USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 733 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+ -179:sc= 0 (180deg=-0.000236) 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= -0.0245 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.678 K(o=-0.68,f=-6.4!) USER MOD Single : A 16 LYS NZ :NH3+ -134:sc= -0.817 (180deg=-2.58!) USER MOD Single : A 18 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.87) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -119:sc= 1.17 (180deg=-0.177) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 48:sc= 0.0484 USER MOD Single : A 36 SER OG : rot -40:sc= -2.6! USER MOD Single : A 41 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.6) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.664 K(o=-0.66,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.638 K(o=0.64,f=-1.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc=-0.00362 K(o=-0.0036,f=-3!) USER MOD Single : A 64 ASN : amide:sc= -1.23 K(o=-1.2,f=0.024) USER MOD Single : A 70 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.15) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -1.1 USER MOD Single : A 78 HIS : no HD1:sc= -0.0908 X(o=-0.091,f=-0.0071) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc=-0.00879 USER MOD Single : A 99 SER OG : rot 47:sc= 0.498 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.418 15.812 27.502 1.00 0.00 N ATOM 2 CA GLY A 1 2.089 15.740 28.914 1.00 0.00 C ATOM 3 C GLY A 1 2.859 14.650 29.633 1.00 0.00 C ATOM 4 O GLY A 1 3.396 14.872 30.718 1.00 0.00 O ATOM 0 H1 GLY A 1 1.879 16.583 27.059 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.436 15.994 27.392 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.175 14.911 27.043 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.301 16.701 29.383 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.020 15.560 29.026 1.00 0.00 H new ATOM 8 N SER A 2 2.912 13.467 29.028 1.00 0.00 N ATOM 9 CA SER A 2 3.617 12.337 29.620 1.00 0.00 C ATOM 10 C SER A 2 4.519 11.660 28.593 1.00 0.00 C ATOM 11 O SER A 2 4.333 11.820 27.386 1.00 0.00 O ATOM 12 CB SER A 2 2.618 11.324 30.184 1.00 0.00 C ATOM 13 OG SER A 2 1.774 11.925 31.151 1.00 0.00 O ATOM 0 H SER A 2 2.475 13.267 28.128 1.00 0.00 H new ATOM 0 HA SER A 2 4.239 12.714 30.432 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.014 10.914 29.374 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.156 10.490 30.634 1.00 0.00 H new ATOM 0 HG SER A 2 1.144 11.258 31.495 1.00 0.00 H new ATOM 19 N SER A 3 5.496 10.902 29.080 1.00 0.00 N ATOM 20 CA SER A 3 6.430 10.203 28.205 1.00 0.00 C ATOM 21 C SER A 3 6.599 8.751 28.640 1.00 0.00 C ATOM 22 O SER A 3 6.175 8.364 29.728 1.00 0.00 O ATOM 23 CB SER A 3 7.788 10.909 28.206 1.00 0.00 C ATOM 24 OG SER A 3 7.670 12.242 27.739 1.00 0.00 O ATOM 0 H SER A 3 5.661 10.756 30.076 1.00 0.00 H new ATOM 0 HA SER A 3 6.022 10.216 27.194 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.201 10.909 29.215 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.487 10.360 27.575 1.00 0.00 H new ATOM 0 HG SER A 3 8.551 12.672 27.751 1.00 0.00 H new ATOM 30 N GLY A 4 7.222 7.950 27.780 1.00 0.00 N ATOM 31 CA GLY A 4 7.436 6.549 28.092 1.00 0.00 C ATOM 32 C GLY A 4 8.704 6.003 27.466 1.00 0.00 C ATOM 33 O GLY A 4 9.649 6.749 27.209 1.00 0.00 O ATOM 0 H GLY A 4 7.582 8.247 26.873 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.486 6.424 29.174 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.583 5.968 27.743 1.00 0.00 H new ATOM 37 N SER A 5 8.725 4.697 27.220 1.00 0.00 N ATOM 38 CA SER A 5 9.889 4.050 26.625 1.00 0.00 C ATOM 39 C SER A 5 9.485 2.777 25.888 1.00 0.00 C ATOM 40 O SER A 5 8.320 2.381 25.904 1.00 0.00 O ATOM 41 CB SER A 5 10.924 3.723 27.703 1.00 0.00 C ATOM 42 OG SER A 5 12.181 3.415 27.126 1.00 0.00 O ATOM 0 H SER A 5 7.950 4.066 27.423 1.00 0.00 H new ATOM 0 HA SER A 5 10.330 4.741 25.906 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.029 4.571 28.380 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.578 2.879 28.300 1.00 0.00 H new ATOM 0 HG SER A 5 12.826 3.211 27.836 1.00 0.00 H new ATOM 48 N SER A 6 10.458 2.141 25.243 1.00 0.00 N ATOM 49 CA SER A 6 10.204 0.914 24.496 1.00 0.00 C ATOM 50 C SER A 6 11.491 0.117 24.308 1.00 0.00 C ATOM 51 O SER A 6 12.543 0.678 24.004 1.00 0.00 O ATOM 52 CB SER A 6 9.588 1.239 23.134 1.00 0.00 C ATOM 53 OG SER A 6 10.364 2.202 22.440 1.00 0.00 O ATOM 0 H SER A 6 11.428 2.454 25.223 1.00 0.00 H new ATOM 0 HA SER A 6 9.502 0.308 25.068 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.514 0.329 22.538 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.574 1.614 23.270 1.00 0.00 H new ATOM 0 HG SER A 6 9.950 2.391 21.572 1.00 0.00 H new ATOM 59 N GLY A 7 11.399 -1.197 24.491 1.00 0.00 N ATOM 60 CA GLY A 7 12.562 -2.051 24.337 1.00 0.00 C ATOM 61 C GLY A 7 12.572 -3.199 25.327 1.00 0.00 C ATOM 62 O GLY A 7 13.491 -3.321 26.136 1.00 0.00 O ATOM 0 H GLY A 7 10.540 -1.685 24.743 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.585 -2.449 23.323 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.466 -1.456 24.466 1.00 0.00 H new ATOM 66 N GLU A 8 11.547 -4.043 25.262 1.00 0.00 N ATOM 67 CA GLU A 8 11.441 -5.186 26.162 1.00 0.00 C ATOM 68 C GLU A 8 11.647 -6.495 25.405 1.00 0.00 C ATOM 69 O GLU A 8 12.445 -7.340 25.810 1.00 0.00 O ATOM 70 CB GLU A 8 10.077 -5.194 26.854 1.00 0.00 C ATOM 71 CG GLU A 8 9.792 -3.933 27.652 1.00 0.00 C ATOM 72 CD GLU A 8 8.706 -4.133 28.692 1.00 0.00 C ATOM 73 OE1 GLU A 8 8.941 -4.889 29.658 1.00 0.00 O ATOM 74 OE2 GLU A 8 7.622 -3.533 28.539 1.00 0.00 O ATOM 0 H GLU A 8 10.779 -3.957 24.596 1.00 0.00 H new ATOM 0 HA GLU A 8 12.222 -5.095 26.917 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.298 -5.322 26.102 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.022 -6.055 27.520 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.707 -3.606 28.146 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.495 -3.136 26.971 1.00 0.00 H new ATOM 81 N GLY A 9 10.921 -6.655 24.303 1.00 0.00 N ATOM 82 CA GLY A 9 11.038 -7.863 23.507 1.00 0.00 C ATOM 83 C GLY A 9 11.964 -7.688 22.320 1.00 0.00 C ATOM 84 O GLY A 9 13.104 -8.153 22.339 1.00 0.00 O ATOM 0 H GLY A 9 10.254 -5.970 23.947 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.407 -8.674 24.135 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.050 -8.158 23.153 1.00 0.00 H new ATOM 88 N ASP A 10 11.473 -7.018 21.283 1.00 0.00 N ATOM 89 CA ASP A 10 12.265 -6.783 20.081 1.00 0.00 C ATOM 90 C ASP A 10 11.896 -5.449 19.440 1.00 0.00 C ATOM 91 O ASP A 10 10.734 -5.044 19.415 1.00 0.00 O ATOM 92 CB ASP A 10 12.058 -7.919 19.078 1.00 0.00 C ATOM 93 CG ASP A 10 12.231 -7.464 17.643 1.00 0.00 C ATOM 94 OD1 ASP A 10 11.420 -6.634 17.182 1.00 0.00 O ATOM 95 OD2 ASP A 10 13.178 -7.937 16.980 1.00 0.00 O ATOM 0 H ASP A 10 10.531 -6.628 21.250 1.00 0.00 H new ATOM 0 HA ASP A 10 13.316 -6.750 20.369 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.766 -8.720 19.290 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.059 -8.335 19.206 1.00 0.00 H new ATOM 100 N PRO A 11 12.909 -4.747 18.909 1.00 0.00 N ATOM 101 CA PRO A 11 12.716 -3.448 18.258 1.00 0.00 C ATOM 102 C PRO A 11 11.974 -3.568 16.931 1.00 0.00 C ATOM 103 O PRO A 11 12.331 -4.386 16.084 1.00 0.00 O ATOM 104 CB PRO A 11 14.145 -2.950 18.029 1.00 0.00 C ATOM 105 CG PRO A 11 14.972 -4.188 17.967 1.00 0.00 C ATOM 106 CD PRO A 11 14.320 -5.169 18.903 1.00 0.00 C ATOM 0 HA PRO A 11 12.108 -2.776 18.863 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.221 -2.376 17.105 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.471 -2.296 18.838 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.008 -4.583 16.952 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.000 -3.986 18.268 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.431 -6.195 18.552 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.757 -5.124 19.900 1.00 0.00 H new ATOM 114 N GLU A 12 10.942 -2.748 16.758 1.00 0.00 N ATOM 115 CA GLU A 12 10.151 -2.765 15.534 1.00 0.00 C ATOM 116 C GLU A 12 10.833 -1.954 14.435 1.00 0.00 C ATOM 117 O GLU A 12 10.759 -0.726 14.419 1.00 0.00 O ATOM 118 CB GLU A 12 8.750 -2.210 15.798 1.00 0.00 C ATOM 119 CG GLU A 12 7.878 -3.132 16.633 1.00 0.00 C ATOM 120 CD GLU A 12 7.141 -4.157 15.793 1.00 0.00 C ATOM 121 OE1 GLU A 12 7.612 -4.457 14.676 1.00 0.00 O ATOM 122 OE2 GLU A 12 6.094 -4.658 16.252 1.00 0.00 O ATOM 0 H GLU A 12 10.635 -2.064 17.450 1.00 0.00 H new ATOM 0 HA GLU A 12 10.067 -3.799 15.200 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.839 -1.249 16.305 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.257 -2.022 14.844 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.498 -3.647 17.366 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.155 -2.536 17.190 1.00 0.00 H new ATOM 129 N ASN A 13 11.496 -2.651 13.518 1.00 0.00 N ATOM 130 CA ASN A 13 12.192 -1.997 12.416 1.00 0.00 C ATOM 131 C ASN A 13 11.233 -1.132 11.604 1.00 0.00 C ATOM 132 O ASN A 13 11.294 0.096 11.654 1.00 0.00 O ATOM 133 CB ASN A 13 12.848 -3.039 11.509 1.00 0.00 C ATOM 134 CG ASN A 13 11.971 -4.259 11.301 1.00 0.00 C ATOM 135 OD1 ASN A 13 11.556 -4.910 12.260 1.00 0.00 O ATOM 136 ND2 ASN A 13 11.685 -4.574 10.043 1.00 0.00 N ATOM 0 H ASN A 13 11.566 -3.669 13.516 1.00 0.00 H new ATOM 0 HA ASN A 13 12.965 -1.354 12.838 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.071 -2.587 10.543 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.799 -3.348 11.944 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.099 -5.384 9.841 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.051 -4.006 9.279 1.00 0.00 H new ATOM 143 N GLY A 14 10.347 -1.782 10.856 1.00 0.00 N ATOM 144 CA GLY A 14 9.387 -1.057 10.045 1.00 0.00 C ATOM 145 C GLY A 14 8.098 -0.769 10.789 1.00 0.00 C ATOM 146 O GLY A 14 7.880 -1.283 11.886 1.00 0.00 O ATOM 0 H GLY A 14 10.277 -2.798 10.797 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.831 -0.117 9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.164 -1.635 9.148 1.00 0.00 H new ATOM 150 N GLU A 15 7.243 0.056 10.193 1.00 0.00 N ATOM 151 CA GLU A 15 5.971 0.413 10.809 1.00 0.00 C ATOM 152 C GLU A 15 4.872 0.534 9.757 1.00 0.00 C ATOM 153 O GLU A 15 5.145 0.780 8.582 1.00 0.00 O ATOM 154 CB GLU A 15 6.102 1.729 11.579 1.00 0.00 C ATOM 155 CG GLU A 15 4.770 2.397 11.873 1.00 0.00 C ATOM 156 CD GLU A 15 4.906 3.576 12.818 1.00 0.00 C ATOM 157 OE1 GLU A 15 5.355 3.370 13.964 1.00 0.00 O ATOM 158 OE2 GLU A 15 4.561 4.705 12.409 1.00 0.00 O ATOM 0 H GLU A 15 7.408 0.489 9.285 1.00 0.00 H new ATOM 0 HA GLU A 15 5.699 -0.381 11.505 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.619 1.540 12.520 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.724 2.416 11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.323 2.735 10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.088 1.665 12.306 1.00 0.00 H new ATOM 165 N LYS A 16 3.627 0.359 10.187 1.00 0.00 N ATOM 166 CA LYS A 16 2.485 0.449 9.285 1.00 0.00 C ATOM 167 C LYS A 16 2.183 1.902 8.933 1.00 0.00 C ATOM 168 O LYS A 16 1.886 2.715 9.809 1.00 0.00 O ATOM 169 CB LYS A 16 1.253 -0.199 9.922 1.00 0.00 C ATOM 170 CG LYS A 16 1.127 -1.683 9.627 1.00 0.00 C ATOM 171 CD LYS A 16 1.882 -2.520 10.646 1.00 0.00 C ATOM 172 CE LYS A 16 1.108 -2.645 11.949 1.00 0.00 C ATOM 173 NZ LYS A 16 1.435 -1.544 12.897 1.00 0.00 N ATOM 0 H LYS A 16 3.383 0.154 11.156 1.00 0.00 H new ATOM 0 HA LYS A 16 2.735 -0.084 8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.293 -0.054 11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.359 0.311 9.565 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.075 -1.967 9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.511 -1.890 8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.069 -3.513 10.236 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.854 -2.068 10.841 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.039 -2.637 11.738 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.334 -3.604 12.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.599 -1.939 13.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.292 -1.051 12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.643 -0.871 12.935 1.00 0.00 H new ATOM 187 N LEU A 17 2.261 2.223 7.646 1.00 0.00 N ATOM 188 CA LEU A 17 1.994 3.578 7.177 1.00 0.00 C ATOM 189 C LEU A 17 0.882 3.585 6.133 1.00 0.00 C ATOM 190 O LEU A 17 0.894 2.788 5.196 1.00 0.00 O ATOM 191 CB LEU A 17 3.265 4.195 6.590 1.00 0.00 C ATOM 192 CG LEU A 17 4.498 4.179 7.493 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.770 4.135 6.660 1.00 0.00 C ATOM 194 CD2 LEU A 17 4.502 5.393 8.411 1.00 0.00 C ATOM 0 H LEU A 17 2.507 1.563 6.908 1.00 0.00 H new ATOM 0 HA LEU A 17 1.669 4.173 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.508 3.668 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.051 5.229 6.319 1.00 0.00 H new ATOM 0 HG LEU A 17 4.461 3.281 8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.637 4.124 7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.771 3.235 6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.815 5.014 6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.387 5.365 9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.515 6.303 7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.607 5.381 9.034 1.00 0.00 H new ATOM 206 N GLN A 18 -0.076 4.491 6.302 1.00 0.00 N ATOM 207 CA GLN A 18 -1.194 4.601 5.373 1.00 0.00 C ATOM 208 C GLN A 18 -0.895 5.622 4.280 1.00 0.00 C ATOM 209 O GLN A 18 -0.238 6.634 4.526 1.00 0.00 O ATOM 210 CB GLN A 18 -2.469 4.996 6.120 1.00 0.00 C ATOM 211 CG GLN A 18 -3.739 4.458 5.483 1.00 0.00 C ATOM 212 CD GLN A 18 -4.889 4.358 6.466 1.00 0.00 C ATOM 213 OE1 GLN A 18 -4.892 5.021 7.504 1.00 0.00 O ATOM 214 NE2 GLN A 18 -5.873 3.527 6.144 1.00 0.00 N ATOM 0 H GLN A 18 -0.100 5.159 7.073 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.342 3.627 4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.406 4.634 7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.529 6.083 6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.029 5.106 4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.540 3.473 5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.829 2.997 5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.673 3.418 6.767 1.00 0.00 H new ATOM 223 N ILE A 19 -1.380 5.349 3.073 1.00 0.00 N ATOM 224 CA ILE A 19 -1.164 6.244 1.943 1.00 0.00 C ATOM 225 C ILE A 19 -2.462 6.491 1.182 1.00 0.00 C ATOM 226 O ILE A 19 -2.923 5.637 0.424 1.00 0.00 O ATOM 227 CB ILE A 19 -0.111 5.680 0.971 1.00 0.00 C ATOM 228 CG1 ILE A 19 1.195 5.388 1.712 1.00 0.00 C ATOM 229 CG2 ILE A 19 0.129 6.655 -0.173 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.994 6.630 2.041 1.00 0.00 C ATOM 0 H ILE A 19 -1.925 4.515 2.853 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.800 7.187 2.352 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.486 4.745 0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.968 4.857 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.807 4.722 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.876 6.243 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.803 6.817 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.487 7.604 0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.907 6.347 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.252 7.151 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.400 7.288 2.675 1.00 0.00 H new ATOM 242 N THR A 20 -3.048 7.667 1.387 1.00 0.00 N ATOM 243 CA THR A 20 -4.293 8.027 0.720 1.00 0.00 C ATOM 244 C THR A 20 -4.026 8.621 -0.658 1.00 0.00 C ATOM 245 O THR A 20 -3.282 9.593 -0.792 1.00 0.00 O ATOM 246 CB THR A 20 -5.104 9.037 1.554 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.302 8.532 2.879 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.452 9.315 0.905 1.00 0.00 C ATOM 0 H THR A 20 -2.680 8.386 2.010 1.00 0.00 H new ATOM 0 HA THR A 20 -4.871 7.109 0.611 1.00 0.00 H new ATOM 0 HB THR A 20 -4.542 9.970 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.817 9.181 3.403 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.007 10.031 1.511 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.298 9.727 -0.092 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.018 8.387 0.830 1.00 0.00 H new ATOM 256 N ILE A 21 -4.638 8.032 -1.680 1.00 0.00 N ATOM 257 CA ILE A 21 -4.467 8.504 -3.048 1.00 0.00 C ATOM 258 C ILE A 21 -5.764 9.093 -3.592 1.00 0.00 C ATOM 259 O ILE A 21 -6.832 8.493 -3.463 1.00 0.00 O ATOM 260 CB ILE A 21 -3.999 7.372 -3.980 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.865 6.579 -3.327 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.552 7.939 -5.320 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.510 5.309 -4.068 1.00 0.00 C ATOM 0 H ILE A 21 -5.257 7.227 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.702 9.280 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.836 6.696 -4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.980 7.212 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.151 6.326 -2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.224 7.126 -5.968 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.384 8.463 -5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.727 8.634 -5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.699 4.799 -3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.382 4.656 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.193 5.556 -5.081 1.00 0.00 H new ATOM 275 N ARG A 22 -5.664 10.269 -4.203 1.00 0.00 N ATOM 276 CA ARG A 22 -6.829 10.938 -4.768 1.00 0.00 C ATOM 277 C ARG A 22 -6.686 11.096 -6.279 1.00 0.00 C ATOM 278 O ARG A 22 -5.774 11.771 -6.758 1.00 0.00 O ATOM 279 CB ARG A 22 -7.022 12.309 -4.117 1.00 0.00 C ATOM 280 CG ARG A 22 -8.449 12.827 -4.199 1.00 0.00 C ATOM 281 CD ARG A 22 -8.501 14.340 -4.058 1.00 0.00 C ATOM 282 NE ARG A 22 -9.836 14.811 -3.700 1.00 0.00 N ATOM 283 CZ ARG A 22 -10.830 14.934 -4.573 1.00 0.00 C ATOM 284 NH1 ARG A 22 -10.640 14.623 -5.847 1.00 0.00 N ATOM 285 NH2 ARG A 22 -12.018 15.369 -4.170 1.00 0.00 N ATOM 0 H ARG A 22 -4.788 10.778 -4.319 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.704 10.321 -4.566 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.726 12.249 -3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.356 13.026 -4.596 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.889 12.534 -5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.050 12.366 -3.415 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.788 14.658 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.193 14.802 -4.996 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.015 15.059 -2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.729 14.288 -6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.405 14.718 -6.515 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.168 15.609 -3.190 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.781 15.463 -4.840 1.00 0.00 H new ATOM 299 N ARG A 23 -7.591 10.470 -7.023 1.00 0.00 N ATOM 300 CA ARG A 23 -7.564 10.540 -8.479 1.00 0.00 C ATOM 301 C ARG A 23 -7.046 11.896 -8.948 1.00 0.00 C ATOM 302 O ARG A 23 -7.784 12.880 -8.973 1.00 0.00 O ATOM 303 CB ARG A 23 -8.962 10.292 -9.048 1.00 0.00 C ATOM 304 CG ARG A 23 -8.954 9.645 -10.424 1.00 0.00 C ATOM 305 CD ARG A 23 -10.334 9.137 -10.809 1.00 0.00 C ATOM 306 NE ARG A 23 -10.344 8.534 -12.140 1.00 0.00 N ATOM 307 CZ ARG A 23 -10.017 7.269 -12.376 1.00 0.00 C ATOM 308 NH1 ARG A 23 -9.657 6.476 -11.376 1.00 0.00 N ATOM 309 NH2 ARG A 23 -10.050 6.794 -13.614 1.00 0.00 N ATOM 0 H ARG A 23 -8.352 9.908 -6.642 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.888 9.766 -8.843 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.517 9.655 -8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.495 11.241 -9.105 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.611 10.367 -11.165 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.245 8.817 -10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.667 8.403 -10.076 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.045 9.962 -10.780 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.617 9.117 -12.931 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.631 6.837 -10.423 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.406 5.505 -11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.327 7.401 -14.386 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.799 5.822 -13.794 1.00 0.00 H new ATOM 323 N GLY A 24 -5.769 11.939 -9.320 1.00 0.00 N ATOM 324 CA GLY A 24 -5.173 13.179 -9.783 1.00 0.00 C ATOM 325 C GLY A 24 -4.573 13.051 -11.169 1.00 0.00 C ATOM 326 O GLY A 24 -5.224 12.563 -12.093 1.00 0.00 O ATOM 0 H GLY A 24 -5.138 11.138 -9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.931 13.963 -9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.398 13.490 -9.082 1.00 0.00 H new ATOM 330 N LYS A 25 -3.328 13.492 -11.315 1.00 0.00 N ATOM 331 CA LYS A 25 -2.639 13.426 -12.599 1.00 0.00 C ATOM 332 C LYS A 25 -2.861 12.073 -13.267 1.00 0.00 C ATOM 333 O LYS A 25 -2.184 11.095 -12.950 1.00 0.00 O ATOM 334 CB LYS A 25 -1.141 13.673 -12.409 1.00 0.00 C ATOM 335 CG LYS A 25 -0.429 14.099 -13.681 1.00 0.00 C ATOM 336 CD LYS A 25 -0.151 12.912 -14.589 1.00 0.00 C ATOM 337 CE LYS A 25 0.959 13.219 -15.583 1.00 0.00 C ATOM 338 NZ LYS A 25 2.306 13.126 -14.956 1.00 0.00 N ATOM 0 H LYS A 25 -2.775 13.899 -10.560 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.051 14.202 -13.245 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.002 14.442 -11.649 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.676 12.763 -12.030 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.038 14.830 -14.213 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.510 14.591 -13.426 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.128 12.048 -13.985 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.060 12.644 -15.128 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.899 12.524 -16.420 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.816 14.220 -15.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.780 14.050 -15.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.206 12.850 -13.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.874 12.413 -15.457 1.00 0.00 H new ATOM 352 N ASP A 26 -3.813 12.025 -14.192 1.00 0.00 N ATOM 353 CA ASP A 26 -4.123 10.792 -14.907 1.00 0.00 C ATOM 354 C ASP A 26 -4.594 9.709 -13.943 1.00 0.00 C ATOM 355 O ASP A 26 -4.133 8.569 -13.999 1.00 0.00 O ATOM 356 CB ASP A 26 -2.897 10.305 -15.681 1.00 0.00 C ATOM 357 CG ASP A 26 -3.144 8.985 -16.385 1.00 0.00 C ATOM 358 OD1 ASP A 26 -4.301 8.729 -16.780 1.00 0.00 O ATOM 359 OD2 ASP A 26 -2.180 8.207 -16.541 1.00 0.00 O ATOM 0 H ASP A 26 -4.384 12.825 -14.465 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.928 11.002 -15.611 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.612 11.058 -16.416 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.057 10.196 -14.995 1.00 0.00 H new ATOM 364 N GLY A 27 -5.516 10.073 -13.056 1.00 0.00 N ATOM 365 CA GLY A 27 -6.034 9.121 -12.091 1.00 0.00 C ATOM 366 C GLY A 27 -4.933 8.417 -11.322 1.00 0.00 C ATOM 367 O GLY A 27 -3.754 8.731 -11.486 1.00 0.00 O ATOM 0 H GLY A 27 -5.913 11.010 -12.989 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.689 9.639 -11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.643 8.380 -12.608 1.00 0.00 H new ATOM 371 N PHE A 28 -5.318 7.464 -10.480 1.00 0.00 N ATOM 372 CA PHE A 28 -4.355 6.716 -9.681 1.00 0.00 C ATOM 373 C PHE A 28 -3.102 6.401 -10.493 1.00 0.00 C ATOM 374 O PHE A 28 -3.044 5.395 -11.199 1.00 0.00 O ATOM 375 CB PHE A 28 -4.984 5.419 -9.168 1.00 0.00 C ATOM 376 CG PHE A 28 -6.243 5.635 -8.378 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.401 6.768 -7.597 1.00 0.00 C ATOM 378 CD2 PHE A 28 -7.269 4.705 -8.417 1.00 0.00 C ATOM 379 CE1 PHE A 28 -7.558 6.969 -6.869 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.429 4.900 -7.691 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.574 6.034 -6.917 1.00 0.00 C ATOM 0 H PHE A 28 -6.290 7.192 -10.333 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.069 7.334 -8.830 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.204 4.771 -10.016 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.259 4.895 -8.545 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.611 7.503 -7.557 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.161 3.817 -9.022 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.668 7.856 -6.263 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.221 4.166 -7.729 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.480 6.190 -6.350 1.00 0.00 H new ATOM 391 N GLY A 29 -2.101 7.269 -10.388 1.00 0.00 N ATOM 392 CA GLY A 29 -0.863 7.067 -11.118 1.00 0.00 C ATOM 393 C GLY A 29 -0.001 5.980 -10.507 1.00 0.00 C ATOM 394 O GLY A 29 1.187 6.185 -10.260 1.00 0.00 O ATOM 0 H GLY A 29 -2.125 8.109 -9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.092 6.807 -12.151 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.302 8.001 -11.142 1.00 0.00 H new ATOM 398 N PHE A 30 -0.600 4.819 -10.262 1.00 0.00 N ATOM 399 CA PHE A 30 0.120 3.696 -9.673 1.00 0.00 C ATOM 400 C PHE A 30 -0.472 2.368 -10.137 1.00 0.00 C ATOM 401 O PHE A 30 -1.684 2.243 -10.314 1.00 0.00 O ATOM 402 CB PHE A 30 0.079 3.780 -8.146 1.00 0.00 C ATOM 403 CG PHE A 30 -1.206 3.281 -7.552 1.00 0.00 C ATOM 404 CD1 PHE A 30 -1.386 1.932 -7.290 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.236 4.160 -7.257 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.568 1.469 -6.743 1.00 0.00 C ATOM 407 CE2 PHE A 30 -3.420 3.703 -6.710 1.00 0.00 C ATOM 408 CZ PHE A 30 -3.587 2.356 -6.453 1.00 0.00 C ATOM 0 H PHE A 30 -1.582 4.631 -10.462 1.00 0.00 H new ATOM 0 HA PHE A 30 1.157 3.747 -10.004 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.908 3.202 -7.736 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.232 4.816 -7.843 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.593 1.234 -7.516 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.112 5.214 -7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.695 0.415 -6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.214 4.399 -6.484 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.512 1.997 -6.026 1.00 0.00 H new ATOM 418 N THR A 31 0.393 1.378 -10.332 1.00 0.00 N ATOM 419 CA THR A 31 -0.041 0.059 -10.776 1.00 0.00 C ATOM 420 C THR A 31 0.328 -1.013 -9.757 1.00 0.00 C ATOM 421 O THR A 31 1.379 -0.942 -9.120 1.00 0.00 O ATOM 422 CB THR A 31 0.578 -0.307 -12.138 1.00 0.00 C ATOM 423 OG1 THR A 31 0.511 0.815 -13.024 1.00 0.00 O ATOM 424 CG2 THR A 31 -0.143 -1.494 -12.758 1.00 0.00 C ATOM 0 H THR A 31 1.399 1.465 -10.189 1.00 0.00 H new ATOM 0 HA THR A 31 -1.125 0.101 -10.878 1.00 0.00 H new ATOM 0 HB THR A 31 1.621 -0.580 -11.977 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.908 0.574 -13.887 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.312 -1.734 -13.719 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.064 -2.355 -12.094 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.194 -1.245 -12.906 1.00 0.00 H new ATOM 432 N ILE A 32 -0.543 -2.006 -9.609 1.00 0.00 N ATOM 433 CA ILE A 32 -0.306 -3.095 -8.669 1.00 0.00 C ATOM 434 C ILE A 32 -0.921 -4.397 -9.170 1.00 0.00 C ATOM 435 O ILE A 32 -2.105 -4.449 -9.505 1.00 0.00 O ATOM 436 CB ILE A 32 -0.881 -2.772 -7.277 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.386 -2.515 -7.371 1.00 0.00 C ATOM 438 CG2 ILE A 32 -0.169 -1.569 -6.677 1.00 0.00 C ATOM 439 CD1 ILE A 32 -3.224 -3.762 -7.194 1.00 0.00 C ATOM 0 H ILE A 32 -1.418 -2.079 -10.128 1.00 0.00 H new ATOM 0 HA ILE A 32 0.775 -3.213 -8.589 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.718 -3.629 -6.624 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.670 -1.786 -6.612 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.611 -2.071 -8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.586 -1.353 -5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.895 -1.787 -6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.305 -0.704 -7.327 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.280 -3.505 -7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.968 -4.485 -7.968 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.028 -4.196 -6.213 1.00 0.00 H new ATOM 451 N CYS A 33 -0.109 -5.448 -9.219 1.00 0.00 N ATOM 452 CA CYS A 33 -0.573 -6.752 -9.678 1.00 0.00 C ATOM 453 C CYS A 33 0.198 -7.876 -8.993 1.00 0.00 C ATOM 454 O CYS A 33 1.426 -7.938 -9.072 1.00 0.00 O ATOM 455 CB CYS A 33 -0.421 -6.865 -11.196 1.00 0.00 C ATOM 456 SG CYS A 33 -1.203 -8.331 -11.909 1.00 0.00 S ATOM 0 H CYS A 33 0.874 -5.422 -8.946 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.627 -6.847 -9.417 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.848 -5.976 -11.660 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.640 -6.875 -11.444 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.022 -8.336 -13.196 1.00 0.00 H new ATOM 462 N CYS A 34 -0.529 -8.760 -8.320 1.00 0.00 N ATOM 463 CA CYS A 34 0.087 -9.881 -7.618 1.00 0.00 C ATOM 464 C CYS A 34 -0.976 -10.812 -7.042 1.00 0.00 C ATOM 465 O CYS A 34 -2.173 -10.598 -7.234 1.00 0.00 O ATOM 466 CB CYS A 34 0.996 -9.371 -6.499 1.00 0.00 C ATOM 467 SG CYS A 34 2.734 -9.217 -6.973 1.00 0.00 S ATOM 0 H CYS A 34 -1.546 -8.723 -8.245 1.00 0.00 H new ATOM 0 HA CYS A 34 0.686 -10.442 -8.335 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.634 -8.398 -6.166 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.921 -10.048 -5.648 1.00 0.00 H new ATOM 0 HG CYS A 34 2.819 -8.601 -8.115 1.00 0.00 H new ATOM 473 N ASP A 35 -0.530 -11.845 -6.337 1.00 0.00 N ATOM 474 CA ASP A 35 -1.442 -12.810 -5.734 1.00 0.00 C ATOM 475 C ASP A 35 -1.318 -12.797 -4.213 1.00 0.00 C ATOM 476 O ASP A 35 -0.214 -12.756 -3.671 1.00 0.00 O ATOM 477 CB ASP A 35 -1.160 -14.215 -6.269 1.00 0.00 C ATOM 478 CG ASP A 35 -0.611 -14.196 -7.682 1.00 0.00 C ATOM 479 OD1 ASP A 35 -1.323 -13.717 -8.589 1.00 0.00 O ATOM 480 OD2 ASP A 35 0.531 -14.662 -7.881 1.00 0.00 O ATOM 0 H ASP A 35 0.458 -12.036 -6.169 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.460 -12.526 -6.001 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.448 -14.715 -5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.079 -14.800 -6.247 1.00 0.00 H new ATOM 485 N SER A 36 -2.458 -12.832 -3.532 1.00 0.00 N ATOM 486 CA SER A 36 -2.478 -12.819 -2.073 1.00 0.00 C ATOM 487 C SER A 36 -1.261 -13.545 -1.508 1.00 0.00 C ATOM 488 O SER A 36 -1.026 -14.723 -1.779 1.00 0.00 O ATOM 489 CB SER A 36 -3.761 -13.471 -1.554 1.00 0.00 C ATOM 490 OG SER A 36 -4.906 -12.756 -1.985 1.00 0.00 O ATOM 0 H SER A 36 -3.380 -12.870 -3.966 1.00 0.00 H new ATOM 0 HA SER A 36 -2.447 -11.781 -1.742 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.818 -14.501 -1.906 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.740 -13.507 -0.465 1.00 0.00 H new ATOM 0 HG SER A 36 -4.727 -11.794 -1.940 1.00 0.00 H new ATOM 496 N PRO A 37 -0.466 -12.825 -0.701 1.00 0.00 N ATOM 497 CA PRO A 37 -0.735 -11.423 -0.372 1.00 0.00 C ATOM 498 C PRO A 37 -0.527 -10.496 -1.565 1.00 0.00 C ATOM 499 O PRO A 37 0.299 -10.767 -2.437 1.00 0.00 O ATOM 500 CB PRO A 37 0.285 -11.115 0.728 1.00 0.00 C ATOM 501 CG PRO A 37 1.397 -12.079 0.494 1.00 0.00 C ATOM 502 CD PRO A 37 0.756 -13.326 -0.050 1.00 0.00 C ATOM 0 HA PRO A 37 -1.770 -11.268 -0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.635 -10.085 0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.150 -11.245 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.123 -11.674 -0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.934 -12.288 1.419 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.408 -13.837 -0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.526 -14.038 0.742 1.00 0.00 H new ATOM 510 N VAL A 38 -1.281 -9.402 -1.598 1.00 0.00 N ATOM 511 CA VAL A 38 -1.178 -8.435 -2.684 1.00 0.00 C ATOM 512 C VAL A 38 0.021 -7.514 -2.488 1.00 0.00 C ATOM 513 O VAL A 38 0.330 -7.111 -1.366 1.00 0.00 O ATOM 514 CB VAL A 38 -2.454 -7.581 -2.797 1.00 0.00 C ATOM 515 CG1 VAL A 38 -2.191 -6.334 -3.629 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.591 -8.398 -3.393 1.00 0.00 C ATOM 0 H VAL A 38 -1.970 -9.163 -0.885 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.048 -9.005 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.748 -7.266 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.104 -5.743 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.409 -5.740 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.871 -6.625 -4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.485 -7.779 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.308 -8.744 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.796 -9.257 -2.754 1.00 0.00 H new ATOM 526 N ARG A 39 0.693 -7.185 -3.586 1.00 0.00 N ATOM 527 CA ARG A 39 1.860 -6.311 -3.535 1.00 0.00 C ATOM 528 C ARG A 39 1.792 -5.249 -4.628 1.00 0.00 C ATOM 529 O ARG A 39 0.945 -5.314 -5.519 1.00 0.00 O ATOM 530 CB ARG A 39 3.143 -7.130 -3.684 1.00 0.00 C ATOM 531 CG ARG A 39 3.679 -7.667 -2.367 1.00 0.00 C ATOM 532 CD ARG A 39 5.149 -8.040 -2.474 1.00 0.00 C ATOM 533 NE ARG A 39 5.333 -9.430 -2.884 1.00 0.00 N ATOM 534 CZ ARG A 39 6.427 -9.879 -3.489 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.429 -9.052 -3.754 1.00 0.00 N ATOM 536 NH2 ARG A 39 6.520 -11.158 -3.831 1.00 0.00 N ATOM 0 H ARG A 39 0.450 -7.510 -4.522 1.00 0.00 H new ATOM 0 HA ARG A 39 1.866 -5.811 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.954 -7.966 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.908 -6.510 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.549 -6.917 -1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.102 -8.542 -2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.638 -7.382 -3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.635 -7.879 -1.512 1.00 0.00 H new ATOM 0 HE ARG A 39 4.580 -10.092 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.361 -8.068 -3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.268 -9.400 -4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.751 -11.797 -3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.360 -11.502 -4.296 1.00 0.00 H new ATOM 550 N VAL A 40 2.689 -4.271 -4.552 1.00 0.00 N ATOM 551 CA VAL A 40 2.731 -3.195 -5.535 1.00 0.00 C ATOM 552 C VAL A 40 3.524 -3.609 -6.769 1.00 0.00 C ATOM 553 O VAL A 40 4.471 -4.390 -6.677 1.00 0.00 O ATOM 554 CB VAL A 40 3.355 -1.917 -4.942 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.665 -0.914 -6.042 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.430 -1.308 -3.899 1.00 0.00 C ATOM 0 H VAL A 40 3.396 -4.202 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 40 1.700 -2.988 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 40 4.292 -2.184 -4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.105 -0.018 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.368 -1.355 -6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.745 -0.649 -6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.886 -0.406 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.476 -1.054 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.264 -2.026 -3.096 1.00 0.00 H new ATOM 566 N GLN A 41 3.132 -3.079 -7.923 1.00 0.00 N ATOM 567 CA GLN A 41 3.807 -3.394 -9.177 1.00 0.00 C ATOM 568 C GLN A 41 4.864 -2.345 -9.504 1.00 0.00 C ATOM 569 O GLN A 41 6.062 -2.617 -9.443 1.00 0.00 O ATOM 570 CB GLN A 41 2.792 -3.486 -10.318 1.00 0.00 C ATOM 571 CG GLN A 41 3.342 -4.152 -11.569 1.00 0.00 C ATOM 572 CD GLN A 41 4.212 -3.220 -12.391 1.00 0.00 C ATOM 573 OE1 GLN A 41 5.436 -3.350 -12.408 1.00 0.00 O ATOM 574 NE2 GLN A 41 3.582 -2.274 -13.077 1.00 0.00 N ATOM 0 H GLN A 41 2.351 -2.430 -8.016 1.00 0.00 H new ATOM 0 HA GLN A 41 4.302 -4.358 -9.062 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.920 -4.042 -9.974 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.450 -2.482 -10.571 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.923 -5.029 -11.284 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.513 -4.505 -12.183 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.565 -2.204 -13.033 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.115 -1.618 -13.648 1.00 0.00 H new ATOM 583 N ALA A 42 4.412 -1.145 -9.853 1.00 0.00 N ATOM 584 CA ALA A 42 5.319 -0.054 -10.189 1.00 0.00 C ATOM 585 C ALA A 42 4.640 1.299 -10.009 1.00 0.00 C ATOM 586 O ALA A 42 3.477 1.476 -10.374 1.00 0.00 O ATOM 587 CB ALA A 42 5.824 -0.209 -11.615 1.00 0.00 C ATOM 0 H ALA A 42 3.423 -0.904 -9.910 1.00 0.00 H new ATOM 0 HA ALA A 42 6.169 -0.097 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.500 0.612 -11.853 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.355 -1.156 -11.712 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.979 -0.194 -12.304 1.00 0.00 H new ATOM 593 N VAL A 43 5.373 2.253 -9.444 1.00 0.00 N ATOM 594 CA VAL A 43 4.842 3.592 -9.216 1.00 0.00 C ATOM 595 C VAL A 43 5.191 4.525 -10.369 1.00 0.00 C ATOM 596 O VAL A 43 6.358 4.668 -10.735 1.00 0.00 O ATOM 597 CB VAL A 43 5.378 4.193 -7.903 1.00 0.00 C ATOM 598 CG1 VAL A 43 4.725 5.538 -7.625 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.152 3.232 -6.746 1.00 0.00 C ATOM 0 H VAL A 43 6.337 2.124 -9.136 1.00 0.00 H new ATOM 0 HA VAL A 43 3.759 3.495 -9.146 1.00 0.00 H new ATOM 0 HB VAL A 43 6.451 4.352 -8.009 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.116 5.947 -6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.944 6.225 -8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.646 5.408 -7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.537 3.673 -5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.085 3.039 -6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.672 2.295 -6.944 1.00 0.00 H new ATOM 609 N ASP A 44 4.172 5.159 -10.939 1.00 0.00 N ATOM 610 CA ASP A 44 4.371 6.081 -12.051 1.00 0.00 C ATOM 611 C ASP A 44 5.072 7.353 -11.584 1.00 0.00 C ATOM 612 O ASP A 44 4.727 7.918 -10.546 1.00 0.00 O ATOM 613 CB ASP A 44 3.030 6.432 -12.697 1.00 0.00 C ATOM 614 CG ASP A 44 3.164 6.753 -14.173 1.00 0.00 C ATOM 615 OD1 ASP A 44 4.155 7.414 -14.548 1.00 0.00 O ATOM 616 OD2 ASP A 44 2.278 6.345 -14.952 1.00 0.00 O ATOM 0 H ASP A 44 3.200 5.051 -10.649 1.00 0.00 H new ATOM 0 HA ASP A 44 5.004 5.589 -12.789 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.340 5.598 -12.571 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.594 7.287 -12.180 1.00 0.00 H new ATOM 621 N SER A 45 6.058 7.797 -12.356 1.00 0.00 N ATOM 622 CA SER A 45 6.811 9.000 -12.019 1.00 0.00 C ATOM 623 C SER A 45 6.021 10.254 -12.379 1.00 0.00 C ATOM 624 O SER A 45 5.895 10.608 -13.550 1.00 0.00 O ATOM 625 CB SER A 45 8.157 9.005 -12.747 1.00 0.00 C ATOM 626 OG SER A 45 8.968 7.921 -12.327 1.00 0.00 O ATOM 0 H SER A 45 6.355 7.342 -13.219 1.00 0.00 H new ATOM 0 HA SER A 45 6.987 8.999 -10.943 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.992 8.945 -13.823 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.674 9.945 -12.556 1.00 0.00 H new ATOM 0 HG SER A 45 9.822 7.945 -12.808 1.00 0.00 H new ATOM 632 N GLY A 46 5.490 10.924 -11.360 1.00 0.00 N ATOM 633 CA GLY A 46 4.718 12.132 -11.588 1.00 0.00 C ATOM 634 C GLY A 46 3.227 11.901 -11.451 1.00 0.00 C ATOM 635 O GLY A 46 2.434 12.442 -12.221 1.00 0.00 O ATOM 0 H GLY A 46 5.581 10.652 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.030 12.899 -10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.933 12.514 -12.586 1.00 0.00 H new ATOM 639 N GLY A 47 2.842 11.093 -10.467 1.00 0.00 N ATOM 640 CA GLY A 47 1.436 10.804 -10.251 1.00 0.00 C ATOM 641 C GLY A 47 0.983 11.148 -8.846 1.00 0.00 C ATOM 642 O GLY A 47 1.777 11.549 -7.996 1.00 0.00 O ATOM 0 H GLY A 47 3.479 10.634 -9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.838 11.365 -10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.252 9.746 -10.440 1.00 0.00 H new ATOM 646 N PRO A 48 -0.323 10.991 -8.587 1.00 0.00 N ATOM 647 CA PRO A 48 -0.911 11.283 -7.276 1.00 0.00 C ATOM 648 C PRO A 48 -0.479 10.280 -6.211 1.00 0.00 C ATOM 649 O PRO A 48 -0.585 10.547 -5.014 1.00 0.00 O ATOM 650 CB PRO A 48 -2.416 11.177 -7.530 1.00 0.00 C ATOM 651 CG PRO A 48 -2.540 10.263 -8.699 1.00 0.00 C ATOM 652 CD PRO A 48 -1.328 10.516 -9.553 1.00 0.00 C ATOM 0 HA PRO A 48 -0.597 12.255 -6.896 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.937 10.779 -6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.851 12.153 -7.743 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.581 9.222 -8.378 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.457 10.462 -9.254 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.999 9.610 -10.062 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.528 11.260 -10.324 1.00 0.00 H new ATOM 660 N ALA A 49 0.009 9.126 -6.654 1.00 0.00 N ATOM 661 CA ALA A 49 0.460 8.085 -5.739 1.00 0.00 C ATOM 662 C ALA A 49 1.855 8.390 -5.205 1.00 0.00 C ATOM 663 O ALA A 49 2.118 8.244 -4.012 1.00 0.00 O ATOM 664 CB ALA A 49 0.441 6.730 -6.431 1.00 0.00 C ATOM 0 H ALA A 49 0.102 8.888 -7.642 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.226 8.057 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.780 5.962 -5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.574 6.502 -6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.103 6.754 -7.297 1.00 0.00 H new ATOM 670 N GLU A 50 2.746 8.813 -6.097 1.00 0.00 N ATOM 671 CA GLU A 50 4.115 9.136 -5.714 1.00 0.00 C ATOM 672 C GLU A 50 4.142 10.271 -4.694 1.00 0.00 C ATOM 673 O GLU A 50 4.801 10.174 -3.659 1.00 0.00 O ATOM 674 CB GLU A 50 4.935 9.524 -6.946 1.00 0.00 C ATOM 675 CG GLU A 50 6.435 9.380 -6.750 1.00 0.00 C ATOM 676 CD GLU A 50 7.233 10.296 -7.658 1.00 0.00 C ATOM 677 OE1 GLU A 50 6.690 10.713 -8.703 1.00 0.00 O ATOM 678 OE2 GLU A 50 8.398 10.594 -7.325 1.00 0.00 O ATOM 0 H GLU A 50 2.544 8.940 -7.089 1.00 0.00 H new ATOM 0 HA GLU A 50 4.555 8.250 -5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.626 8.904 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.709 10.557 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.684 9.597 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.725 8.346 -6.938 1.00 0.00 H new ATOM 685 N ARG A 51 3.420 11.346 -4.995 1.00 0.00 N ATOM 686 CA ARG A 51 3.362 12.500 -4.107 1.00 0.00 C ATOM 687 C ARG A 51 2.964 12.080 -2.695 1.00 0.00 C ATOM 688 O ARG A 51 3.388 12.688 -1.713 1.00 0.00 O ATOM 689 CB ARG A 51 2.368 13.533 -4.642 1.00 0.00 C ATOM 690 CG ARG A 51 1.029 12.937 -5.044 1.00 0.00 C ATOM 691 CD ARG A 51 0.030 12.986 -3.898 1.00 0.00 C ATOM 692 NE ARG A 51 -1.349 13.030 -4.376 1.00 0.00 N ATOM 693 CZ ARG A 51 -2.359 13.518 -3.663 1.00 0.00 C ATOM 694 NH1 ARG A 51 -2.143 14.001 -2.447 1.00 0.00 N ATOM 695 NH2 ARG A 51 -3.586 13.523 -4.167 1.00 0.00 N ATOM 0 H ARG A 51 2.867 11.441 -5.847 1.00 0.00 H new ATOM 0 HA ARG A 51 4.355 12.947 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.203 14.295 -3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.807 14.034 -5.505 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.630 13.481 -5.900 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.170 11.904 -5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.165 12.112 -3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.228 13.863 -3.282 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.548 12.666 -5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.200 13.998 -2.057 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.919 14.375 -1.901 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.755 13.152 -5.102 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.361 13.898 -3.619 1.00 0.00 H new ATOM 709 N ALA A 52 2.147 11.036 -2.602 1.00 0.00 N ATOM 710 CA ALA A 52 1.694 10.533 -1.311 1.00 0.00 C ATOM 711 C ALA A 52 2.813 9.793 -0.586 1.00 0.00 C ATOM 712 O ALA A 52 3.172 10.138 0.539 1.00 0.00 O ATOM 713 CB ALA A 52 0.488 9.623 -1.493 1.00 0.00 C ATOM 0 H ALA A 52 1.785 10.522 -3.405 1.00 0.00 H new ATOM 0 HA ALA A 52 1.403 11.386 -0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.160 9.255 -0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.322 10.182 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.761 8.780 -2.127 1.00 0.00 H new ATOM 719 N GLY A 53 3.359 8.771 -1.238 1.00 0.00 N ATOM 720 CA GLY A 53 4.431 7.997 -0.640 1.00 0.00 C ATOM 721 C GLY A 53 4.328 6.519 -0.960 1.00 0.00 C ATOM 722 O GLY A 53 4.552 5.672 -0.094 1.00 0.00 O ATOM 0 H GLY A 53 3.078 8.465 -2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.390 8.376 -0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.414 8.133 0.441 1.00 0.00 H new ATOM 726 N LEU A 54 3.987 6.208 -2.205 1.00 0.00 N ATOM 727 CA LEU A 54 3.852 4.821 -2.637 1.00 0.00 C ATOM 728 C LEU A 54 5.192 4.265 -3.108 1.00 0.00 C ATOM 729 O LEU A 54 5.907 4.910 -3.875 1.00 0.00 O ATOM 730 CB LEU A 54 2.820 4.714 -3.761 1.00 0.00 C ATOM 731 CG LEU A 54 2.028 3.407 -3.823 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.767 3.586 -4.654 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.889 2.288 -4.390 1.00 0.00 C ATOM 0 H LEU A 54 3.799 6.897 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 54 3.514 4.232 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.114 5.539 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.334 4.850 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 54 1.734 3.134 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.216 2.646 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.142 4.357 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.038 3.883 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.309 1.366 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.214 2.553 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.762 2.143 -3.754 1.00 0.00 H new ATOM 745 N GLN A 55 5.524 3.064 -2.646 1.00 0.00 N ATOM 746 CA GLN A 55 6.778 2.421 -3.022 1.00 0.00 C ATOM 747 C GLN A 55 6.521 1.060 -3.660 1.00 0.00 C ATOM 748 O GLN A 55 5.461 0.465 -3.471 1.00 0.00 O ATOM 749 CB GLN A 55 7.681 2.261 -1.797 1.00 0.00 C ATOM 750 CG GLN A 55 8.610 3.442 -1.569 1.00 0.00 C ATOM 751 CD GLN A 55 9.886 3.050 -0.850 1.00 0.00 C ATOM 752 OE1 GLN A 55 10.872 2.664 -1.479 1.00 0.00 O ATOM 753 NE2 GLN A 55 9.875 3.147 0.474 1.00 0.00 N ATOM 0 H GLN A 55 4.943 2.517 -2.011 1.00 0.00 H new ATOM 0 HA GLN A 55 7.278 3.056 -3.753 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.059 2.123 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.278 1.356 -1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.862 3.892 -2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.089 4.203 -0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.036 3.472 0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.706 2.897 1.011 1.00 0.00 H new ATOM 762 N GLN A 56 7.500 0.573 -4.417 1.00 0.00 N ATOM 763 CA GLN A 56 7.378 -0.718 -5.084 1.00 0.00 C ATOM 764 C GLN A 56 7.670 -1.860 -4.116 1.00 0.00 C ATOM 765 O GLN A 56 8.412 -1.693 -3.148 1.00 0.00 O ATOM 766 CB GLN A 56 8.331 -0.790 -6.278 1.00 0.00 C ATOM 767 CG GLN A 56 7.970 -1.875 -7.280 1.00 0.00 C ATOM 768 CD GLN A 56 9.165 -2.349 -8.083 1.00 0.00 C ATOM 769 OE1 GLN A 56 10.294 -2.354 -7.593 1.00 0.00 O ATOM 770 NE2 GLN A 56 8.922 -2.753 -9.325 1.00 0.00 N ATOM 0 H GLN A 56 8.385 1.052 -4.583 1.00 0.00 H new ATOM 0 HA GLN A 56 6.353 -0.820 -5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.337 0.174 -6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.343 -0.965 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.534 -2.722 -6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.207 -1.497 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.970 -2.732 -9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.687 -3.084 -9.912 1.00 0.00 H new ATOM 779 N LEU A 57 7.081 -3.021 -4.384 1.00 0.00 N ATOM 780 CA LEU A 57 7.277 -4.192 -3.537 1.00 0.00 C ATOM 781 C LEU A 57 6.632 -3.989 -2.170 1.00 0.00 C ATOM 782 O LEU A 57 7.055 -4.583 -1.178 1.00 0.00 O ATOM 783 CB LEU A 57 8.770 -4.481 -3.371 1.00 0.00 C ATOM 784 CG LEU A 57 9.593 -4.525 -4.659 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.045 -4.174 -4.376 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.490 -5.896 -5.311 1.00 0.00 C ATOM 0 H LEU A 57 6.464 -3.176 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 57 6.799 -5.044 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.196 -3.720 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.880 -5.438 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 57 9.190 -3.785 -5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.616 -4.210 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.101 -3.170 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.461 -4.889 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.082 -5.909 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.866 -6.655 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.448 -6.108 -5.550 1.00 0.00 H new ATOM 798 N ASP A 58 5.604 -3.148 -2.125 1.00 0.00 N ATOM 799 CA ASP A 58 4.898 -2.869 -0.880 1.00 0.00 C ATOM 800 C ASP A 58 3.727 -3.829 -0.693 1.00 0.00 C ATOM 801 O ASP A 58 2.827 -3.900 -1.531 1.00 0.00 O ATOM 802 CB ASP A 58 4.396 -1.425 -0.867 1.00 0.00 C ATOM 803 CG ASP A 58 5.484 -0.437 -0.493 1.00 0.00 C ATOM 804 OD1 ASP A 58 6.456 -0.849 0.174 1.00 0.00 O ATOM 805 OD2 ASP A 58 5.363 0.748 -0.870 1.00 0.00 O ATOM 0 H ASP A 58 5.241 -2.648 -2.937 1.00 0.00 H new ATOM 0 HA ASP A 58 5.596 -3.011 -0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.002 -1.172 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.571 -1.337 -0.161 1.00 0.00 H new ATOM 810 N THR A 59 3.746 -4.569 0.411 1.00 0.00 N ATOM 811 CA THR A 59 2.689 -5.527 0.708 1.00 0.00 C ATOM 812 C THR A 59 1.449 -4.827 1.253 1.00 0.00 C ATOM 813 O THR A 59 1.536 -4.023 2.181 1.00 0.00 O ATOM 814 CB THR A 59 3.157 -6.584 1.726 1.00 0.00 C ATOM 815 OG1 THR A 59 4.262 -7.322 1.194 1.00 0.00 O ATOM 816 CG2 THR A 59 2.024 -7.538 2.075 1.00 0.00 C ATOM 0 H THR A 59 4.483 -4.523 1.115 1.00 0.00 H new ATOM 0 HA THR A 59 2.440 -6.023 -0.230 1.00 0.00 H new ATOM 0 HB THR A 59 3.469 -6.068 2.634 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.554 -7.991 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.378 -8.275 2.795 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.196 -6.977 2.508 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.685 -8.046 1.172 1.00 0.00 H new ATOM 824 N VAL A 60 0.295 -5.137 0.670 1.00 0.00 N ATOM 825 CA VAL A 60 -0.963 -4.539 1.099 1.00 0.00 C ATOM 826 C VAL A 60 -1.591 -5.336 2.236 1.00 0.00 C ATOM 827 O VAL A 60 -2.197 -6.385 2.013 1.00 0.00 O ATOM 828 CB VAL A 60 -1.967 -4.447 -0.066 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.287 -3.864 0.412 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.389 -3.619 -1.203 1.00 0.00 C ATOM 0 H VAL A 60 0.206 -5.799 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.732 -3.533 1.450 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.156 -5.453 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.984 -3.807 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.706 -4.502 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.119 -2.865 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.112 -3.565 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.169 -2.613 -0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.472 -4.085 -1.563 1.00 0.00 H new ATOM 840 N LEU A 61 -1.445 -4.831 3.456 1.00 0.00 N ATOM 841 CA LEU A 61 -1.999 -5.496 4.631 1.00 0.00 C ATOM 842 C LEU A 61 -3.517 -5.357 4.670 1.00 0.00 C ATOM 843 O LEU A 61 -4.240 -6.351 4.725 1.00 0.00 O ATOM 844 CB LEU A 61 -1.389 -4.913 5.907 1.00 0.00 C ATOM 845 CG LEU A 61 0.110 -5.148 6.102 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.570 -4.574 7.433 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.432 -6.633 6.019 1.00 0.00 C ATOM 0 H LEU A 61 -0.948 -3.963 3.658 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.751 -6.556 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.572 -3.839 5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.917 -5.333 6.763 1.00 0.00 H new ATOM 0 HG LEU A 61 0.647 -4.636 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.639 -4.750 7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.374 -3.502 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.027 -5.058 8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.503 -6.782 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.114 -7.168 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.138 -7.015 5.041 1.00 0.00 H new ATOM 859 N GLN A 62 -3.993 -4.116 4.638 1.00 0.00 N ATOM 860 CA GLN A 62 -5.426 -3.847 4.669 1.00 0.00 C ATOM 861 C GLN A 62 -5.757 -2.574 3.897 1.00 0.00 C ATOM 862 O GLN A 62 -5.137 -1.530 4.105 1.00 0.00 O ATOM 863 CB GLN A 62 -5.913 -3.724 6.114 1.00 0.00 C ATOM 864 CG GLN A 62 -5.576 -2.388 6.757 1.00 0.00 C ATOM 865 CD GLN A 62 -5.755 -2.404 8.262 1.00 0.00 C ATOM 866 OE1 GLN A 62 -4.797 -2.223 9.015 1.00 0.00 O ATOM 867 NE2 GLN A 62 -6.986 -2.620 8.710 1.00 0.00 N ATOM 0 H GLN A 62 -3.408 -3.282 4.591 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.938 -4.683 4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.993 -3.867 6.138 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.472 -4.525 6.707 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.545 -2.125 6.520 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.210 -1.612 6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.751 -2.765 8.051 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.167 -2.641 9.714 1.00 0.00 H new ATOM 876 N LEU A 63 -6.738 -2.666 3.006 1.00 0.00 N ATOM 877 CA LEU A 63 -7.153 -1.522 2.203 1.00 0.00 C ATOM 878 C LEU A 63 -8.584 -1.113 2.535 1.00 0.00 C ATOM 879 O LEU A 63 -9.475 -1.956 2.626 1.00 0.00 O ATOM 880 CB LEU A 63 -7.036 -1.850 0.713 1.00 0.00 C ATOM 881 CG LEU A 63 -7.843 -0.962 -0.235 1.00 0.00 C ATOM 882 CD1 LEU A 63 -7.130 -0.822 -1.571 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.243 -1.525 -0.431 1.00 0.00 C ATOM 0 H LEU A 63 -7.261 -3.522 2.822 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.493 -0.687 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.985 -1.789 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.347 -2.884 0.563 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.931 0.028 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.719 -0.187 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.149 -0.373 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.010 -1.806 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.803 -0.880 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.176 -2.527 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.754 -1.572 0.531 1.00 0.00 H new ATOM 895 N ASN A 64 -8.797 0.187 2.712 1.00 0.00 N ATOM 896 CA ASN A 64 -10.121 0.708 3.032 1.00 0.00 C ATOM 897 C ASN A 64 -10.605 0.175 4.377 1.00 0.00 C ATOM 898 O ASN A 64 -11.705 -0.367 4.481 1.00 0.00 O ATOM 899 CB ASN A 64 -11.118 0.334 1.934 1.00 0.00 C ATOM 900 CG ASN A 64 -11.229 1.404 0.864 1.00 0.00 C ATOM 901 OD1 ASN A 64 -12.319 1.901 0.579 1.00 0.00 O ATOM 902 ND2 ASN A 64 -10.099 1.764 0.268 1.00 0.00 N ATOM 0 H ASN A 64 -8.070 0.899 2.639 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.051 1.794 3.096 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.812 -0.606 1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.099 0.166 2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.111 2.480 -0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.218 1.325 0.537 1.00 0.00 H new ATOM 909 N GLU A 65 -9.776 0.334 5.404 1.00 0.00 N ATOM 910 CA GLU A 65 -10.120 -0.132 6.742 1.00 0.00 C ATOM 911 C GLU A 65 -10.695 -1.544 6.695 1.00 0.00 C ATOM 912 O GLU A 65 -11.472 -1.939 7.565 1.00 0.00 O ATOM 913 CB GLU A 65 -11.126 0.819 7.394 1.00 0.00 C ATOM 914 CG GLU A 65 -12.407 0.990 6.595 1.00 0.00 C ATOM 915 CD GLU A 65 -13.426 1.859 7.307 1.00 0.00 C ATOM 916 OE1 GLU A 65 -13.806 1.517 8.446 1.00 0.00 O ATOM 917 OE2 GLU A 65 -13.844 2.881 6.723 1.00 0.00 O ATOM 0 H GLU A 65 -8.862 0.782 5.335 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.208 -0.150 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.374 0.446 8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.658 1.794 7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.171 1.432 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.843 0.010 6.400 1.00 0.00 H new ATOM 924 N ARG A 66 -10.308 -2.301 5.673 1.00 0.00 N ATOM 925 CA ARG A 66 -10.785 -3.669 5.511 1.00 0.00 C ATOM 926 C ARG A 66 -9.629 -4.615 5.201 1.00 0.00 C ATOM 927 O ARG A 66 -8.683 -4.268 4.495 1.00 0.00 O ATOM 928 CB ARG A 66 -11.829 -3.738 4.395 1.00 0.00 C ATOM 929 CG ARG A 66 -13.169 -3.131 4.776 1.00 0.00 C ATOM 930 CD ARG A 66 -13.925 -2.638 3.552 1.00 0.00 C ATOM 931 NE ARG A 66 -15.269 -2.177 3.887 1.00 0.00 N ATOM 932 CZ ARG A 66 -15.528 -0.983 4.409 1.00 0.00 C ATOM 933 NH1 ARG A 66 -14.539 -0.134 4.652 1.00 0.00 N ATOM 934 NH2 ARG A 66 -16.778 -0.635 4.687 1.00 0.00 N ATOM 0 H ARG A 66 -9.665 -1.990 4.945 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.244 -3.981 6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.443 -3.222 3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.979 -4.780 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.770 -3.873 5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.011 -2.302 5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.369 -1.825 3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.990 -3.441 2.818 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.052 -2.806 3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.577 -0.397 4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.740 0.782 5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.542 -1.285 4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.975 0.282 5.088 1.00 0.00 H new ATOM 948 N PRO A 67 -9.706 -5.841 5.742 1.00 0.00 N ATOM 949 CA PRO A 67 -8.675 -6.862 5.537 1.00 0.00 C ATOM 950 C PRO A 67 -8.656 -7.388 4.106 1.00 0.00 C ATOM 951 O PRO A 67 -9.679 -7.833 3.583 1.00 0.00 O ATOM 952 CB PRO A 67 -9.078 -7.973 6.509 1.00 0.00 C ATOM 953 CG PRO A 67 -10.546 -7.801 6.694 1.00 0.00 C ATOM 954 CD PRO A 67 -10.806 -6.323 6.594 1.00 0.00 C ATOM 0 HA PRO A 67 -7.673 -6.469 5.709 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.843 -8.957 6.104 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.546 -7.882 7.456 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.102 -8.347 5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.865 -8.189 7.661 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.779 -6.115 6.150 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.794 -5.846 7.574 1.00 0.00 H new ATOM 962 N VAL A 68 -7.487 -7.335 3.476 1.00 0.00 N ATOM 963 CA VAL A 68 -7.335 -7.807 2.105 1.00 0.00 C ATOM 964 C VAL A 68 -6.096 -8.684 1.960 1.00 0.00 C ATOM 965 O VAL A 68 -5.532 -8.802 0.873 1.00 0.00 O ATOM 966 CB VAL A 68 -7.237 -6.632 1.114 1.00 0.00 C ATOM 967 CG1 VAL A 68 -8.395 -5.667 1.314 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.903 -5.917 1.266 1.00 0.00 C ATOM 0 H VAL A 68 -6.631 -6.970 3.893 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.223 -8.395 1.873 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.297 -7.028 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.309 -4.843 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.337 -6.190 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.370 -5.275 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.851 -5.090 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.810 -5.532 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.091 -6.616 1.067 1.00 0.00 H new ATOM 978 N GLU A 69 -5.680 -9.298 3.063 1.00 0.00 N ATOM 979 CA GLU A 69 -4.508 -10.165 3.058 1.00 0.00 C ATOM 980 C GLU A 69 -4.739 -11.388 2.176 1.00 0.00 C ATOM 981 O GLU A 69 -3.797 -11.954 1.620 1.00 0.00 O ATOM 982 CB GLU A 69 -4.167 -10.607 4.483 1.00 0.00 C ATOM 983 CG GLU A 69 -3.349 -9.588 5.258 1.00 0.00 C ATOM 984 CD GLU A 69 -3.283 -9.899 6.741 1.00 0.00 C ATOM 985 OE1 GLU A 69 -2.924 -11.042 7.092 1.00 0.00 O ATOM 986 OE2 GLU A 69 -3.590 -8.998 7.549 1.00 0.00 O ATOM 0 H GLU A 69 -6.137 -9.211 3.971 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.671 -9.598 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.092 -10.805 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.616 -11.546 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.338 -9.555 4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.782 -8.597 5.117 1.00 0.00 H new ATOM 993 N HIS A 70 -5.999 -11.791 2.051 1.00 0.00 N ATOM 994 CA HIS A 70 -6.356 -12.947 1.236 1.00 0.00 C ATOM 995 C HIS A 70 -7.019 -12.510 -0.066 1.00 0.00 C ATOM 996 O HIS A 70 -7.717 -13.292 -0.711 1.00 0.00 O ATOM 997 CB HIS A 70 -7.290 -13.876 2.012 1.00 0.00 C ATOM 998 CG HIS A 70 -7.271 -15.291 1.521 1.00 0.00 C ATOM 999 ND1 HIS A 70 -7.593 -16.368 2.319 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -6.969 -15.802 0.305 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -7.487 -17.481 1.615 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -7.110 -17.165 0.389 1.00 0.00 N ATOM 0 H HIS A 70 -6.791 -11.334 2.504 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.440 -13.486 0.993 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.010 -13.862 3.065 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.308 -13.491 1.947 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.672 -15.242 -0.569 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.676 -18.480 1.980 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.950 -17.826 -0.371 1.00 0.00 H new ATOM 1011 N TRP A 71 -6.798 -11.257 -0.445 1.00 0.00 N ATOM 1012 CA TRP A 71 -7.375 -10.716 -1.671 1.00 0.00 C ATOM 1013 C TRP A 71 -6.371 -10.771 -2.817 1.00 0.00 C ATOM 1014 O TRP A 71 -5.211 -10.391 -2.658 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.835 -9.274 -1.449 1.00 0.00 C ATOM 1016 CG TRP A 71 -9.098 -9.170 -0.649 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -9.539 -10.043 0.305 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -10.084 -8.135 -0.734 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -10.739 -9.613 0.817 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -11.095 -8.445 0.197 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -10.211 -6.977 -1.505 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -12.216 -7.637 0.374 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -11.324 -6.177 -1.328 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -12.314 -6.509 -0.394 1.00 0.00 C ATOM 0 H TRP A 71 -6.224 -10.596 0.078 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.236 -11.328 -1.938 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -7.045 -8.722 -0.940 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.986 -8.795 -2.417 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.020 -10.939 0.612 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.278 -10.087 1.542 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.453 -6.712 -2.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.981 -7.892 1.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.432 -5.280 -1.920 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.171 -5.862 -0.278 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.824 -11.247 -3.972 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.966 -11.351 -5.146 1.00 0.00 C ATOM 1037 C LYS A 72 -6.104 -10.117 -6.032 1.00 0.00 C ATOM 1038 O LYS A 72 -7.061 -9.353 -5.903 1.00 0.00 O ATOM 1039 CB LYS A 72 -6.313 -12.609 -5.946 1.00 0.00 C ATOM 1040 CG LYS A 72 -6.224 -13.890 -5.135 1.00 0.00 C ATOM 1041 CD LYS A 72 -6.349 -15.119 -6.019 1.00 0.00 C ATOM 1042 CE LYS A 72 -5.660 -16.325 -5.399 1.00 0.00 C ATOM 1043 NZ LYS A 72 -5.973 -17.582 -6.133 1.00 0.00 N ATOM 0 H LYS A 72 -7.781 -11.567 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.933 -11.418 -4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.323 -12.510 -6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.641 -12.683 -6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.274 -13.919 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.012 -13.901 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.403 -15.345 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.912 -14.912 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.582 -16.165 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.970 -16.425 -4.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.484 -18.380 -5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.999 -17.749 -6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.654 -17.497 -7.119 1.00 0.00 H new ATOM 1057 N CYS A 73 -5.145 -9.930 -6.931 1.00 0.00 N ATOM 1058 CA CYS A 73 -5.160 -8.789 -7.840 1.00 0.00 C ATOM 1059 C CYS A 73 -6.579 -8.492 -8.316 1.00 0.00 C ATOM 1060 O CYS A 73 -7.019 -7.342 -8.311 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.251 -9.054 -9.041 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.779 -10.442 -10.073 1.00 0.00 S ATOM 0 H CYS A 73 -4.347 -10.554 -7.050 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.788 -7.919 -7.298 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.207 -8.155 -9.655 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.240 -9.246 -8.683 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.950 -10.586 -11.064 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.290 -9.537 -8.728 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.658 -9.388 -9.208 1.00 0.00 C ATOM 1070 C VAL A 74 -9.604 -9.022 -8.069 1.00 0.00 C ATOM 1071 O VAL A 74 -10.587 -8.310 -8.270 1.00 0.00 O ATOM 1072 CB VAL A 74 -9.160 -10.679 -9.882 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -8.379 -10.954 -11.157 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -9.060 -11.855 -8.921 1.00 0.00 C ATOM 0 H VAL A 74 -6.941 -10.495 -8.739 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.649 -8.583 -9.942 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.208 -10.545 -10.149 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.748 -11.870 -11.619 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.507 -10.121 -11.849 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.322 -11.068 -10.918 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.419 -12.759 -9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.021 -11.993 -8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.669 -11.657 -8.039 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.298 -9.514 -6.873 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.121 -9.238 -5.701 1.00 0.00 C ATOM 1086 C GLU A 75 -9.975 -7.784 -5.264 1.00 0.00 C ATOM 1087 O GLU A 75 -10.966 -7.101 -4.997 1.00 0.00 O ATOM 1088 CB GLU A 75 -9.737 -10.170 -4.549 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.838 -10.348 -3.517 1.00 0.00 C ATOM 1090 CD GLU A 75 -10.551 -11.478 -2.548 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -9.939 -12.481 -2.969 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -10.940 -11.358 -1.367 1.00 0.00 O ATOM 0 H GLU A 75 -8.487 -10.105 -6.690 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.162 -9.415 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.471 -11.146 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.848 -9.777 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.962 -9.419 -2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.781 -10.543 -4.027 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.734 -7.316 -5.191 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.457 -5.942 -4.786 1.00 0.00 C ATOM 1101 C LEU A 76 -8.802 -4.964 -5.904 1.00 0.00 C ATOM 1102 O LEU A 76 -9.739 -4.175 -5.785 1.00 0.00 O ATOM 1103 CB LEU A 76 -6.985 -5.791 -4.397 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.638 -4.572 -3.542 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.765 -4.265 -2.568 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -5.332 -4.800 -2.794 1.00 0.00 C ATOM 0 H LEU A 76 -7.904 -7.867 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.081 -5.712 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.679 -6.687 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.391 -5.750 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.511 -3.714 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.500 -3.394 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.680 -4.058 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.924 -5.122 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.100 -3.922 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.431 -5.670 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.528 -4.971 -3.510 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.040 -5.023 -6.991 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.268 -4.146 -8.132 1.00 0.00 C ATOM 1120 C ALA A 77 -9.752 -3.835 -8.299 1.00 0.00 C ATOM 1121 O ALA A 77 -10.126 -2.722 -8.668 1.00 0.00 O ATOM 1122 CB ALA A 77 -7.713 -4.776 -9.401 1.00 0.00 C ATOM 0 H ALA A 77 -7.259 -5.669 -7.105 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.746 -3.207 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.890 -4.110 -10.245 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.641 -4.940 -9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.209 -5.730 -9.581 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.593 -4.827 -8.024 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.037 -4.659 -8.144 1.00 0.00 C ATOM 1130 C HIS A 78 -12.524 -3.506 -7.272 1.00 0.00 C ATOM 1131 O HIS A 78 -13.165 -2.575 -7.760 1.00 0.00 O ATOM 1132 CB HIS A 78 -12.756 -5.950 -7.750 1.00 0.00 C ATOM 1133 CG HIS A 78 -14.141 -6.059 -8.310 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -14.571 -7.138 -9.052 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -15.197 -5.215 -8.229 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -15.830 -6.953 -9.407 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -16.234 -5.794 -8.919 1.00 0.00 N ATOM 0 H HIS A 78 -10.300 -5.754 -7.717 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.266 -4.427 -9.184 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.167 -6.802 -8.090 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.807 -6.011 -6.663 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -15.220 -4.264 -7.717 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -16.427 -7.633 -9.996 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.165 -5.394 -9.036 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.216 -3.575 -5.981 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.625 -2.537 -5.042 1.00 0.00 C ATOM 1148 C GLU A 79 -11.934 -1.214 -5.360 1.00 0.00 C ATOM 1149 O GLU A 79 -12.532 -0.144 -5.239 1.00 0.00 O ATOM 1150 CB GLU A 79 -12.304 -2.960 -3.607 1.00 0.00 C ATOM 1151 CG GLU A 79 -10.871 -2.671 -3.193 1.00 0.00 C ATOM 1152 CD GLU A 79 -10.615 -1.193 -2.972 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -11.569 -0.474 -2.606 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -9.462 -0.754 -3.165 1.00 0.00 O ATOM 0 H GLU A 79 -11.685 -4.338 -5.562 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.702 -2.398 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.981 -2.445 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.496 -4.028 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.644 -3.216 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.193 -3.043 -3.961 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.672 -1.295 -5.766 1.00 0.00 N ATOM 1162 CA ILE A 80 -9.900 -0.105 -6.102 1.00 0.00 C ATOM 1163 C ILE A 80 -10.615 0.736 -7.153 1.00 0.00 C ATOM 1164 O ILE A 80 -10.967 1.890 -6.906 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.497 -0.472 -6.622 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.742 -1.297 -5.578 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -7.718 0.786 -6.975 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.341 -1.675 -6.005 1.00 0.00 C ATOM 0 H ILE A 80 -10.162 -2.172 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.799 0.474 -5.184 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.606 -1.074 -7.524 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.689 -0.731 -4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.306 -2.205 -5.367 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.729 0.511 -7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.250 1.338 -7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.616 1.411 -6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.865 -2.258 -5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.387 -2.268 -6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.760 -0.771 -6.188 1.00 0.00 H new ATOM 1180 N ARG A 81 -10.829 0.150 -8.327 1.00 0.00 N ATOM 1181 CA ARG A 81 -11.504 0.845 -9.417 1.00 0.00 C ATOM 1182 C ARG A 81 -12.958 1.138 -9.057 1.00 0.00 C ATOM 1183 O ARG A 81 -13.598 1.993 -9.667 1.00 0.00 O ATOM 1184 CB ARG A 81 -11.442 0.012 -10.698 1.00 0.00 C ATOM 1185 CG ARG A 81 -10.197 0.268 -11.531 1.00 0.00 C ATOM 1186 CD ARG A 81 -9.995 -0.815 -12.579 1.00 0.00 C ATOM 1187 NE ARG A 81 -10.660 -0.489 -13.838 1.00 0.00 N ATOM 1188 CZ ARG A 81 -10.516 -1.200 -14.951 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -9.735 -2.271 -14.961 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -11.154 -0.840 -16.057 1.00 0.00 N ATOM 0 H ARG A 81 -10.545 -0.804 -8.548 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.991 1.792 -9.583 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.483 -1.045 -10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.324 0.225 -11.303 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -10.279 1.239 -12.020 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.325 0.312 -10.879 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.929 -0.952 -12.757 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.380 -1.762 -12.200 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.268 0.329 -13.864 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.243 -2.551 -14.113 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.626 -2.815 -15.817 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.756 -0.017 -16.053 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.043 -1.387 -16.911 1.00 0.00 H new ATOM 1204 N SER A 82 -13.472 0.420 -8.063 1.00 0.00 N ATOM 1205 CA SER A 82 -14.851 0.600 -7.625 1.00 0.00 C ATOM 1206 C SER A 82 -15.107 2.046 -7.214 1.00 0.00 C ATOM 1207 O SER A 82 -16.156 2.614 -7.520 1.00 0.00 O ATOM 1208 CB SER A 82 -15.163 -0.337 -6.457 1.00 0.00 C ATOM 1209 OG SER A 82 -16.561 -0.436 -6.242 1.00 0.00 O ATOM 0 H SER A 82 -12.954 -0.291 -7.546 1.00 0.00 H new ATOM 0 HA SER A 82 -15.506 0.358 -8.462 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.752 -1.326 -6.660 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.678 0.030 -5.553 1.00 0.00 H new ATOM 0 HG SER A 82 -16.734 -1.042 -5.491 1.00 0.00 H new ATOM 1215 N CYS A 83 -14.141 2.637 -6.519 1.00 0.00 N ATOM 1216 CA CYS A 83 -14.261 4.018 -6.064 1.00 0.00 C ATOM 1217 C CYS A 83 -13.190 4.895 -6.704 1.00 0.00 C ATOM 1218 O CYS A 83 -12.034 4.914 -6.281 1.00 0.00 O ATOM 1219 CB CYS A 83 -14.151 4.086 -4.540 1.00 0.00 C ATOM 1220 SG CYS A 83 -15.728 3.898 -3.677 1.00 0.00 S ATOM 0 H CYS A 83 -13.266 2.182 -6.258 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.239 4.392 -6.367 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.468 3.307 -4.201 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.708 5.042 -4.261 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.531 3.967 -2.394 1.00 0.00 H new ATOM 1226 N PRO A 84 -13.581 5.640 -7.749 1.00 0.00 N ATOM 1227 CA PRO A 84 -12.669 6.533 -8.470 1.00 0.00 C ATOM 1228 C PRO A 84 -12.261 7.742 -7.635 1.00 0.00 C ATOM 1229 O PRO A 84 -11.135 8.228 -7.737 1.00 0.00 O ATOM 1230 CB PRO A 84 -13.490 6.973 -9.684 1.00 0.00 C ATOM 1231 CG PRO A 84 -14.909 6.836 -9.252 1.00 0.00 C ATOM 1232 CD PRO A 84 -14.943 5.667 -8.307 1.00 0.00 C ATOM 0 HA PRO A 84 -11.733 6.038 -8.728 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.260 8.000 -9.966 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.279 6.349 -10.552 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.257 7.745 -8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.563 6.665 -10.107 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.694 5.801 -7.528 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.184 4.739 -8.825 1.00 0.00 H new ATOM 1240 N SER A 85 -13.185 8.224 -6.810 1.00 0.00 N ATOM 1241 CA SER A 85 -12.923 9.379 -5.959 1.00 0.00 C ATOM 1242 C SER A 85 -11.563 9.255 -5.278 1.00 0.00 C ATOM 1243 O SER A 85 -10.603 9.922 -5.661 1.00 0.00 O ATOM 1244 CB SER A 85 -14.022 9.524 -4.906 1.00 0.00 C ATOM 1245 OG SER A 85 -15.108 10.287 -5.403 1.00 0.00 O ATOM 0 H SER A 85 -14.122 7.833 -6.713 1.00 0.00 H new ATOM 0 HA SER A 85 -12.915 10.268 -6.589 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.374 8.537 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.615 10.002 -4.015 1.00 0.00 H new ATOM 0 HG SER A 85 -15.798 10.363 -4.711 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.492 8.395 -4.267 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.250 8.184 -3.531 1.00 0.00 C ATOM 1253 C GLU A 86 -10.157 6.748 -3.023 1.00 0.00 C ATOM 1254 O GLU A 86 -11.173 6.090 -2.801 1.00 0.00 O ATOM 1255 CB GLU A 86 -10.156 9.159 -2.356 1.00 0.00 C ATOM 1256 CG GLU A 86 -8.731 9.426 -1.899 1.00 0.00 C ATOM 1257 CD GLU A 86 -8.671 10.198 -0.596 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -9.141 9.666 0.432 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -8.152 11.334 -0.603 1.00 0.00 O ATOM 0 H GLU A 86 -12.278 7.834 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.418 8.365 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.620 10.103 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.729 8.762 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.208 8.477 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.204 9.985 -2.673 1.00 0.00 H new ATOM 1266 N ILE A 87 -8.930 6.270 -2.842 1.00 0.00 N ATOM 1267 CA ILE A 87 -8.704 4.913 -2.361 1.00 0.00 C ATOM 1268 C ILE A 87 -7.692 4.896 -1.220 1.00 0.00 C ATOM 1269 O ILE A 87 -6.607 5.468 -1.331 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.204 3.991 -3.489 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.012 4.627 -4.207 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.328 3.700 -4.472 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.027 3.618 -4.754 1.00 0.00 C ATOM 0 H ILE A 87 -8.078 6.802 -3.021 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.663 4.543 -1.999 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.878 3.048 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.379 5.245 -5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.493 5.291 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.959 3.047 -5.263 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.150 3.209 -3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.681 4.635 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.209 4.140 -5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.631 3.016 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.531 2.970 -5.471 1.00 0.00 H new ATOM 1285 N ILE A 88 -8.053 4.236 -0.125 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.175 4.142 1.034 1.00 0.00 C ATOM 1287 C ILE A 88 -6.537 2.760 1.131 1.00 0.00 C ATOM 1288 O ILE A 88 -7.225 1.760 1.341 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.935 4.437 2.341 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.527 5.847 2.305 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -7.011 4.275 3.539 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -9.634 6.064 3.314 1.00 0.00 C ATOM 0 H ILE A 88 -8.948 3.758 -0.016 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.394 4.891 0.900 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.752 3.722 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.733 6.571 2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.914 6.044 1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.562 4.487 4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.633 3.253 3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.175 4.969 3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -10.006 7.085 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.447 5.365 3.118 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -9.247 5.899 4.320 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.219 2.712 0.979 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.486 1.452 1.051 1.00 0.00 C ATOM 1306 C LEU A 89 -3.355 1.537 2.070 1.00 0.00 C ATOM 1307 O LEU A 89 -2.602 2.512 2.098 1.00 0.00 O ATOM 1308 CB LEU A 89 -3.923 1.088 -0.324 1.00 0.00 C ATOM 1309 CG LEU A 89 -3.094 2.169 -1.018 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -2.030 1.540 -1.904 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.992 3.090 -1.831 1.00 0.00 C ATOM 0 H LEU A 89 -4.635 3.530 0.805 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.180 0.674 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.304 0.197 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.755 0.822 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.595 2.764 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.450 2.325 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.368 0.923 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.508 0.920 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.385 3.853 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.520 2.509 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.715 3.568 -1.171 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.240 0.511 2.905 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.198 0.468 3.926 1.00 0.00 C ATOM 1325 C LEU A 90 -1.167 -0.610 3.608 1.00 0.00 C ATOM 1326 O LEU A 90 -1.520 -1.733 3.246 1.00 0.00 O ATOM 1327 CB LEU A 90 -2.815 0.210 5.302 1.00 0.00 C ATOM 1328 CG LEU A 90 -1.829 -0.008 6.450 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.354 1.326 7.005 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.464 -0.849 7.547 1.00 0.00 C ATOM 0 H LEU A 90 -3.855 -0.303 2.896 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.694 1.434 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.455 1.055 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.458 -0.667 5.231 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.964 -0.546 6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.653 1.152 7.821 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.859 1.893 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.209 1.891 7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.747 -0.994 8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.347 -0.339 7.932 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.753 -1.818 7.141 1.00 0.00 H new ATOM 1342 N VAL A 91 0.108 -0.262 3.747 1.00 0.00 N ATOM 1343 CA VAL A 91 1.190 -1.201 3.477 1.00 0.00 C ATOM 1344 C VAL A 91 2.255 -1.140 4.567 1.00 0.00 C ATOM 1345 O VAL A 91 2.251 -0.236 5.403 1.00 0.00 O ATOM 1346 CB VAL A 91 1.850 -0.921 2.114 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.858 -1.150 0.984 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.402 0.496 2.071 1.00 0.00 C ATOM 0 H VAL A 91 0.417 0.663 4.045 1.00 0.00 H new ATOM 0 HA VAL A 91 0.748 -2.197 3.460 1.00 0.00 H new ATOM 0 HB VAL A 91 2.681 -1.614 1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.342 -0.947 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.515 -2.184 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.005 -0.483 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.865 0.677 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.590 1.207 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.147 0.620 2.857 1.00 0.00 H new ATOM 1358 N TRP A 92 3.166 -2.106 4.551 1.00 0.00 N ATOM 1359 CA TRP A 92 4.238 -2.162 5.538 1.00 0.00 C ATOM 1360 C TRP A 92 5.538 -1.610 4.962 1.00 0.00 C ATOM 1361 O TRP A 92 5.905 -1.918 3.828 1.00 0.00 O ATOM 1362 CB TRP A 92 4.448 -3.600 6.013 1.00 0.00 C ATOM 1363 CG TRP A 92 5.688 -3.780 6.835 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.935 -4.099 6.379 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.800 -3.652 8.257 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.815 -4.178 7.431 1.00 0.00 N ATOM 1367 CE2 TRP A 92 7.143 -3.907 8.594 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.896 -3.346 9.278 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 7.602 -3.865 9.908 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 5.352 -3.305 10.581 1.00 0.00 C ATOM 1371 CH2 TRP A 92 6.695 -3.563 10.887 1.00 0.00 C ATOM 0 H TRP A 92 3.184 -2.861 3.866 1.00 0.00 H new ATOM 0 HA TRP A 92 3.947 -1.545 6.388 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.584 -3.911 6.600 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.497 -4.258 5.145 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.192 -4.265 5.343 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.807 -4.402 7.358 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.859 -3.145 9.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 8.637 -4.064 10.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 4.662 -3.070 11.378 1.00 0.00 H new ATOM 0 HH2 TRP A 92 7.021 -3.523 11.916 1.00 0.00 H new ATOM 1382 N ARG A 93 6.229 -0.793 5.750 1.00 0.00 N ATOM 1383 CA ARG A 93 7.487 -0.197 5.316 1.00 0.00 C ATOM 1384 C ARG A 93 8.556 -0.338 6.396 1.00 0.00 C ATOM 1385 O ARG A 93 8.254 -0.318 7.590 1.00 0.00 O ATOM 1386 CB ARG A 93 7.285 1.280 4.973 1.00 0.00 C ATOM 1387 CG ARG A 93 8.330 1.831 4.016 1.00 0.00 C ATOM 1388 CD ARG A 93 7.817 3.058 3.279 1.00 0.00 C ATOM 1389 NE ARG A 93 6.802 2.717 2.286 1.00 0.00 N ATOM 1390 CZ ARG A 93 6.236 3.606 1.478 1.00 0.00 C ATOM 1391 NH1 ARG A 93 6.584 4.883 1.544 1.00 0.00 N ATOM 1392 NH2 ARG A 93 5.320 3.218 0.600 1.00 0.00 N ATOM 0 H ARG A 93 5.939 -0.529 6.692 1.00 0.00 H new ATOM 0 HA ARG A 93 7.823 -0.727 4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.296 1.410 4.533 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.303 1.864 5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.233 2.089 4.570 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.607 1.062 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.399 3.763 3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.650 3.560 2.788 1.00 0.00 H new ATOM 0 HE ARG A 93 6.512 1.742 2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.288 5.186 2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.147 5.563 0.922 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.050 2.236 0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.886 3.902 -0.020 1.00 0.00 H new ATOM 1406 N VAL A 94 9.807 -0.481 5.969 1.00 0.00 N ATOM 1407 CA VAL A 94 10.920 -0.625 6.899 1.00 0.00 C ATOM 1408 C VAL A 94 11.941 0.492 6.711 1.00 0.00 C ATOM 1409 O VAL A 94 12.594 0.581 5.672 1.00 0.00 O ATOM 1410 CB VAL A 94 11.625 -1.984 6.726 1.00 0.00 C ATOM 1411 CG1 VAL A 94 12.836 -2.078 7.641 1.00 0.00 C ATOM 1412 CG2 VAL A 94 10.654 -3.124 6.992 1.00 0.00 C ATOM 0 H VAL A 94 10.075 -0.500 4.985 1.00 0.00 H new ATOM 0 HA VAL A 94 10.502 -0.567 7.904 1.00 0.00 H new ATOM 0 HB VAL A 94 11.972 -2.066 5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.321 -3.045 7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.539 -1.282 7.397 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.517 -1.975 8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.168 -4.077 6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.275 -3.049 8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.822 -3.065 6.290 1.00 0.00 H new ATOM 1422 N SER A 95 12.073 1.342 7.725 1.00 0.00 N ATOM 1423 CA SER A 95 13.012 2.456 7.670 1.00 0.00 C ATOM 1424 C SER A 95 14.311 2.107 8.390 1.00 0.00 C ATOM 1425 O SER A 95 14.305 1.746 9.566 1.00 0.00 O ATOM 1426 CB SER A 95 12.390 3.706 8.295 1.00 0.00 C ATOM 1427 OG SER A 95 13.161 4.859 8.005 1.00 0.00 O ATOM 0 H SER A 95 11.542 1.280 8.594 1.00 0.00 H new ATOM 0 HA SER A 95 13.239 2.656 6.623 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.376 3.839 7.918 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.314 3.577 9.375 1.00 0.00 H new ATOM 0 HG SER A 95 12.741 5.644 8.414 1.00 0.00 H new ATOM 1433 N GLY A 96 15.426 2.218 7.673 1.00 0.00 N ATOM 1434 CA GLY A 96 16.718 1.911 8.258 1.00 0.00 C ATOM 1435 C GLY A 96 17.353 0.678 7.646 1.00 0.00 C ATOM 1436 O GLY A 96 16.999 0.252 6.546 1.00 0.00 O ATOM 0 H GLY A 96 15.457 2.515 6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.385 2.763 8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.601 1.761 9.331 1.00 0.00 H new ATOM 1440 N PRO A 97 18.317 0.085 8.365 1.00 0.00 N ATOM 1441 CA PRO A 97 19.024 -1.114 7.905 1.00 0.00 C ATOM 1442 C PRO A 97 18.130 -2.349 7.902 1.00 0.00 C ATOM 1443 O PRO A 97 17.640 -2.775 8.948 1.00 0.00 O ATOM 1444 CB PRO A 97 20.153 -1.273 8.927 1.00 0.00 C ATOM 1445 CG PRO A 97 19.649 -0.602 10.157 1.00 0.00 C ATOM 1446 CD PRO A 97 18.790 0.538 9.684 1.00 0.00 C ATOM 0 HA PRO A 97 19.372 -1.013 6.877 1.00 0.00 H new ATOM 0 HB2 PRO A 97 20.374 -2.324 9.112 1.00 0.00 H new ATOM 0 HB3 PRO A 97 21.075 -0.811 8.574 1.00 0.00 H new ATOM 0 HG2 PRO A 97 19.074 -1.295 10.772 1.00 0.00 H new ATOM 0 HG3 PRO A 97 20.474 -0.240 10.770 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.960 0.726 10.366 1.00 0.00 H new ATOM 0 HD3 PRO A 97 19.358 1.465 9.610 1.00 0.00 H new ATOM 1454 N SER A 98 17.923 -2.921 6.720 1.00 0.00 N ATOM 1455 CA SER A 98 17.085 -4.106 6.581 1.00 0.00 C ATOM 1456 C SER A 98 17.750 -5.321 7.222 1.00 0.00 C ATOM 1457 O SER A 98 18.920 -5.608 6.966 1.00 0.00 O ATOM 1458 CB SER A 98 16.802 -4.386 5.104 1.00 0.00 C ATOM 1459 OG SER A 98 17.915 -5.001 4.479 1.00 0.00 O ATOM 0 H SER A 98 18.324 -2.583 5.845 1.00 0.00 H new ATOM 0 HA SER A 98 16.143 -3.916 7.095 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.928 -5.031 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.564 -3.453 4.593 1.00 0.00 H new ATOM 0 HG SER A 98 17.708 -5.171 3.536 1.00 0.00 H new ATOM 1465 N SER A 99 16.996 -6.029 8.056 1.00 0.00 N ATOM 1466 CA SER A 99 17.513 -7.211 8.737 1.00 0.00 C ATOM 1467 C SER A 99 16.638 -8.428 8.452 1.00 0.00 C ATOM 1468 O SER A 99 15.729 -8.746 9.217 1.00 0.00 O ATOM 1469 CB SER A 99 17.588 -6.964 10.245 1.00 0.00 C ATOM 1470 OG SER A 99 16.332 -6.554 10.758 1.00 0.00 O ATOM 0 H SER A 99 16.026 -5.805 8.277 1.00 0.00 H new ATOM 0 HA SER A 99 18.516 -7.410 8.358 1.00 0.00 H new ATOM 0 HB2 SER A 99 17.911 -7.874 10.750 1.00 0.00 H new ATOM 0 HB3 SER A 99 18.337 -6.200 10.455 1.00 0.00 H new ATOM 0 HG SER A 99 15.629 -7.142 10.411 1.00 0.00 H new ATOM 1476 N GLY A 100 16.921 -9.106 7.344 1.00 0.00 N ATOM 1477 CA GLY A 100 16.152 -10.280 6.976 1.00 0.00 C ATOM 1478 C GLY A 100 17.006 -11.530 6.894 1.00 0.00 C ATOM 1479 O GLY A 100 16.572 -12.553 6.365 1.00 0.00 O ATOM 0 H GLY A 100 17.669 -8.863 6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.357 -10.434 7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.671 -10.108 6.013 1.00 0.00 H new TER 1483 GLY A 100