.252 11.593 19.749 1.00 0.00 O ATOM 0 H GLY A 4 -6.373 11.807 20.235 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.470 9.296 19.096 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.499 10.879 18.345 1.00 0.00 H new ATOM 37 N SER A 5 -3.024 9.376 19.443 1.00 0.00 N ATOM 38 CA SER A 5 -1.583 9.382 19.667 1.00 0.00 C ATOM 39 C SER A 5 -0.945 10.629 19.062 1.00 0.00 C ATOM 40 O SER A 5 -1.050 10.873 17.860 1.00 0.00 O ATOM 41 CB SER A 5 -0.947 8.127 19.066 1.00 0.00 C ATOM 42 OG SER A 5 0.427 8.041 19.401 1.00 0.00 O ATOM 0 H SER A 5 -3.415 8.456 19.239 1.00 0.00 H new ATOM 0 HA SER A 5 -1.407 9.390 20.743 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.469 7.242 19.429 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.060 8.142 17.982 1.00 0.00 H new ATOM 0 HG SER A 5 0.810 7.230 19.007 1.00 0.00 H new ATOM 48 N SER A 6 -0.282 11.414 19.905 1.00 0.00 N ATOM 49 CA SER A 6 0.371 12.638 19.456 1.00 0.00 C ATOM 50 C SER A 6 1.359 12.346 18.331 1.00 0.00 C ATOM 51 O SER A 6 1.872 11.234 18.213 1.00 0.00 O ATOM 52 CB SER A 6 1.095 13.313 20.623 1.00 0.00 C ATOM 53 OG SER A 6 1.848 14.429 20.179 1.00 0.00 O ATOM 0 H SER A 6 -0.183 11.224 20.902 1.00 0.00 H new ATOM 0 HA SER A 6 -0.397 13.311 19.076 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.368 13.634 21.369 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.755 12.595 21.110 1.00 0.00 H new ATOM 0 HG SER A 6 2.300 14.844 20.943 1.00 0.00 H new ATOM 59 N GLY A 7 1.621 13.354 17.504 1.00 0.00 N ATOM 60 CA GLY A 7 2.546 13.186 16.399 1.00 0.00 C ATOM 61 C GLY A 7 2.056 13.849 15.127 1.00 0.00 C ATOM 62 O GLY A 7 1.245 14.773 15.174 1.00 0.00 O ATOM 0 H GLY A 7 1.209 14.284 17.580 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.515 13.604 16.673 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.698 12.122 16.215 1.00 0.00 H new ATOM 66 N MET A 8 2.551 13.377 13.987 1.00 0.00 N ATOM 67 CA MET A 8 2.158 13.931 12.697 1.00 0.00 C ATOM 68 C MET A 8 1.451 12.880 11.846 1.00 0.00 C ATOM 69 O MET A 8 2.096 12.057 11.197 1.00 0.00 O ATOM 70 CB MET A 8 3.383 14.466 11.953 1.00 0.00 C ATOM 71 CG MET A 8 4.117 15.566 12.703 1.00 0.00 C ATOM 72 SD MET A 8 5.731 15.935 11.990 1.00 0.00 S ATOM 73 CE MET A 8 5.804 17.710 12.215 1.00 0.00 C ATOM 0 H MET A 8 3.224 12.613 13.931 1.00 0.00 H new ATOM 0 HA MET A 8 1.465 14.752 12.879 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.072 13.643 11.766 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.070 14.847 10.981 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.508 16.470 12.701 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.243 15.269 13.744 1.00 0.00 H new ATOM 0 HE1 MET A 8 6.748 18.088 11.822 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.976 18.179 11.683 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.733 17.945 13.277 1.00 0.00 H new ATOM 83 N SER A 9 0.122 12.914 11.856 1.00 0.00 N ATOM 84 CA SER A 9 -0.672 11.962 11.088 1.00 0.00 C ATOM 85 C SER A 9 -0.053 11.720 9.715 1.00 0.00 C ATOM 86 O SER A 9 0.125 10.577 9.293 1.00 0.00 O ATOM 87 CB SER A 9 -2.106 12.471 10.931 1.00 0.00 C ATOM 88 OG SER A 9 -2.865 12.226 12.103 1.00 0.00 O ATOM 0 H SER A 9 -0.427 13.590 12.387 1.00 0.00 H new ATOM 0 HA SER A 9 -0.687 11.017 11.632 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.095 13.540 10.718 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.578 11.981 10.079 1.00 0.00 H new ATOM 0 HG SER A 9 -3.777 12.562 11.978 1.00 0.00 H new ATOM 94 N LYS A 10 0.274 12.805 9.021 1.00 0.00 N ATOM 95 CA LYS A 10 0.875 12.714 7.696 1.00 0.00 C ATOM 96 C LYS A 10 1.834 11.531 7.613 1.00 0.00 C ATOM 97 O LYS A 10 1.525 10.509 7.001 1.00 0.00 O ATOM 98 CB LYS A 10 1.616 14.010 7.359 1.00 0.00 C ATOM 99 CG LYS A 10 0.740 15.249 7.435 1.00 0.00 C ATOM 100 CD LYS A 10 -0.318 15.250 6.345 1.00 0.00 C ATOM 101 CE LYS A 10 -1.502 16.130 6.718 1.00 0.00 C ATOM 102 NZ LYS A 10 -1.106 17.557 6.869 1.00 0.00 N ATOM 0 H LYS A 10 0.133 13.758 9.355 1.00 0.00 H new ATOM 0 HA LYS A 10 0.075 12.561 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.456 14.127 8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.032 13.930 6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.258 15.296 8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.360 16.141 7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.120 15.604 5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.662 14.231 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.273 16.046 5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.940 15.774 7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.953 18.136 7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.453 17.653 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.635 17.880 6.000 1.00 0.00 H new ATOM 116 N LYS A 11 3.000 11.676 8.234 1.00 0.00 N ATOM 117 CA LYS A 11 4.004 10.619 8.234 1.00 0.00 C ATOM 118 C LYS A 11 3.414 9.307 8.742 1.00 0.00 C ATOM 119 O LYS A 11 2.451 9.288 9.508 1.00 0.00 O ATOM 120 CB LYS A 11 5.199 11.022 9.100 1.00 0.00 C ATOM 121 CG LYS A 11 5.935 12.249 8.589 1.00 0.00 C ATOM 122 CD LYS A 11 7.144 12.574 9.451 1.00 0.00 C ATOM 123 CE LYS A 11 8.393 11.867 8.948 1.00 0.00 C ATOM 124 NZ LYS A 11 9.458 11.817 9.988 1.00 0.00 N ATOM 0 H LYS A 11 3.273 12.516 8.744 1.00 0.00 H new ATOM 0 HA LYS A 11 4.340 10.472 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.853 11.213 10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.897 10.186 9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.255 12.080 7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.257 13.102 8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.311 13.651 9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.947 12.279 10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.138 10.853 8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.771 12.382 8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.293 11.328 9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.720 12.785 10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.106 11.303 10.821 1.00 0.00 H new ATOM 138 N PRO A 12 4.005 8.184 8.308 1.00 0.00 N ATOM 139 CA PRO A 12 3.555 6.848 8.708 1.00 0.00 C ATOM 140 C PRO A 12 3.849 6.552 10.175 1.00 0.00 C ATOM 141 O PRO A 12 5.001 6.407 10.585 1.00 0.00 O ATOM 142 CB PRO A 12 4.363 5.915 7.802 1.00 0.00 C ATOM 143 CG PRO A 12 5.585 6.692 7.453 1.00 0.00 C ATOM 144 CD PRO A 12 5.157 8.132 7.393 1.00 0.00 C ATOM 0 HA PRO A 12 2.476 6.734 8.606 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.617 4.987 8.315 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.799 5.643 6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.366 6.548 8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.995 6.366 6.497 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.955 8.802 7.713 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.880 8.427 6.381 1.00 0.00 H new ATOM 152 N PRO A 13 2.785 6.460 10.986 1.00 0.00 N ATOM 153 CA PRO A 13 2.904 6.180 12.420 1.00 0.00 C ATOM 154 C PRO A 13 3.360 4.752 12.696 1.00 0.00 C ATOM 155 O PRO A 13 3.481 3.941 11.778 1.00 0.00 O ATOM 156 CB PRO A 13 1.482 6.398 12.944 1.00 0.00 C ATOM 157 CG PRO A 13 0.603 6.158 11.765 1.00 0.00 C ATOM 158 CD PRO A 13 1.383 6.623 10.566 1.00 0.00 C ATOM 0 HA PRO A 13 3.651 6.814 12.898 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.250 5.710 13.757 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.354 7.408 13.334 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.346 5.102 11.678 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.334 6.707 11.858 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.156 6.026 9.683 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.156 7.660 10.317 1.00 0.00 H new ATOM 166 N ASN A 14 3.612 4.450 13.965 1.00 0.00 N ATOM 167 CA ASN A 14 4.055 3.118 14.361 1.00 0.00 C ATOM 168 C ASN A 14 3.166 2.043 13.744 1.00 0.00 C ATOM 169 O ASN A 14 2.076 1.763 14.242 1.00 0.00 O ATOM 170 CB ASN A 14 4.048 2.988 15.886 1.00 0.00 C ATOM 171 CG ASN A 14 4.940 4.013 16.558 1.00 0.00 C ATOM 172 OD1 ASN A 14 4.464 5.028 17.067 1.00 0.00 O ATOM 173 ND2 ASN A 14 6.242 3.752 16.562 1.00 0.00 N ATOM 0 H ASN A 14 3.517 5.110 14.737 1.00 0.00 H new ATOM 0 HA ASN A 14 5.072 2.977 13.995 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.028 3.102 16.253 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.377 1.987 16.164 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.892 4.406 16.999 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.592 2.898 16.128 1.00 0.00 H new ATOM 180 N ARG A 15 3.640 1.444 12.656 1.00 0.00 N ATOM 181 CA ARG A 15 2.888 0.401 11.970 1.00 0.00 C ATOM 182 C ARG A 15 3.792 -0.776 11.614 1.00 0.00 C ATOM 183 O ARG A 15 4.529 -0.749 10.627 1.00 0.00 O ATOM 184 CB ARG A 15 2.238 0.960 10.703 1.00 0.00 C ATOM 185 CG ARG A 15 0.939 0.267 10.328 1.00 0.00 C ATOM 186 CD ARG A 15 -0.009 1.212 9.606 1.00 0.00 C ATOM 187 NE ARG A 15 -0.577 2.211 10.507 1.00 0.00 N ATOM 188 CZ ARG A 15 -1.444 1.922 11.471 1.00 0.00 C ATOM 189 NH1 ARG A 15 -1.840 0.671 11.659 1.00 0.00 N ATOM 190 NH2 ARG A 15 -1.917 2.887 12.250 1.00 0.00 N ATOM 0 H ARG A 15 4.541 1.663 12.231 1.00 0.00 H new ATOM 0 HA ARG A 15 2.108 0.047 12.644 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.045 2.024 10.843 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.940 0.870 9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.154 -0.591 9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.457 -0.116 11.227 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.524 1.714 8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.814 0.638 9.148 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.293 3.183 10.390 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.479 -0.073 11.062 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.506 0.453 12.400 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.615 3.851 12.108 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.583 2.665 12.990 1.00 0.00 H new ATOM 204 N PRO A 16 3.738 -1.834 12.436 1.00 0.00 N ATOM 205 CA PRO A 16 4.545 -3.040 12.228 1.00 0.00 C ATOM 206 C PRO A 16 4.092 -3.839 11.010 1.00 0.00 C ATOM 207 O PRO A 16 3.386 -4.838 11.139 1.00 0.00 O ATOM 208 CB PRO A 16 4.316 -3.845 13.510 1.00 0.00 C ATOM 209 CG PRO A 16 2.992 -3.385 14.015 1.00 0.00 C ATOM 210 CD PRO A 16 2.883 -1.936 13.630 1.00 0.00 C ATOM 0 HA PRO A 16 5.592 -2.802 12.038 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.313 -4.916 13.309 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.104 -3.660 14.240 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.183 -3.968 13.575 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.922 -3.508 15.096 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.853 -1.655 13.411 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.229 -1.281 14.429 1.00 0.00 H new ATOM 218 N GLY A 17 4.504 -3.391 9.828 1.00 0.00 N ATOM 219 CA GLY A 17 4.131 -4.076 8.604 1.00 0.00 C ATOM 220 C GLY A 17 3.960 -3.125 7.436 1.00 0.00 C ATOM 221 O GLY A 17 4.725 -3.172 6.472 1.00 0.00 O ATOM 0 H GLY A 17 5.089 -2.566 9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.894 -4.815 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.200 -4.620 8.765 1.00 0.00 H new ATOM 225 N ILE A 18 2.955 -2.260 7.521 1.00 0.00 N ATOM 226 CA ILE A 18 2.687 -1.295 6.463 1.00 0.00 C ATOM 227 C ILE A 18 3.659 -0.123 6.528 1.00 0.00 C ATOM 228 O ILE A 18 4.024 0.336 7.611 1.00 0.00 O ATOM 229 CB ILE A 18 1.246 -0.757 6.543 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.255 -1.913 6.700 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.917 0.064 5.306 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.177 -1.460 6.882 1.00 0.00 C ATOM 0 H ILE A 18 2.313 -2.208 8.312 1.00 0.00 H new ATOM 0 HA ILE A 18 2.818 -1.820 5.517 1.00 0.00 H new ATOM 0 HB ILE A 18 1.164 -0.110 7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.316 -2.555 5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.548 -2.518 7.558 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.105 0.437 5.378 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.606 0.905 5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.013 -0.561 4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.824 -2.331 6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.252 -0.842 7.777 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.488 -0.880 6.013 1.00 0.00 H new ATOM 244 N THR A 19 4.075 0.360 5.362 1.00 0.00 N ATOM 245 CA THR A 19 5.005 1.480 5.286 1.00 0.00 C ATOM 246 C THR A 19 4.711 2.358 4.075 1.00 0.00 C ATOM 247 O THR A 19 4.976 1.972 2.936 1.00 0.00 O ATOM 248 CB THR A 19 6.465 0.994 5.210 1.00 0.00 C ATOM 249 OG1 THR A 19 6.896 0.536 6.497 1.00 0.00 O ATOM 250 CG2 THR A 19 7.382 2.108 4.729 1.00 0.00 C ATOM 0 H THR A 19 3.782 -0.007 4.456 1.00 0.00 H new ATOM 0 HA THR A 19 4.871 2.064 6.196 1.00 0.00 H new ATOM 0 HB THR A 19 6.515 0.171 4.497 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.134 0.530 7.114 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.407 1.741 4.683 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.069 2.434 3.737 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.328 2.948 5.421 1.00 0.00 H new ATOM 258 N PHE A 20 4.161 3.541 4.327 1.00 0.00 N ATOM 259 CA PHE A 20 3.831 4.475 3.257 1.00 0.00 C ATOM 260 C PHE A 20 5.096 5.028 2.607 1.00 0.00 C ATOM 261 O PHE A 20 5.760 5.901 3.164 1.00 0.00 O ATOM 262 CB PHE A 20 2.978 5.624 3.799 1.00 0.00 C ATOM 263 CG PHE A 20 1.878 5.173 4.717 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.094 4.077 4.393 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.628 5.844 5.902 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.080 3.660 5.236 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.616 5.432 6.749 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.158 4.338 6.416 1.00 0.00 C ATOM 0 H PHE A 20 3.934 3.876 5.263 1.00 0.00 H new ATOM 0 HA PHE A 20 3.262 3.935 2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.622 6.323 4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.541 6.168 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.277 3.543 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.231 6.700 6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.525 2.805 4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.431 5.965 7.670 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.948 4.013 7.077 1.00 0.00 H new ATOM 278 N GLU A 21 5.422 4.511 1.427 1.00 0.00 N ATOM 279 CA GLU A 21 6.608 4.952 0.702 1.00 0.00 C ATOM 280 C GLU A 21 6.380 4.887 -0.805 1.00 0.00 C ATOM 281 O GLU A 21 5.301 4.513 -1.265 1.00 0.00 O ATOM 282 CB GLU A 21 7.815 4.093 1.084 1.00 0.00 C ATOM 283 CG GLU A 21 7.802 2.711 0.453 1.00 0.00 C ATOM 284 CD GLU A 21 9.183 2.088 0.384 1.00 0.00 C ATOM 285 OE1 GLU A 21 9.999 2.351 1.292 1.00 0.00 O ATOM 286 OE2 GLU A 21 9.447 1.337 -0.578 1.00 0.00 O ATOM 0 H GLU A 21 4.882 3.787 0.953 1.00 0.00 H new ATOM 0 HA GLU A 21 6.807 5.988 0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.727 4.610 0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.847 3.988 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.142 2.060 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.387 2.779 -0.553 1.00 0.00 H new ATOM 293 N ILE A 22 7.404 5.255 -1.569 1.00 0.00 N ATOM 294 CA ILE A 22 7.315 5.238 -3.024 1.00 0.00 C ATOM 295 C ILE A 22 7.678 3.865 -3.581 1.00 0.00 C ATOM 296 O ILE A 22 8.837 3.455 -3.543 1.00 0.00 O ATOM 297 CB ILE A 22 8.239 6.296 -3.656 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.760 7.704 -3.293 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.289 6.121 -5.166 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.282 7.919 -3.530 1.00 0.00 C ATOM 0 H ILE A 22 8.304 5.568 -1.205 1.00 0.00 H new ATOM 0 HA ILE A 22 6.281 5.470 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 22 9.246 6.161 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.983 7.896 -2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.323 8.432 -3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.946 6.876 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.671 5.128 -5.405 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.286 6.233 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.013 8.938 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.056 7.760 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.710 7.215 -2.926 1.00 0.00 H new ATOM 312 N GLY A 23 6.678 3.160 -4.099 1.00 0.00 N ATOM 313 CA GLY A 23 6.912 1.841 -4.658 1.00 0.00 C ATOM 314 C GLY A 23 6.629 0.732 -3.665 1.00 0.00 C ATOM 315 O GLY A 23 6.859 -0.443 -3.954 1.00 0.00 O ATOM 0 H GLY A 23 5.710 3.478 -4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.283 1.706 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.947 1.770 -4.992 1.00 0.00 H new ATOM 319 N ALA A 24 6.132 1.104 -2.490 1.00 0.00 N ATOM 320 CA ALA A 24 5.818 0.131 -1.451 1.00 0.00 C ATOM 321 C ALA A 24 4.690 -0.796 -1.889 1.00 0.00 C ATOM 322 O ALA A 24 3.691 -0.350 -2.455 1.00 0.00 O ATOM 323 CB ALA A 24 5.447 0.842 -0.158 1.00 0.00 C ATOM 0 H ALA A 24 5.938 2.072 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 24 6.706 -0.477 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.215 0.104 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.284 1.457 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.576 1.475 -0.328 1.00 0.00 H new ATOM 329 N ARG A 25 4.855 -2.088 -1.626 1.00 0.00 N ATOM 330 CA ARG A 25 3.851 -3.078 -1.995 1.00 0.00 C ATOM 331 C ARG A 25 2.956 -3.414 -0.806 1.00 0.00 C ATOM 332 O ARG A 25 3.417 -3.958 0.198 1.00 0.00 O ATOM 333 CB ARG A 25 4.525 -4.350 -2.515 1.00 0.00 C ATOM 334 CG ARG A 25 5.458 -4.107 -3.691 1.00 0.00 C ATOM 335 CD ARG A 25 6.415 -5.272 -3.892 1.00 0.00 C ATOM 336 NE ARG A 25 7.558 -4.904 -4.723 1.00 0.00 N ATOM 337 CZ ARG A 25 8.439 -5.781 -5.190 1.00 0.00 C ATOM 338 NH1 ARG A 25 8.309 -7.071 -4.909 1.00 0.00 N ATOM 339 NH2 ARG A 25 9.453 -5.369 -5.940 1.00 0.00 N ATOM 0 H ARG A 25 5.675 -2.474 -1.158 1.00 0.00 H new ATOM 0 HA ARG A 25 3.232 -2.654 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.089 -4.810 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.756 -5.063 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.871 -3.956 -4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.027 -3.192 -3.523 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.769 -5.621 -2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.883 -6.103 -4.355 1.00 0.00 H new ATOM 0 HE ARG A 25 7.687 -3.920 -4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.531 -7.392 -4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.987 -7.742 -5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.556 -4.378 -6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.129 -6.043 -6.298 1.00 0.00 H new ATOM 353 N LEU A 26 1.674 -3.088 -0.927 1.00 0.00 N ATOM 354 CA LEU A 26 0.713 -3.354 0.137 1.00 0.00 C ATOM 355 C LEU A 26 -0.667 -3.658 -0.438 1.00 0.00 C ATOM 356 O LEU A 26 -0.862 -3.635 -1.653 1.00 0.00 O ATOM 357 CB LEU A 26 0.630 -2.158 1.087 1.00 0.00 C ATOM 358 CG LEU A 26 0.489 -0.786 0.428 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.754 -0.430 -0.338 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.721 -0.758 -0.494 1.00 0.00 C ATOM 0 H LEU A 26 1.276 -2.639 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 26 1.055 -4.228 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.219 -2.307 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.526 -2.150 1.708 1.00 0.00 H new ATOM 0 HG LEU A 26 0.341 -0.042 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.636 0.550 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.601 -0.407 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.933 -1.177 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.805 0.227 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.604 -1.513 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.622 -0.968 0.082 1.00 0.00 H new ATOM 372 N GLU A 27 -1.621 -3.940 0.444 1.00 0.00 N ATOM 373 CA GLU A 27 -2.983 -4.247 0.022 1.00 0.00 C ATOM 374 C GLU A 27 -3.922 -3.084 0.329 1.00 0.00 C ATOM 375 O GLU A 27 -3.778 -2.408 1.347 1.00 0.00 O ATOM 376 CB GLU A 27 -3.482 -5.516 0.716 1.00 0.00 C ATOM 377 CG GLU A 27 -2.646 -6.747 0.407 1.00 0.00 C ATOM 378 CD GLU A 27 -3.055 -7.952 1.231 1.00 0.00 C ATOM 379 OE1 GLU A 27 -2.553 -8.092 2.366 1.00 0.00 O ATOM 380 OE2 GLU A 27 -3.877 -8.754 0.742 1.00 0.00 O ATOM 0 H GLU A 27 -1.476 -3.962 1.453 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.974 -4.410 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.488 -5.352 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.513 -5.703 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.738 -6.988 -0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.595 -6.524 0.593 1.00 0.00 H new ATOM 387 N ALA A 28 -4.884 -2.857 -0.560 1.00 0.00 N ATOM 388 CA ALA A 28 -5.848 -1.778 -0.384 1.00 0.00 C ATOM 389 C ALA A 28 -7.277 -2.311 -0.394 1.00 0.00 C ATOM 390 O ALA A 28 -7.610 -3.207 -1.171 1.00 0.00 O ATOM 391 CB ALA A 28 -5.667 -0.727 -1.469 1.00 0.00 C ATOM 0 H ALA A 28 -5.016 -3.406 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.667 -1.317 0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.393 0.073 -1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.659 -0.316 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.819 -1.184 -2.447 1.00 0.00 H new ATOM 397 N LEU A 29 -8.117 -1.755 0.472 1.00 0.00 N ATOM 398 CA LEU A 29 -9.511 -2.175 0.562 1.00 0.00 C ATOM 399 C LEU A 29 -10.372 -1.429 -0.452 1.00 0.00 C ATOM 400 O LEU A 29 -10.618 -0.231 -0.309 1.00 0.00 O ATOM 401 CB LEU A 29 -10.045 -1.936 1.976 1.00 0.00 C ATOM 402 CG LEU A 29 -11.400 -2.568 2.297 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.238 -4.047 2.612 1.00 0.00 C ATOM 404 CD2 LEU A 29 -12.065 -1.843 3.459 1.00 0.00 C ATOM 0 H LEU A 29 -7.857 -1.013 1.122 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.559 -3.240 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.312 -2.314 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.121 -0.861 2.137 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.041 -2.472 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.213 -4.480 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.805 -4.557 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.580 -4.166 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.028 -2.306 3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.427 -1.907 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.216 -0.796 3.196 1.00 0.00 H new ATOM 416 N ASP A 30 -10.828 -2.145 -1.473 1.00 0.00 N ATOM 417 CA ASP A 30 -11.664 -1.551 -2.510 1.00 0.00 C ATOM 418 C ASP A 30 -13.094 -1.363 -2.013 1.00 0.00 C ATOM 419 O ASP A 30 -13.498 -1.957 -1.013 1.00 0.00 O ATOM 420 CB ASP A 30 -11.658 -2.427 -3.764 1.00 0.00 C ATOM 421 CG ASP A 30 -11.902 -3.890 -3.449 1.00 0.00 C ATOM 422 OD1 ASP A 30 -13.026 -4.226 -3.021 1.00 0.00 O ATOM 423 OD2 ASP A 30 -10.968 -4.699 -3.632 1.00 0.00 O ATOM 0 H ASP A 30 -10.633 -3.137 -1.605 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.253 -0.573 -2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.425 -2.074 -4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.699 -2.323 -4.272 1.00 0.00 H new ATOM 428 N TYR A 31 -13.855 -0.532 -2.717 1.00 0.00 N ATOM 429 CA TYR A 31 -15.239 -0.262 -2.345 1.00 0.00 C ATOM 430 C TYR A 31 -15.988 -1.560 -2.058 1.00 0.00 C ATOM 431 O TYR A 31 -16.934 -1.583 -1.269 1.00 0.00 O ATOM 432 CB TYR A 31 -15.946 0.513 -3.458 1.00 0.00 C ATOM 433 CG TYR A 31 -15.541 0.080 -4.849 1.00 0.00 C ATOM 434 CD1 TYR A 31 -14.397 0.591 -5.450 1.00 0.00 C ATOM 435 CD2 TYR A 31 -16.302 -0.837 -5.562 1.00 0.00 C ATOM 436 CE1 TYR A 31 -14.022 0.199 -6.721 1.00 0.00 C ATOM 437 CE2 TYR A 31 -15.934 -1.236 -6.833 1.00 0.00 C ATOM 438 CZ TYR A 31 -14.794 -0.714 -7.408 1.00 0.00 C ATOM 439 OH TYR A 31 -14.426 -1.107 -8.674 1.00 0.00 O ATOM 0 H TYR A 31 -13.537 -0.034 -3.548 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.234 0.342 -1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.023 0.390 -3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.733 1.576 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -13.791 1.307 -4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -17.197 -1.245 -5.116 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.130 0.605 -7.174 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -16.535 -1.952 -7.373 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.779 -1.840 -8.614 1.00 0.00 H new ATOM 449 N LEU A 32 -15.559 -2.638 -2.703 1.00 0.00 N ATOM 450 CA LEU A 32 -16.188 -3.942 -2.518 1.00 0.00 C ATOM 451 C LEU A 32 -15.637 -4.641 -1.279 1.00 0.00 C ATOM 452 O LEU A 32 -15.746 -5.859 -1.143 1.00 0.00 O ATOM 453 CB LEU A 32 -15.966 -4.817 -3.753 1.00 0.00 C ATOM 454 CG LEU A 32 -16.446 -4.236 -5.083 1.00 0.00 C ATOM 455 CD1 LEU A 32 -15.992 -5.109 -6.242 1.00 0.00 C ATOM 456 CD2 LEU A 32 -17.960 -4.088 -5.085 1.00 0.00 C ATOM 0 H LEU A 32 -14.778 -2.636 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.258 -3.786 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.900 -5.029 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.470 -5.770 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.004 -3.247 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.343 -4.680 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.903 -5.163 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.404 -6.112 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.284 -3.673 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -18.421 -5.065 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.261 -3.420 -4.278 1.00 0.00 H new ATOM 468 N GLN A 33 -15.047 -3.861 -0.379 1.00 0.00 N ATOM 469 CA GLN A 33 -14.481 -4.406 0.849 1.00 0.00 C ATOM 470 C GLN A 33 -13.611 -5.623 0.554 1.00 0.00 C ATOM 471 O GLN A 33 -13.481 -6.523 1.385 1.00 0.00 O ATOM 472 CB GLN A 33 -15.596 -4.786 1.825 1.00 0.00 C ATOM 473 CG GLN A 33 -16.502 -3.623 2.196 1.00 0.00 C ATOM 474 CD GLN A 33 -17.330 -3.900 3.435 1.00 0.00 C ATOM 475 OE1 GLN A 33 -17.304 -5.004 3.979 1.00 0.00 O ATOM 476 NE2 GLN A 33 -18.071 -2.896 3.889 1.00 0.00 N ATOM 0 H GLN A 33 -14.949 -2.851 -0.477 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.856 -3.637 1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.199 -5.579 1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.150 -5.192 2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.895 -2.733 2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.167 -3.405 1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.062 -1.997 3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.649 -3.024 4.720 1.00 0.00 H new ATOM 485 N LYS A 34 -13.016 -5.646 -0.634 1.00 0.00 N ATOM 486 CA LYS A 34 -12.157 -6.752 -1.039 1.00 0.00 C ATOM 487 C LYS A 34 -10.686 -6.364 -0.936 1.00 0.00 C ATOM 488 O LYS A 34 -10.305 -5.243 -1.274 1.00 0.00 O ATOM 489 CB LYS A 34 -12.484 -7.179 -2.472 1.00 0.00 C ATOM 490 CG LYS A 34 -13.901 -7.698 -2.644 1.00 0.00 C ATOM 491 CD LYS A 34 -13.986 -8.730 -3.756 1.00 0.00 C ATOM 492 CE LYS A 34 -15.411 -8.886 -4.264 1.00 0.00 C ATOM 493 NZ LYS A 34 -15.460 -9.610 -5.565 1.00 0.00 N ATOM 0 H LYS A 34 -13.113 -4.910 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.341 -7.589 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.334 -6.330 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.782 -7.954 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.243 -8.141 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.570 -6.866 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.336 -8.434 -4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.621 -9.690 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.003 -9.426 -3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.865 -7.902 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.448 -9.696 -5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.916 -9.082 -6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.050 -10.559 -5.450 1.00 0.00 H new ATOM 507 N TRP A 35 -9.865 -7.297 -0.469 1.00 0.00 N ATOM 508 CA TRP A 35 -8.434 -7.053 -0.323 1.00 0.00 C ATOM 509 C TRP A 35 -7.680 -7.466 -1.582 1.00 0.00 C ATOM 510 O TRP A 35 -7.924 -8.535 -2.141 1.00 0.00 O ATOM 511 CB TRP A 35 -7.887 -7.812 0.886 1.00 0.00 C ATOM 512 CG TRP A 35 -8.453 -7.339 2.191 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.280 -8.035 3.026 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.235 -6.066 2.808 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.589 -7.270 4.125 1.00 0.00 N ATOM 516 CE2 TRP A 35 -8.960 -6.059 4.016 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.496 -4.932 2.460 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -8.967 -4.961 4.873 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.505 -3.843 3.311 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.236 -3.865 4.507 1.00 0.00 C ATOM 0 H TRP A 35 -10.165 -8.230 -0.185 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.287 -5.984 -0.169 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.104 -8.874 0.768 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.802 -7.709 0.910 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.638 -9.038 2.849 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.190 -7.558 4.897 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.928 -4.907 1.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.530 -4.975 5.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.940 -2.961 3.050 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.221 -2.999 5.152 1.00 0.00 H new ATOM 531 N TYR A 36 -6.763 -6.612 -2.024 1.00 0.00 N ATOM 532 CA TYR A 36 -5.975 -6.888 -3.220 1.00 0.00 C ATOM 533 C TYR A 36 -4.621 -6.188 -3.153 1.00 0.00 C ATOM 534 O TYR A 36 -4.450 -5.175 -2.475 1.00 0.00 O ATOM 535 CB TYR A 36 -6.733 -6.441 -4.471 1.00 0.00 C ATOM 536 CG TYR A 36 -7.942 -7.293 -4.783 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.818 -8.662 -4.986 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.209 -6.729 -4.876 1.00 0.00 C ATOM 539 CE1 TYR A 36 -8.920 -9.444 -5.273 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.316 -7.504 -5.161 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.167 -8.860 -5.359 1.00 0.00 C ATOM 542 OH TYR A 36 -11.267 -9.636 -5.643 1.00 0.00 O ATOM 0 H TYR A 36 -6.547 -5.723 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.805 -7.963 -3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.051 -5.407 -4.342 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.054 -6.462 -5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.843 -9.123 -4.918 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.330 -5.667 -4.723 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.806 -10.507 -5.429 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.294 -7.050 -5.228 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.126 -10.542 -5.297 1.00 0.00 H new ATOM 552 N PRO A 37 -3.635 -6.739 -3.876 1.00 0.00 N ATOM 553 CA PRO A 37 -2.279 -6.184 -3.918 1.00 0.00 C ATOM 554 C PRO A 37 -2.219 -4.857 -4.667 1.00 0.00 C ATOM 555 O PRO A 37 -2.908 -4.667 -5.669 1.00 0.00 O ATOM 556 CB PRO A 37 -1.480 -7.256 -4.664 1.00 0.00 C ATOM 557 CG PRO A 37 -2.488 -7.968 -5.497 1.00 0.00 C ATOM 558 CD PRO A 37 -3.768 -7.947 -4.708 1.00 0.00 C ATOM 0 HA PRO A 37 -1.897 -5.965 -2.921 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.700 -6.810 -5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.987 -7.937 -3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.616 -7.475 -6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.173 -8.991 -5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.641 -7.893 -5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.880 -8.844 -4.099 1.00 0.00 H new ATOM 566 N SER A 38 -1.389 -3.942 -4.175 1.00 0.00 N ATOM 567 CA SER A 38 -1.242 -2.631 -4.796 1.00 0.00 C ATOM 568 C SER A 38 0.122 -2.027 -4.473 1.00 0.00 C ATOM 569 O SER A 38 0.888 -2.583 -3.685 1.00 0.00 O ATOM 570 CB SER A 38 -2.353 -1.692 -4.324 1.00 0.00 C ATOM 571 OG SER A 38 -3.620 -2.130 -4.781 1.00 0.00 O ATOM 0 H SER A 38 -0.809 -4.085 -3.349 1.00 0.00 H new ATOM 0 HA SER A 38 -1.318 -2.757 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.353 -1.642 -3.235 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.160 -0.683 -4.689 1.00 0.00 H new ATOM 0 HG SER A 38 -3.518 -2.975 -5.267 1.00 0.00 H new ATOM 577 N ARG A 39 0.417 -0.887 -5.087 1.00 0.00 N ATOM 578 CA ARG A 39 1.688 -0.207 -4.867 1.00 0.00 C ATOM 579 C ARG A 39 1.489 1.303 -4.781 1.00 0.00 C ATOM 580 O ARG A 39 0.445 1.825 -5.172 1.00 0.00 O ATOM 581 CB ARG A 39 2.670 -0.539 -5.992 1.00 0.00 C ATOM 582 CG ARG A 39 3.539 -1.753 -5.704 1.00 0.00 C ATOM 583 CD ARG A 39 4.707 -1.845 -6.674 1.00 0.00 C ATOM 584 NE ARG A 39 5.117 -3.227 -6.907 1.00 0.00 N ATOM 585 CZ ARG A 39 4.505 -4.041 -7.759 1.00 0.00 C ATOM 586 NH1 ARG A 39 3.461 -3.614 -8.456 1.00 0.00 N ATOM 587 NH2 ARG A 39 4.938 -5.286 -7.916 1.00 0.00 N ATOM 0 H ARG A 39 -0.207 -0.414 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 39 2.099 -0.557 -3.920 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.111 -0.713 -6.911 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.313 0.324 -6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.916 -1.698 -4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.936 -2.658 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.428 -1.385 -7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.551 -1.278 -6.280 1.00 0.00 H new ATOM 0 HE ARG A 39 5.917 -3.587 -6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.126 -2.658 -8.338 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.993 -4.242 -9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.741 -5.618 -7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.467 -5.911 -8.571 1.00 0.00 H new ATOM 601 N ILE A 40 2.497 1.999 -4.266 1.00 0.00 N ATOM 602 CA ILE A 40 2.433 3.448 -4.129 1.00 0.00 C ATOM 603 C ILE A 40 3.245 4.140 -5.218 1.00 0.00 C ATOM 604 O ILE A 40 4.475 4.148 -5.178 1.00 0.00 O ATOM 605 CB ILE A 40 2.947 3.907 -2.751 1.00 0.00 C ATOM 606 CG1 ILE A 40 1.926 3.570 -1.663 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.241 5.400 -2.765 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.499 3.608 -0.264 1.00 0.00 C ATOM 0 H ILE A 40 3.368 1.582 -3.937 1.00 0.00 H new ATOM 0 HA ILE A 40 1.384 3.728 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 40 3.873 3.376 -2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.095 4.273 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.519 2.577 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.603 5.709 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.001 5.614 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.330 5.948 -3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.719 3.359 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.311 2.885 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.881 4.607 -0.054 1.00 0.00 H new ATOM 620 N GLU A 41 2.548 4.722 -6.189 1.00 0.00 N ATOM 621 CA GLU A 41 3.206 5.417 -7.289 1.00 0.00 C ATOM 622 C GLU A 41 3.753 6.766 -6.830 1.00 0.00 C ATOM 623 O GLU A 41 4.916 7.091 -7.069 1.00 0.00 O ATOM 624 CB GLU A 41 2.230 5.619 -8.451 1.00 0.00 C ATOM 625 CG GLU A 41 2.078 4.394 -9.337 1.00 0.00 C ATOM 626 CD GLU A 41 3.253 4.206 -10.278 1.00 0.00 C ATOM 627 OE1 GLU A 41 4.352 4.707 -9.962 1.00 0.00 O ATOM 628 OE2 GLU A 41 3.072 3.556 -11.329 1.00 0.00 O ATOM 0 H GLU A 41 1.529 4.726 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 41 4.040 4.802 -7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.253 5.891 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.570 6.457 -9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.973 3.508 -8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.161 4.483 -9.920 1.00 0.00 H new ATOM 635 N LYS A 42 2.905 7.548 -6.171 1.00 0.00 N ATOM 636 CA LYS A 42 3.301 8.862 -5.677 1.00 0.00 C ATOM 637 C LYS A 42 2.684 9.138 -4.310 1.00 0.00 C ATOM 638 O LYS A 42 1.692 8.516 -3.929 1.00 0.00 O ATOM 639 CB LYS A 42 2.880 9.950 -6.667 1.00 0.00 C ATOM 640 CG LYS A 42 3.755 10.016 -7.907 1.00 0.00 C ATOM 641 CD LYS A 42 3.055 10.739 -9.046 1.00 0.00 C ATOM 642 CE LYS A 42 3.639 10.350 -10.396 1.00 0.00 C ATOM 643 NZ LYS A 42 4.958 10.998 -10.636 1.00 0.00 N ATOM 0 H LYS A 42 1.938 7.295 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 42 4.386 8.872 -5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.848 9.774 -6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.904 10.917 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.687 10.528 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.017 9.006 -8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.991 10.504 -9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.147 11.816 -8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.752 9.267 -10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.945 10.634 -11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.323 10.708 -11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.846 12.032 -10.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.628 10.707 -9.895 1.00 0.00 H new ATOM 657 N ILE A 43 3.277 10.074 -3.577 1.00 0.00 N ATOM 658 CA ILE A 43 2.784 10.433 -2.253 1.00 0.00 C ATOM 659 C ILE A 43 2.740 11.947 -2.075 1.00 0.00 C ATOM 660 O ILE A 43 3.640 12.661 -2.517 1.00 0.00 O ATOM 661 CB ILE A 43 3.657 9.822 -1.141 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.570 8.295 -1.176 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.230 10.352 0.219 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.575 7.612 -0.275 1.00 0.00 C ATOM 0 H ILE A 43 4.099 10.597 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 43 1.774 10.030 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 43 4.694 10.112 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.565 7.990 -0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.721 7.954 -2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.856 9.911 0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.339 11.436 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.188 10.089 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.456 6.531 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.584 7.888 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.410 7.924 0.756 1.00 0.00 H new ATOM 676 N ASP A 44 1.688 12.430 -1.423 1.00 0.00 N ATOM 677 CA ASP A 44 1.527 13.859 -1.183 1.00 0.00 C ATOM 678 C ASP A 44 1.441 14.153 0.312 1.00 0.00 C ATOM 679 O ASP A 44 0.401 13.945 0.937 1.00 0.00 O ATOM 680 CB ASP A 44 0.275 14.380 -1.891 1.00 0.00 C ATOM 681 CG ASP A 44 0.301 15.883 -2.081 1.00 0.00 C ATOM 682 OD1 ASP A 44 0.915 16.578 -1.244 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.293 16.366 -3.068 1.00 0.00 O ATOM 0 H ASP A 44 0.934 11.853 -1.051 1.00 0.00 H new ATOM 0 HA ASP A 44 2.401 14.370 -1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.183 13.895 -2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.607 14.105 -1.313 1.00 0.00 H new ATOM 688 N TYR A 45 2.541 14.637 0.879 1.00 0.00 N ATOM 689 CA TYR A 45 2.590 14.956 2.301 1.00 0.00 C ATOM 690 C TYR A 45 1.877 16.273 2.589 1.00 0.00 C ATOM 691 O TYR A 45 1.394 16.500 3.697 1.00 0.00 O ATOM 692 CB TYR A 45 4.042 15.034 2.777 1.00 0.00 C ATOM 693 CG TYR A 45 4.684 13.681 2.986 1.00 0.00 C ATOM 694 CD1 TYR A 45 4.874 12.808 1.922 1.00 0.00 C ATOM 695 CD2 TYR A 45 5.102 13.276 4.248 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.459 11.571 2.109 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.689 12.041 4.444 1.00 0.00 C ATOM 698 CZ TYR A 45 5.866 11.192 3.372 1.00 0.00 C ATOM 699 OH TYR A 45 6.450 9.961 3.562 1.00 0.00 O ATOM 0 H TYR A 45 3.410 14.817 0.376 1.00 0.00 H new ATOM 0 HA TYR A 45 2.078 14.161 2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.625 15.595 2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.080 15.593 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.559 13.102 0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.966 13.938 5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.597 10.904 1.271 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.008 11.742 5.432 1.00 0.00 H new ATOM 0 HH TYR A 45 6.679 9.850 4.508 1.00 0.00 H new ATOM 709 N GLU A 46 1.817 17.138 1.581 1.00 0.00 N ATOM 710 CA GLU A 46 1.163 18.434 1.726 1.00 0.00 C ATOM 711 C GLU A 46 -0.350 18.271 1.829 1.00 0.00 C ATOM 712 O GLU A 46 -1.019 19.027 2.533 1.00 0.00 O ATOM 713 CB GLU A 46 1.511 19.340 0.543 1.00 0.00 C ATOM 714 CG GLU A 46 2.999 19.610 0.399 1.00 0.00 C ATOM 715 CD GLU A 46 3.322 20.470 -0.807 1.00 0.00 C ATOM 716 OE1 GLU A 46 3.248 19.952 -1.941 1.00 0.00 O ATOM 717 OE2 GLU A 46 3.649 21.660 -0.618 1.00 0.00 O ATOM 0 H GLU A 46 2.212 16.965 0.657 1.00 0.00 H new ATOM 0 HA GLU A 46 1.524 18.894 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.143 18.882 -0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.988 20.289 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.364 20.103 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.530 18.662 0.317 1.00 0.00 H new ATOM 724 N GLU A 47 -0.883 17.280 1.120 1.00 0.00 N ATOM 725 CA GLU A 47 -2.317 17.019 1.131 1.00 0.00 C ATOM 726 C GLU A 47 -2.657 15.887 2.096 1.00 0.00 C ATOM 727 O GLU A 47 -3.637 15.960 2.836 1.00 0.00 O ATOM 728 CB GLU A 47 -2.805 16.669 -0.276 1.00 0.00 C ATOM 729 CG GLU A 47 -2.977 17.879 -1.179 1.00 0.00 C ATOM 730 CD GLU A 47 -3.632 19.048 -0.470 1.00 0.00 C ATOM 731 OE1 GLU A 47 -2.926 19.765 0.270 1.00 0.00 O ATOM 732 OE2 GLU A 47 -4.851 19.246 -0.655 1.00 0.00 O ATOM 0 H GLU A 47 -0.343 16.646 0.531 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.822 17.924 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.096 15.980 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.757 16.144 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.002 18.188 -1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.579 17.600 -2.044 1.00 0.00 H new ATOM 739 N GLY A 48 -1.839 14.839 2.080 1.00 0.00 N ATOM 740 CA GLY A 48 -2.070 13.705 2.957 1.00 0.00 C ATOM 741 C GLY A 48 -2.639 12.509 2.220 1.00 0.00 C ATOM 742 O GLY A 48 -3.377 11.709 2.796 1.00 0.00 O ATOM 0 H GLY A 48 -1.021 14.755 1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.132 13.421 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.756 13.998 3.752 1.00 0.00 H new ATOM 746 N LYS A 49 -2.298 12.386 0.942 1.00 0.00 N ATOM 747 CA LYS A 49 -2.780 11.279 0.124 1.00 0.00 C ATOM 748 C LYS A 49 -1.627 10.606 -0.614 1.00 0.00 C ATOM 749 O LYS A 49 -0.468 10.986 -0.452 1.00 0.00 O ATOM 750 CB LYS A 49 -3.821 11.777 -0.881 1.00 0.00 C ATOM 751 CG LYS A 49 -3.333 12.930 -1.742 1.00 0.00 C ATOM 752 CD LYS A 49 -4.113 13.024 -3.043 1.00 0.00 C ATOM 753 CE LYS A 49 -3.327 13.767 -4.112 1.00 0.00 C ATOM 754 NZ LYS A 49 -3.821 13.454 -5.481 1.00 0.00 N ATOM 0 H LYS A 49 -1.689 13.040 0.450 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.243 10.546 0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.114 10.950 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.714 12.091 -0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.431 13.865 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.273 12.799 -1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.353 12.022 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.059 13.535 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.400 14.840 -3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.272 13.502 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.635 14.261 -6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.330 12.612 -5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.844 13.270 -5.447 1.00 0.00 H new ATOM 768 N MET A 50 -1.954 9.605 -1.425 1.00 0.00 N ATOM 769 CA MET A 50 -0.945 8.881 -2.190 1.00 0.00 C ATOM 770 C MET A 50 -1.577 8.158 -3.375 1.00 0.00 C ATOM 771 O MET A 50 -2.674 7.608 -3.267 1.00 0.00 O ATOM 772 CB MET A 50 -0.219 7.877 -1.293 1.00 0.00 C ATOM 773 CG MET A 50 -1.096 7.297 -0.195 1.00 0.00 C ATOM 774 SD MET A 50 -0.345 5.870 0.613 1.00 0.00 S ATOM 775 CE MET A 50 -1.644 4.651 0.422 1.00 0.00 C ATOM 0 H MET A 50 -2.909 9.277 -1.569 1.00 0.00 H new ATOM 0 HA MET A 50 -0.224 9.605 -2.571 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.164 7.063 -1.909 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.643 8.366 -0.838 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.296 8.067 0.550 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.057 7.006 -0.619 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.257 3.664 0.676 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.474 4.897 1.085 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.992 4.649 -0.611 1.00 0.00 H new ATOM 785 N LEU A 51 -0.879 8.163 -4.505 1.00 0.00 N ATOM 786 CA LEU A 51 -1.372 7.507 -5.712 1.00 0.00 C ATOM 787 C LEU A 51 -1.088 6.009 -5.672 1.00 0.00 C ATOM 788 O LEU A 51 0.029 5.570 -5.945 1.00 0.00 O ATOM 789 CB LEU A 51 -0.727 8.127 -6.953 1.00 0.00 C ATOM 790 CG LEU A 51 -1.487 7.944 -8.267 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.599 8.295 -9.450 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.004 6.518 -8.390 1.00 0.00 C ATOM 0 H LEU A 51 0.030 8.614 -4.611 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.451 7.652 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.599 9.195 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.270 7.702 -7.071 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.342 8.620 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.157 8.159 -10.377 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.278 9.334 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.276 7.645 -9.454 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.542 6.406 -9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.164 5.823 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.676 6.302 -7.560 1.00 0.00 H new ATOM 804 N VAL A 52 -2.108 5.228 -5.332 1.00 0.00 N ATOM 805 CA VAL A 52 -1.970 3.778 -5.260 1.00 0.00 C ATOM 806 C VAL A 52 -2.537 3.109 -6.507 1.00 0.00 C ATOM 807 O VAL A 52 -3.585 3.508 -7.016 1.00 0.00 O ATOM 808 CB VAL A 52 -2.679 3.208 -4.017 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.159 3.559 -4.038 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.482 1.702 -3.936 1.00 0.00 C ATOM 0 H VAL A 52 -3.039 5.575 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.903 3.565 -5.191 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.236 3.659 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.643 3.148 -3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.276 4.643 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.620 3.138 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.989 1.316 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.898 1.232 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.417 1.477 -3.871 1.00 0.00 H new ATOM 820 N HIS A 53 -1.839 2.088 -6.994 1.00 0.00 N ATOM 821 CA HIS A 53 -2.274 1.362 -8.181 1.00 0.00 C ATOM 822 C HIS A 53 -2.951 0.050 -7.798 1.00 0.00 C ATOM 823 O HIS A 53 -2.514 -0.641 -6.877 1.00 0.00 O ATOM 824 CB HIS A 53 -1.083 1.085 -9.100 1.00 0.00 C ATOM 825 CG HIS A 53 -1.231 -0.164 -9.913 1.00 0.00 C ATOM 826 ND1 HIS A 53 -2.295 -0.389 -10.761 1.00 0.00 N ATOM 827 CD2 HIS A 53 -0.441 -1.259 -10.004 1.00 0.00 C ATOM 828 CE1 HIS A 53 -2.153 -1.569 -11.338 1.00 0.00 C ATOM 829 NE2 HIS A 53 -1.036 -2.117 -10.896 1.00 0.00 N ATOM 0 H HIS A 53 -0.970 1.745 -6.585 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.997 1.982 -8.711 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.949 1.932 -9.772 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.178 1.011 -8.496 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.070 0.255 -10.918 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.485 -1.427 -9.474 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.835 -2.010 -12.050 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.674 -3.030 -11.172 1.00 0.00 H new ATOM 837 N PHE A 54 -4.021 -0.289 -8.510 1.00 0.00 N ATOM 838 CA PHE A 54 -4.760 -1.517 -8.244 1.00 0.00 C ATOM 839 C PHE A 54 -4.361 -2.616 -9.225 1.00 0.00 C ATOM 840 O PHE A 54 -4.557 -2.484 -10.432 1.00 0.00 O ATOM 841 CB PHE A 54 -6.266 -1.261 -8.332 1.00 0.00 C ATOM 842 CG PHE A 54 -6.858 -0.724 -7.061 1.00 0.00 C ATOM 843 CD1 PHE A 54 -6.789 -1.455 -5.886 1.00 0.00 C ATOM 844 CD2 PHE A 54 -7.485 0.512 -7.041 1.00 0.00 C ATOM 845 CE1 PHE A 54 -7.333 -0.963 -4.714 1.00 0.00 C ATOM 846 CE2 PHE A 54 -8.030 1.009 -5.872 1.00 0.00 C ATOM 847 CZ PHE A 54 -7.955 0.270 -4.708 1.00 0.00 C ATOM 0 H PHE A 54 -4.396 0.270 -9.276 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.513 -1.848 -7.235 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -6.460 -0.556 -9.140 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.770 -2.192 -8.593 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.305 -2.420 -5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -7.548 1.093 -7.949 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.272 -1.542 -3.804 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.514 1.974 -5.869 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.382 0.656 -3.794 1.00 0.00 H new ATOM 857 N GLU A 55 -3.799 -3.698 -8.695 1.00 0.00 N ATOM 858 CA GLU A 55 -3.371 -4.819 -9.524 1.00 0.00 C ATOM 859 C GLU A 55 -4.571 -5.515 -10.160 1.00 0.00 C ATOM 860 O GLU A 55 -4.636 -5.672 -11.380 1.00 0.00 O ATOM 861 CB GLU A 55 -2.569 -5.821 -8.692 1.00 0.00 C ATOM 862 CG GLU A 55 -1.305 -5.235 -8.085 1.00 0.00 C ATOM 863 CD GLU A 55 -0.130 -5.265 -9.043 1.00 0.00 C ATOM 864 OE1 GLU A 55 0.382 -6.370 -9.319 1.00 0.00 O ATOM 865 OE2 GLU A 55 0.277 -4.184 -9.516 1.00 0.00 O ATOM 0 H GLU A 55 -3.630 -3.822 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.736 -4.428 -10.319 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.202 -6.205 -7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.300 -6.670 -9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.496 -4.206 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.048 -5.791 -7.183 1.00 0.00 H new ATOM 872 N ARG A 56 -5.518 -5.930 -9.326 1.00 0.00 N ATOM 873 CA ARG A 56 -6.715 -6.610 -9.805 1.00 0.00 C ATOM 874 C ARG A 56 -7.200 -5.998 -11.116 1.00 0.00 C ATOM 875 O ARG A 56 -7.440 -6.708 -12.092 1.00 0.00 O ATOM 876 CB ARG A 56 -7.824 -6.538 -8.754 1.00 0.00 C ATOM 877 CG ARG A 56 -8.991 -7.471 -9.035 1.00 0.00 C ATOM 878 CD ARG A 56 -8.606 -8.926 -8.816 1.00 0.00 C ATOM 879 NE ARG A 56 -9.585 -9.843 -9.391 1.00 0.00 N ATOM 880 CZ ARG A 56 -9.311 -11.102 -9.715 1.00 0.00 C ATOM 881 NH1 ARG A 56 -8.094 -11.590 -9.520 1.00 0.00 N ATOM 882 NH2 ARG A 56 -10.256 -11.876 -10.234 1.00 0.00 N ATOM 0 H ARG A 56 -5.480 -5.807 -8.314 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.462 -7.655 -9.984 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.404 -6.779 -7.778 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.194 -5.514 -8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.828 -7.213 -8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.329 -7.334 -10.062 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.629 -9.113 -9.261 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.512 -9.119 -7.747 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.531 -9.498 -9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.365 -10.999 -9.120 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.886 -12.557 -9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.194 -11.504 -10.385 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.044 -12.842 -10.482 1.00 0.00 H new ATOM 896 N TRP A 57 -7.343 -4.678 -11.128 1.00 0.00 N ATOM 897 CA TRP A 57 -7.800 -3.970 -12.319 1.00 0.00 C ATOM 898 C TRP A 57 -6.639 -3.690 -13.266 1.00 0.00 C ATOM 899 O TRP A 57 -5.480 -3.937 -12.931 1.00 0.00 O ATOM 900 CB TRP A 57 -8.482 -2.658 -11.927 1.00 0.00 C ATOM 901 CG TRP A 57 -9.904 -2.835 -11.489 1.00 0.00 C ATOM 902 CD1 TRP A 57 -11.021 -2.724 -12.267 1.00 0.00 C ATOM 903 CD2 TRP A 57 -10.362 -3.154 -10.170 1.00 0.00 C ATOM 904 NE1 TRP A 57 -12.146 -2.954 -11.511 1.00 0.00 N ATOM 905 CE2 TRP A 57 -11.768 -3.221 -10.222 1.00 0.00 C ATOM 906 CE3 TRP A 57 -9.721 -3.392 -8.952 1.00 0.00 C ATOM 907 CZ2 TRP A 57 -12.541 -3.514 -9.101 1.00 0.00 C ATOM 908 CZ3 TRP A 57 -10.489 -3.682 -7.840 1.00 0.00 C ATOM 909 CH2 TRP A 57 -11.887 -3.742 -7.921 1.00 0.00 C ATOM 0 H TRP A 57 -7.149 -4.076 -10.327 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.519 -4.606 -12.835 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.917 -2.190 -11.121 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -8.453 -1.974 -12.775 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -11.021 -2.490 -13.321 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.106 -2.930 -11.854 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.644 -3.350 -8.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -13.618 -3.560 -9.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -10.004 -3.865 -6.893 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -12.459 -3.973 -7.035 1.00 0.00 H new ATOM 920 N SER A 58 -6.956 -3.175 -14.449 1.00 0.00 N ATOM 921 CA SER A 58 -5.938 -2.865 -15.446 1.00 0.00 C ATOM 922 C SER A 58 -4.683 -2.305 -14.785 1.00 0.00 C ATOM 923 O SER A 58 -4.762 -1.564 -13.804 1.00 0.00 O ATOM 924 CB SER A 58 -6.481 -1.863 -16.466 1.00 0.00 C ATOM 925 OG SER A 58 -5.722 -1.891 -17.663 1.00 0.00 O ATOM 0 H SER A 58 -7.910 -2.963 -14.741 1.00 0.00 H new ATOM 0 HA SER A 58 -5.675 -3.790 -15.960 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.523 -2.093 -16.687 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.459 -0.859 -16.041 1.00 0.00 H new ATOM 0 HG SER A 58 -4.768 -1.829 -17.447 1.00 0.00 H new ATOM 931 N HIS A 59 -3.524 -2.663 -15.329 1.00 0.00 N ATOM 932 CA HIS A 59 -2.251 -2.197 -14.792 1.00 0.00 C ATOM 933 C HIS A 59 -2.286 -0.692 -14.540 1.00 0.00 C ATOM 934 O HIS A 59 -1.732 -0.206 -13.554 1.00 0.00 O ATOM 935 CB HIS A 59 -1.112 -2.537 -15.755 1.00 0.00 C ATOM 936 CG HIS A 59 -1.304 -1.977 -17.131 1.00 0.00 C ATOM 937 ND1 HIS A 59 -2.432 -1.686 -17.819 1.00 0.00 N flip ATOM 938 CD2 HIS A 59 -0.254 -1.652 -17.964 1.00 0.00 C flip ATOM 939 CE1 HIS A 59 -2.048 -1.195 -19.042 1.00 0.00 C flip ATOM 940 NE2 HIS A 59 -0.729 -1.184 -19.104 1.00 0.00 N flip ATOM 0 H HIS A 59 -3.441 -3.274 -16.141 1.00 0.00 H new ATOM 0 HA HIS A 59 -2.078 -2.704 -13.842 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -0.176 -2.159 -15.345 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.016 -3.621 -15.823 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.793 -1.763 -17.722 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.716 -0.870 -19.826 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -0.172 -0.868 -19.898 1.00 0.00 H new ATOM 948 N ARG A 60 -2.941 0.038 -15.436 1.00 0.00 N ATOM 949 CA ARG A 60 -3.047 1.487 -15.311 1.00 0.00 C ATOM 950 C ARG A 60 -4.013 1.867 -14.193 1.00 0.00 C ATOM 951 O ARG A 60 -3.782 2.827 -13.458 1.00 0.00 O ATOM 952 CB ARG A 60 -3.512 2.101 -16.633 1.00 0.00 C ATOM 953 CG ARG A 60 -2.562 1.845 -17.791 1.00 0.00 C ATOM 954 CD ARG A 60 -3.225 2.130 -19.129 1.00 0.00 C ATOM 955 NE ARG A 60 -3.322 3.562 -19.399 1.00 0.00 N ATOM 956 CZ ARG A 60 -4.213 4.096 -20.227 1.00 0.00 C ATOM 957 NH1 ARG A 60 -5.079 3.320 -20.863 1.00 0.00 N ATOM 958 NH2 ARG A 60 -4.238 5.408 -20.420 1.00 0.00 N ATOM 0 H ARG A 60 -3.406 -0.350 -16.257 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.060 1.879 -15.063 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.494 1.700 -16.884 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.631 3.177 -16.502 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.677 2.471 -17.682 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.225 0.809 -17.764 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.656 1.649 -19.925 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.223 1.691 -19.140 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.669 4.187 -18.926 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.062 2.311 -20.717 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.762 3.732 -21.498 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.573 6.008 -19.932 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.923 5.817 -21.056 1.00 0.00 H new ATOM 972 N TYR A 61 -5.097 1.108 -14.072 1.00 0.00 N ATOM 973 CA TYR A 61 -6.100 1.366 -13.046 1.00 0.00 C ATOM 974 C TYR A 61 -5.443 1.789 -11.735 1.00 0.00 C ATOM 975 O TYR A 61 -4.931 0.955 -10.987 1.00 0.00 O ATOM 976 CB TYR A 61 -6.961 0.122 -12.820 1.00 0.00 C ATOM 977 CG TYR A 61 -8.363 0.434 -12.348 1.00 0.00 C ATOM 978 CD1 TYR A 61 -9.374 0.726 -13.256 1.00 0.00 C ATOM 979 CD2 TYR A 61 -8.677 0.437 -10.994 1.00 0.00 C ATOM 980 CE1 TYR A 61 -10.656 1.012 -12.829 1.00 0.00 C ATOM 981 CE2 TYR A 61 -9.957 0.721 -10.559 1.00 0.00 C ATOM 982 CZ TYR A 61 -10.943 1.008 -11.480 1.00 0.00 C ATOM 983 OH TYR A 61 -12.219 1.292 -11.051 1.00 0.00 O ATOM 0 H TYR A 61 -5.303 0.309 -14.672 1.00 0.00 H new ATOM 0 HA TYR A 61 -6.735 2.181 -13.392 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.017 -0.445 -13.750 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.473 -0.519 -12.085 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.153 0.729 -14.313 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.907 0.214 -10.270 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.430 1.238 -13.548 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.185 0.718 -9.503 1.00 0.00 H new ATOM 0 HH TYR A 61 -12.253 1.246 -10.073 1.00 0.00 H new ATOM 993 N ASP A 62 -5.462 3.089 -11.464 1.00 0.00 N ATOM 994 CA ASP A 62 -4.870 3.624 -10.243 1.00 0.00 C ATOM 995 C ASP A 62 -5.753 4.713 -9.643 1.00 0.00 C ATOM 996 O ASP A 62 -6.427 5.446 -10.366 1.00 0.00 O ATOM 997 CB ASP A 62 -3.474 4.182 -10.530 1.00 0.00 C ATOM 998 CG ASP A 62 -3.511 5.392 -11.443 1.00 0.00 C ATOM 999 OD1 ASP A 62 -3.968 6.462 -10.991 1.00 0.00 O ATOM 1000 OD2 ASP A 62 -3.080 5.268 -12.608 1.00 0.00 O ATOM 0 H ASP A 62 -5.881 3.792 -12.073 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.787 2.811 -9.522 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.994 4.454 -9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.862 3.404 -10.987 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.744 4.812 -8.318 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.547 5.811 -7.622 1.00 0.00 C ATOM 1007 C GLU A 63 -5.867 6.249 -6.327 1.00 0.00 C ATOM 1008 O GLU A 63 -5.346 5.423 -5.578 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.940 5.256 -7.317 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.768 6.154 -6.414 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.946 5.429 -5.791 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -9.810 4.223 -5.497 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -11.002 6.067 -5.599 1.00 0.00 O ATOM 0 H GLU A 63 -5.190 4.214 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.645 6.680 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.475 5.105 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.837 4.278 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.133 6.553 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.133 7.005 -6.990 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.878 7.552 -6.072 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.262 8.100 -4.869 1.00 0.00 C ATOM 1022 C TRP A 64 -6.057 7.714 -3.627 1.00 0.00 C ATOM 1023 O TRP A 64 -7.279 7.867 -3.588 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.160 9.623 -4.972 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.229 10.084 -6.052 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.478 10.109 -7.394 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.898 10.584 -5.880 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.383 10.595 -8.067 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.401 10.894 -7.161 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.079 10.802 -4.768 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -1.122 11.409 -7.358 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.810 11.313 -4.966 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.342 11.612 -6.252 1.00 0.00 C ATOM 0 H TRP A 64 -6.306 8.249 -6.682 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.260 7.681 -4.781 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.152 10.035 -5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.822 10.023 -4.016 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.400 9.793 -7.859 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.313 10.714 -9.078 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.431 10.575 -3.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.759 11.640 -8.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.168 11.485 -4.114 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.654 12.011 -6.373 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.358 7.214 -2.613 1.00 0.00 N ATOM 1045 CA ILE A 65 -6.000 6.808 -1.369 1.00 0.00 C ATOM 1046 C ILE A 65 -5.301 7.425 -0.163 1.00 0.00 C ATOM 1047 O ILE A 65 -4.105 7.221 0.046 1.00 0.00 O ATOM 1048 CB ILE A 65 -6.011 5.276 -1.215 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.753 4.629 -2.386 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.650 4.881 0.108 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.827 3.120 -2.294 1.00 0.00 C ATOM 0 H ILE A 65 -4.347 7.080 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.028 7.167 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.982 4.918 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.765 5.032 -2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.257 4.904 -3.317 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.650 3.795 0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.082 5.316 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.676 5.248 0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.366 2.729 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.819 2.707 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.349 2.836 -1.380 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.055 8.179 0.630 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.508 8.826 1.816 1.00 0.00 C ATOM 1065 C TYR A 66 -4.689 7.841 2.645 1.00 0.00 C ATOM 1066 O TYR A 66 -5.221 6.863 3.169 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.634 9.415 2.667 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.253 10.661 2.075 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.458 11.672 1.550 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.632 10.827 2.042 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -7.019 12.813 1.008 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.201 11.964 1.501 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.391 12.954 0.986 1.00 0.00 C ATOM 1074 OH TYR A 66 -8.954 14.088 0.448 1.00 0.00 O ATOM 0 H TYR A 66 -7.047 8.357 0.472 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.851 9.632 1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.410 8.661 2.799 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.245 9.649 3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.383 11.565 1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.270 10.055 2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.387 13.590 0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.275 12.077 1.482 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.930 14.029 0.509 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.394 8.109 2.760 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.500 7.247 3.526 1.00 0.00 C ATOM 1086 C TRP A 67 -2.942 7.163 4.983 1.00 0.00 C ATOM 1087 O TRP A 67 -2.425 6.353 5.752 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.064 7.766 3.445 1.00 0.00 C ATOM 1089 CG TRP A 67 -0.923 9.194 3.880 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -1.932 10.081 4.120 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.300 9.898 4.125 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.412 11.295 4.499 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.045 11.208 4.511 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.651 9.549 4.057 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.914 12.167 4.826 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.602 10.502 4.370 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.230 11.798 4.751 1.00 0.00 C ATOM 0 H TRP A 67 -2.939 8.916 2.333 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.542 6.247 3.095 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.423 7.140 4.066 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.708 7.669 2.420 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.985 9.861 4.026 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -1.955 12.126 4.733 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.947 8.552 3.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.630 13.167 5.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.649 10.243 4.320 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.997 12.520 4.990 1.00 0.00 H new ATOM 1108 N ASP A 68 -3.901 8.004 5.355 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.413 8.024 6.721 1.00 0.00 C ATOM 1110 C ASP A 68 -5.814 7.424 6.784 1.00 0.00 C ATOM 1111 O ASP A 68 -6.574 7.693 7.714 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.433 9.455 7.260 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.619 10.250 6.751 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -6.718 10.112 7.328 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -5.448 11.010 5.775 1.00 0.00 O ATOM 0 H ASP A 68 -4.339 8.681 4.730 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.750 7.420 7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.457 9.429 8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.511 9.961 6.974 1.00 0.00 H new ATOM 1120 N SER A 69 -6.149 6.610 5.788 1.00 0.00 N ATOM 1121 CA SER A 69 -7.461 5.976 5.728 1.00 0.00 C ATOM 1122 C SER A 69 -7.480 4.689 6.548 1.00 0.00 C ATOM 1123 O SER A 69 -8.533 4.251 7.009 1.00 0.00 O ATOM 1124 CB SER A 69 -7.839 5.674 4.276 1.00 0.00 C ATOM 1125 OG SER A 69 -9.243 5.729 4.093 1.00 0.00 O ATOM 0 H SER A 69 -5.530 6.374 5.012 1.00 0.00 H new ATOM 0 HA SER A 69 -8.191 6.667 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.354 6.392 3.614 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.471 4.686 3.999 1.00 0.00 H new ATOM 0 HG SER A 69 -9.444 5.870 3.144 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.307 4.090 6.725 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.188 2.854 7.489 1.00 0.00 C ATOM 1133 C ASN A 70 -6.961 1.723 6.817 1.00 0.00 C ATOM 1134 O ASN A 70 -7.432 0.799 7.481 1.00 0.00 O ATOM 1135 CB ASN A 70 -6.700 3.060 8.916 1.00 0.00 C ATOM 1136 CG ASN A 70 -6.641 1.789 9.740 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -7.667 1.282 10.194 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.436 1.267 9.938 1.00 0.00 N ATOM 0 H ASN A 70 -5.426 4.441 6.350 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.134 2.579 7.525 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.107 3.834 9.404 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.728 3.420 8.882 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.334 0.412 10.485 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.612 1.721 9.543 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.089 1.803 5.497 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.805 0.787 4.735 1.00 0.00 C ATOM 1147 C ARG A 71 -6.835 -0.082 3.941 1.00 0.00 C ATOM 1148 O ARG A 71 -7.225 -0.748 2.981 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.811 1.444 3.788 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.802 2.357 4.491 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.593 3.192 3.496 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.622 3.995 4.150 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.710 4.442 3.532 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.909 4.165 2.251 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.601 5.167 4.196 1.00 0.00 N ATOM 0 H ARG A 71 -6.706 2.561 4.933 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.341 0.151 5.440 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.269 2.019 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.360 0.666 3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.487 1.758 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.269 3.015 5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.913 3.848 2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.059 2.535 2.761 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.499 4.226 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.226 3.608 1.738 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.745 4.509 1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.451 5.382 5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.436 5.510 3.721 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.570 -0.070 4.346 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.543 -0.857 3.672 1.00 0.00 C ATOM 1171 C LEU A 72 -3.933 -1.883 4.621 1.00 0.00 C ATOM 1172 O LEU A 72 -4.027 -1.748 5.841 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.449 0.060 3.123 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.922 1.382 2.516 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.859 2.457 2.682 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.273 1.199 1.047 1.00 0.00 C ATOM 0 H LEU A 72 -5.231 0.476 5.138 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.012 -1.389 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.751 0.283 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.892 -0.487 2.362 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.819 1.702 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.214 3.390 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.656 2.608 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.944 2.145 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.607 2.150 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.393 0.855 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.070 0.461 0.952 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.306 -2.908 4.052 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.679 -3.957 4.848 1.00 0.00 C ATOM 1190 C ARG A 73 -1.265 -4.244 4.351 1.00 0.00 C ATOM 1191 O ARG A 73 -0.940 -4.048 3.180 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.519 -5.235 4.797 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.010 -4.991 4.958 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.741 -6.259 5.371 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.691 -7.283 4.331 1.00 0.00 N ATOM 1196 CZ ARG A 73 -5.818 -8.583 4.573 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.002 -9.015 5.813 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -5.761 -9.453 3.573 1.00 0.00 N ATOM 0 H ARG A 73 -3.219 -3.034 3.044 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.619 -3.610 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.342 -5.738 3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.183 -5.912 5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.174 -4.215 5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.423 -4.621 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.298 -6.651 6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.781 -6.021 5.596 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.551 -6.984 3.366 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.046 -8.349 6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.099 -10.014 5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.620 -9.124 2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.859 -10.451 3.759 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.404 -4.720 5.262 1.00 0.00 N ATOM 1213 CA PRO A 74 0.989 -5.045 4.940 1.00 0.00 C ATOM 1214 C PRO A 74 1.106 -6.273 4.044 1.00 0.00 C ATOM 1215 O PRO A 74 1.167 -7.404 4.528 1.00 0.00 O ATOM 1216 CB PRO A 74 1.615 -5.321 6.310 1.00 0.00 C ATOM 1217 CG PRO A 74 0.474 -5.745 7.169 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.723 -4.979 6.676 1.00 0.00 C ATOM 0 HA PRO A 74 1.477 -4.242 4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.375 -6.100 6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.102 -4.431 6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.307 -6.820 7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.673 -5.526 8.218 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.641 -5.557 6.781 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.864 -4.052 7.232 1.00 0.00 H new ATOM 1226 N LEU A 75 1.137 -6.044 2.736 1.00 0.00 N ATOM 1227 CA LEU A 75 1.247 -7.133 1.771 1.00 0.00 C ATOM 1228 C LEU A 75 2.506 -7.956 2.021 1.00 0.00 C ATOM 1229 O LEU A 75 3.545 -7.419 2.405 1.00 0.00 O ATOM 1230 CB LEU A 75 1.262 -6.578 0.346 1.00 0.00 C ATOM 1231 CG LEU A 75 1.401 -7.609 -0.775 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.047 -8.207 -1.122 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.039 -6.978 -2.004 1.00 0.00 C ATOM 0 H LEU A 75 1.088 -5.114 2.319 1.00 0.00 H new ATOM 0 HA LEU A 75 0.380 -7.782 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.340 -6.019 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.084 -5.868 0.263 1.00 0.00 H new ATOM 0 HG LEU A 75 2.050 -8.412 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.166 -8.938 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.371 -8.696 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.627 -7.416 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.130 -7.726 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.416 -6.155 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.028 -6.600 -1.747 1.00 0.00 H new ATOM 1245 N GLU A 76 2.406 -9.263 1.799 1.00 0.00 N ATOM 1246 CA GLU A 76 3.539 -10.160 1.999 1.00 0.00 C ATOM 1247 C GLU A 76 4.609 -9.930 0.936 1.00 0.00 C ATOM 1248 O GLU A 76 4.343 -9.342 -0.111 1.00 0.00 O ATOM 1249 CB GLU A 76 3.075 -11.618 1.965 1.00 0.00 C ATOM 1250 CG GLU A 76 2.554 -12.059 0.607 1.00 0.00 C ATOM 1251 CD GLU A 76 2.362 -13.561 0.516 1.00 0.00 C ATOM 1252 OE1 GLU A 76 1.371 -14.068 1.081 1.00 0.00 O ATOM 1253 OE2 GLU A 76 3.204 -14.228 -0.121 1.00 0.00 O ATOM 0 H GLU A 76 1.553 -9.724 1.481 1.00 0.00 H new ATOM 0 HA GLU A 76 3.971 -9.946 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.906 -12.262 2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.291 -11.758 2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.605 -11.562 0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.251 -11.738 -0.167 1.00 0.00 H new ATOM 1260 N ARG A 77 5.821 -10.399 1.215 1.00 0.00 N ATOM 1261 CA ARG A 77 6.933 -10.243 0.285 1.00 0.00 C ATOM 1262 C ARG A 77 7.525 -11.599 -0.086 1.00 0.00 C ATOM 1263 O ARG A 77 7.556 -12.532 0.717 1.00 0.00 O ATOM 1264 CB ARG A 77 8.016 -9.352 0.896 1.00 0.00 C ATOM 1265 CG ARG A 77 9.054 -10.119 1.699 1.00 0.00 C ATOM 1266 CD ARG A 77 10.113 -9.190 2.272 1.00 0.00 C ATOM 1267 NE ARG A 77 10.750 -9.752 3.460 1.00 0.00 N ATOM 1268 CZ ARG A 77 10.249 -9.638 4.685 1.00 0.00 C ATOM 1269 NH1 ARG A 77 9.110 -8.987 4.882 1.00 0.00 N ATOM 1270 NH2 ARG A 77 10.886 -10.177 5.717 1.00 0.00 N ATOM 0 H ARG A 77 6.058 -10.890 2.077 1.00 0.00 H new ATOM 0 HA ARG A 77 6.553 -9.771 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.518 -8.805 0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.544 -8.612 1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.563 -10.657 2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.529 -10.866 1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 77 10.871 -8.993 1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.657 -8.232 2.524 1.00 0.00 H new ATOM 0 HE ARG A 77 11.627 -10.259 3.343 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.616 -8.572 4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.728 -8.901 5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.761 -10.680 5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.500 -10.089 6.657 1.00 0.00 H new ATOM 1284 N PRO A 78 8.006 -11.714 -1.333 1.00 0.00 N ATOM 1285 CA PRO A 78 8.606 -12.952 -1.840 1.00 0.00 C ATOM 1286 C PRO A 78 9.951 -13.253 -1.188 1.00 0.00 C ATOM 1287 O PRO A 78 10.529 -12.402 -0.513 1.00 0.00 O ATOM 1288 CB PRO A 78 8.786 -12.673 -3.334 1.00 0.00 C ATOM 1289 CG PRO A 78 8.883 -11.190 -3.434 1.00 0.00 C ATOM 1290 CD PRO A 78 8.002 -10.643 -2.344 1.00 0.00 C ATOM 0 HA PRO A 78 7.986 -13.823 -1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.683 -13.155 -3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.944 -13.054 -3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.913 -10.857 -3.307 1.00 0.00 H new ATOM 0 HG3 PRO A 78 8.554 -10.842 -4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.394 -9.709 -1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 78 6.995 -10.436 -2.707 1.00 0.00 H new ATOM 1298 N ALA A 79 10.445 -14.470 -1.395 1.00 0.00 N ATOM 1299 CA ALA A 79 11.723 -14.882 -0.830 1.00 0.00 C ATOM 1300 C ALA A 79 12.836 -14.799 -1.870 1.00 0.00 C ATOM 1301 O ALA A 79 12.683 -15.272 -2.997 1.00 0.00 O ATOM 1302 CB ALA A 79 11.623 -16.294 -0.273 1.00 0.00 C ATOM 0 H ALA A 79 9.979 -15.187 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 79 11.970 -14.199 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.585 -16.589 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.863 -16.324 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.349 -16.982 -1.073 1.00 0.00 H new ATOM 1308 N LEU A 80 13.954 -14.195 -1.485 1.00 0.00 N ATOM 1309 CA LEU A 80 15.093 -14.049 -2.385 1.00 0.00 C ATOM 1310 C LEU A 80 15.853 -15.364 -2.519 1.00 0.00 C ATOM 1311 O LEU A 80 16.595 -15.569 -3.480 1.00 0.00 O ATOM 1312 CB LEU A 80 16.033 -12.953 -1.877 1.00 0.00 C ATOM 1313 CG LEU A 80 15.596 -11.514 -2.152 1.00 0.00 C ATOM 1314 CD1 LEU A 80 16.357 -10.546 -1.259 1.00 0.00 C ATOM 1315 CD2 LEU A 80 15.802 -11.165 -3.618 1.00 0.00 C ATOM 0 H LEU A 80 14.097 -13.798 -0.556 1.00 0.00 H new ATOM 0 HA LEU A 80 14.714 -13.768 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.153 -13.076 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.014 -13.106 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 80 14.533 -11.427 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 80 16.033 -9.527 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 80 16.158 -10.782 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 80 17.426 -10.634 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 80 15.486 -10.137 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.857 -11.269 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.211 -11.839 -4.239 1.00 0.00 H new ATOM 1327 N ARG A 81 15.662 -16.254 -1.550 1.00 0.00 N ATOM 1328 CA ARG A 81 16.329 -17.550 -1.561 1.00 0.00 C ATOM 1329 C ARG A 81 17.829 -17.388 -1.788 1.00 0.00 C ATOM 1330 O ARG A 81 18.446 -18.168 -2.513 1.00 0.00 O ATOM 1331 CB ARG A 81 15.731 -18.446 -2.648 1.00 0.00 C ATOM 1332 CG ARG A 81 15.837 -19.930 -2.340 1.00 0.00 C ATOM 1333 CD ARG A 81 14.933 -20.752 -3.246 1.00 0.00 C ATOM 1334 NE ARG A 81 13.528 -20.639 -2.866 1.00 0.00 N ATOM 1335 CZ ARG A 81 12.961 -21.376 -1.917 1.00 0.00 C ATOM 1336 NH1 ARG A 81 13.677 -22.274 -1.255 1.00 0.00 N ATOM 1337 NH2 ARG A 81 11.676 -21.214 -1.628 1.00 0.00 N ATOM 0 H ARG A 81 15.051 -16.101 -0.748 1.00 0.00 H new ATOM 0 HA ARG A 81 16.175 -18.018 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 81 14.681 -18.186 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 81 16.235 -18.243 -3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 81 16.870 -20.255 -2.462 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.568 -20.107 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.057 -20.422 -4.277 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.236 -21.798 -3.207 1.00 0.00 H new ATOM 0 HE ARG A 81 12.950 -19.957 -3.356 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.665 -22.400 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.240 -22.839 -0.527 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.122 -20.523 -2.135 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.242 -21.780 -0.899 1.00 0.00 H new ATOM 1351 N LYS A 82 18.410 -16.370 -1.163 1.00 0.00 N ATOM 1352 CA LYS A 82 19.837 -16.105 -1.294 1.00 0.00 C ATOM 1353 C LYS A 82 20.333 -15.217 -0.158 1.00 0.00 C ATOM 1354 O LYS A 82 19.683 -14.236 0.204 1.00 0.00 O ATOM 1355 CB LYS A 82 20.131 -15.439 -2.641 1.00 0.00 C ATOM 1356 CG LYS A 82 19.399 -14.124 -2.842 1.00 0.00 C ATOM 1357 CD LYS A 82 20.037 -13.293 -3.942 1.00 0.00 C ATOM 1358 CE LYS A 82 19.633 -11.830 -3.842 1.00 0.00 C ATOM 1359 NZ LYS A 82 20.640 -10.932 -4.471 1.00 0.00 N ATOM 0 H LYS A 82 17.913 -15.714 -0.560 1.00 0.00 H new ATOM 0 HA LYS A 82 20.364 -17.058 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.204 -15.264 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.857 -16.124 -3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.357 -14.321 -3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.402 -13.559 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.122 -13.377 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.742 -13.687 -4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.666 -11.686 -4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.509 -11.558 -2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.195 -10.021 -4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 21.426 -10.774 -3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.003 -11.373 -5.340 1.00 0.00 H new ATOM 1373 N GLU A 83 21.488 -15.566 0.401 1.00 0.00 N ATOM 1374 CA GLU A 83 22.069 -14.799 1.496 1.00 0.00 C ATOM 1375 C GLU A 83 23.088 -13.791 0.973 1.00 0.00 C ATOM 1376 O GLU A 83 24.295 -14.025 1.031 1.00 0.00 O ATOM 1377 CB GLU A 83 22.735 -15.736 2.507 1.00 0.00 C ATOM 1378 CG GLU A 83 21.754 -16.635 3.241 1.00 0.00 C ATOM 1379 CD GLU A 83 22.445 -17.640 4.141 1.00 0.00 C ATOM 1380 OE1 GLU A 83 23.042 -17.217 5.153 1.00 0.00 O ATOM 1381 OE2 GLU A 83 22.390 -18.849 3.834 1.00 0.00 O ATOM 0 H GLU A 83 22.039 -16.375 0.113 1.00 0.00 H new ATOM 0 HA GLU A 83 21.265 -14.254 1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 83 23.466 -16.357 1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 83 23.284 -15.140 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.081 -16.020 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.140 -17.166 2.514 1.00 0.00 H new ATOM 1388 N GLY A 84 22.593 -12.668 0.462 1.00 0.00 N ATOM 1389 CA GLY A 84 23.472 -11.641 -0.065 1.00 0.00 C ATOM 1390 C GLY A 84 24.382 -12.163 -1.159 1.00 0.00 C ATOM 1391 O GLY A 84 25.432 -12.744 -0.880 1.00 0.00 O ATOM 0 H GLY A 84 21.598 -12.451 0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.872 -10.820 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.078 -11.235 0.745 1.00 0.00 H new ATOM 1395 N LEU A 85 23.981 -11.956 -2.409 1.00 0.00 N ATOM 1396 CA LEU A 85 24.767 -12.412 -3.550 1.00 0.00 C ATOM 1397 C LEU A 85 26.186 -11.856 -3.490 1.00 0.00 C ATOM 1398 O LEU A 85 26.414 -10.674 -3.750 1.00 0.00 O ATOM 1399 CB LEU A 85 24.096 -11.988 -4.858 1.00 0.00 C ATOM 1400 CG LEU A 85 24.344 -12.895 -6.064 1.00 0.00 C ATOM 1401 CD1 LEU A 85 23.278 -12.674 -7.126 1.00 0.00 C ATOM 1402 CD2 LEU A 85 25.732 -12.649 -6.639 1.00 0.00 C ATOM 0 H LEU A 85 23.116 -11.475 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 85 24.821 -13.500 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 85 23.021 -11.928 -4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 85 24.436 -10.983 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 85 24.288 -13.932 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 85 23.471 -13.328 -7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 85 22.297 -12.901 -6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 85 23.302 -11.635 -7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 85 25.892 -13.303 -7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 85 25.816 -11.609 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 85 26.484 -12.859 -5.878 1.00 0.00 H new ATOM 1414 N LYS A 86 27.139 -12.716 -3.147 1.00 0.00 N ATOM 1415 CA LYS A 86 28.537 -12.314 -3.056 1.00 0.00 C ATOM 1416 C LYS A 86 29.448 -13.532 -2.943 1.00 0.00 C ATOM 1417 O LYS A 86 28.977 -14.657 -2.771 1.00 0.00 O ATOM 1418 CB LYS A 86 28.747 -11.394 -1.851 1.00 0.00 C ATOM 1419 CG LYS A 86 28.665 -12.112 -0.516 1.00 0.00 C ATOM 1420 CD LYS A 86 28.432 -11.138 0.628 1.00 0.00 C ATOM 1421 CE LYS A 86 27.761 -11.818 1.811 1.00 0.00 C ATOM 1422 NZ LYS A 86 27.097 -10.835 2.711 1.00 0.00 N ATOM 0 H LYS A 86 26.968 -13.697 -2.927 1.00 0.00 H new ATOM 0 HA LYS A 86 28.793 -11.774 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 86 29.722 -10.914 -1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 86 27.999 -10.602 -1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 86 27.856 -12.842 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 86 29.588 -12.665 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 86 29.384 -10.712 0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 86 27.812 -10.311 0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 86 27.024 -12.534 1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 86 28.504 -12.383 2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 26.651 -11.337 3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 27.805 -10.167 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 26.371 -10.313 2.180 1.00 0.00 H new ATOM 1436 N ASP A 87 30.753 -13.301 -3.039 1.00 0.00 N ATOM 1437 CA ASP A 87 31.729 -14.380 -2.945 1.00 0.00 C ATOM 1438 C ASP A 87 32.470 -14.328 -1.612 1.00 0.00 C ATOM 1439 O ASP A 87 32.575 -15.333 -0.911 1.00 0.00 O ATOM 1440 CB ASP A 87 32.727 -14.296 -4.101 1.00 0.00 C ATOM 1441 CG ASP A 87 33.406 -12.942 -4.181 1.00 0.00 C ATOM 1442 OD1 ASP A 87 32.691 -11.927 -4.305 1.00 0.00 O ATOM 1443 OD2 ASP A 87 34.653 -12.899 -4.121 1.00 0.00 O ATOM 0 H ASP A 87 31.159 -12.376 -3.182 1.00 0.00 H new ATOM 0 HA ASP A 87 31.193 -15.327 -3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 87 33.483 -15.072 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 87 32.210 -14.496 -5.039 1.00 0.00 H new ATOM 1448 N GLU A 88 32.981 -13.150 -1.271 1.00 0.00 N ATOM 1449 CA GLU A 88 33.713 -12.968 -0.023 1.00 0.00 C ATOM 1450 C GLU A 88 32.889 -13.452 1.167 1.00 0.00 C ATOM 1451 O GLU A 88 31.752 -13.024 1.362 1.00 0.00 O ATOM 1452 CB GLU A 88 34.086 -11.496 0.166 1.00 0.00 C ATOM 1453 CG GLU A 88 34.679 -11.189 1.531 1.00 0.00 C ATOM 1454 CD GLU A 88 33.619 -10.949 2.588 1.00 0.00 C ATOM 1455 OE1 GLU A 88 32.931 -9.909 2.512 1.00 0.00 O ATOM 1456 OE2 GLU A 88 33.476 -11.801 3.489 1.00 0.00 O ATOM 0 H GLU A 88 32.902 -12.308 -1.841 1.00 0.00 H new ATOM 0 HA GLU A 88 34.625 -13.562 -0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 88 34.802 -11.209 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 88 33.197 -10.883 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 88 35.315 -12.018 1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 88 35.317 -10.309 1.456 1.00 0.00 H new TER 1463 GLU A 88