USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 MET CE :methyl 168:sc= -3.33! (180deg=-4.4!) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= -0.179 USER MOD Set 2.1: A 20 THR OG1 : rot -115:sc= 0.306 USER MOD Set 2.2: A 23 CYS SG : rot 160:sc= -0.249 USER MOD Single : A 1 MET CE :methyl 169:sc= -2.77 (180deg=-3.21) USER MOD Single : A 1 MET N :NH3+ 175:sc=-0.00231 (180deg=-0.0257) USER MOD Single : A 5 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.28) USER MOD Single : A 8 GLN : amide:sc= -1.22 K(o=-1.2,f=-4!) USER MOD Single : A 9 SER OG : rot 87:sc= 0.0759 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0.814 K(o=0.81,f=-3.4!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.183 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.477 USER MOD Single : A 59 THR OG1 : rot -150:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.148 K(o=-0.15,f=-3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -42:sc= 1.09 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.029 7.707 -6.284 1.00 0.00 N ATOM 2 CA MET A 1 -4.680 6.497 -5.718 1.00 0.00 C ATOM 3 C MET A 1 -4.810 6.602 -4.202 1.00 0.00 C ATOM 4 O MET A 1 -4.648 7.678 -3.628 1.00 0.00 O ATOM 5 CB MET A 1 -3.844 5.272 -6.097 1.00 0.00 C ATOM 6 CG MET A 1 -4.673 4.108 -6.616 1.00 0.00 C ATOM 7 SD MET A 1 -3.683 2.634 -6.927 1.00 0.00 S ATOM 8 CE MET A 1 -2.703 3.175 -8.325 1.00 0.00 C ATOM 0 H1 MET A 1 -3.876 7.574 -7.304 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.640 8.534 -6.130 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.114 7.861 -5.814 1.00 0.00 H new ATOM 0 HA MET A 1 -5.686 6.404 -6.127 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.118 5.559 -6.858 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.278 4.944 -5.225 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.453 3.871 -5.892 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.173 4.406 -7.537 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.908 2.454 -8.513 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.339 3.252 -9.207 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.265 4.149 -8.107 1.00 0.00 H new ATOM 20 N ARG A 2 -5.106 5.477 -3.558 1.00 0.00 N ATOM 21 CA ARG A 2 -5.259 5.445 -2.108 1.00 0.00 C ATOM 22 C ARG A 2 -4.618 4.194 -1.516 1.00 0.00 C ATOM 23 O ARG A 2 -4.603 3.136 -2.143 1.00 0.00 O ATOM 24 CB ARG A 2 -6.740 5.497 -1.730 1.00 0.00 C ATOM 25 CG ARG A 2 -7.502 6.630 -2.400 1.00 0.00 C ATOM 26 CD ARG A 2 -9.001 6.382 -2.375 1.00 0.00 C ATOM 27 NE ARG A 2 -9.736 7.397 -3.127 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.981 7.233 -3.570 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.634 6.101 -3.337 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.576 8.205 -4.247 1.00 0.00 N ATOM 0 H ARG A 2 -5.244 4.577 -4.017 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.752 6.319 -1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.207 4.549 -1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.826 5.602 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.279 7.569 -1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.166 6.736 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.213 5.397 -2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.350 6.372 -1.342 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.268 8.282 -3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.182 5.350 -2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.587 5.982 -3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.080 9.078 -4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.530 8.080 -4.587 1.00 0.00 H new ATOM 44 N ILE A 3 -4.095 4.324 -0.299 1.00 0.00 N ATOM 45 CA ILE A 3 -3.453 3.210 0.394 1.00 0.00 C ATOM 46 C ILE A 3 -4.290 1.936 0.307 1.00 0.00 C ATOM 47 O ILE A 3 -3.756 0.828 0.343 1.00 0.00 O ATOM 48 CB ILE A 3 -3.193 3.553 1.874 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.387 2.434 2.545 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.506 3.817 2.606 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.211 1.238 2.980 1.00 0.00 C ATOM 0 H ILE A 3 -4.104 5.196 0.230 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.500 3.035 -0.105 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.602 4.468 1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.615 2.095 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.877 2.844 3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.299 4.057 3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.022 4.654 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.135 2.928 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.560 0.497 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.966 1.558 3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.700 0.798 2.111 1.00 0.00 H new ATOM 63 N ASP A 4 -5.602 2.100 0.192 1.00 0.00 N ATOM 64 CA ASP A 4 -6.504 0.961 0.101 1.00 0.00 C ATOM 65 C ASP A 4 -6.280 0.187 -1.196 1.00 0.00 C ATOM 66 O ASP A 4 -6.039 -1.016 -1.173 1.00 0.00 O ATOM 67 CB ASP A 4 -7.960 1.425 0.191 1.00 0.00 C ATOM 68 CG ASP A 4 -8.593 1.083 1.525 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.029 1.476 2.569 1.00 0.00 O ATOM 70 OD2 ASP A 4 -9.653 0.422 1.527 1.00 0.00 O ATOM 0 H ASP A 4 -6.063 3.009 0.160 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.292 0.296 0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.005 2.503 0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.536 0.963 -0.611 1.00 0.00 H new ATOM 75 N LYS A 5 -6.373 0.882 -2.324 1.00 0.00 N ATOM 76 CA LYS A 5 -6.191 0.252 -3.629 1.00 0.00 C ATOM 77 C LYS A 5 -4.734 0.296 -4.098 1.00 0.00 C ATOM 78 O LYS A 5 -4.405 -0.253 -5.150 1.00 0.00 O ATOM 79 CB LYS A 5 -7.085 0.934 -4.667 1.00 0.00 C ATOM 80 CG LYS A 5 -7.644 -0.021 -5.710 1.00 0.00 C ATOM 81 CD LYS A 5 -9.163 -0.076 -5.662 1.00 0.00 C ATOM 82 CE LYS A 5 -9.760 -0.195 -7.054 1.00 0.00 C ATOM 83 NZ LYS A 5 -9.922 -1.616 -7.470 1.00 0.00 N ATOM 0 H LYS A 5 -6.573 1.881 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.472 -0.796 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.913 1.425 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.514 1.714 -5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.322 0.294 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.238 -1.019 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.478 -0.925 -5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.546 0.822 -5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.730 0.303 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.120 0.322 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.605 -1.673 -8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.005 -1.993 -7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.270 -2.176 -6.665 1.00 0.00 H new ATOM 97 N PHE A 6 -3.868 0.962 -3.340 1.00 0.00 N ATOM 98 CA PHE A 6 -2.463 1.078 -3.724 1.00 0.00 C ATOM 99 C PHE A 6 -1.675 -0.199 -3.441 1.00 0.00 C ATOM 100 O PHE A 6 -1.186 -0.851 -4.364 1.00 0.00 O ATOM 101 CB PHE A 6 -1.806 2.258 -3.006 1.00 0.00 C ATOM 102 CG PHE A 6 -0.627 2.819 -3.748 1.00 0.00 C ATOM 103 CD1 PHE A 6 -0.808 3.519 -4.931 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.660 2.644 -3.268 1.00 0.00 C ATOM 105 CE1 PHE A 6 0.273 4.033 -5.620 1.00 0.00 C ATOM 106 CE2 PHE A 6 1.745 3.157 -3.953 1.00 0.00 C ATOM 107 CZ PHE A 6 1.551 3.853 -5.131 1.00 0.00 C ATOM 0 H PHE A 6 -4.110 1.426 -2.464 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.444 1.247 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.546 3.046 -2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.485 1.939 -2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.806 3.664 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.818 2.101 -2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.118 4.576 -6.541 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.744 3.014 -3.568 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.398 4.255 -5.668 1.00 0.00 H new ATOM 117 N LEU A 7 -1.530 -0.540 -2.164 1.00 0.00 N ATOM 118 CA LEU A 7 -0.773 -1.727 -1.777 1.00 0.00 C ATOM 119 C LEU A 7 -1.606 -3.000 -1.902 1.00 0.00 C ATOM 120 O LEU A 7 -1.067 -4.106 -1.868 1.00 0.00 O ATOM 121 CB LEU A 7 -0.246 -1.576 -0.348 1.00 0.00 C ATOM 122 CG LEU A 7 -1.310 -1.368 0.731 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.917 -2.699 1.152 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.708 -0.652 1.931 1.00 0.00 C ATOM 0 H LEU A 7 -1.924 -0.015 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 7 0.069 -1.818 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.331 -2.466 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.443 -0.732 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.105 -0.748 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.671 -2.528 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.380 -3.177 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.135 -3.346 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.475 -0.510 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.105 -1.251 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.322 0.318 1.619 1.00 0.00 H new ATOM 136 N GLN A 8 -2.916 -2.845 -2.049 1.00 0.00 N ATOM 137 CA GLN A 8 -3.807 -3.990 -2.183 1.00 0.00 C ATOM 138 C GLN A 8 -3.981 -4.386 -3.649 1.00 0.00 C ATOM 139 O GLN A 8 -4.461 -5.478 -3.953 1.00 0.00 O ATOM 140 CB GLN A 8 -5.165 -3.672 -1.563 1.00 0.00 C ATOM 141 CG GLN A 8 -5.084 -3.255 -0.102 1.00 0.00 C ATOM 142 CD GLN A 8 -6.448 -3.159 0.553 1.00 0.00 C ATOM 143 OE1 GLN A 8 -6.835 -2.105 1.057 1.00 0.00 O ATOM 144 NE2 GLN A 8 -7.185 -4.264 0.550 1.00 0.00 N ATOM 0 H GLN A 8 -3.384 -1.939 -2.078 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.358 -4.832 -1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.638 -2.874 -2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.808 -4.548 -1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.473 -3.974 0.444 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.582 -2.290 -0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.825 -5.116 0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.111 -4.260 0.977 1.00 0.00 H new ATOM 153 N SER A 9 -3.590 -3.491 -4.553 1.00 0.00 N ATOM 154 CA SER A 9 -3.703 -3.749 -5.986 1.00 0.00 C ATOM 155 C SER A 9 -2.397 -4.306 -6.543 1.00 0.00 C ATOM 156 O SER A 9 -2.399 -5.251 -7.331 1.00 0.00 O ATOM 157 CB SER A 9 -4.078 -2.465 -6.727 1.00 0.00 C ATOM 158 OG SER A 9 -4.097 -2.671 -8.128 1.00 0.00 O ATOM 0 H SER A 9 -3.192 -2.581 -4.319 1.00 0.00 H new ATOM 0 HA SER A 9 -4.487 -4.491 -6.136 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.057 -2.122 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.364 -1.678 -6.482 1.00 0.00 H new ATOM 0 HG SER A 9 -4.977 -3.007 -8.397 1.00 0.00 H new ATOM 164 N VAL A 10 -1.282 -3.712 -6.127 1.00 0.00 N ATOM 165 CA VAL A 10 0.033 -4.147 -6.584 1.00 0.00 C ATOM 166 C VAL A 10 0.257 -5.628 -6.294 1.00 0.00 C ATOM 167 O VAL A 10 1.067 -6.283 -6.951 1.00 0.00 O ATOM 168 CB VAL A 10 1.157 -3.331 -5.917 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.091 -1.876 -6.353 1.00 0.00 C ATOM 170 CG2 VAL A 10 1.073 -3.447 -4.403 1.00 0.00 C ATOM 0 H VAL A 10 -1.263 -2.928 -5.474 1.00 0.00 H new ATOM 0 HA VAL A 10 0.062 -3.983 -7.661 1.00 0.00 H new ATOM 0 HB VAL A 10 2.116 -3.738 -6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.892 -1.315 -5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.205 -1.815 -7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.129 -1.453 -6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.874 -2.865 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.110 -3.067 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.174 -4.493 -4.112 1.00 0.00 H new ATOM 180 N GLY A 11 -0.462 -6.151 -5.305 1.00 0.00 N ATOM 181 CA GLY A 11 -0.322 -7.548 -4.945 1.00 0.00 C ATOM 182 C GLY A 11 0.487 -7.740 -3.679 1.00 0.00 C ATOM 183 O GLY A 11 1.115 -8.782 -3.486 1.00 0.00 O ATOM 0 H GLY A 11 -1.139 -5.631 -4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.311 -7.987 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.157 -8.085 -5.764 1.00 0.00 H new ATOM 187 N LEU A 12 0.474 -6.731 -2.814 1.00 0.00 N ATOM 188 CA LEU A 12 1.213 -6.789 -1.559 1.00 0.00 C ATOM 189 C LEU A 12 0.446 -7.593 -0.513 1.00 0.00 C ATOM 190 O LEU A 12 1.014 -8.449 0.165 1.00 0.00 O ATOM 191 CB LEU A 12 1.490 -5.376 -1.039 1.00 0.00 C ATOM 192 CG LEU A 12 2.961 -5.066 -0.760 1.00 0.00 C ATOM 193 CD1 LEU A 12 3.156 -3.577 -0.520 1.00 0.00 C ATOM 194 CD2 LEU A 12 3.456 -5.870 0.433 1.00 0.00 C ATOM 0 H LEU A 12 -0.041 -5.863 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 12 2.163 -7.289 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.115 -4.657 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.922 -5.225 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 12 3.546 -5.351 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.209 -3.375 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.839 -3.022 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.560 -3.266 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.505 -5.638 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.867 -5.615 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.352 -6.934 0.223 1.00 0.00 H new ATOM 206 N VAL A 13 -0.847 -7.312 -0.387 1.00 0.00 N ATOM 207 CA VAL A 13 -1.686 -8.012 0.579 1.00 0.00 C ATOM 208 C VAL A 13 -2.565 -9.052 -0.107 1.00 0.00 C ATOM 209 O VAL A 13 -2.838 -8.958 -1.303 1.00 0.00 O ATOM 210 CB VAL A 13 -2.583 -7.035 1.358 1.00 0.00 C ATOM 211 CG1 VAL A 13 -1.743 -6.120 2.236 1.00 0.00 C ATOM 212 CG2 VAL A 13 -3.445 -6.224 0.404 1.00 0.00 C ATOM 0 H VAL A 13 -1.335 -6.607 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.013 -8.511 1.277 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.242 -7.615 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.396 -5.436 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.174 -6.719 2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.056 -5.547 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.073 -5.539 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.805 -5.655 -0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.076 -6.896 -0.177 1.00 0.00 H new ATOM 337 N THR A 20 -12.652 -3.304 3.028 1.00 0.00 N ATOM 338 CA THR A 20 -11.298 -3.143 3.547 1.00 0.00 C ATOM 339 C THR A 20 -11.193 -3.675 4.973 1.00 0.00 C ATOM 340 O THR A 20 -12.196 -4.040 5.587 1.00 0.00 O ATOM 341 CB THR A 20 -10.886 -1.670 3.507 1.00 0.00 C ATOM 342 OG1 THR A 20 -9.740 -1.445 4.310 1.00 0.00 O ATOM 343 CG2 THR A 20 -11.971 -0.727 3.984 1.00 0.00 C ATOM 0 HA THR A 20 -10.623 -3.719 2.914 1.00 0.00 H new ATOM 0 HB THR A 20 -10.681 -1.460 2.457 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.977 -0.863 5.062 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.610 0.300 3.929 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.852 -0.837 3.352 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.232 -0.965 5.015 1.00 0.00 H new ATOM 351 N ASP A 21 -9.970 -3.718 5.494 1.00 0.00 N ATOM 352 CA ASP A 21 -9.731 -4.206 6.848 1.00 0.00 C ATOM 353 C ASP A 21 -8.494 -3.550 7.455 1.00 0.00 C ATOM 354 O ASP A 21 -8.497 -3.157 8.621 1.00 0.00 O ATOM 355 CB ASP A 21 -9.563 -5.727 6.842 1.00 0.00 C ATOM 356 CG ASP A 21 -10.864 -6.451 6.553 1.00 0.00 C ATOM 357 OD1 ASP A 21 -11.802 -6.335 7.370 1.00 0.00 O ATOM 358 OD2 ASP A 21 -10.944 -7.133 5.510 1.00 0.00 O ATOM 0 H ASP A 21 -9.129 -3.421 4.999 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.595 -3.944 7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.821 -6.005 6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.177 -6.051 7.808 1.00 0.00 H new ATOM 363 N MET A 22 -7.434 -3.439 6.658 1.00 0.00 N ATOM 364 CA MET A 22 -6.185 -2.834 7.112 1.00 0.00 C ATOM 365 C MET A 22 -6.438 -1.511 7.832 1.00 0.00 C ATOM 366 O MET A 22 -5.782 -1.198 8.827 1.00 0.00 O ATOM 367 CB MET A 22 -5.244 -2.608 5.928 1.00 0.00 C ATOM 368 CG MET A 22 -4.367 -3.807 5.608 1.00 0.00 C ATOM 369 SD MET A 22 -2.895 -3.360 4.669 1.00 0.00 S ATOM 370 CE MET A 22 -1.834 -4.761 5.014 1.00 0.00 C ATOM 0 H MET A 22 -7.416 -3.762 5.691 1.00 0.00 H new ATOM 0 HA MET A 22 -5.719 -3.523 7.817 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.836 -2.356 5.048 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.607 -1.749 6.140 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.067 -4.291 6.537 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.947 -4.536 5.042 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.976 -4.741 4.342 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.488 -4.710 6.046 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.392 -5.685 4.863 1.00 0.00 H new ATOM 380 N CYS A 23 -7.391 -0.738 7.322 1.00 0.00 N ATOM 381 CA CYS A 23 -7.727 0.552 7.917 1.00 0.00 C ATOM 382 C CYS A 23 -8.275 0.378 9.331 1.00 0.00 C ATOM 383 O CYS A 23 -8.170 1.280 10.162 1.00 0.00 O ATOM 384 CB CYS A 23 -8.751 1.285 7.048 1.00 0.00 C ATOM 385 SG CYS A 23 -10.354 0.456 6.937 1.00 0.00 S ATOM 0 H CYS A 23 -7.944 -0.981 6.500 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.814 1.145 7.973 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.900 2.288 7.448 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.343 1.400 6.044 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.260 1.311 6.563 1.00 0.00 H new ATOM 391 N ASN A 24 -8.860 -0.786 9.598 1.00 0.00 N ATOM 392 CA ASN A 24 -9.424 -1.073 10.912 1.00 0.00 C ATOM 393 C ASN A 24 -8.367 -1.648 11.849 1.00 0.00 C ATOM 394 O ASN A 24 -8.158 -1.140 12.951 1.00 0.00 O ATOM 395 CB ASN A 24 -10.596 -2.050 10.783 1.00 0.00 C ATOM 396 CG ASN A 24 -11.793 -1.628 11.611 1.00 0.00 C ATOM 397 OD1 ASN A 24 -12.792 -1.143 11.078 1.00 0.00 O ATOM 398 ND2 ASN A 24 -11.700 -1.811 12.924 1.00 0.00 N ATOM 0 H ASN A 24 -8.956 -1.544 8.923 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.784 -0.136 11.337 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.890 -2.125 9.736 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.274 -3.043 11.095 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.475 -1.546 13.532 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.854 -2.216 13.324 1.00 0.00 H new ATOM 405 N VAL A 25 -7.706 -2.713 11.407 1.00 0.00 N ATOM 406 CA VAL A 25 -6.673 -3.361 12.207 1.00 0.00 C ATOM 407 C VAL A 25 -5.566 -2.379 12.581 1.00 0.00 C ATOM 408 O VAL A 25 -4.939 -2.506 13.633 1.00 0.00 O ATOM 409 CB VAL A 25 -6.055 -4.560 11.464 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.115 -5.611 11.172 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.378 -4.106 10.179 1.00 0.00 C ATOM 0 H VAL A 25 -7.868 -3.146 10.498 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.157 -3.719 13.116 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.297 -5.008 12.107 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.660 -6.451 10.647 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.548 -5.961 12.109 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.898 -5.176 10.551 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.948 -4.969 9.670 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.112 -3.630 9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.588 -3.394 10.416 1.00 0.00 H new ATOM 421 N GLY A 26 -5.330 -1.402 11.711 1.00 0.00 N ATOM 422 CA GLY A 26 -4.299 -0.414 11.967 1.00 0.00 C ATOM 423 C GLY A 26 -3.112 -0.558 11.035 1.00 0.00 C ATOM 424 O GLY A 26 -1.991 -0.186 11.384 1.00 0.00 O ATOM 0 H GLY A 26 -5.835 -1.277 10.833 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.722 0.585 11.859 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.960 -0.507 12.999 1.00 0.00 H new ATOM 428 N ALA A 27 -3.358 -1.100 9.847 1.00 0.00 N ATOM 429 CA ALA A 27 -2.301 -1.292 8.861 1.00 0.00 C ATOM 430 C ALA A 27 -2.297 -0.165 7.834 1.00 0.00 C ATOM 431 O ALA A 27 -1.918 -0.365 6.679 1.00 0.00 O ATOM 432 CB ALA A 27 -2.465 -2.637 8.169 1.00 0.00 C ATOM 0 H ALA A 27 -4.280 -1.414 9.544 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.344 -1.277 9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.670 -2.768 7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.411 -3.436 8.909 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.432 -2.672 7.666 1.00 0.00 H new ATOM 438 N VAL A 28 -2.723 1.020 8.260 1.00 0.00 N ATOM 439 CA VAL A 28 -2.769 2.179 7.377 1.00 0.00 C ATOM 440 C VAL A 28 -2.178 3.410 8.055 1.00 0.00 C ATOM 441 O VAL A 28 -2.784 3.985 8.958 1.00 0.00 O ATOM 442 CB VAL A 28 -4.212 2.491 6.939 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.228 3.608 5.906 1.00 0.00 C ATOM 444 CG2 VAL A 28 -4.887 1.242 6.395 1.00 0.00 C ATOM 0 H VAL A 28 -3.041 1.202 9.212 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.174 1.932 6.497 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.772 2.827 7.812 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.256 3.814 5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.787 4.507 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.652 3.304 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.906 1.482 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.329 0.872 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.911 0.475 7.169 1.00 0.00 H new ATOM 454 N TRP A 29 -0.992 3.809 7.609 1.00 0.00 N ATOM 455 CA TRP A 29 -0.316 4.973 8.167 1.00 0.00 C ATOM 456 C TRP A 29 0.455 5.715 7.082 1.00 0.00 C ATOM 457 O TRP A 29 1.558 5.318 6.705 1.00 0.00 O ATOM 458 CB TRP A 29 0.635 4.550 9.285 1.00 0.00 C ATOM 459 CG TRP A 29 -0.040 4.374 10.612 1.00 0.00 C ATOM 460 CD1 TRP A 29 -0.972 3.430 10.939 1.00 0.00 C ATOM 461 CD2 TRP A 29 0.167 5.159 11.791 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.358 3.584 12.248 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.673 4.638 12.793 1.00 0.00 C ATOM 464 CE3 TRP A 29 0.982 6.253 12.096 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -0.722 5.174 14.078 1.00 0.00 C ATOM 466 CZ3 TRP A 29 0.932 6.784 13.372 1.00 0.00 C ATOM 467 CH2 TRP A 29 0.087 6.244 14.349 1.00 0.00 C ATOM 0 H TRP A 29 -0.479 3.342 6.861 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.071 5.642 8.579 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.118 3.614 9.005 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.422 5.298 9.383 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.350 2.674 10.267 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.044 3.007 12.735 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.638 6.675 11.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.375 4.760 14.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.556 7.630 13.619 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.073 6.681 15.337 1.00 0.00 H new ATOM 478 N LEU A 30 -0.135 6.792 6.583 1.00 0.00 N ATOM 479 CA LEU A 30 0.488 7.593 5.536 1.00 0.00 C ATOM 480 C LEU A 30 1.441 8.627 6.132 1.00 0.00 C ATOM 481 O LEU A 30 1.013 9.563 6.807 1.00 0.00 O ATOM 482 CB LEU A 30 -0.581 8.296 4.696 1.00 0.00 C ATOM 483 CG LEU A 30 -0.060 9.010 3.449 1.00 0.00 C ATOM 484 CD1 LEU A 30 -1.091 8.958 2.333 1.00 0.00 C ATOM 485 CD2 LEU A 30 0.304 10.452 3.774 1.00 0.00 C ATOM 0 H LEU A 30 -1.047 7.133 6.887 1.00 0.00 H new ATOM 0 HA LEU A 30 1.062 6.922 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.323 7.559 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.094 9.024 5.325 1.00 0.00 H new ATOM 0 HG LEU A 30 0.839 8.496 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.702 9.472 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.303 7.919 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.008 9.446 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.673 10.946 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.579 10.977 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.079 10.468 4.541 1.00 0.00 H new ATOM 497 N ASN A 31 2.733 8.450 5.873 1.00 0.00 N ATOM 498 CA ASN A 31 3.748 9.368 6.379 1.00 0.00 C ATOM 499 C ASN A 31 3.680 9.478 7.900 1.00 0.00 C ATOM 500 O ASN A 31 3.914 10.545 8.466 1.00 0.00 O ATOM 501 CB ASN A 31 3.573 10.750 5.748 1.00 0.00 C ATOM 502 CG ASN A 31 4.207 10.843 4.375 1.00 0.00 C ATOM 503 OD1 ASN A 31 4.945 9.951 3.957 1.00 0.00 O ATOM 504 ND2 ASN A 31 3.923 11.928 3.663 1.00 0.00 N ATOM 0 H ASN A 31 3.102 7.679 5.316 1.00 0.00 H new ATOM 0 HA ASN A 31 4.726 8.971 6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.510 10.979 5.671 1.00 0.00 H new ATOM 0 HB3 ASN A 31 4.015 11.503 6.401 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.322 12.046 2.732 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.306 12.643 4.048 1.00 0.00 H new ATOM 511 N GLY A 32 3.359 8.367 8.556 1.00 0.00 N ATOM 512 CA GLY A 32 3.268 8.362 10.004 1.00 0.00 C ATOM 513 C GLY A 32 1.985 8.995 10.506 1.00 0.00 C ATOM 514 O GLY A 32 2.019 9.945 11.288 1.00 0.00 O ATOM 0 H GLY A 32 3.161 7.471 8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.329 7.335 10.365 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.121 8.898 10.421 1.00 0.00 H new ATOM 518 N SER A 33 0.851 8.467 10.057 1.00 0.00 N ATOM 519 CA SER A 33 -0.449 8.984 10.465 1.00 0.00 C ATOM 520 C SER A 33 -1.560 8.001 10.112 1.00 0.00 C ATOM 521 O SER A 33 -1.796 7.712 8.939 1.00 0.00 O ATOM 522 CB SER A 33 -0.716 10.336 9.801 1.00 0.00 C ATOM 523 OG SER A 33 -1.391 11.214 10.683 1.00 0.00 O ATOM 0 H SER A 33 0.807 7.680 9.409 1.00 0.00 H new ATOM 0 HA SER A 33 -0.436 9.116 11.547 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.228 10.784 9.489 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.313 10.191 8.901 1.00 0.00 H new ATOM 0 HG SER A 33 -1.548 12.071 10.235 1.00 0.00 H new ATOM 529 N CYS A 34 -2.238 7.489 11.134 1.00 0.00 N ATOM 530 CA CYS A 34 -3.325 6.537 10.933 1.00 0.00 C ATOM 531 C CYS A 34 -4.380 7.102 9.987 1.00 0.00 C ATOM 532 O CYS A 34 -5.114 8.025 10.338 1.00 0.00 O ATOM 533 CB CYS A 34 -3.967 6.173 12.273 1.00 0.00 C ATOM 534 SG CYS A 34 -5.255 4.910 12.154 1.00 0.00 S ATOM 0 H CYS A 34 -2.054 7.718 12.111 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.906 5.638 10.482 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.190 5.822 12.953 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.395 7.073 12.715 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.736 4.668 13.337 1.00 0.00 H new ATOM 540 N ALA A 35 -4.448 6.541 8.784 1.00 0.00 N ATOM 541 CA ALA A 35 -5.410 6.988 7.784 1.00 0.00 C ATOM 542 C ALA A 35 -6.464 5.918 7.519 1.00 0.00 C ATOM 543 O ALA A 35 -6.159 4.726 7.492 1.00 0.00 O ATOM 544 CB ALA A 35 -4.694 7.357 6.494 1.00 0.00 C ATOM 0 H ALA A 35 -3.848 5.775 8.478 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.917 7.871 8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.423 7.689 5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.984 8.160 6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.161 6.486 6.112 1.00 0.00 H new ATOM 550 N LYS A 36 -7.704 6.353 7.322 1.00 0.00 N ATOM 551 CA LYS A 36 -8.802 5.433 7.057 1.00 0.00 C ATOM 552 C LYS A 36 -8.666 4.815 5.667 1.00 0.00 C ATOM 553 O LYS A 36 -7.592 4.853 5.066 1.00 0.00 O ATOM 554 CB LYS A 36 -10.143 6.161 7.183 1.00 0.00 C ATOM 555 CG LYS A 36 -11.218 5.340 7.879 1.00 0.00 C ATOM 556 CD LYS A 36 -12.121 6.213 8.734 1.00 0.00 C ATOM 557 CE LYS A 36 -12.486 5.526 10.040 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.672 4.637 9.889 1.00 0.00 N ATOM 0 H LYS A 36 -7.973 7.337 7.341 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.764 4.631 7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.993 7.089 7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.494 6.434 6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.817 4.816 7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.749 4.579 8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.621 7.158 8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.029 6.451 8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.636 4.941 10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.691 6.279 10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.888 4.188 10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.490 5.199 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.468 3.903 9.182 1.00 0.00 H new ATOM 572 N ALA A 37 -9.756 4.250 5.160 1.00 0.00 N ATOM 573 CA ALA A 37 -9.751 3.628 3.842 1.00 0.00 C ATOM 574 C ALA A 37 -10.224 4.603 2.769 1.00 0.00 C ATOM 575 O ALA A 37 -10.777 4.196 1.747 1.00 0.00 O ATOM 576 CB ALA A 37 -10.624 2.383 3.844 1.00 0.00 C ATOM 0 H ALA A 37 -10.654 4.210 5.642 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.725 3.342 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.611 1.928 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.241 1.671 4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.646 2.656 4.105 1.00 0.00 H new ATOM 582 N SER A 38 -10.000 5.892 3.004 1.00 0.00 N ATOM 583 CA SER A 38 -10.400 6.924 2.056 1.00 0.00 C ATOM 584 C SER A 38 -9.346 8.022 1.977 1.00 0.00 C ATOM 585 O SER A 38 -9.648 9.162 1.626 1.00 0.00 O ATOM 586 CB SER A 38 -11.747 7.525 2.462 1.00 0.00 C ATOM 587 OG SER A 38 -12.677 6.511 2.800 1.00 0.00 O ATOM 0 H SER A 38 -9.543 6.246 3.844 1.00 0.00 H new ATOM 0 HA SER A 38 -10.497 6.463 1.073 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.609 8.194 3.311 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.142 8.127 1.643 1.00 0.00 H new ATOM 0 HG SER A 38 -13.529 6.921 3.057 1.00 0.00 H new ATOM 593 N LYS A 39 -8.106 7.670 2.305 1.00 0.00 N ATOM 594 CA LYS A 39 -7.008 8.626 2.271 1.00 0.00 C ATOM 595 C LYS A 39 -6.250 8.534 0.950 1.00 0.00 C ATOM 596 O LYS A 39 -5.972 7.441 0.458 1.00 0.00 O ATOM 597 CB LYS A 39 -6.055 8.383 3.444 1.00 0.00 C ATOM 598 CG LYS A 39 -6.123 9.459 4.517 1.00 0.00 C ATOM 599 CD LYS A 39 -4.841 10.274 4.575 1.00 0.00 C ATOM 600 CE LYS A 39 -4.667 11.128 3.329 1.00 0.00 C ATOM 601 NZ LYS A 39 -3.599 12.151 3.502 1.00 0.00 N ATOM 0 H LYS A 39 -7.838 6.730 2.597 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.426 9.629 2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.285 7.418 3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.035 8.323 3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.966 10.120 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.304 8.996 5.487 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.855 10.914 5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.987 9.604 4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.423 10.488 2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.609 11.623 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.512 12.712 2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.844 12.778 4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.694 11.678 3.701 1.00 0.00 H new ATOM 615 N GLU A 40 -5.922 9.689 0.379 1.00 0.00 N ATOM 616 CA GLU A 40 -5.198 9.736 -0.886 1.00 0.00 C ATOM 617 C GLU A 40 -3.693 9.665 -0.656 1.00 0.00 C ATOM 618 O GLU A 40 -3.176 10.213 0.318 1.00 0.00 O ATOM 619 CB GLU A 40 -5.550 11.015 -1.651 1.00 0.00 C ATOM 620 CG GLU A 40 -5.450 10.868 -3.160 1.00 0.00 C ATOM 621 CD GLU A 40 -6.035 12.055 -3.901 1.00 0.00 C ATOM 622 OE1 GLU A 40 -7.069 12.588 -3.446 1.00 0.00 O ATOM 623 OE2 GLU A 40 -5.459 12.452 -4.936 1.00 0.00 O ATOM 0 H GLU A 40 -6.146 10.603 0.772 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.496 8.871 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.564 11.317 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.886 11.816 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.404 10.748 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.969 9.960 -3.468 1.00 0.00 H new ATOM 630 N VAL A 41 -2.993 8.987 -1.561 1.00 0.00 N ATOM 631 CA VAL A 41 -1.546 8.845 -1.458 1.00 0.00 C ATOM 632 C VAL A 41 -0.846 9.481 -2.655 1.00 0.00 C ATOM 633 O VAL A 41 -1.404 9.545 -3.751 1.00 0.00 O ATOM 634 CB VAL A 41 -1.131 7.364 -1.364 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.600 6.760 -0.049 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.678 6.579 -2.546 1.00 0.00 C ATOM 0 H VAL A 41 -3.405 8.528 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.242 9.358 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.043 7.308 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.298 5.714 -0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.153 7.306 0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.686 6.827 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.374 5.536 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.766 6.641 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.286 6.997 -3.473 1.00 0.00 H new ATOM 646 N LYS A 42 0.378 9.949 -2.438 1.00 0.00 N ATOM 647 CA LYS A 42 1.155 10.581 -3.498 1.00 0.00 C ATOM 648 C LYS A 42 2.432 9.795 -3.781 1.00 0.00 C ATOM 649 O LYS A 42 2.709 8.787 -3.129 1.00 0.00 O ATOM 650 CB LYS A 42 1.500 12.022 -3.117 1.00 0.00 C ATOM 651 CG LYS A 42 1.330 13.012 -4.260 1.00 0.00 C ATOM 652 CD LYS A 42 2.585 13.841 -4.476 1.00 0.00 C ATOM 653 CE LYS A 42 2.737 14.912 -3.408 1.00 0.00 C ATOM 654 NZ LYS A 42 3.250 16.191 -3.973 1.00 0.00 N ATOM 0 H LYS A 42 0.854 9.903 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 42 0.548 10.589 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.868 12.330 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.531 12.059 -2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.088 12.473 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.489 13.673 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.459 13.189 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.548 14.309 -5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.773 15.087 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.418 14.558 -2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.339 16.895 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.181 16.030 -4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.588 16.542 -4.694 1.00 0.00 H new ATOM 668 N ALA A 43 3.204 10.260 -4.757 1.00 0.00 N ATOM 669 CA ALA A 43 4.450 9.599 -5.126 1.00 0.00 C ATOM 670 C ALA A 43 5.585 9.999 -4.189 1.00 0.00 C ATOM 671 O ALA A 43 5.513 11.025 -3.512 1.00 0.00 O ATOM 672 CB ALA A 43 4.813 9.925 -6.567 1.00 0.00 C ATOM 0 H ALA A 43 2.989 11.092 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 43 4.302 8.523 -5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.745 9.425 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.018 9.581 -7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.936 11.003 -6.676 1.00 0.00 H new ATOM 678 N GLY A 44 6.632 9.182 -4.155 1.00 0.00 N ATOM 679 CA GLY A 44 7.768 9.466 -3.299 1.00 0.00 C ATOM 680 C GLY A 44 7.382 9.566 -1.837 1.00 0.00 C ATOM 681 O GLY A 44 8.048 10.249 -1.058 1.00 0.00 O ATOM 0 H GLY A 44 6.714 8.327 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.516 8.683 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.231 10.401 -3.614 1.00 0.00 H new ATOM 685 N ASP A 45 6.304 8.886 -1.462 1.00 0.00 N ATOM 686 CA ASP A 45 5.830 8.901 -0.082 1.00 0.00 C ATOM 687 C ASP A 45 6.152 7.586 0.620 1.00 0.00 C ATOM 688 O ASP A 45 6.661 6.651 0.002 1.00 0.00 O ATOM 689 CB ASP A 45 4.323 9.162 -0.042 1.00 0.00 C ATOM 690 CG ASP A 45 3.933 10.129 1.059 1.00 0.00 C ATOM 691 OD1 ASP A 45 4.735 11.035 1.365 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.825 9.978 1.616 1.00 0.00 O ATOM 0 H ASP A 45 5.741 8.317 -2.094 1.00 0.00 H new ATOM 0 HA ASP A 45 6.344 9.705 0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.000 9.561 -1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.797 8.218 0.104 1.00 0.00 H new ATOM 697 N THR A 46 5.852 7.522 1.914 1.00 0.00 N ATOM 698 CA THR A 46 6.111 6.323 2.699 1.00 0.00 C ATOM 699 C THR A 46 4.808 5.632 3.089 1.00 0.00 C ATOM 700 O THR A 46 3.836 6.285 3.471 1.00 0.00 O ATOM 701 CB THR A 46 6.912 6.675 3.954 1.00 0.00 C ATOM 702 OG1 THR A 46 8.146 7.277 3.608 1.00 0.00 O ATOM 703 CG2 THR A 46 7.213 5.476 4.827 1.00 0.00 C ATOM 0 H THR A 46 5.429 8.287 2.440 1.00 0.00 H new ATOM 0 HA THR A 46 6.693 5.636 2.085 1.00 0.00 H new ATOM 0 HB THR A 46 6.281 7.364 4.516 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.643 7.496 4.424 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.783 5.795 5.699 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.278 5.019 5.152 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.795 4.750 4.259 1.00 0.00 H new ATOM 711 N ILE A 47 4.799 4.308 2.994 1.00 0.00 N ATOM 712 CA ILE A 47 3.621 3.521 3.339 1.00 0.00 C ATOM 713 C ILE A 47 3.903 2.624 4.541 1.00 0.00 C ATOM 714 O ILE A 47 4.542 1.581 4.413 1.00 0.00 O ATOM 715 CB ILE A 47 3.163 2.651 2.150 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.936 3.524 0.914 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.898 1.881 2.502 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.834 4.546 1.093 1.00 0.00 C ATOM 0 H ILE A 47 5.597 3.755 2.680 1.00 0.00 H new ATOM 0 HA ILE A 47 2.825 4.221 3.590 1.00 0.00 H new ATOM 0 HB ILE A 47 3.948 1.928 1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.864 4.041 0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.693 2.884 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.592 1.274 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.092 1.234 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.102 2.583 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.727 5.130 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.896 4.035 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.084 5.210 1.920 1.00 0.00 H new ATOM 730 N SER A 48 3.426 3.040 5.710 1.00 0.00 N ATOM 731 CA SER A 48 3.635 2.275 6.934 1.00 0.00 C ATOM 732 C SER A 48 2.629 1.134 7.047 1.00 0.00 C ATOM 733 O SER A 48 1.565 1.166 6.430 1.00 0.00 O ATOM 734 CB SER A 48 3.529 3.193 8.155 1.00 0.00 C ATOM 735 OG SER A 48 3.273 2.450 9.336 1.00 0.00 O ATOM 0 H SER A 48 2.893 3.901 5.835 1.00 0.00 H new ATOM 0 HA SER A 48 4.635 1.844 6.897 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.455 3.757 8.271 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.731 3.919 7.999 1.00 0.00 H new ATOM 0 HG SER A 48 3.212 3.061 10.100 1.00 0.00 H new ATOM 741 N LEU A 49 2.979 0.125 7.839 1.00 0.00 N ATOM 742 CA LEU A 49 2.112 -1.030 8.036 1.00 0.00 C ATOM 743 C LEU A 49 2.315 -1.629 9.424 1.00 0.00 C ATOM 744 O LEU A 49 3.358 -2.215 9.712 1.00 0.00 O ATOM 745 CB LEU A 49 2.390 -2.089 6.967 1.00 0.00 C ATOM 746 CG LEU A 49 1.700 -1.845 5.622 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.631 -1.110 4.670 1.00 0.00 C ATOM 748 CD2 LEU A 49 1.244 -3.162 5.012 1.00 0.00 C ATOM 0 H LEU A 49 3.858 0.085 8.355 1.00 0.00 H new ATOM 0 HA LEU A 49 1.078 -0.698 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.466 -2.144 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.076 -3.061 7.349 1.00 0.00 H new ATOM 0 HG LEU A 49 0.822 -1.222 5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.124 -0.945 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.910 -0.150 5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.527 -1.708 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.756 -2.971 4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.107 -3.809 4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.542 -3.652 5.687 1.00 0.00 H new ATOM 760 N HIS A 50 1.313 -1.474 10.283 1.00 0.00 N ATOM 761 CA HIS A 50 1.385 -1.997 11.643 1.00 0.00 C ATOM 762 C HIS A 50 1.004 -3.472 11.683 1.00 0.00 C ATOM 763 O HIS A 50 -0.123 -3.843 11.356 1.00 0.00 O ATOM 764 CB HIS A 50 0.468 -1.198 12.571 1.00 0.00 C ATOM 765 CG HIS A 50 0.949 -1.151 13.988 1.00 0.00 C ATOM 766 ND1 HIS A 50 1.984 -0.340 14.406 1.00 0.00 N ATOM 767 CD2 HIS A 50 0.533 -1.822 15.087 1.00 0.00 C ATOM 768 CE1 HIS A 50 2.185 -0.517 15.700 1.00 0.00 C ATOM 769 NE2 HIS A 50 1.317 -1.410 16.138 1.00 0.00 N ATOM 0 H HIS A 50 0.442 -0.991 10.062 1.00 0.00 H new ATOM 0 HA HIS A 50 2.415 -1.897 11.986 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.378 -0.180 12.192 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.530 -1.636 12.548 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.267 -2.547 15.130 1.00 0.00 H new ATOM 0 HE1 HIS A 50 2.932 -0.016 16.298 1.00 0.00 H new ATOM 0 HE2 HIS A 50 1.241 -1.740 17.100 1.00 0.00 H new ATOM 778 N TYR A 51 1.954 -4.309 12.088 1.00 0.00 N ATOM 779 CA TYR A 51 1.719 -5.746 12.173 1.00 0.00 C ATOM 780 C TYR A 51 2.033 -6.264 13.573 1.00 0.00 C ATOM 781 O TYR A 51 2.728 -5.607 14.348 1.00 0.00 O ATOM 782 CB TYR A 51 2.570 -6.487 11.140 1.00 0.00 C ATOM 783 CG TYR A 51 1.938 -6.544 9.767 1.00 0.00 C ATOM 784 CD1 TYR A 51 1.598 -5.379 9.089 1.00 0.00 C ATOM 785 CD2 TYR A 51 1.680 -7.761 9.150 1.00 0.00 C ATOM 786 CE1 TYR A 51 1.019 -5.426 7.836 1.00 0.00 C ATOM 787 CE2 TYR A 51 1.101 -7.816 7.897 1.00 0.00 C ATOM 788 CZ TYR A 51 0.773 -6.647 7.244 1.00 0.00 C ATOM 789 OH TYR A 51 0.196 -6.697 5.996 1.00 0.00 O ATOM 0 H TYR A 51 2.892 -4.017 12.362 1.00 0.00 H new ATOM 0 HA TYR A 51 0.665 -5.930 11.963 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.542 -5.999 11.064 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.750 -7.503 11.491 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.790 -4.421 9.550 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.936 -8.679 9.658 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.760 -4.512 7.323 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.906 -8.771 7.431 1.00 0.00 H new ATOM 0 HH TYR A 51 0.092 -7.632 5.721 1.00 0.00 H new ATOM 799 N LEU A 52 1.518 -7.447 13.890 1.00 0.00 N ATOM 800 CA LEU A 52 1.742 -8.053 15.197 1.00 0.00 C ATOM 801 C LEU A 52 3.206 -8.444 15.373 1.00 0.00 C ATOM 802 O LEU A 52 3.734 -8.429 16.484 1.00 0.00 O ATOM 803 CB LEU A 52 0.849 -9.282 15.376 1.00 0.00 C ATOM 804 CG LEU A 52 0.785 -10.219 14.166 1.00 0.00 C ATOM 805 CD1 LEU A 52 0.955 -11.668 14.600 1.00 0.00 C ATOM 806 CD2 LEU A 52 -0.529 -10.038 13.419 1.00 0.00 C ATOM 0 H LEU A 52 0.943 -8.005 13.259 1.00 0.00 H new ATOM 0 HA LEU A 52 1.487 -7.315 15.958 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.205 -9.849 16.237 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.161 -8.947 15.611 1.00 0.00 H new ATOM 0 HG LEU A 52 1.603 -9.964 13.492 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.907 -12.318 13.726 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.921 -11.790 15.090 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.159 -11.935 15.295 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.556 -10.712 12.563 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.361 -10.265 14.086 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.612 -9.008 13.073 1.00 0.00 H new ATOM 818 N LYS A 53 3.856 -8.794 14.268 1.00 0.00 N ATOM 819 CA LYS A 53 5.260 -9.190 14.300 1.00 0.00 C ATOM 820 C LYS A 53 6.173 -7.968 14.273 1.00 0.00 C ATOM 821 O LYS A 53 7.283 -7.999 14.805 1.00 0.00 O ATOM 822 CB LYS A 53 5.580 -10.109 13.120 1.00 0.00 C ATOM 823 CG LYS A 53 5.436 -9.432 11.766 1.00 0.00 C ATOM 824 CD LYS A 53 6.784 -8.998 11.214 1.00 0.00 C ATOM 825 CE LYS A 53 7.361 -10.041 10.270 1.00 0.00 C ATOM 826 NZ LYS A 53 8.795 -9.782 9.965 1.00 0.00 N ATOM 0 H LYS A 53 3.434 -8.812 13.340 1.00 0.00 H new ATOM 0 HA LYS A 53 5.437 -9.731 15.230 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.600 -10.480 13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.920 -10.976 13.156 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.958 -10.116 11.065 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.783 -8.564 11.860 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.675 -8.050 10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.478 -8.827 12.037 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.258 -11.030 10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.788 -10.048 9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.150 -10.515 9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.891 -8.849 9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.346 -9.801 10.847 1.00 0.00 H new ATOM 840 N GLY A 54 5.700 -6.894 13.650 1.00 0.00 N ATOM 841 CA GLY A 54 6.489 -5.678 13.566 1.00 0.00 C ATOM 842 C GLY A 54 5.967 -4.718 12.514 1.00 0.00 C ATOM 843 O GLY A 54 4.758 -4.591 12.326 1.00 0.00 O ATOM 0 H GLY A 54 4.785 -6.843 13.202 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.491 -5.182 14.537 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.523 -5.935 13.337 1.00 0.00 H new ATOM 847 N ILE A 55 6.883 -4.043 11.827 1.00 0.00 N ATOM 848 CA ILE A 55 6.509 -3.089 10.789 1.00 0.00 C ATOM 849 C ILE A 55 7.421 -3.214 9.573 1.00 0.00 C ATOM 850 O ILE A 55 8.603 -3.532 9.700 1.00 0.00 O ATOM 851 CB ILE A 55 6.563 -1.640 11.310 1.00 0.00 C ATOM 852 CG1 ILE A 55 5.797 -1.518 12.629 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.998 -0.681 10.271 1.00 0.00 C ATOM 854 CD1 ILE A 55 6.678 -1.635 13.852 1.00 0.00 C ATOM 0 H ILE A 55 7.888 -4.139 11.970 1.00 0.00 H new ATOM 0 HA ILE A 55 5.485 -3.324 10.498 1.00 0.00 H new ATOM 0 HB ILE A 55 7.604 -1.375 11.492 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.282 -0.558 12.653 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.031 -2.292 12.668 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.043 0.338 10.654 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.584 -0.751 9.355 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.961 -0.943 10.059 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.068 -1.539 14.750 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.174 -2.606 13.852 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.428 -0.845 13.837 1.00 0.00 H new ATOM 866 N GLU A 56 6.863 -2.961 8.393 1.00 0.00 N ATOM 867 CA GLU A 56 7.624 -3.045 7.152 1.00 0.00 C ATOM 868 C GLU A 56 7.987 -1.653 6.645 1.00 0.00 C ATOM 869 O GLU A 56 9.156 -1.359 6.392 1.00 0.00 O ATOM 870 CB GLU A 56 6.822 -3.797 6.088 1.00 0.00 C ATOM 871 CG GLU A 56 6.687 -5.285 6.369 1.00 0.00 C ATOM 872 CD GLU A 56 5.381 -5.632 7.058 1.00 0.00 C ATOM 873 OE1 GLU A 56 5.318 -5.520 8.301 1.00 0.00 O ATOM 874 OE2 GLU A 56 4.424 -6.017 6.356 1.00 0.00 O ATOM 0 H GLU A 56 5.886 -2.696 8.271 1.00 0.00 H new ATOM 0 HA GLU A 56 8.546 -3.591 7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.827 -3.357 6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.302 -3.660 5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.756 -5.836 5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.520 -5.610 6.992 1.00 0.00 H new ATOM 881 N GLU A 57 6.979 -0.799 6.501 1.00 0.00 N ATOM 882 CA GLU A 57 7.191 0.564 6.027 1.00 0.00 C ATOM 883 C GLU A 57 7.733 0.571 4.601 1.00 0.00 C ATOM 884 O GLU A 57 8.939 0.453 4.384 1.00 0.00 O ATOM 885 CB GLU A 57 8.152 1.307 6.959 1.00 0.00 C ATOM 886 CG GLU A 57 7.505 2.462 7.706 1.00 0.00 C ATOM 887 CD GLU A 57 8.348 2.951 8.867 1.00 0.00 C ATOM 888 OE1 GLU A 57 8.913 2.103 9.588 1.00 0.00 O ATOM 889 OE2 GLU A 57 8.444 4.182 9.054 1.00 0.00 O ATOM 0 H GLU A 57 6.006 -1.027 6.706 1.00 0.00 H new ATOM 0 HA GLU A 57 6.228 1.075 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.561 0.602 7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.990 1.687 6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.333 3.286 7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.529 2.149 8.077 1.00 0.00 H new ATOM 896 N TYR A 58 6.834 0.719 3.634 1.00 0.00 N ATOM 897 CA TYR A 58 7.218 0.750 2.228 1.00 0.00 C ATOM 898 C TYR A 58 7.396 2.188 1.751 1.00 0.00 C ATOM 899 O TYR A 58 7.226 3.132 2.522 1.00 0.00 O ATOM 900 CB TYR A 58 6.171 0.040 1.367 1.00 0.00 C ATOM 901 CG TYR A 58 5.977 -1.417 1.724 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.457 -1.787 2.957 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.315 -2.421 0.826 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.279 -3.118 3.286 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.140 -3.754 1.147 1.00 0.00 C ATOM 906 CZ TYR A 58 5.622 -4.097 2.378 1.00 0.00 C ATOM 907 OH TYR A 58 5.446 -5.423 2.701 1.00 0.00 O ATOM 0 H TYR A 58 5.832 0.820 3.799 1.00 0.00 H new ATOM 0 HA TYR A 58 8.169 0.227 2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.218 0.560 1.467 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.465 0.112 0.320 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.187 -1.023 3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.721 -2.156 -0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.873 -3.389 4.249 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.408 -4.523 0.437 1.00 0.00 H new ATOM 0 HH TYR A 58 4.690 -5.512 3.318 1.00 0.00 H new ATOM 917 N THR A 59 7.742 2.346 0.480 1.00 0.00 N ATOM 918 CA THR A 59 7.947 3.670 -0.096 1.00 0.00 C ATOM 919 C THR A 59 7.383 3.746 -1.511 1.00 0.00 C ATOM 920 O THR A 59 7.716 2.926 -2.368 1.00 0.00 O ATOM 921 CB THR A 59 9.437 4.016 -0.110 1.00 0.00 C ATOM 922 OG1 THR A 59 9.974 3.975 1.201 1.00 0.00 O ATOM 923 CG2 THR A 59 9.729 5.387 -0.683 1.00 0.00 C ATOM 0 H THR A 59 7.887 1.575 -0.172 1.00 0.00 H new ATOM 0 HA THR A 59 7.417 4.393 0.524 1.00 0.00 H new ATOM 0 HB THR A 59 9.901 3.266 -0.751 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.714 4.613 1.271 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.804 5.568 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.372 5.435 -1.712 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.222 6.146 -0.087 1.00 0.00 H new ATOM 931 N ILE A 60 6.531 4.737 -1.751 1.00 0.00 N ATOM 932 CA ILE A 60 5.924 4.924 -3.063 1.00 0.00 C ATOM 933 C ILE A 60 6.876 5.649 -4.008 1.00 0.00 C ATOM 934 O ILE A 60 7.409 6.708 -3.676 1.00 0.00 O ATOM 935 CB ILE A 60 4.609 5.722 -2.968 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.719 5.154 -1.861 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.883 5.702 -4.305 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.422 5.912 -1.681 1.00 0.00 C ATOM 0 H ILE A 60 6.245 5.424 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 60 5.709 3.930 -3.456 1.00 0.00 H new ATOM 0 HB ILE A 60 4.845 6.757 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.493 4.112 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.270 5.165 -0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.956 6.269 -4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.517 6.150 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.655 4.672 -4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.841 5.454 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.639 6.949 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.850 5.879 -2.608 1.00 0.00 H new ATOM 950 N LEU A 61 7.085 5.073 -5.186 1.00 0.00 N ATOM 951 CA LEU A 61 7.974 5.663 -6.180 1.00 0.00 C ATOM 952 C LEU A 61 7.190 6.480 -7.204 1.00 0.00 C ATOM 953 O LEU A 61 7.741 7.368 -7.855 1.00 0.00 O ATOM 954 CB LEU A 61 8.774 4.569 -6.891 1.00 0.00 C ATOM 955 CG LEU A 61 9.762 3.810 -6.003 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.422 2.682 -6.782 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.812 4.758 -5.443 1.00 0.00 C ATOM 0 H LEU A 61 6.651 4.197 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 61 8.661 6.331 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.076 3.854 -7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.324 5.020 -7.717 1.00 0.00 H new ATOM 0 HG LEU A 61 9.211 3.375 -5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.121 2.153 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.659 1.988 -7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.959 3.095 -7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.506 4.201 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.358 5.222 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.324 5.531 -4.849 1.00 0.00 H new ATOM 969 N GLN A 62 5.903 6.174 -7.345 1.00 0.00 N ATOM 970 CA GLN A 62 5.049 6.883 -8.293 1.00 0.00 C ATOM 971 C GLN A 62 3.606 6.399 -8.194 1.00 0.00 C ATOM 972 O GLN A 62 3.325 5.382 -7.560 1.00 0.00 O ATOM 973 CB GLN A 62 5.568 6.692 -9.720 1.00 0.00 C ATOM 974 CG GLN A 62 5.503 7.952 -10.566 1.00 0.00 C ATOM 975 CD GLN A 62 5.888 7.706 -12.011 1.00 0.00 C ATOM 976 OE1 GLN A 62 6.345 6.618 -12.367 1.00 0.00 O ATOM 977 NE2 GLN A 62 5.706 8.715 -12.854 1.00 0.00 N ATOM 0 H GLN A 62 5.430 5.442 -6.816 1.00 0.00 H new ATOM 0 HA GLN A 62 5.074 7.944 -8.044 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.601 6.346 -9.678 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.988 5.908 -10.206 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.493 8.359 -10.528 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.166 8.705 -10.141 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.325 9.599 -12.517 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.947 8.606 -13.839 1.00 0.00 H new ATOM 986 N ILE A 63 2.695 7.132 -8.827 1.00 0.00 N ATOM 987 CA ILE A 63 1.282 6.776 -8.811 1.00 0.00 C ATOM 988 C ILE A 63 0.732 6.637 -10.228 1.00 0.00 C ATOM 989 O ILE A 63 0.248 7.606 -10.811 1.00 0.00 O ATOM 990 CB ILE A 63 0.447 7.825 -8.052 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.095 8.151 -6.706 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.977 7.326 -7.854 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.165 6.968 -5.765 1.00 0.00 C ATOM 0 H ILE A 63 2.911 7.976 -9.357 1.00 0.00 H new ATOM 0 HA ILE A 63 1.205 5.818 -8.298 1.00 0.00 H new ATOM 0 HB ILE A 63 0.413 8.738 -8.646 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.103 8.527 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.534 8.953 -6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.555 8.078 -7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.436 7.142 -8.825 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.961 6.400 -7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.636 7.274 -4.831 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.158 6.605 -5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.752 6.172 -6.224 1.00 0.00 H new ATOM 1005 N PRO A 64 0.797 5.423 -10.803 1.00 0.00 N ATOM 1006 CA PRO A 64 0.299 5.165 -12.159 1.00 0.00 C ATOM 1007 C PRO A 64 -1.217 5.308 -12.260 1.00 0.00 C ATOM 1008 O PRO A 64 -1.771 5.383 -13.355 1.00 0.00 O ATOM 1009 CB PRO A 64 0.718 3.717 -12.428 1.00 0.00 C ATOM 1010 CG PRO A 64 0.870 3.108 -11.079 1.00 0.00 C ATOM 1011 CD PRO A 64 1.356 4.209 -10.180 1.00 0.00 C ATOM 0 HA PRO A 64 0.700 5.878 -12.879 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.033 3.191 -13.017 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.651 3.673 -12.989 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.078 2.704 -10.724 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.580 2.281 -11.102 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.000 4.081 -9.158 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.445 4.243 -10.137 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.881 5.346 -11.110 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.331 5.481 -11.068 1.00 0.00 C ATOM 1021 C ALA A 65 -4.015 4.311 -11.765 1.00 0.00 C ATOM 1022 O ALA A 65 -5.042 4.481 -12.422 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.756 6.796 -11.704 1.00 0.00 C ATOM 0 H ALA A 65 -1.437 5.285 -10.194 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.640 5.476 -10.023 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.842 6.884 -11.666 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.305 7.626 -11.160 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.426 6.821 -12.743 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.441 3.121 -11.620 1.00 0.00 N ATOM 1030 CA LEU A 66 -4.000 1.924 -12.239 1.00 0.00 C ATOM 1031 C LEU A 66 -4.948 1.208 -11.280 1.00 0.00 C ATOM 1032 O LEU A 66 -5.165 1.656 -10.154 1.00 0.00 O ATOM 1033 CB LEU A 66 -2.876 0.983 -12.691 1.00 0.00 C ATOM 1034 CG LEU A 66 -2.435 -0.067 -11.666 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -1.286 -0.899 -12.216 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -2.035 0.598 -10.358 1.00 0.00 C ATOM 0 H LEU A 66 -2.591 2.960 -11.080 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.573 2.227 -13.116 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.200 0.468 -13.595 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.009 1.586 -12.962 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.277 -0.731 -11.470 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.986 -1.640 -11.475 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.607 -1.406 -13.126 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.441 -0.248 -12.442 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.725 -0.164 -9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.208 1.286 -10.537 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.885 1.149 -9.955 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.511 0.093 -11.735 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.436 -0.685 -10.919 1.00 0.00 C ATOM 1050 C LYS A 67 -5.821 -2.022 -10.515 1.00 0.00 C ATOM 1051 O LYS A 67 -6.176 -2.592 -9.484 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.744 -0.921 -11.678 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.759 0.197 -11.502 1.00 0.00 C ATOM 1054 CD LYS A 67 -10.136 -0.348 -11.153 1.00 0.00 C ATOM 1055 CE LYS A 67 -11.231 0.656 -11.477 1.00 0.00 C ATOM 1056 NZ LYS A 67 -12.384 0.540 -10.544 1.00 0.00 N ATOM 0 H LYS A 67 -5.343 -0.292 -12.664 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.645 -0.116 -10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.523 -1.036 -12.739 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.186 -1.858 -11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.424 0.873 -10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.820 0.782 -12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.313 -1.272 -11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.172 -0.597 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.824 1.666 -11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.575 0.501 -12.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.109 1.241 -10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.789 -0.416 -10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.062 0.713 -9.571 1.00 0.00 H new ATOM 1070 N ASN A 68 -4.898 -2.519 -11.334 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.237 -3.789 -11.060 1.00 0.00 C ATOM 1072 C ASN A 68 -2.841 -3.819 -11.675 1.00 0.00 C ATOM 1073 O ASN A 68 -2.662 -3.490 -12.848 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.071 -4.948 -11.607 1.00 0.00 C ATOM 1075 CG ASN A 68 -4.656 -6.286 -11.029 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -3.480 -6.650 -11.056 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -5.623 -7.027 -10.503 1.00 0.00 N ATOM 0 H ASN A 68 -4.592 -2.061 -12.192 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.141 -3.896 -9.979 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.123 -4.771 -11.385 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.975 -4.979 -12.692 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.405 -7.938 -10.099 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.584 -6.685 -10.502 1.00 0.00 H new ATOM 1084 N VAL A 69 -1.854 -4.212 -10.877 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.474 -4.283 -11.344 1.00 0.00 C ATOM 1086 C VAL A 69 -0.089 -5.716 -11.708 1.00 0.00 C ATOM 1087 O VAL A 69 0.281 -6.504 -10.837 1.00 0.00 O ATOM 1088 CB VAL A 69 0.510 -3.758 -10.281 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.897 -3.581 -10.877 1.00 0.00 C ATOM 1090 CG2 VAL A 69 0.010 -2.451 -9.682 1.00 0.00 C ATOM 0 H VAL A 69 -1.984 -4.486 -9.903 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.410 -3.653 -12.231 1.00 0.00 H new ATOM 0 HB VAL A 69 0.573 -4.495 -9.481 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.578 -3.210 -10.111 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.258 -4.540 -11.249 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.851 -2.867 -11.699 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.720 -2.098 -8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.088 -1.704 -10.470 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.960 -2.613 -9.213 1.00 0.00 H new ATOM 1100 N PRO A 70 -0.171 -6.075 -13.001 1.00 0.00 N ATOM 1101 CA PRO A 70 0.173 -7.424 -13.466 1.00 0.00 C ATOM 1102 C PRO A 70 1.658 -7.728 -13.305 1.00 0.00 C ATOM 1103 O PRO A 70 2.405 -6.937 -12.729 1.00 0.00 O ATOM 1104 CB PRO A 70 -0.211 -7.405 -14.948 1.00 0.00 C ATOM 1105 CG PRO A 70 -0.181 -5.967 -15.334 1.00 0.00 C ATOM 1106 CD PRO A 70 -0.601 -5.203 -14.110 1.00 0.00 C ATOM 0 HA PRO A 70 -0.342 -8.194 -12.892 1.00 0.00 H new ATOM 0 HB2 PRO A 70 0.490 -7.989 -15.545 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.200 -7.836 -15.105 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.817 -5.670 -15.657 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.856 -5.772 -16.167 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.122 -4.225 -14.062 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.677 -5.031 -14.093 1.00 0.00 H new ATOM 1114 N ARG A 71 2.080 -8.878 -13.817 1.00 0.00 N ATOM 1115 CA ARG A 71 3.477 -9.287 -13.730 1.00 0.00 C ATOM 1116 C ARG A 71 4.322 -8.551 -14.766 1.00 0.00 C ATOM 1117 O ARG A 71 4.915 -9.168 -15.652 1.00 0.00 O ATOM 1118 CB ARG A 71 3.602 -10.800 -13.927 1.00 0.00 C ATOM 1119 CG ARG A 71 2.639 -11.607 -13.073 1.00 0.00 C ATOM 1120 CD ARG A 71 3.298 -12.088 -11.791 1.00 0.00 C ATOM 1121 NE ARG A 71 3.137 -11.132 -10.698 1.00 0.00 N ATOM 1122 CZ ARG A 71 1.963 -10.817 -10.156 1.00 0.00 C ATOM 1123 NH1 ARG A 71 0.846 -11.377 -10.602 1.00 0.00 N ATOM 1124 NH2 ARG A 71 1.905 -9.938 -9.164 1.00 0.00 N ATOM 0 H ARG A 71 1.475 -9.544 -14.297 1.00 0.00 H new ATOM 0 HA ARG A 71 3.846 -9.029 -12.737 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.429 -11.037 -14.977 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.623 -11.105 -13.696 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.769 -10.997 -12.829 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.278 -12.464 -13.641 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.868 -13.046 -11.500 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.360 -12.257 -11.971 1.00 0.00 H new ATOM 0 HE ARG A 71 3.973 -10.680 -10.329 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.884 -12.053 -11.365 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.051 -11.131 -10.182 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.760 -9.504 -8.817 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.005 -9.696 -8.749 1.00 0.00 H new ATOM 1138 N LYS A 72 4.374 -7.228 -14.647 1.00 0.00 N ATOM 1139 CA LYS A 72 5.145 -6.405 -15.572 1.00 0.00 C ATOM 1140 C LYS A 72 6.140 -5.530 -14.819 1.00 0.00 C ATOM 1141 O LYS A 72 7.305 -5.423 -15.206 1.00 0.00 O ATOM 1142 CB LYS A 72 4.210 -5.532 -16.412 1.00 0.00 C ATOM 1143 CG LYS A 72 3.821 -6.160 -17.740 1.00 0.00 C ATOM 1144 CD LYS A 72 3.557 -5.103 -18.801 1.00 0.00 C ATOM 1145 CE LYS A 72 2.068 -4.876 -19.004 1.00 0.00 C ATOM 1146 NZ LYS A 72 1.781 -3.518 -19.539 1.00 0.00 N ATOM 0 H LYS A 72 3.891 -6.703 -13.918 1.00 0.00 H new ATOM 0 HA LYS A 72 5.701 -7.068 -16.234 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.306 -5.326 -15.839 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.693 -4.573 -16.601 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.617 -6.824 -18.077 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.930 -6.773 -17.606 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.032 -4.167 -18.509 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.011 -5.411 -19.743 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.677 -5.627 -19.691 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.548 -5.010 -18.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.755 -3.403 -19.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.131 -2.801 -18.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.256 -3.399 -20.456 1.00 0.00 H new ATOM 1160 N ASP A 73 5.676 -4.903 -13.743 1.00 0.00 N ATOM 1161 CA ASP A 73 6.530 -4.036 -12.939 1.00 0.00 C ATOM 1162 C ASP A 73 6.343 -4.313 -11.448 1.00 0.00 C ATOM 1163 O ASP A 73 7.118 -5.060 -10.849 1.00 0.00 O ATOM 1164 CB ASP A 73 6.235 -2.565 -13.248 1.00 0.00 C ATOM 1165 CG ASP A 73 7.286 -1.942 -14.145 1.00 0.00 C ATOM 1166 OD1 ASP A 73 7.137 -2.026 -15.382 1.00 0.00 O ATOM 1167 OD2 ASP A 73 8.261 -1.371 -13.610 1.00 0.00 O ATOM 0 H ASP A 73 4.716 -4.979 -13.408 1.00 0.00 H new ATOM 0 HA ASP A 73 7.568 -4.249 -13.196 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.259 -2.486 -13.727 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.179 -2.005 -12.315 1.00 0.00 H new ATOM 1172 N THR A 74 5.315 -3.707 -10.854 1.00 0.00 N ATOM 1173 CA THR A 74 5.025 -3.885 -9.431 1.00 0.00 C ATOM 1174 C THR A 74 6.299 -3.820 -8.590 1.00 0.00 C ATOM 1175 O THR A 74 6.394 -4.456 -7.540 1.00 0.00 O ATOM 1176 CB THR A 74 4.309 -5.217 -9.194 1.00 0.00 C ATOM 1177 OG1 THR A 74 3.985 -5.375 -7.825 1.00 0.00 O ATOM 1178 CG2 THR A 74 5.125 -6.420 -9.614 1.00 0.00 C ATOM 0 H THR A 74 4.667 -3.086 -11.338 1.00 0.00 H new ATOM 0 HA THR A 74 4.372 -3.069 -9.122 1.00 0.00 H new ATOM 0 HB THR A 74 3.411 -5.175 -9.811 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.741 -5.082 -7.274 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.558 -7.330 -9.418 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.349 -6.354 -10.679 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.056 -6.444 -9.048 1.00 0.00 H new ATOM 1186 N HIS A 75 7.275 -3.051 -9.062 1.00 0.00 N ATOM 1187 CA HIS A 75 8.545 -2.907 -8.355 1.00 0.00 C ATOM 1188 C HIS A 75 9.001 -1.452 -8.311 1.00 0.00 C ATOM 1189 O HIS A 75 9.674 -1.033 -7.369 1.00 0.00 O ATOM 1190 CB HIS A 75 9.621 -3.771 -9.018 1.00 0.00 C ATOM 1191 CG HIS A 75 10.400 -4.602 -8.047 1.00 0.00 C ATOM 1192 ND1 HIS A 75 10.966 -4.086 -6.899 1.00 0.00 N ATOM 1193 CD2 HIS A 75 10.705 -5.921 -8.052 1.00 0.00 C ATOM 1194 CE1 HIS A 75 11.585 -5.051 -6.243 1.00 0.00 C ATOM 1195 NE2 HIS A 75 11.441 -6.174 -6.921 1.00 0.00 N ATOM 0 H HIS A 75 7.212 -2.518 -9.930 1.00 0.00 H new ATOM 0 HA HIS A 75 8.392 -3.243 -7.329 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.149 -4.427 -9.749 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.308 -3.126 -9.565 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.422 -6.641 -8.806 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.118 -4.940 -5.310 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.816 -7.083 -6.649 1.00 0.00 H new ATOM 1204 N LEU A 76 8.637 -0.687 -9.332 1.00 0.00 N ATOM 1205 CA LEU A 76 9.017 0.717 -9.407 1.00 0.00 C ATOM 1206 C LEU A 76 7.873 1.622 -8.958 1.00 0.00 C ATOM 1207 O LEU A 76 7.853 2.813 -9.271 1.00 0.00 O ATOM 1208 CB LEU A 76 9.433 1.061 -10.835 1.00 0.00 C ATOM 1209 CG LEU A 76 10.934 0.963 -11.110 1.00 0.00 C ATOM 1210 CD1 LEU A 76 11.188 0.661 -12.578 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.635 2.249 -10.698 1.00 0.00 C ATOM 0 H LEU A 76 8.079 -1.016 -10.120 1.00 0.00 H new ATOM 0 HA LEU A 76 9.859 0.883 -8.735 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.909 0.396 -11.521 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.103 2.075 -11.060 1.00 0.00 H new ATOM 0 HG LEU A 76 11.342 0.144 -10.517 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.261 0.595 -12.755 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.718 -0.286 -12.841 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.767 1.458 -13.191 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.703 2.162 -10.900 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.225 3.085 -11.265 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.481 2.422 -9.633 1.00 0.00 H new ATOM 1223 N TYR A 77 6.923 1.053 -8.221 1.00 0.00 N ATOM 1224 CA TYR A 77 5.780 1.811 -7.727 1.00 0.00 C ATOM 1225 C TYR A 77 5.744 1.809 -6.202 1.00 0.00 C ATOM 1226 O TYR A 77 5.278 2.763 -5.581 1.00 0.00 O ATOM 1227 CB TYR A 77 4.477 1.229 -8.280 1.00 0.00 C ATOM 1228 CG TYR A 77 4.472 1.077 -9.785 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.783 2.150 -10.612 1.00 0.00 C ATOM 1230 CD2 TYR A 77 4.154 -0.137 -10.380 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.778 2.016 -11.987 1.00 0.00 C ATOM 1232 CE2 TYR A 77 4.147 -0.279 -11.754 1.00 0.00 C ATOM 1233 CZ TYR A 77 4.460 0.800 -12.553 1.00 0.00 C ATOM 1234 OH TYR A 77 4.454 0.662 -13.922 1.00 0.00 O ATOM 0 H TYR A 77 6.923 0.069 -7.953 1.00 0.00 H new ATOM 0 HA TYR A 77 5.884 2.841 -8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.302 0.254 -7.824 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.648 1.872 -7.985 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.033 3.104 -10.172 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.908 -0.985 -9.758 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.022 2.860 -12.615 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.898 -1.230 -12.200 1.00 0.00 H new ATOM 0 HH TYR A 77 4.210 -0.258 -14.157 1.00 0.00 H new ATOM 1244 N ILE A 78 6.242 0.730 -5.604 1.00 0.00 N ATOM 1245 CA ILE A 78 6.268 0.604 -4.152 1.00 0.00 C ATOM 1246 C ILE A 78 7.183 -0.539 -3.719 1.00 0.00 C ATOM 1247 O ILE A 78 7.166 -1.619 -4.309 1.00 0.00 O ATOM 1248 CB ILE A 78 4.855 0.367 -3.582 1.00 0.00 C ATOM 1249 CG1 ILE A 78 4.896 0.312 -2.053 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.260 -0.912 -4.150 1.00 0.00 C ATOM 1251 CD1 ILE A 78 3.538 0.095 -1.420 1.00 0.00 C ATOM 0 H ILE A 78 6.633 -0.069 -6.104 1.00 0.00 H new ATOM 0 HA ILE A 78 6.654 1.544 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 78 4.218 1.201 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.565 -0.491 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.320 1.242 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.263 -1.064 -3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.195 -0.833 -5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.895 -1.758 -3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.642 0.067 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.872 0.911 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.121 -0.849 -1.769 1.00 0.00 H new ATOM 1263 N ALA A 79 7.981 -0.292 -2.685 1.00 0.00 N ATOM 1264 CA ALA A 79 8.903 -1.299 -2.174 1.00 0.00 C ATOM 1265 C ALA A 79 9.042 -1.201 -0.658 1.00 0.00 C ATOM 1266 O ALA A 79 8.916 -0.119 -0.083 1.00 0.00 O ATOM 1267 CB ALA A 79 10.263 -1.153 -2.841 1.00 0.00 C ATOM 0 H ALA A 79 8.007 0.597 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 79 8.496 -2.282 -2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.943 -1.911 -2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.156 -1.282 -3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.666 -0.162 -2.632 1.00 0.00 H new ATOM 1273 N PRO A 80 9.304 -2.336 0.013 1.00 0.00 N ATOM 1274 CA PRO A 80 9.459 -2.374 1.471 1.00 0.00 C ATOM 1275 C PRO A 80 10.770 -1.746 1.932 1.00 0.00 C ATOM 1276 O PRO A 80 11.851 -2.168 1.521 1.00 0.00 O ATOM 1277 CB PRO A 80 9.444 -3.870 1.788 1.00 0.00 C ATOM 1278 CG PRO A 80 9.948 -4.523 0.548 1.00 0.00 C ATOM 1279 CD PRO A 80 9.468 -3.670 -0.595 1.00 0.00 C ATOM 0 HA PRO A 80 8.679 -1.807 1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.079 -4.100 2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.439 -4.212 2.036 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.036 -4.588 0.556 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.568 -5.541 0.461 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.189 -3.652 -1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.529 -4.042 -1.006 1.00 0.00 H new ATOM 1287 N LYS A 81 10.667 -0.736 2.790 1.00 0.00 N ATOM 1288 CA LYS A 81 11.845 -0.050 3.310 1.00 0.00 C ATOM 1289 C LYS A 81 12.308 -0.681 4.618 1.00 0.00 C ATOM 1290 O LYS A 81 11.541 -0.784 5.575 1.00 0.00 O ATOM 1291 CB LYS A 81 11.543 1.434 3.525 1.00 0.00 C ATOM 1292 CG LYS A 81 12.785 2.282 3.744 1.00 0.00 C ATOM 1293 CD LYS A 81 13.224 2.969 2.461 1.00 0.00 C ATOM 1294 CE LYS A 81 14.582 3.631 2.619 1.00 0.00 C ATOM 1295 NZ LYS A 81 15.437 3.441 1.414 1.00 0.00 N ATOM 0 H LYS A 81 9.780 -0.374 3.140 1.00 0.00 H new ATOM 0 HA LYS A 81 12.645 -0.148 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.001 1.815 2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.884 1.541 4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.585 3.032 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.594 1.654 4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.266 2.239 1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.484 3.717 2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.447 4.697 2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.088 3.218 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.355 3.908 1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.588 2.425 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.967 3.858 0.585 1.00 0.00 H new