USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 474 hydrogens (9 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 NoAdj-H: A 1 LYS H1 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: A 1 LYS H2 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H1 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H2 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H1 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H2 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD Single : A 1 LYS N :NH3+ -160:sc= -0.0691 (180deg=-0.434) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -3.47 K(o=-3.5,f=-7.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= 0.231 (180deg=-0.0153) USER MOD Single : A 18 SER OG : rot 180:sc= -0.817 USER MOD Single : A 19 SER OG : rot -70:sc= 0.136 USER MOD Single : A 20 SER OG : rot 180:sc= -0.13 USER MOD Single : B 1 LYS N :NH3+ -161:sc= -0.103 (180deg=-0.456) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -3.53 K(o=-3.5,f=-7.3!) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 165:sc= 0.293 (180deg=0.0494) USER MOD Single : B 18 SER OG : rot 180:sc= -0.907 USER MOD Single : B 19 SER OG : rot -71:sc= 0.153 USER MOD Single : B 20 SER OG : rot 180:sc= -0.113 USER MOD Single : C 1 LYS N :NH3+ -161:sc= -0.1 (180deg=-0.483) USER MOD Single : C 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 ASN : amide:sc= -3.49 K(o=-3.5,f=-7.4!) USER MOD Single : C 9 THR OG1 : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 13 LYS NZ :NH3+ 163:sc= 0.22 (180deg=-0.0104) USER MOD Single : C 18 SER OG : rot 26:sc= -0.778 USER MOD Single : C 19 SER OG : rot -70:sc= 0.101 USER MOD Single : C 20 SER OG : rot 180:sc= -0.171 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.810 5.386 15.563 1.00 0.00 N ATOM 2 CA LYS A 1 -8.914 6.283 15.232 1.00 0.00 C ATOM 3 C LYS A 1 -8.394 7.554 14.565 1.00 0.00 C ATOM 4 O LYS A 1 -9.138 8.518 14.380 1.00 0.00 O ATOM 5 CB LYS A 1 -9.693 6.648 16.497 1.00 0.00 C ATOM 6 CG LYS A 1 -10.409 5.407 17.031 1.00 0.00 C ATOM 7 CD LYS A 1 -11.192 5.772 18.293 1.00 0.00 C ATOM 8 CE LYS A 1 -11.911 4.532 18.826 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.663 4.886 20.064 1.00 0.00 N ATOM 0 H3 LYS A 1 -8.174 4.420 15.693 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.576 5.768 14.537 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.015 7.043 17.253 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.417 7.432 16.277 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.085 5.010 16.273 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.684 4.624 17.254 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.516 6.167 19.051 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.915 6.557 18.071 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.595 4.143 18.072 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.189 3.744 19.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.152 4.043 20.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.000 5.238 20.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.362 5.625 19.846 1.00 0.00 H new ATOM 23 N ASN A 2 -7.115 7.545 14.209 1.00 0.00 N ATOM 24 CA ASN A 2 -6.509 8.701 13.566 1.00 0.00 C ATOM 25 C ASN A 2 -7.160 8.963 12.211 1.00 0.00 C ATOM 26 O ASN A 2 -7.643 8.042 11.551 1.00 0.00 O ATOM 27 CB ASN A 2 -5.005 8.465 13.378 1.00 0.00 C ATOM 28 CG ASN A 2 -4.777 7.189 12.578 1.00 0.00 C ATOM 29 OD1 ASN A 2 -5.695 6.387 12.412 1.00 0.00 O ATOM 30 ND2 ASN A 2 -3.596 6.945 12.079 1.00 0.00 N ATOM 0 H ASN A 2 -6.484 6.757 14.354 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.663 9.572 14.203 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.557 9.314 12.861 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.516 8.388 14.349 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.433 6.088 11.550 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.836 7.611 12.218 1.00 0.00 H new ATOM 37 N PRO A 3 -7.168 10.194 11.783 1.00 0.00 N ATOM 38 CA PRO A 3 -7.767 10.595 10.473 1.00 0.00 C ATOM 39 C PRO A 3 -7.058 9.932 9.293 1.00 0.00 C ATOM 40 O PRO A 3 -7.611 9.838 8.200 1.00 0.00 O ATOM 41 CB PRO A 3 -7.595 12.122 10.441 1.00 0.00 C ATOM 42 CG PRO A 3 -6.505 12.415 11.417 1.00 0.00 C ATOM 43 CD PRO A 3 -6.617 11.355 12.500 1.00 0.00 C ATOM 0 HA PRO A 3 -8.808 10.284 10.384 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.331 12.467 9.441 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.519 12.628 10.720 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.528 12.378 10.934 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.615 13.415 11.837 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.647 11.130 12.944 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.272 11.675 13.310 1.00 0.00 H new ATOM 51 N GLU A 4 -5.834 9.480 9.528 1.00 0.00 N ATOM 52 CA GLU A 4 -5.055 8.826 8.484 1.00 0.00 C ATOM 53 C GLU A 4 -5.720 7.516 8.070 1.00 0.00 C ATOM 54 O GLU A 4 -5.355 6.913 7.063 1.00 0.00 O ATOM 55 CB GLU A 4 -3.636 8.552 8.977 1.00 0.00 C ATOM 56 CG GLU A 4 -2.956 9.872 9.336 1.00 0.00 C ATOM 57 CD GLU A 4 -2.711 10.697 8.076 1.00 0.00 C ATOM 58 OE1 GLU A 4 -2.895 10.162 6.996 1.00 0.00 O ATOM 59 OE2 GLU A 4 -2.342 11.851 8.210 1.00 0.00 O ATOM 0 H GLU A 4 -5.360 9.553 10.428 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.009 9.489 7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.663 7.896 9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.065 8.035 8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.579 10.433 10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.010 9.677 9.842 1.00 0.00 H new ATOM 66 N ALA A 5 -6.696 7.077 8.862 1.00 0.00 N ATOM 67 CA ALA A 5 -7.404 5.835 8.577 1.00 0.00 C ATOM 68 C ALA A 5 -8.049 5.901 7.196 1.00 0.00 C ATOM 69 O ALA A 5 -8.300 4.874 6.567 1.00 0.00 O ATOM 70 CB ALA A 5 -8.477 5.585 9.639 1.00 0.00 C ATOM 0 H ALA A 5 -7.012 7.562 9.702 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.688 5.014 8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.000 4.655 9.416 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.008 5.512 10.620 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.189 6.410 9.638 1.00 0.00 H new ATOM 76 N GLU A 6 -8.327 7.113 6.733 1.00 0.00 N ATOM 77 CA GLU A 6 -8.947 7.300 5.426 1.00 0.00 C ATOM 78 C GLU A 6 -8.056 6.725 4.327 1.00 0.00 C ATOM 79 O GLU A 6 -8.544 6.134 3.364 1.00 0.00 O ATOM 80 CB GLU A 6 -9.176 8.789 5.165 1.00 0.00 C ATOM 81 CG GLU A 6 -10.267 9.311 6.099 1.00 0.00 C ATOM 82 CD GLU A 6 -10.442 10.813 5.911 1.00 0.00 C ATOM 83 OE1 GLU A 6 -11.360 11.361 6.499 1.00 0.00 O ATOM 84 OE2 GLU A 6 -9.651 11.395 5.188 1.00 0.00 O ATOM 0 H GLU A 6 -8.135 7.977 7.239 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.904 6.777 5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.251 9.343 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.467 8.946 4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.207 8.799 5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.005 9.094 7.135 1.00 0.00 H new ATOM 91 N GLU A 7 -6.745 6.885 4.487 1.00 0.00 N ATOM 92 CA GLU A 7 -5.793 6.359 3.511 1.00 0.00 C ATOM 93 C GLU A 7 -5.861 4.835 3.463 1.00 0.00 C ATOM 94 O GLU A 7 -5.741 4.234 2.397 1.00 0.00 O ATOM 95 CB GLU A 7 -4.374 6.808 3.869 1.00 0.00 C ATOM 96 CG GLU A 7 -4.208 8.291 3.533 1.00 0.00 C ATOM 97 CD GLU A 7 -4.248 8.482 2.018 1.00 0.00 C ATOM 98 OE1 GLU A 7 -5.175 9.118 1.537 1.00 0.00 O ATOM 99 OE2 GLU A 7 -3.338 8.004 1.359 1.00 0.00 O ATOM 0 H GLU A 7 -6.319 7.371 5.277 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.054 6.749 2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.185 6.641 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.644 6.215 3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.001 8.872 4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.263 8.661 3.931 1.00 0.00 H new ATOM 106 N ILE A 8 -6.055 4.219 4.626 1.00 0.00 N ATOM 107 CA ILE A 8 -6.140 2.764 4.701 1.00 0.00 C ATOM 108 C ILE A 8 -7.328 2.268 3.877 1.00 0.00 C ATOM 109 O ILE A 8 -7.208 1.296 3.131 1.00 0.00 O ATOM 110 CB ILE A 8 -6.292 2.324 6.164 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.926 2.369 6.851 1.00 0.00 C ATOM 112 CG2 ILE A 8 -6.850 0.902 6.217 1.00 0.00 C ATOM 113 CD1 ILE A 8 -4.308 3.757 6.687 1.00 0.00 C ATOM 0 H ILE A 8 -6.155 4.699 5.521 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.225 2.332 4.296 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.979 2.997 6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.033 2.132 7.909 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.267 1.615 6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.957 0.592 7.256 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.824 0.875 5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.168 0.224 5.704 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.335 3.783 7.178 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.185 3.977 5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.962 4.502 7.139 1.00 0.00 H new ATOM 125 N THR A 9 -8.467 2.941 4.024 1.00 0.00 N ATOM 126 CA THR A 9 -9.666 2.560 3.285 1.00 0.00 C ATOM 127 C THR A 9 -9.397 2.681 1.786 1.00 0.00 C ATOM 128 O THR A 9 -9.798 1.824 1.000 1.00 0.00 O ATOM 129 CB THR A 9 -10.831 3.470 3.677 1.00 0.00 C ATOM 130 OG1 THR A 9 -11.107 3.304 5.058 1.00 0.00 O ATOM 131 CG2 THR A 9 -12.062 3.101 2.854 1.00 0.00 C ATOM 0 H THR A 9 -8.584 3.744 4.641 1.00 0.00 H new ATOM 0 HA THR A 9 -9.926 1.529 3.526 1.00 0.00 H new ATOM 0 HB THR A 9 -10.570 4.510 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.852 3.886 5.315 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.893 3.749 3.132 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.842 3.228 1.794 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.331 2.062 3.047 1.00 0.00 H new ATOM 139 N ARG A 10 -8.711 3.752 1.392 1.00 0.00 N ATOM 140 CA ARG A 10 -8.382 3.966 -0.012 1.00 0.00 C ATOM 141 C ARG A 10 -7.478 2.833 -0.508 1.00 0.00 C ATOM 142 O ARG A 10 -7.621 2.354 -1.631 1.00 0.00 O ATOM 143 CB ARG A 10 -7.656 5.300 -0.186 1.00 0.00 C ATOM 144 CG ARG A 10 -7.571 5.646 -1.673 1.00 0.00 C ATOM 145 CD ARG A 10 -6.546 6.760 -1.883 1.00 0.00 C ATOM 146 NE ARG A 10 -6.866 7.905 -1.040 1.00 0.00 N ATOM 147 CZ ARG A 10 -7.780 8.796 -1.406 1.00 0.00 C ATOM 148 NH1 ARG A 10 -8.047 9.814 -0.635 1.00 0.00 N ATOM 149 NH2 ARG A 10 -8.415 8.650 -2.538 1.00 0.00 N ATOM 0 H ARG A 10 -8.375 4.480 2.022 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.306 3.981 -0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.185 6.087 0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.655 5.240 0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.286 4.764 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.547 5.963 -2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.547 6.394 -1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.536 7.062 -2.930 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.379 8.024 -0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.553 9.926 0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.749 10.497 -0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.209 7.852 -3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.117 9.334 -2.821 1.00 0.00 H new ATOM 163 N CYS A 11 -6.534 2.415 0.337 1.00 0.00 N ATOM 164 CA CYS A 11 -5.614 1.345 -0.033 1.00 0.00 C ATOM 165 C CYS A 11 -6.390 0.108 -0.468 1.00 0.00 C ATOM 166 O CYS A 11 -6.104 -0.478 -1.509 1.00 0.00 O ATOM 167 CB CYS A 11 -4.720 0.993 1.159 1.00 0.00 C ATOM 168 SG CYS A 11 -3.249 0.116 0.572 1.00 0.00 S ATOM 0 H CYS A 11 -6.389 2.798 1.271 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.996 1.688 -0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.429 1.900 1.689 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.268 0.372 1.868 1.00 0.00 H new ATOM 173 N LYS A 12 -7.378 -0.278 0.335 1.00 0.00 N ATOM 174 CA LYS A 12 -8.192 -1.445 0.020 1.00 0.00 C ATOM 175 C LYS A 12 -8.930 -1.236 -1.301 1.00 0.00 C ATOM 176 O LYS A 12 -8.995 -2.136 -2.136 1.00 0.00 O ATOM 177 CB LYS A 12 -9.201 -1.698 1.140 1.00 0.00 C ATOM 178 CG LYS A 12 -9.985 -2.978 0.842 1.00 0.00 C ATOM 179 CD LYS A 12 -10.966 -3.251 1.982 1.00 0.00 C ATOM 180 CE LYS A 12 -11.742 -4.537 1.690 1.00 0.00 C ATOM 181 NZ LYS A 12 -12.690 -4.810 2.808 1.00 0.00 N ATOM 0 H LYS A 12 -7.632 0.197 1.201 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.536 -2.311 -0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.684 -1.790 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.884 -0.853 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.524 -2.876 -0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.300 -3.818 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.427 -3.345 2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.656 -2.414 2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.288 -4.440 0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.052 -5.372 1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.218 -5.684 2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.158 -4.920 3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.356 -4.017 2.900 1.00 0.00 H new ATOM 195 N LYS A 13 -9.485 -0.040 -1.480 1.00 0.00 N ATOM 196 CA LYS A 13 -10.207 0.276 -2.701 1.00 0.00 C ATOM 197 C LYS A 13 -9.274 0.200 -3.906 1.00 0.00 C ATOM 198 O LYS A 13 -9.649 -0.309 -4.965 1.00 0.00 O ATOM 199 CB LYS A 13 -10.814 1.678 -2.605 1.00 0.00 C ATOM 200 CG LYS A 13 -11.586 2.000 -3.888 1.00 0.00 C ATOM 201 CD LYS A 13 -12.775 1.043 -4.029 1.00 0.00 C ATOM 202 CE LYS A 13 -13.789 1.629 -5.008 1.00 0.00 C ATOM 203 NZ LYS A 13 -13.144 1.830 -6.335 1.00 0.00 N ATOM 0 H LYS A 13 -9.447 0.718 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.007 -0.453 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.480 1.737 -1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.026 2.415 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.938 3.031 -3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.928 1.908 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.432 0.071 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.243 0.882 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.644 0.960 -5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.169 2.578 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.876 1.983 -7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.519 2.660 -6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.586 0.988 -6.581 1.00 0.00 H new ATOM 217 N LEU A 14 -8.063 0.721 -3.746 1.00 0.00 N ATOM 218 CA LEU A 14 -7.092 0.717 -4.836 1.00 0.00 C ATOM 219 C LEU A 14 -6.742 -0.714 -5.224 1.00 0.00 C ATOM 220 O LEU A 14 -6.634 -1.037 -6.403 1.00 0.00 O ATOM 221 CB LEU A 14 -5.824 1.447 -4.386 1.00 0.00 C ATOM 222 CG LEU A 14 -6.114 2.944 -4.257 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.016 3.611 -3.421 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.140 3.587 -5.651 1.00 0.00 C ATOM 0 H LEU A 14 -7.731 1.148 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.524 1.222 -5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.482 1.049 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.022 1.282 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.080 3.079 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.225 4.677 -3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.990 3.161 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.051 3.470 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.347 4.653 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.173 3.446 -6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.918 3.119 -6.253 1.00 0.00 H new ATOM 236 N LEU A 15 -6.580 -1.574 -4.218 1.00 0.00 N ATOM 237 CA LEU A 15 -6.262 -2.976 -4.467 1.00 0.00 C ATOM 238 C LEU A 15 -7.420 -3.671 -5.178 1.00 0.00 C ATOM 239 O LEU A 15 -7.217 -4.487 -6.074 1.00 0.00 O ATOM 240 CB LEU A 15 -5.966 -3.686 -3.148 1.00 0.00 C ATOM 241 CG LEU A 15 -4.653 -3.155 -2.569 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.476 -3.682 -1.143 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.475 -3.626 -3.437 1.00 0.00 C ATOM 0 H LEU A 15 -6.663 -1.325 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.381 -3.022 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.780 -3.521 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.897 -4.762 -3.309 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.679 -2.065 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.541 -3.305 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.308 -3.346 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.452 -4.772 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.542 -3.246 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.448 -4.716 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.599 -3.251 -4.453 1.00 0.00 H new ATOM 255 N ASP A 16 -8.640 -3.337 -4.772 1.00 0.00 N ATOM 256 CA ASP A 16 -9.830 -3.929 -5.374 1.00 0.00 C ATOM 257 C ASP A 16 -9.906 -3.578 -6.857 1.00 0.00 C ATOM 258 O ASP A 16 -10.334 -4.388 -7.679 1.00 0.00 O ATOM 259 CB ASP A 16 -11.086 -3.427 -4.661 1.00 0.00 C ATOM 260 CG ASP A 16 -11.186 -4.054 -3.276 1.00 0.00 C ATOM 261 OD1 ASP A 16 -10.459 -5.002 -3.022 1.00 0.00 O ATOM 262 OD2 ASP A 16 -11.987 -3.579 -2.490 1.00 0.00 O ATOM 0 H ASP A 16 -8.831 -2.662 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.767 -5.012 -5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.056 -2.341 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.971 -3.677 -5.247 1.00 0.00 H new ATOM 267 N ASP A 17 -9.484 -2.366 -7.193 1.00 0.00 N ATOM 268 CA ASP A 17 -9.506 -1.910 -8.578 1.00 0.00 C ATOM 269 C ASP A 17 -8.569 -2.756 -9.434 1.00 0.00 C ATOM 270 O ASP A 17 -8.558 -2.643 -10.658 1.00 0.00 O ATOM 271 CB ASP A 17 -9.088 -0.440 -8.657 1.00 0.00 C ATOM 272 CG ASP A 17 -10.191 0.445 -8.089 1.00 0.00 C ATOM 273 OD1 ASP A 17 -9.914 1.602 -7.822 1.00 0.00 O ATOM 274 OD2 ASP A 17 -11.298 -0.044 -7.938 1.00 0.00 O ATOM 0 H ASP A 17 -9.123 -1.682 -6.528 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.522 -2.015 -8.957 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.163 -0.286 -8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.887 -0.165 -9.692 1.00 0.00 H new ATOM 279 N SER A 18 -7.780 -3.600 -8.782 1.00 0.00 N ATOM 280 CA SER A 18 -6.833 -4.452 -9.490 1.00 0.00 C ATOM 281 C SER A 18 -7.551 -5.297 -10.533 1.00 0.00 C ATOM 282 O SER A 18 -6.998 -5.590 -11.595 1.00 0.00 O ATOM 283 CB SER A 18 -6.110 -5.367 -8.501 1.00 0.00 C ATOM 284 OG SER A 18 -5.163 -6.164 -9.202 1.00 0.00 O ATOM 0 H SER A 18 -7.776 -3.713 -7.768 1.00 0.00 H new ATOM 0 HA SER A 18 -6.106 -3.814 -9.992 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.608 -4.772 -7.738 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.829 -6.005 -7.986 1.00 0.00 H new ATOM 0 HG SER A 18 -4.697 -6.750 -8.570 1.00 0.00 H new ATOM 290 N SER A 19 -8.779 -5.681 -10.229 1.00 0.00 N ATOM 291 CA SER A 19 -9.565 -6.494 -11.154 1.00 0.00 C ATOM 292 C SER A 19 -10.156 -5.630 -12.263 1.00 0.00 C ATOM 293 O SER A 19 -10.684 -6.142 -13.250 1.00 0.00 O ATOM 294 CB SER A 19 -10.697 -7.194 -10.401 1.00 0.00 C ATOM 295 OG SER A 19 -11.621 -6.221 -9.929 1.00 0.00 O ATOM 0 H SER A 19 -9.254 -5.448 -9.357 1.00 0.00 H new ATOM 0 HA SER A 19 -8.905 -7.238 -11.600 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.202 -7.903 -11.057 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.294 -7.765 -9.565 1.00 0.00 H new ATOM 0 HG SER A 19 -11.211 -5.705 -9.203 1.00 0.00 H new ATOM 301 N SER A 20 -10.053 -4.318 -12.098 1.00 0.00 N ATOM 302 CA SER A 20 -10.570 -3.386 -13.096 1.00 0.00 C ATOM 303 C SER A 20 -9.578 -3.222 -14.244 1.00 0.00 C ATOM 304 O SER A 20 -8.366 -3.316 -14.049 1.00 0.00 O ATOM 305 CB SER A 20 -10.842 -2.026 -12.454 1.00 0.00 C ATOM 306 OG SER A 20 -11.483 -2.222 -11.201 1.00 0.00 O ATOM 0 H SER A 20 -9.619 -3.875 -11.288 1.00 0.00 H new ATOM 0 HA SER A 20 -11.501 -3.791 -13.492 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.908 -1.481 -12.317 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.471 -1.421 -13.107 1.00 0.00 H new ATOM 0 HG SER A 20 -11.658 -1.353 -10.784 1.00 0.00 H new TER 312 SER A 20 ATOM 313 N LYS B 1 -10.100 -2.964 -15.439 1.00 0.00 N ATOM 314 CA LYS B 1 -9.250 -2.772 -16.611 1.00 0.00 C ATOM 315 C LYS B 1 -8.774 -1.325 -16.698 1.00 0.00 C ATOM 316 O LYS B 1 -8.208 -0.907 -17.709 1.00 0.00 O ATOM 317 CB LYS B 1 -10.017 -3.139 -17.881 1.00 0.00 C ATOM 318 CG LYS B 1 -10.273 -4.647 -17.904 1.00 0.00 C ATOM 319 CD LYS B 1 -11.046 -5.013 -19.172 1.00 0.00 C ATOM 320 CE LYS B 1 -11.296 -6.523 -19.201 1.00 0.00 C ATOM 321 NZ LYS B 1 -12.071 -6.875 -20.422 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.151 -3.977 -15.209 1.00 0.00 H new ATOM 0 HA LYS B 1 -8.380 -3.422 -16.515 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -10.963 -2.598 -17.917 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -9.447 -2.843 -18.761 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -9.327 -5.188 -17.873 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -10.839 -4.944 -17.021 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -11.994 -4.476 -19.200 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -10.482 -4.710 -20.054 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -10.347 -7.060 -19.192 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -11.843 -6.829 -18.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -12.241 -7.901 -20.442 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -12.982 -6.373 -20.412 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -11.532 -6.597 -21.267 1.00 0.00 H new ATOM 335 N ASN B 2 -9.006 -0.566 -15.633 1.00 0.00 N ATOM 336 CA ASN B 2 -8.599 0.830 -15.605 1.00 0.00 C ATOM 337 C ASN B 2 -7.081 0.948 -15.695 1.00 0.00 C ATOM 338 O ASN B 2 -6.350 0.054 -15.269 1.00 0.00 O ATOM 339 CB ASN B 2 -9.092 1.490 -14.310 1.00 0.00 C ATOM 340 CG ASN B 2 -8.554 0.732 -13.104 1.00 0.00 C ATOM 341 OD1 ASN B 2 -8.038 -0.376 -13.246 1.00 0.00 O ATOM 342 ND2 ASN B 2 -8.654 1.260 -11.914 1.00 0.00 N ATOM 0 H ASN B 2 -9.470 -0.892 -14.785 1.00 0.00 H new ATOM 0 HA ASN B 2 -9.041 1.337 -16.463 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -8.764 2.529 -14.273 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -10.182 1.499 -14.288 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -8.304 0.754 -11.100 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -9.082 2.179 -11.798 1.00 0.00 H new ATOM 349 N PRO B 3 -6.600 2.037 -16.226 1.00 0.00 N ATOM 350 CA PRO B 3 -5.135 2.289 -16.371 1.00 0.00 C ATOM 351 C PRO B 3 -4.428 2.349 -15.018 1.00 0.00 C ATOM 352 O PRO B 3 -3.212 2.187 -14.936 1.00 0.00 O ATOM 353 CB PRO B 3 -5.065 3.645 -17.096 1.00 0.00 C ATOM 354 CG PRO B 3 -6.392 4.287 -16.860 1.00 0.00 C ATOM 355 CD PRO B 3 -7.396 3.152 -16.764 1.00 0.00 C ATOM 0 HA PRO B 3 -4.632 1.490 -16.915 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -4.255 4.260 -16.703 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -4.876 3.512 -18.161 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.382 4.877 -15.944 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.647 4.966 -17.674 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.228 3.406 -16.107 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -7.822 2.909 -17.737 1.00 0.00 H new ATOM 363 N GLU B 4 -5.199 2.585 -13.967 1.00 0.00 N ATOM 364 CA GLU B 4 -4.643 2.664 -12.623 1.00 0.00 C ATOM 365 C GLU B 4 -4.073 1.310 -12.204 1.00 0.00 C ATOM 366 O GLU B 4 -3.353 1.208 -11.214 1.00 0.00 O ATOM 367 CB GLU B 4 -5.721 3.096 -11.628 1.00 0.00 C ATOM 368 CG GLU B 4 -6.242 4.480 -12.017 1.00 0.00 C ATOM 369 CD GLU B 4 -5.136 5.518 -11.857 1.00 0.00 C ATOM 370 OE1 GLU B 4 -4.179 5.234 -11.157 1.00 0.00 O ATOM 371 OE2 GLU B 4 -5.263 6.582 -12.440 1.00 0.00 O ATOM 0 H GLU B 4 -6.208 2.725 -14.017 1.00 0.00 H new ATOM 0 HA GLU B 4 -3.842 3.403 -12.625 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.538 2.375 -11.624 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.312 3.119 -10.618 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.594 4.468 -13.048 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.094 4.746 -11.392 1.00 0.00 H new ATOM 378 N ALA B 5 -4.407 0.272 -12.967 1.00 0.00 N ATOM 379 CA ALA B 5 -3.936 -1.075 -12.664 1.00 0.00 C ATOM 380 C ALA B 5 -2.412 -1.104 -12.630 1.00 0.00 C ATOM 381 O ALA B 5 -1.811 -1.957 -11.978 1.00 0.00 O ATOM 382 CB ALA B 5 -4.450 -2.060 -13.716 1.00 0.00 C ATOM 0 H ALA B 5 -4.999 0.338 -13.795 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.318 -1.367 -11.686 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.093 -3.063 -13.481 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -5.540 -2.054 -13.718 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.084 -1.766 -14.700 1.00 0.00 H new ATOM 388 N GLU B 6 -1.789 -0.171 -13.337 1.00 0.00 N ATOM 389 CA GLU B 6 -0.331 -0.099 -13.377 1.00 0.00 C ATOM 390 C GLU B 6 0.227 0.124 -11.972 1.00 0.00 C ATOM 391 O GLU B 6 1.258 -0.441 -11.607 1.00 0.00 O ATOM 392 CB GLU B 6 0.110 1.049 -14.285 1.00 0.00 C ATOM 393 CG GLU B 6 -0.210 0.703 -15.737 1.00 0.00 C ATOM 394 CD GLU B 6 0.137 1.878 -16.644 1.00 0.00 C ATOM 395 OE1 GLU B 6 0.035 1.722 -17.849 1.00 0.00 O ATOM 396 OE2 GLU B 6 0.496 2.919 -16.119 1.00 0.00 O ATOM 0 H GLU B 6 -2.265 0.543 -13.888 1.00 0.00 H new ATOM 0 HA GLU B 6 0.052 -1.041 -13.769 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -0.399 1.969 -13.999 1.00 0.00 H new ATOM 0 HB3 GLU B 6 1.179 1.227 -14.170 1.00 0.00 H new ATOM 0 HG2 GLU B 6 0.352 -0.180 -16.041 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.267 0.457 -15.836 1.00 0.00 H new ATOM 403 N GLU B 7 -0.469 0.937 -11.181 1.00 0.00 N ATOM 404 CA GLU B 7 -0.044 1.207 -9.809 1.00 0.00 C ATOM 405 C GLU B 7 -0.086 -0.069 -8.975 1.00 0.00 C ATOM 406 O GLU B 7 0.781 -0.295 -8.130 1.00 0.00 O ATOM 407 CB GLU B 7 -0.947 2.272 -9.182 1.00 0.00 C ATOM 408 CG GLU B 7 -0.602 3.643 -9.766 1.00 0.00 C ATOM 409 CD GLU B 7 0.792 4.063 -9.300 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.671 4.185 -10.141 1.00 0.00 O ATOM 411 OE2 GLU B 7 0.956 4.274 -8.109 1.00 0.00 O ATOM 0 H GLU B 7 -1.323 1.417 -11.463 1.00 0.00 H new ATOM 0 HA GLU B 7 0.982 1.575 -9.829 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.993 2.036 -9.375 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.817 2.283 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.636 3.605 -10.855 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.340 4.380 -9.450 1.00 0.00 H new ATOM 418 N ILE B 8 -1.097 -0.899 -9.218 1.00 0.00 N ATOM 419 CA ILE B 8 -1.236 -2.150 -8.479 1.00 0.00 C ATOM 420 C ILE B 8 -0.021 -3.041 -8.731 1.00 0.00 C ATOM 421 O ILE B 8 0.525 -3.630 -7.797 1.00 0.00 O ATOM 422 CB ILE B 8 -2.520 -2.871 -8.915 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.722 -2.233 -8.221 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.431 -4.351 -8.536 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.745 -0.730 -8.504 1.00 0.00 C ATOM 0 H ILE B 8 -1.824 -0.731 -9.913 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.297 -1.932 -7.413 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.638 -2.783 -9.995 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -4.645 -2.693 -8.575 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -3.669 -2.409 -7.147 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.343 -4.861 -8.846 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.574 -4.804 -9.035 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.312 -4.444 -7.456 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.604 -0.279 -8.007 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -2.829 -0.275 -8.128 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -3.819 -0.563 -9.579 1.00 0.00 H new ATOM 437 N THR B 9 0.391 -3.134 -9.993 1.00 0.00 N ATOM 438 CA THR B 9 1.544 -3.953 -10.349 1.00 0.00 C ATOM 439 C THR B 9 2.786 -3.420 -9.636 1.00 0.00 C ATOM 440 O THR B 9 3.598 -4.189 -9.121 1.00 0.00 O ATOM 441 CB THR B 9 1.763 -3.913 -11.863 1.00 0.00 C ATOM 442 OG1 THR B 9 0.627 -4.460 -12.512 1.00 0.00 O ATOM 443 CG2 THR B 9 3.004 -4.727 -12.217 1.00 0.00 C ATOM 0 H THR B 9 -0.052 -2.657 -10.778 1.00 0.00 H new ATOM 0 HA THR B 9 1.362 -4.983 -10.042 1.00 0.00 H new ATOM 0 HB THR B 9 1.906 -2.883 -12.190 1.00 0.00 H new ATOM 0 HG1 THR B 9 0.761 -4.435 -13.482 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.162 -4.700 -13.295 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.873 -4.304 -11.712 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.865 -5.760 -11.897 1.00 0.00 H new ATOM 451 N ARG B 10 2.926 -2.096 -9.599 1.00 0.00 N ATOM 452 CA ARG B 10 4.065 -1.473 -8.933 1.00 0.00 C ATOM 453 C ARG B 10 4.039 -1.818 -7.441 1.00 0.00 C ATOM 454 O ARG B 10 5.077 -2.072 -6.832 1.00 0.00 O ATOM 455 CB ARG B 10 4.006 0.045 -9.099 1.00 0.00 C ATOM 456 CG ARG B 10 5.327 0.661 -8.637 1.00 0.00 C ATOM 457 CD ARG B 10 5.151 2.169 -8.454 1.00 0.00 C ATOM 458 NE ARG B 10 4.619 2.766 -9.671 1.00 0.00 N ATOM 459 CZ ARG B 10 5.411 3.066 -10.694 1.00 0.00 C ATOM 460 NH1 ARG B 10 4.908 3.603 -11.772 1.00 0.00 N ATOM 461 NH2 ARG B 10 6.690 2.821 -10.622 1.00 0.00 N ATOM 0 H ARG B 10 2.269 -1.439 -10.020 1.00 0.00 H new ATOM 0 HA ARG B 10 4.984 -1.848 -9.383 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.819 0.300 -10.142 1.00 0.00 H new ATOM 0 HB3 ARG B 10 3.179 0.453 -8.518 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.645 0.205 -7.699 1.00 0.00 H new ATOM 0 HG3 ARG B 10 6.109 0.462 -9.370 1.00 0.00 H new ATOM 0 HD2 ARG B 10 4.477 2.365 -7.620 1.00 0.00 H new ATOM 0 HD3 ARG B 10 6.108 2.626 -8.205 1.00 0.00 H new ATOM 0 HE ARG B 10 3.619 2.957 -9.739 1.00 0.00 H new ATOM 0 HH11 ARG B 10 3.907 3.792 -11.828 1.00 0.00 H new ATOM 0 HH12 ARG B 10 5.516 3.834 -12.558 1.00 0.00 H new ATOM 0 HH21 ARG B 10 7.082 2.399 -9.780 1.00 0.00 H new ATOM 0 HH22 ARG B 10 7.298 3.051 -11.408 1.00 0.00 H new ATOM 475 N CYS B 11 2.842 -1.818 -6.852 1.00 0.00 N ATOM 476 CA CYS B 11 2.701 -2.129 -5.431 1.00 0.00 C ATOM 477 C CYS B 11 3.334 -3.483 -5.120 1.00 0.00 C ATOM 478 O CYS B 11 4.104 -3.613 -4.170 1.00 0.00 O ATOM 479 CB CYS B 11 1.216 -2.160 -5.055 1.00 0.00 C ATOM 480 SG CYS B 11 1.048 -1.981 -3.263 1.00 0.00 S ATOM 0 H CYS B 11 1.966 -1.609 -7.331 1.00 0.00 H new ATOM 0 HA CYS B 11 3.209 -1.359 -4.851 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.684 -1.356 -5.564 1.00 0.00 H new ATOM 0 HB3 CYS B 11 0.766 -3.097 -5.382 1.00 0.00 H new ATOM 485 N LYS B 12 3.006 -4.488 -5.929 1.00 0.00 N ATOM 486 CA LYS B 12 3.553 -5.826 -5.732 1.00 0.00 C ATOM 487 C LYS B 12 5.074 -5.801 -5.868 1.00 0.00 C ATOM 488 O LYS B 12 5.789 -6.411 -5.074 1.00 0.00 O ATOM 489 CB LYS B 12 2.959 -6.790 -6.758 1.00 0.00 C ATOM 490 CG LYS B 12 3.462 -8.206 -6.479 1.00 0.00 C ATOM 491 CD LYS B 12 2.844 -9.176 -7.487 1.00 0.00 C ATOM 492 CE LYS B 12 3.340 -10.594 -7.203 1.00 0.00 C ATOM 493 NZ LYS B 12 2.731 -11.540 -8.181 1.00 0.00 N ATOM 0 H LYS B 12 2.369 -4.402 -6.721 1.00 0.00 H new ATOM 0 HA LYS B 12 3.293 -6.165 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.870 -6.763 -6.710 1.00 0.00 H new ATOM 0 HB3 LYS B 12 3.241 -6.484 -7.766 1.00 0.00 H new ATOM 0 HG2 LYS B 12 4.549 -8.237 -6.548 1.00 0.00 H new ATOM 0 HG3 LYS B 12 3.199 -8.503 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.757 -9.140 -7.422 1.00 0.00 H new ATOM 0 HD3 LYS B 12 3.113 -8.882 -8.502 1.00 0.00 H new ATOM 0 HE2 LYS B 12 4.427 -10.631 -7.274 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.077 -10.886 -6.186 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 3.069 -12.504 -7.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 1.695 -11.512 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.004 -11.265 -9.146 1.00 0.00 H new ATOM 507 N LYS B 13 5.562 -5.087 -6.881 1.00 0.00 N ATOM 508 CA LYS B 13 6.994 -4.984 -7.103 1.00 0.00 C ATOM 509 C LYS B 13 7.670 -4.310 -5.912 1.00 0.00 C ATOM 510 O LYS B 13 8.746 -4.725 -5.478 1.00 0.00 O ATOM 511 CB LYS B 13 7.271 -4.178 -8.376 1.00 0.00 C ATOM 512 CG LYS B 13 8.781 -4.086 -8.616 1.00 0.00 C ATOM 513 CD LYS B 13 9.347 -5.487 -8.874 1.00 0.00 C ATOM 514 CE LYS B 13 10.717 -5.369 -9.538 1.00 0.00 C ATOM 515 NZ LYS B 13 11.639 -4.608 -8.647 1.00 0.00 N ATOM 0 H LYS B 13 4.989 -4.577 -7.553 1.00 0.00 H new ATOM 0 HA LYS B 13 7.400 -5.989 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.786 -4.652 -9.230 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.847 -3.178 -8.283 1.00 0.00 H new ATOM 0 HG2 LYS B 13 8.985 -3.438 -9.468 1.00 0.00 H new ATOM 0 HG3 LYS B 13 9.270 -3.639 -7.751 1.00 0.00 H new ATOM 0 HD2 LYS B 13 9.432 -6.035 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.669 -6.053 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS B 13 11.123 -6.361 -9.737 1.00 0.00 H new ATOM 0 HE3 LYS B 13 10.624 -4.864 -10.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 12.620 -4.741 -8.967 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 11.398 -3.597 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 11.543 -4.954 -7.671 1.00 0.00 H new ATOM 529 N LEU B 14 7.042 -3.260 -5.395 1.00 0.00 N ATOM 530 CA LEU B 14 7.601 -2.531 -4.259 1.00 0.00 C ATOM 531 C LEU B 14 7.695 -3.440 -3.041 1.00 0.00 C ATOM 532 O LEU B 14 8.687 -3.420 -2.318 1.00 0.00 O ATOM 533 CB LEU B 14 6.706 -1.334 -3.936 1.00 0.00 C ATOM 534 CG LEU B 14 6.833 -0.285 -5.045 1.00 0.00 C ATOM 535 CD1 LEU B 14 5.643 0.681 -4.977 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.133 0.510 -4.854 1.00 0.00 C ATOM 0 H LEU B 14 6.154 -2.896 -5.739 1.00 0.00 H new ATOM 0 HA LEU B 14 8.602 -2.185 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.669 -1.657 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.992 -0.901 -2.977 1.00 0.00 H new ATOM 0 HG LEU B 14 6.846 -0.786 -6.013 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.734 1.427 -5.766 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.715 0.125 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.633 1.178 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.223 1.256 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.116 1.008 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU B 14 8.985 -0.169 -4.898 1.00 0.00 H new ATOM 548 N LEU B 15 6.657 -4.247 -2.829 1.00 0.00 N ATOM 549 CA LEU B 15 6.641 -5.176 -1.704 1.00 0.00 C ATOM 550 C LEU B 15 7.731 -6.234 -1.866 1.00 0.00 C ATOM 551 O LEU B 15 8.389 -6.620 -0.904 1.00 0.00 O ATOM 552 CB LEU B 15 5.276 -5.853 -1.605 1.00 0.00 C ATOM 553 CG LEU B 15 4.229 -4.823 -1.175 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.832 -5.427 -1.318 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.466 -4.424 0.292 1.00 0.00 C ATOM 0 H LEU B 15 5.824 -4.276 -3.416 1.00 0.00 H new ATOM 0 HA LEU B 15 6.832 -4.614 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.002 -6.287 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.315 -6.671 -0.886 1.00 0.00 H new ATOM 0 HG LEU B 15 4.312 -3.939 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.086 -4.694 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.661 -5.706 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.752 -6.312 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.719 -3.690 0.595 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.386 -5.307 0.927 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.461 -3.992 0.395 1.00 0.00 H new ATOM 567 N ASP B 16 7.915 -6.698 -3.098 1.00 0.00 N ATOM 568 CA ASP B 16 8.926 -7.711 -3.386 1.00 0.00 C ATOM 569 C ASP B 16 10.318 -7.178 -3.060 1.00 0.00 C ATOM 570 O ASP B 16 11.184 -7.913 -2.588 1.00 0.00 O ATOM 571 CB ASP B 16 8.860 -8.118 -4.858 1.00 0.00 C ATOM 572 CG ASP B 16 7.607 -8.946 -5.113 1.00 0.00 C ATOM 573 OD1 ASP B 16 6.996 -9.375 -4.148 1.00 0.00 O ATOM 574 OD2 ASP B 16 7.275 -9.139 -6.271 1.00 0.00 O ATOM 0 H ASP B 16 7.380 -6.391 -3.910 1.00 0.00 H new ATOM 0 HA ASP B 16 8.727 -8.585 -2.765 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.854 -7.230 -5.490 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.747 -8.693 -5.125 1.00 0.00 H new ATOM 579 N ASP B 17 10.525 -5.891 -3.312 1.00 0.00 N ATOM 580 CA ASP B 17 11.813 -5.261 -3.045 1.00 0.00 C ATOM 581 C ASP B 17 12.118 -5.287 -1.551 1.00 0.00 C ATOM 582 O ASP B 17 13.221 -4.948 -1.126 1.00 0.00 O ATOM 583 CB ASP B 17 11.808 -3.814 -3.544 1.00 0.00 C ATOM 584 CG ASP B 17 11.831 -3.791 -5.068 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.551 -2.745 -5.628 1.00 0.00 O ATOM 586 OD2 ASP B 17 12.135 -4.818 -5.654 1.00 0.00 O ATOM 0 H ASP B 17 9.820 -5.264 -3.700 1.00 0.00 H new ATOM 0 HA ASP B 17 12.585 -5.819 -3.574 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.922 -3.297 -3.177 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.674 -3.281 -3.150 1.00 0.00 H new ATOM 591 N SER B 18 11.132 -5.682 -0.756 1.00 0.00 N ATOM 592 CA SER B 18 11.300 -5.734 0.690 1.00 0.00 C ATOM 593 C SER B 18 12.487 -6.615 1.059 1.00 0.00 C ATOM 594 O SER B 18 13.186 -6.351 2.039 1.00 0.00 O ATOM 595 CB SER B 18 10.033 -6.288 1.346 1.00 0.00 C ATOM 596 OG SER B 18 10.199 -6.299 2.758 1.00 0.00 O ATOM 0 H SER B 18 10.211 -5.970 -1.087 1.00 0.00 H new ATOM 0 HA SER B 18 11.484 -4.722 1.050 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.172 -5.677 1.075 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.834 -7.297 0.984 1.00 0.00 H new ATOM 0 HG SER B 18 9.388 -6.652 3.180 1.00 0.00 H new ATOM 602 N SER B 19 12.709 -7.655 0.273 1.00 0.00 N ATOM 603 CA SER B 19 13.819 -8.571 0.530 1.00 0.00 C ATOM 604 C SER B 19 15.136 -7.972 0.048 1.00 0.00 C ATOM 605 O SER B 19 16.212 -8.488 0.349 1.00 0.00 O ATOM 606 CB SER B 19 13.574 -9.901 -0.184 1.00 0.00 C ATOM 607 OG SER B 19 13.605 -9.691 -1.591 1.00 0.00 O ATOM 0 H SER B 19 12.143 -7.889 -0.543 1.00 0.00 H new ATOM 0 HA SER B 19 13.882 -8.739 1.605 1.00 0.00 H new ATOM 0 HB2 SER B 19 14.334 -10.627 0.104 1.00 0.00 H new ATOM 0 HB3 SER B 19 12.610 -10.314 0.113 1.00 0.00 H new ATOM 0 HG SER B 19 12.806 -9.193 -1.865 1.00 0.00 H new ATOM 613 N SER B 20 15.042 -6.876 -0.692 1.00 0.00 N ATOM 614 CA SER B 20 16.232 -6.202 -1.202 1.00 0.00 C ATOM 615 C SER B 20 16.852 -5.316 -0.125 1.00 0.00 C ATOM 616 O SER B 20 16.147 -4.753 0.712 1.00 0.00 O ATOM 617 CB SER B 20 15.873 -5.352 -2.420 1.00 0.00 C ATOM 618 OG SER B 20 15.009 -6.094 -3.269 1.00 0.00 O ATOM 0 H SER B 20 14.160 -6.435 -0.953 1.00 0.00 H new ATOM 0 HA SER B 20 16.957 -6.962 -1.493 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.387 -4.429 -2.104 1.00 0.00 H new ATOM 0 HB3 SER B 20 16.777 -5.068 -2.959 1.00 0.00 H new ATOM 0 HG SER B 20 14.774 -5.552 -4.051 1.00 0.00 H new TER 624 SER B 20 ATOM 625 N LYS C 1 18.175 -5.190 -0.156 1.00 0.00 N ATOM 626 CA LYS C 1 18.879 -4.359 0.814 1.00 0.00 C ATOM 627 C LYS C 1 18.865 -2.897 0.378 1.00 0.00 C ATOM 628 O LYS C 1 19.564 -2.060 0.950 1.00 0.00 O ATOM 629 CB LYS C 1 20.325 -4.836 0.961 1.00 0.00 C ATOM 630 CG LYS C 1 20.342 -6.220 1.614 1.00 0.00 C ATOM 631 CD LYS C 1 21.787 -6.699 1.757 1.00 0.00 C ATOM 632 CE LYS C 1 21.804 -8.075 2.425 1.00 0.00 C ATOM 633 NZ LYS C 1 23.213 -8.545 2.557 1.00 0.00 N ATOM 0 H3 LYS C 1 17.912 -6.093 0.287 1.00 0.00 H new ATOM 0 HA LYS C 1 18.370 -4.445 1.774 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.807 -4.877 -0.016 1.00 0.00 H new ATOM 0 HB3 LYS C 1 20.892 -4.129 1.567 1.00 0.00 H new ATOM 0 HG2 LYS C 1 19.863 -6.178 2.592 1.00 0.00 H new ATOM 0 HG3 LYS C 1 19.772 -6.926 1.010 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.262 -6.752 0.778 1.00 0.00 H new ATOM 0 HD3 LYS C 1 22.360 -5.987 2.351 1.00 0.00 H new ATOM 0 HE2 LYS C 1 21.334 -8.020 3.407 1.00 0.00 H new ATOM 0 HE3 LYS C 1 21.226 -8.785 1.834 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 23.226 -9.481 3.011 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 23.646 -8.612 1.614 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 23.751 -7.871 3.138 1.00 0.00 H new ATOM 647 N ASN C 2 18.064 -2.597 -0.639 1.00 0.00 N ATOM 648 CA ASN C 2 17.972 -1.236 -1.145 1.00 0.00 C ATOM 649 C ASN C 2 17.409 -0.304 -0.077 1.00 0.00 C ATOM 650 O ASN C 2 16.636 -0.721 0.785 1.00 0.00 O ATOM 651 CB ASN C 2 17.072 -1.201 -2.388 1.00 0.00 C ATOM 652 CG ASN C 2 15.695 -1.751 -2.046 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.514 -2.368 -0.996 1.00 0.00 O ATOM 654 ND2 ASN C 2 14.707 -1.573 -2.880 1.00 0.00 N ATOM 0 H ASN C 2 17.474 -3.273 -1.124 1.00 0.00 H new ATOM 0 HA ASN C 2 18.973 -0.898 -1.412 1.00 0.00 H new ATOM 0 HB2 ASN C 2 16.984 -0.179 -2.755 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.520 -1.790 -3.189 1.00 0.00 H new ATOM 0 HD21 ASN C 2 13.783 -1.945 -2.662 1.00 0.00 H new ATOM 0 HD22 ASN C 2 14.859 -1.062 -3.749 1.00 0.00 H new ATOM 661 N PRO C 3 17.771 0.948 -0.130 1.00 0.00 N ATOM 662 CA PRO C 3 17.294 1.972 0.848 1.00 0.00 C ATOM 663 C PRO C 3 15.779 2.154 0.793 1.00 0.00 C ATOM 664 O PRO C 3 15.172 2.663 1.732 1.00 0.00 O ATOM 665 CB PRO C 3 18.027 3.256 0.425 1.00 0.00 C ATOM 666 CG PRO C 3 18.433 3.026 -0.993 1.00 0.00 C ATOM 667 CD PRO C 3 18.687 1.535 -1.122 1.00 0.00 C ATOM 0 HA PRO C 3 17.504 1.685 1.878 1.00 0.00 H new ATOM 0 HB2 PRO C 3 17.378 4.127 0.512 1.00 0.00 H new ATOM 0 HB3 PRO C 3 18.895 3.441 1.058 1.00 0.00 H new ATOM 0 HG2 PRO C 3 17.650 3.349 -1.680 1.00 0.00 H new ATOM 0 HG3 PRO C 3 19.328 3.597 -1.239 1.00 0.00 H new ATOM 0 HD2 PRO C 3 18.473 1.176 -2.129 1.00 0.00 H new ATOM 0 HD3 PRO C 3 19.726 1.284 -0.908 1.00 0.00 H new ATOM 675 N GLU C 4 15.181 1.737 -0.315 1.00 0.00 N ATOM 676 CA GLU C 4 13.739 1.854 -0.489 1.00 0.00 C ATOM 677 C GLU C 4 13.013 0.965 0.520 1.00 0.00 C ATOM 678 O GLU C 4 11.802 1.074 0.701 1.00 0.00 O ATOM 679 CB GLU C 4 13.344 1.452 -1.907 1.00 0.00 C ATOM 680 CG GLU C 4 14.037 2.375 -2.909 1.00 0.00 C ATOM 681 CD GLU C 4 13.511 3.799 -2.761 1.00 0.00 C ATOM 682 OE1 GLU C 4 12.441 3.958 -2.198 1.00 0.00 O ATOM 683 OE2 GLU C 4 14.188 4.708 -3.211 1.00 0.00 O ATOM 0 H GLU C 4 15.670 1.316 -1.105 1.00 0.00 H new ATOM 0 HA GLU C 4 13.452 2.892 -0.321 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.626 0.416 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU C 4 12.262 1.514 -2.026 1.00 0.00 H new ATOM 0 HG2 GLU C 4 15.115 2.358 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU C 4 13.863 2.018 -3.924 1.00 0.00 H new ATOM 690 N ALA C 5 13.764 0.078 1.169 1.00 0.00 N ATOM 691 CA ALA C 5 13.186 -0.834 2.149 1.00 0.00 C ATOM 692 C ALA C 5 12.494 -0.047 3.258 1.00 0.00 C ATOM 693 O ALA C 5 11.582 -0.549 3.914 1.00 0.00 O ATOM 694 CB ALA C 5 14.277 -1.722 2.750 1.00 0.00 C ATOM 0 H ALA C 5 14.770 -0.027 1.034 1.00 0.00 H new ATOM 0 HA ALA C 5 12.450 -1.463 1.647 1.00 0.00 H new ATOM 0 HB1 ALA C 5 13.834 -2.399 3.480 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.751 -2.302 1.958 1.00 0.00 H new ATOM 0 HB3 ALA C 5 15.025 -1.098 3.240 1.00 0.00 H new ATOM 700 N GLU C 6 12.934 1.186 3.467 1.00 0.00 N ATOM 701 CA GLU C 6 12.347 2.034 4.499 1.00 0.00 C ATOM 702 C GLU C 6 10.861 2.259 4.224 1.00 0.00 C ATOM 703 O GLU C 6 10.048 2.296 5.145 1.00 0.00 O ATOM 704 CB GLU C 6 13.065 3.384 4.537 1.00 0.00 C ATOM 705 CG GLU C 6 14.480 3.195 5.082 1.00 0.00 C ATOM 706 CD GLU C 6 15.247 4.510 5.012 1.00 0.00 C ATOM 707 OE1 GLU C 6 16.362 4.550 5.506 1.00 0.00 O ATOM 708 OE2 GLU C 6 14.711 5.457 4.459 1.00 0.00 O ATOM 0 H GLU C 6 13.691 1.621 2.940 1.00 0.00 H new ATOM 0 HA GLU C 6 12.459 1.534 5.461 1.00 0.00 H new ATOM 0 HB2 GLU C 6 13.104 3.815 3.537 1.00 0.00 H new ATOM 0 HB3 GLU C 6 12.513 4.084 5.164 1.00 0.00 H new ATOM 0 HG2 GLU C 6 14.437 2.844 6.113 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.001 2.430 4.506 1.00 0.00 H new ATOM 715 N GLU C 7 10.513 2.395 2.945 1.00 0.00 N ATOM 716 CA GLU C 7 9.117 2.595 2.558 1.00 0.00 C ATOM 717 C GLU C 7 8.280 1.371 2.914 1.00 0.00 C ATOM 718 O GLU C 7 7.132 1.498 3.339 1.00 0.00 O ATOM 719 CB GLU C 7 9.025 2.877 1.057 1.00 0.00 C ATOM 720 CG GLU C 7 9.507 4.302 0.774 1.00 0.00 C ATOM 721 CD GLU C 7 8.529 5.304 1.387 1.00 0.00 C ATOM 722 OE1 GLU C 7 8.918 5.997 2.315 1.00 0.00 O ATOM 723 OE2 GLU C 7 7.410 5.378 0.905 1.00 0.00 O ATOM 0 H GLU C 7 11.171 2.371 2.166 1.00 0.00 H new ATOM 0 HA GLU C 7 8.725 3.452 3.106 1.00 0.00 H new ATOM 0 HB2 GLU C 7 9.632 2.160 0.504 1.00 0.00 H new ATOM 0 HB3 GLU C 7 7.997 2.755 0.716 1.00 0.00 H new ATOM 0 HG2 GLU C 7 10.503 4.449 1.191 1.00 0.00 H new ATOM 0 HG3 GLU C 7 9.584 4.464 -0.301 1.00 0.00 H new ATOM 730 N ILE C 8 8.863 0.190 2.740 1.00 0.00 N ATOM 731 CA ILE C 8 8.159 -1.050 3.052 1.00 0.00 C ATOM 732 C ILE C 8 7.801 -1.081 4.537 1.00 0.00 C ATOM 733 O ILE C 8 6.685 -1.449 4.902 1.00 0.00 O ATOM 734 CB ILE C 8 9.042 -2.254 2.696 1.00 0.00 C ATOM 735 CG1 ILE C 8 8.986 -2.498 1.188 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.540 -3.495 3.438 1.00 0.00 C ATOM 737 CD1 ILE C 8 9.358 -1.215 0.443 1.00 0.00 C ATOM 0 H ILE C 8 9.812 0.064 2.388 1.00 0.00 H new ATOM 0 HA ILE C 8 7.242 -1.100 2.466 1.00 0.00 H new ATOM 0 HB ILE C 8 10.071 -2.050 2.991 1.00 0.00 H new ATOM 0 HG12 ILE C 8 9.671 -3.300 0.914 1.00 0.00 H new ATOM 0 HG13 ILE C 8 7.986 -2.820 0.899 1.00 0.00 H new ATOM 0 HG21 ILE C 8 9.168 -4.349 3.184 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.584 -3.319 4.513 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.510 -3.702 3.146 1.00 0.00 H new ATOM 0 HD11 ILE C 8 9.317 -1.393 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.656 -0.424 0.707 1.00 0.00 H new ATOM 0 HD13 ILE C 8 10.367 -0.912 0.722 1.00 0.00 H new ATOM 749 N THR C 9 8.756 -0.701 5.383 1.00 0.00 N ATOM 750 CA THR C 9 8.525 -0.687 6.823 1.00 0.00 C ATOM 751 C THR C 9 7.390 0.283 7.149 1.00 0.00 C ATOM 752 O THR C 9 6.523 -0.010 7.972 1.00 0.00 O ATOM 753 CB THR C 9 9.798 -0.259 7.553 1.00 0.00 C ATOM 754 OG1 THR C 9 10.820 -1.209 7.304 1.00 0.00 O ATOM 755 CG2 THR C 9 9.521 -0.172 9.051 1.00 0.00 C ATOM 0 H THR C 9 9.689 -0.401 5.099 1.00 0.00 H new ATOM 0 HA THR C 9 8.250 -1.689 7.151 1.00 0.00 H new ATOM 0 HB THR C 9 10.119 0.719 7.193 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.639 -0.938 7.769 1.00 0.00 H new ATOM 0 HG21 THR C 9 10.429 0.133 9.572 1.00 0.00 H new ATOM 0 HG22 THR C 9 8.734 0.560 9.234 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.202 -1.147 9.419 1.00 0.00 H new ATOM 763 N ARG C 10 7.396 1.442 6.492 1.00 0.00 N ATOM 764 CA ARG C 10 6.356 2.440 6.711 1.00 0.00 C ATOM 765 C ARG C 10 4.997 1.866 6.297 1.00 0.00 C ATOM 766 O ARG C 10 3.984 2.101 6.954 1.00 0.00 O ATOM 767 CB ARG C 10 6.646 3.692 5.882 1.00 0.00 C ATOM 768 CG ARG C 10 5.712 4.821 6.319 1.00 0.00 C ATOM 769 CD ARG C 10 5.732 5.936 5.273 1.00 0.00 C ATOM 770 NE ARG C 10 7.101 6.370 5.026 1.00 0.00 N ATOM 771 CZ ARG C 10 7.707 7.230 5.835 1.00 0.00 C ATOM 772 NH1 ARG C 10 8.932 7.606 5.590 1.00 0.00 N ATOM 773 NH2 ARG C 10 7.079 7.695 6.880 1.00 0.00 N ATOM 0 H ARG C 10 8.105 1.710 5.809 1.00 0.00 H new ATOM 0 HA ARG C 10 6.338 2.704 7.768 1.00 0.00 H new ATOM 0 HB2 ARG C 10 7.685 3.994 6.012 1.00 0.00 H new ATOM 0 HB3 ARG C 10 6.506 3.480 4.822 1.00 0.00 H new ATOM 0 HG2 ARG C 10 4.698 4.441 6.441 1.00 0.00 H new ATOM 0 HG3 ARG C 10 6.025 5.211 7.287 1.00 0.00 H new ATOM 0 HD2 ARG C 10 5.282 5.582 4.345 1.00 0.00 H new ATOM 0 HD3 ARG C 10 5.132 6.778 5.617 1.00 0.00 H new ATOM 0 HE ARG C 10 7.603 6.006 4.216 1.00 0.00 H new ATOM 0 HH11 ARG C 10 9.425 7.239 4.776 1.00 0.00 H new ATOM 0 HH12 ARG C 10 9.397 8.267 6.212 1.00 0.00 H new ATOM 0 HH21 ARG C 10 6.123 7.397 7.075 1.00 0.00 H new ATOM 0 HH22 ARG C 10 7.544 8.356 7.502 1.00 0.00 H new ATOM 787 N CYS C 11 4.980 1.115 5.196 1.00 0.00 N ATOM 788 CA CYS C 11 3.740 0.517 4.709 1.00 0.00 C ATOM 789 C CYS C 11 3.085 -0.316 5.809 1.00 0.00 C ATOM 790 O CYS C 11 1.889 -0.191 6.067 1.00 0.00 O ATOM 791 CB CYS C 11 4.035 -0.375 3.501 1.00 0.00 C ATOM 792 SG CYS C 11 2.503 -0.664 2.578 1.00 0.00 S ATOM 0 H CYS C 11 5.803 0.908 4.630 1.00 0.00 H new ATOM 0 HA CYS C 11 3.059 1.316 4.415 1.00 0.00 H new ATOM 0 HB2 CYS C 11 4.776 0.099 2.858 1.00 0.00 H new ATOM 0 HB3 CYS C 11 4.459 -1.324 3.830 1.00 0.00 H new ATOM 797 N LYS C 12 3.880 -1.166 6.458 1.00 0.00 N ATOM 798 CA LYS C 12 3.367 -2.013 7.530 1.00 0.00 C ATOM 799 C LYS C 12 2.838 -1.151 8.676 1.00 0.00 C ATOM 800 O LYS C 12 1.773 -1.420 9.228 1.00 0.00 O ATOM 801 CB LYS C 12 4.472 -2.934 8.043 1.00 0.00 C ATOM 802 CG LYS C 12 3.897 -3.886 9.092 1.00 0.00 C ATOM 803 CD LYS C 12 4.995 -4.832 9.579 1.00 0.00 C ATOM 804 CE LYS C 12 4.418 -5.793 10.619 1.00 0.00 C ATOM 805 NZ LYS C 12 5.492 -6.705 11.104 1.00 0.00 N ATOM 0 H LYS C 12 4.874 -1.285 6.261 1.00 0.00 H new ATOM 0 HA LYS C 12 2.551 -2.619 7.137 1.00 0.00 H new ATOM 0 HB2 LYS C 12 4.899 -3.502 7.217 1.00 0.00 H new ATOM 0 HB3 LYS C 12 5.280 -2.344 8.476 1.00 0.00 H new ATOM 0 HG2 LYS C 12 3.493 -3.319 9.930 1.00 0.00 H new ATOM 0 HG3 LYS C 12 3.072 -4.458 8.667 1.00 0.00 H new ATOM 0 HD2 LYS C 12 5.405 -5.392 8.739 1.00 0.00 H new ATOM 0 HD3 LYS C 12 5.816 -4.261 10.012 1.00 0.00 H new ATOM 0 HE2 LYS C 12 3.998 -5.232 11.454 1.00 0.00 H new ATOM 0 HE3 LYS C 12 3.604 -6.372 10.182 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 5.099 -7.359 11.811 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 5.873 -7.249 10.304 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 6.254 -6.145 11.536 1.00 0.00 H new ATOM 819 N LYS C 13 3.592 -0.112 9.024 1.00 0.00 N ATOM 820 CA LYS C 13 3.184 0.784 10.094 1.00 0.00 C ATOM 821 C LYS C 13 1.873 1.478 9.732 1.00 0.00 C ATOM 822 O LYS C 13 0.987 1.634 10.575 1.00 0.00 O ATOM 823 CB LYS C 13 4.270 1.835 10.343 1.00 0.00 C ATOM 824 CG LYS C 13 3.847 2.761 11.487 1.00 0.00 C ATOM 825 CD LYS C 13 3.746 1.959 12.788 1.00 0.00 C ATOM 826 CE LYS C 13 3.768 2.913 13.978 1.00 0.00 C ATOM 827 NZ LYS C 13 2.629 3.868 13.874 1.00 0.00 N ATOM 0 H LYS C 13 4.480 0.126 8.583 1.00 0.00 H new ATOM 0 HA LYS C 13 3.037 0.197 11.001 1.00 0.00 H new ATOM 0 HB2 LYS C 13 5.212 1.346 10.589 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.440 2.416 9.437 1.00 0.00 H new ATOM 0 HG2 LYS C 13 4.570 3.568 11.601 1.00 0.00 H new ATOM 0 HG3 LYS C 13 2.887 3.223 11.258 1.00 0.00 H new ATOM 0 HD2 LYS C 13 2.827 1.373 12.796 1.00 0.00 H new ATOM 0 HD3 LYS C 13 4.574 1.254 12.858 1.00 0.00 H new ATOM 0 HE2 LYS C 13 3.700 2.351 14.909 1.00 0.00 H new ATOM 0 HE3 LYS C 13 4.712 3.458 14.003 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 2.468 4.318 14.798 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 2.851 4.598 13.167 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 1.772 3.356 13.584 1.00 0.00 H new ATOM 841 N LEU C 14 1.760 1.909 8.481 1.00 0.00 N ATOM 842 CA LEU C 14 0.554 2.598 8.027 1.00 0.00 C ATOM 843 C LEU C 14 -0.653 1.677 8.125 1.00 0.00 C ATOM 844 O LEU C 14 -1.727 2.092 8.552 1.00 0.00 O ATOM 845 CB LEU C 14 0.741 3.043 6.576 1.00 0.00 C ATOM 846 CG LEU C 14 1.759 4.188 6.517 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.286 4.333 5.084 1.00 0.00 C ATOM 848 CD2 LEU C 14 1.079 5.501 6.934 1.00 0.00 C ATOM 0 H LEU C 14 2.480 1.796 7.768 1.00 0.00 H new ATOM 0 HA LEU C 14 0.383 3.467 8.662 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.085 2.205 5.969 1.00 0.00 H new ATOM 0 HB3 LEU C 14 -0.212 3.368 6.159 1.00 0.00 H new ATOM 0 HG LEU C 14 2.585 3.969 7.193 1.00 0.00 H new ATOM 0 HD11 LEU C 14 3.010 5.147 5.043 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.767 3.404 4.778 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.456 4.551 4.412 1.00 0.00 H new ATOM 0 HD21 LEU C 14 1.803 6.315 6.892 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.253 5.715 6.255 1.00 0.00 H new ATOM 0 HD23 LEU C 14 0.698 5.406 7.951 1.00 0.00 H new ATOM 860 N LEU C 15 -0.463 0.417 7.738 1.00 0.00 N ATOM 861 CA LEU C 15 -1.541 -0.564 7.804 1.00 0.00 C ATOM 862 C LEU C 15 -1.945 -0.822 9.253 1.00 0.00 C ATOM 863 O LEU C 15 -3.124 -0.969 9.566 1.00 0.00 O ATOM 864 CB LEU C 15 -1.098 -1.871 7.151 1.00 0.00 C ATOM 865 CG LEU C 15 -0.959 -1.664 5.642 1.00 0.00 C ATOM 866 CD1 LEU C 15 -0.272 -2.881 5.020 1.00 0.00 C ATOM 867 CD2 LEU C 15 -2.352 -1.488 5.013 1.00 0.00 C ATOM 0 H LEU C 15 0.420 0.055 7.379 1.00 0.00 H new ATOM 0 HA LEU C 15 -2.402 -0.166 7.267 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -0.148 -2.197 7.573 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -1.825 -2.657 7.356 1.00 0.00 H new ATOM 0 HG LEU C 15 -0.361 -0.772 5.455 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -0.173 -2.733 3.945 1.00 0.00 H new ATOM 0 HD12 LEU C 15 0.717 -3.006 5.461 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -0.869 -3.773 5.210 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -2.250 -1.341 3.938 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -2.952 -2.378 5.202 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.843 -0.620 5.453 1.00 0.00 H new ATOM 879 N ASP C 16 -0.954 -0.873 10.136 1.00 0.00 N ATOM 880 CA ASP C 16 -1.209 -1.109 11.553 1.00 0.00 C ATOM 881 C ASP C 16 -2.065 0.012 12.135 1.00 0.00 C ATOM 882 O ASP C 16 -2.926 -0.224 12.979 1.00 0.00 O ATOM 883 CB ASP C 16 0.109 -1.202 12.318 1.00 0.00 C ATOM 884 CG ASP C 16 0.815 -2.512 11.986 1.00 0.00 C ATOM 885 OD1 ASP C 16 0.176 -3.378 11.411 1.00 0.00 O ATOM 886 OD2 ASP C 16 1.984 -2.631 12.313 1.00 0.00 O ATOM 0 H ASP C 16 0.031 -0.755 9.897 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.747 -2.052 11.653 1.00 0.00 H new ATOM 0 HB2 ASP C 16 0.749 -0.359 12.059 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -0.079 -1.142 13.390 1.00 0.00 H new ATOM 891 N ASP C 17 -1.821 1.232 11.673 1.00 0.00 N ATOM 892 CA ASP C 17 -2.571 2.389 12.150 1.00 0.00 C ATOM 893 C ASP C 17 -4.046 2.250 11.793 1.00 0.00 C ATOM 894 O ASP C 17 -4.879 3.040 12.233 1.00 0.00 O ATOM 895 CB ASP C 17 -2.011 3.672 11.531 1.00 0.00 C ATOM 896 CG ASP C 17 -0.651 3.993 12.141 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.048 4.815 11.576 1.00 0.00 O ATOM 898 OD2 ASP C 17 -0.332 3.416 13.168 1.00 0.00 O ATOM 0 H ASP C 17 -1.113 1.446 10.971 1.00 0.00 H new ATOM 0 HA ASP C 17 -2.472 2.441 13.234 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.916 3.554 10.452 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -2.700 4.499 11.702 1.00 0.00 H new ATOM 903 N SER C 18 -4.364 1.246 10.985 1.00 0.00 N ATOM 904 CA SER C 18 -5.740 1.021 10.563 1.00 0.00 C ATOM 905 C SER C 18 -6.652 0.866 11.773 1.00 0.00 C ATOM 906 O SER C 18 -7.814 1.277 11.740 1.00 0.00 O ATOM 907 CB SER C 18 -5.823 -0.239 9.698 1.00 0.00 C ATOM 908 OG SER C 18 -7.166 -0.430 9.272 1.00 0.00 O ATOM 0 H SER C 18 -3.691 0.578 10.610 1.00 0.00 H new ATOM 0 HA SER C 18 -6.066 1.884 9.982 1.00 0.00 H new ATOM 0 HB2 SER C 18 -5.165 -0.145 8.834 1.00 0.00 H new ATOM 0 HB3 SER C 18 -5.482 -1.106 10.264 1.00 0.00 H new ATOM 0 HG SER C 18 -7.630 0.433 9.255 1.00 0.00 H new ATOM 914 N SER C 19 -6.124 0.281 12.833 1.00 0.00 N ATOM 915 CA SER C 19 -6.904 0.081 14.051 1.00 0.00 C ATOM 916 C SER C 19 -6.986 1.374 14.858 1.00 0.00 C ATOM 917 O SER C 19 -7.767 1.481 15.802 1.00 0.00 O ATOM 918 CB SER C 19 -6.263 -1.012 14.909 1.00 0.00 C ATOM 919 OG SER C 19 -5.006 -0.553 15.392 1.00 0.00 O ATOM 0 H SER C 19 -5.165 -0.064 12.880 1.00 0.00 H new ATOM 0 HA SER C 19 -7.911 -0.221 13.765 1.00 0.00 H new ATOM 0 HB2 SER C 19 -6.916 -1.265 15.744 1.00 0.00 H new ATOM 0 HB3 SER C 19 -6.130 -1.921 14.322 1.00 0.00 H new ATOM 0 HG SER C 19 -4.368 -0.505 14.650 1.00 0.00 H new ATOM 925 N SER C 20 -6.181 2.355 14.471 1.00 0.00 N ATOM 926 CA SER C 20 -6.174 3.644 15.156 1.00 0.00 C ATOM 927 C SER C 20 -7.334 4.512 14.680 1.00 0.00 C ATOM 928 O SER C 20 -7.784 4.397 13.539 1.00 0.00 O ATOM 929 CB SER C 20 -4.854 4.368 14.901 1.00 0.00 C ATOM 930 OG SER C 20 -3.782 3.442 15.022 1.00 0.00 O ATOM 0 H SER C 20 -5.527 2.285 13.691 1.00 0.00 H new ATOM 0 HA SER C 20 -6.286 3.463 16.225 1.00 0.00 H new ATOM 0 HB2 SER C 20 -4.856 4.813 13.906 1.00 0.00 H new ATOM 0 HB3 SER C 20 -4.729 5.183 15.614 1.00 0.00 H new ATOM 0 HG SER C 20 -2.932 3.902 14.857 1.00 0.00 H new TER 936 SER C 20 HETATM 937 C1 ZBR A 100 0.613 0.268 -1.813 1.00 0.00 C HETATM 938 C2 ZBR A 100 -0.644 0.700 -1.351 1.00 0.00 C HETATM 939 C3 ZBR A 100 -0.798 1.111 -0.014 1.00 0.00 C HETATM 940 C4 ZBR A 100 0.306 1.093 0.861 1.00 0.00 C HETATM 941 C5 ZBR A 100 1.561 0.660 0.397 1.00 0.00 C HETATM 942 C6 ZBR A 100 1.716 0.245 -0.938 1.00 0.00 C HETATM 943 C7 ZBR A 100 0.771 -0.193 -3.239 1.00 0.00 C HETATM 944 C8 ZBR A 100 -2.149 1.551 0.485 1.00 0.00 C HETATM 945 C9 ZBR A 100 2.742 0.632 1.338 1.00 0.00 C HETATM 0 H6 ZBR A 100 2.689 -0.094 -1.295 1.00 0.00 H new HETATM 0 H4 ZBR A 100 0.188 1.414 1.896 1.00 0.00 H new HETATM 0 H2 ZBR A 100 -1.498 0.716 -2.028 1.00 0.00 H new