USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 582 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 26 CYS SG : rot -139:sc= 0.171 USER MOD Set 1.2: A 28 HIS : no HD1:sc= -0.516 K(o=1.8,f=0.4) USER MOD Set 1.3: A 30 TYR OH : rot 0:sc= 0.129 USER MOD Set 1.4: A 51 CYS SG : rot -49:sc= 1.52 USER MOD Set 1.5: A 53 GLN : amide:sc=-0.00423 K(o=1.8,f=-0.5) USER MOD Set 1.6: A 56 CYS SG : rot -159:sc= 0.499 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 52:sc= -0.974 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.705 USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 0.0668 (180deg=0.0668) USER MOD Single : A 17 MET CE :methyl -172:sc= -0.0701 (180deg=-0.231) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc=-0.000953 (180deg=-0.083) USER MOD Single : A 22 LYS NZ :NH3+ -109:sc= -0.779 (180deg=-3.22!) USER MOD Single : A 23 ASN : amide:sc= -2.9 K(o=-2.9,f=-4.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 142:sc= -1.33 (180deg=-5.22!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00759) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-4.9!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 1.003 9.556 7.879 1.00 0.00 N ATOM 67 CA PHE A 8 0.376 8.244 7.993 1.00 0.00 C ATOM 68 C PHE A 8 1.396 7.188 8.408 1.00 0.00 C ATOM 69 O PHE A 8 2.367 6.931 7.696 1.00 0.00 O ATOM 70 CB PHE A 8 -0.273 7.848 6.665 1.00 0.00 C ATOM 71 CG PHE A 8 -1.603 8.504 6.429 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.748 8.018 7.039 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.709 9.607 5.596 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.974 8.620 6.823 1.00 0.00 C ATOM 75 CE2 PHE A 8 -2.931 10.213 5.377 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.065 9.719 5.991 1.00 0.00 C ATOM 0 HA PHE A 8 -0.394 8.303 8.762 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.401 8.107 5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.401 6.766 6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.682 7.159 7.691 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.826 9.997 5.112 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.859 8.231 7.304 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.999 11.072 4.726 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.021 10.191 5.821 1.00 0.00 H new ATOM 86 N THR A 9 1.169 6.579 9.568 1.00 0.00 N ATOM 87 CA THR A 9 2.068 5.552 10.080 1.00 0.00 C ATOM 88 C THR A 9 1.327 4.242 10.319 1.00 0.00 C ATOM 89 O THR A 9 0.231 4.231 10.881 1.00 0.00 O ATOM 90 CB THR A 9 2.737 5.997 11.395 1.00 0.00 C ATOM 91 OG1 THR A 9 2.035 7.115 11.948 1.00 0.00 O ATOM 92 CG2 THR A 9 4.193 6.371 11.161 1.00 0.00 C ATOM 0 H THR A 9 0.371 6.779 10.170 1.00 0.00 H new ATOM 0 HA THR A 9 2.837 5.398 9.323 1.00 0.00 H new ATOM 0 HB THR A 9 2.700 5.163 12.096 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.465 7.390 12.784 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.645 6.682 12.103 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.731 5.509 10.767 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.247 7.191 10.445 1.00 0.00 H new ATOM 100 N CYS A 10 1.931 3.140 9.889 1.00 0.00 N ATOM 101 CA CYS A 10 1.327 1.822 10.057 1.00 0.00 C ATOM 102 C CYS A 10 1.571 1.287 11.464 1.00 0.00 C ATOM 103 O CYS A 10 2.695 1.282 11.966 1.00 0.00 O ATOM 104 CB CYS A 10 1.888 0.846 9.022 1.00 0.00 C ATOM 105 SG CYS A 10 0.933 -0.680 8.852 1.00 0.00 S ATOM 0 H CYS A 10 2.838 3.132 9.422 1.00 0.00 H new ATOM 0 HA CYS A 10 0.252 1.920 9.908 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.931 1.345 8.054 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.912 0.592 9.295 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.319 -0.389 8.657 1.00 0.00 H new ATOM 111 N PRO A 11 0.494 0.826 12.117 1.00 0.00 N ATOM 112 CA PRO A 11 0.566 0.281 13.476 1.00 0.00 C ATOM 113 C PRO A 11 1.291 -1.060 13.525 1.00 0.00 C ATOM 114 O PRO A 11 1.624 -1.557 14.601 1.00 0.00 O ATOM 115 CB PRO A 11 -0.904 0.108 13.867 1.00 0.00 C ATOM 116 CG PRO A 11 -1.625 -0.045 12.572 1.00 0.00 C ATOM 117 CD PRO A 11 -0.876 0.801 11.579 1.00 0.00 C ATOM 0 HA PRO A 11 1.126 0.932 14.147 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.044 -0.766 14.504 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.270 0.971 14.424 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.646 -1.089 12.258 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.661 0.282 12.661 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.907 0.369 10.579 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.298 1.804 11.506 1.00 0.00 H new ATOM 125 N ILE A 12 1.534 -1.639 12.354 1.00 0.00 N ATOM 126 CA ILE A 12 2.221 -2.922 12.265 1.00 0.00 C ATOM 127 C ILE A 12 3.710 -2.730 11.997 1.00 0.00 C ATOM 128 O ILE A 12 4.551 -3.053 12.837 1.00 0.00 O ATOM 129 CB ILE A 12 1.622 -3.806 11.155 1.00 0.00 C ATOM 130 CG1 ILE A 12 0.119 -3.989 11.376 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.325 -5.154 11.115 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.595 -4.601 10.191 1.00 0.00 C ATOM 0 H ILE A 12 1.266 -1.241 11.454 1.00 0.00 H new ATOM 0 HA ILE A 12 2.087 -3.419 13.226 1.00 0.00 H new ATOM 0 HB ILE A 12 1.772 -3.312 10.195 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.037 -4.621 12.250 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.328 -3.020 11.599 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.891 -5.768 10.326 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.386 -5.005 10.916 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.202 -5.657 12.074 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.656 -4.701 10.418 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.469 -3.959 9.319 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.174 -5.584 9.981 1.00 0.00 H new ATOM 144 N THR A 13 4.031 -2.199 10.822 1.00 0.00 N ATOM 145 CA THR A 13 5.419 -1.962 10.443 1.00 0.00 C ATOM 146 C THR A 13 6.022 -0.819 11.250 1.00 0.00 C ATOM 147 O THR A 13 7.241 -0.715 11.383 1.00 0.00 O ATOM 148 CB THR A 13 5.544 -1.638 8.942 1.00 0.00 C ATOM 149 OG1 THR A 13 4.864 -0.412 8.648 1.00 0.00 O ATOM 150 CG2 THR A 13 4.964 -2.761 8.095 1.00 0.00 C ATOM 0 H THR A 13 3.348 -1.925 10.115 1.00 0.00 H new ATOM 0 HA THR A 13 5.966 -2.881 10.656 1.00 0.00 H new ATOM 0 HB THR A 13 6.602 -1.534 8.702 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.949 -0.212 7.692 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.064 -2.509 7.039 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.502 -3.686 8.300 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.910 -2.893 8.338 1.00 0.00 H new ATOM 158 N LYS A 14 5.161 0.038 11.789 1.00 0.00 N ATOM 159 CA LYS A 14 5.608 1.174 12.586 1.00 0.00 C ATOM 160 C LYS A 14 6.434 2.139 11.742 1.00 0.00 C ATOM 161 O LYS A 14 7.466 2.640 12.188 1.00 0.00 O ATOM 162 CB LYS A 14 6.432 0.691 13.782 1.00 0.00 C ATOM 163 CG LYS A 14 5.771 -0.432 14.563 1.00 0.00 C ATOM 164 CD LYS A 14 4.392 -0.029 15.058 1.00 0.00 C ATOM 165 CE LYS A 14 4.151 -0.504 16.482 1.00 0.00 C ATOM 166 NZ LYS A 14 2.863 0.009 17.028 1.00 0.00 N ATOM 0 H LYS A 14 4.149 -0.033 11.688 1.00 0.00 H new ATOM 0 HA LYS A 14 4.726 1.701 12.950 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.406 0.352 13.428 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.611 1.532 14.452 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.688 -1.316 13.931 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.398 -0.705 15.412 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.290 1.055 15.013 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.631 -0.448 14.400 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.147 -1.594 16.505 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.972 -0.174 17.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.711 -0.378 17.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.896 1.047 17.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.082 -0.284 16.407 1.00 0.00 H new ATOM 180 N GLU A 15 5.972 2.396 10.522 1.00 0.00 N ATOM 181 CA GLU A 15 6.669 3.303 9.618 1.00 0.00 C ATOM 182 C GLU A 15 5.694 3.953 8.641 1.00 0.00 C ATOM 183 O GLU A 15 4.523 3.578 8.575 1.00 0.00 O ATOM 184 CB GLU A 15 7.757 2.552 8.846 1.00 0.00 C ATOM 185 CG GLU A 15 7.213 1.489 7.907 1.00 0.00 C ATOM 186 CD GLU A 15 7.890 1.507 6.550 1.00 0.00 C ATOM 187 OE1 GLU A 15 7.736 2.512 5.825 1.00 0.00 O ATOM 188 OE2 GLU A 15 8.572 0.517 6.214 1.00 0.00 O ATOM 0 H GLU A 15 5.119 1.989 10.138 1.00 0.00 H new ATOM 0 HA GLU A 15 7.133 4.087 10.217 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.342 3.269 8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.437 2.083 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.344 0.507 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.141 1.639 7.776 1.00 0.00 H new ATOM 195 N GLU A 16 6.185 4.929 7.884 1.00 0.00 N ATOM 196 CA GLU A 16 5.357 5.633 6.912 1.00 0.00 C ATOM 197 C GLU A 16 4.677 4.649 5.964 1.00 0.00 C ATOM 198 O GLU A 16 5.230 3.598 5.642 1.00 0.00 O ATOM 199 CB GLU A 16 6.202 6.627 6.113 1.00 0.00 C ATOM 200 CG GLU A 16 5.409 7.805 5.575 1.00 0.00 C ATOM 201 CD GLU A 16 5.458 7.900 4.062 1.00 0.00 C ATOM 202 OE1 GLU A 16 5.203 6.876 3.394 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.751 8.999 3.546 1.00 0.00 O ATOM 0 H GLU A 16 7.152 5.250 7.925 1.00 0.00 H new ATOM 0 HA GLU A 16 4.586 6.179 7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.006 7.000 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.671 6.104 5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.371 7.716 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.798 8.727 6.006 1.00 0.00 H new ATOM 210 N MET A 17 3.473 4.999 5.522 1.00 0.00 N ATOM 211 CA MET A 17 2.718 4.147 4.610 1.00 0.00 C ATOM 212 C MET A 17 2.703 4.735 3.203 1.00 0.00 C ATOM 213 O MET A 17 2.694 5.954 3.028 1.00 0.00 O ATOM 214 CB MET A 17 1.285 3.968 5.116 1.00 0.00 C ATOM 215 CG MET A 17 1.203 3.487 6.555 1.00 0.00 C ATOM 216 SD MET A 17 -0.315 2.577 6.899 1.00 0.00 S ATOM 217 CE MET A 17 -1.547 3.749 6.335 1.00 0.00 C ATOM 0 H MET A 17 3.000 5.865 5.780 1.00 0.00 H new ATOM 0 HA MET A 17 3.207 3.174 4.572 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.757 4.917 5.028 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.768 3.255 4.474 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.061 2.850 6.770 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.267 4.345 7.225 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.540 3.394 6.611 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.366 4.718 6.799 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.485 3.849 5.251 1.00 0.00 H new ATOM 227 N LYS A 18 2.701 3.862 2.202 1.00 0.00 N ATOM 228 CA LYS A 18 2.687 4.294 0.809 1.00 0.00 C ATOM 229 C LYS A 18 1.446 3.775 0.091 1.00 0.00 C ATOM 230 O LYS A 18 0.916 4.430 -0.807 1.00 0.00 O ATOM 231 CB LYS A 18 3.947 3.806 0.090 1.00 0.00 C ATOM 232 CG LYS A 18 5.238 4.250 0.755 1.00 0.00 C ATOM 233 CD LYS A 18 5.559 5.701 0.436 1.00 0.00 C ATOM 234 CE LYS A 18 6.587 5.812 -0.680 1.00 0.00 C ATOM 235 NZ LYS A 18 7.253 7.144 -0.690 1.00 0.00 N ATOM 0 H LYS A 18 2.709 2.850 2.329 1.00 0.00 H new ATOM 0 HA LYS A 18 2.665 5.384 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.929 2.717 0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.933 4.171 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.155 4.124 1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.058 3.613 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.646 6.221 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.936 6.196 1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.338 5.031 -0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.100 5.642 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.946 7.180 -1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.540 7.888 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.739 7.296 0.217 1.00 0.00 H new ATOM 249 N LYS A 19 0.985 2.595 0.493 1.00 0.00 N ATOM 250 CA LYS A 19 -0.196 1.989 -0.109 1.00 0.00 C ATOM 251 C LYS A 19 -1.251 1.684 0.949 1.00 0.00 C ATOM 252 O LYS A 19 -1.361 0.563 1.446 1.00 0.00 O ATOM 253 CB LYS A 19 0.185 0.705 -0.849 1.00 0.00 C ATOM 254 CG LYS A 19 0.618 0.936 -2.286 1.00 0.00 C ATOM 255 CD LYS A 19 2.021 0.408 -2.538 1.00 0.00 C ATOM 256 CE LYS A 19 2.455 0.645 -3.977 1.00 0.00 C ATOM 257 NZ LYS A 19 1.665 -0.175 -4.937 1.00 0.00 N ATOM 0 H LYS A 19 1.412 2.039 1.234 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.615 2.700 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.994 0.211 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.666 0.024 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.083 0.446 -2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.584 2.002 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.722 0.896 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.055 -0.659 -2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.341 1.701 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.514 0.407 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.087 -0.103 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.670 -1.169 -4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.686 0.173 -4.967 1.00 0.00 H new ATOM 271 N PRO A 20 -2.048 2.704 1.303 1.00 0.00 N ATOM 272 CA PRO A 20 -3.109 2.568 2.305 1.00 0.00 C ATOM 273 C PRO A 20 -4.267 1.708 1.810 1.00 0.00 C ATOM 274 O PRO A 20 -4.806 1.938 0.727 1.00 0.00 O ATOM 275 CB PRO A 20 -3.572 4.010 2.529 1.00 0.00 C ATOM 276 CG PRO A 20 -3.228 4.719 1.264 1.00 0.00 C ATOM 277 CD PRO A 20 -1.973 4.067 0.753 1.00 0.00 C ATOM 0 HA PRO A 20 -2.754 2.074 3.210 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.642 4.055 2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.068 4.459 3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.036 4.634 0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.070 5.783 1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.939 4.059 -0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.080 4.590 1.096 1.00 0.00 H new ATOM 285 N VAL A 21 -4.645 0.715 2.609 1.00 0.00 N ATOM 286 CA VAL A 21 -5.740 -0.179 2.253 1.00 0.00 C ATOM 287 C VAL A 21 -6.824 -0.176 3.325 1.00 0.00 C ATOM 288 O VAL A 21 -6.552 -0.431 4.499 1.00 0.00 O ATOM 289 CB VAL A 21 -5.242 -1.622 2.046 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.326 -1.702 0.834 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.533 -2.124 3.295 1.00 0.00 C ATOM 0 H VAL A 21 -4.208 0.510 3.508 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.158 0.191 1.317 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.104 -2.263 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.984 -2.729 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.871 -1.385 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.466 -1.049 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.188 -3.145 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.679 -1.482 3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.224 -2.105 4.138 1.00 0.00 H new ATOM 301 N LYS A 22 -8.053 0.115 2.915 1.00 0.00 N ATOM 302 CA LYS A 22 -9.181 0.150 3.839 1.00 0.00 C ATOM 303 C LYS A 22 -9.972 -1.153 3.782 1.00 0.00 C ATOM 304 O LYS A 22 -10.064 -1.788 2.733 1.00 0.00 O ATOM 305 CB LYS A 22 -10.098 1.331 3.513 1.00 0.00 C ATOM 306 CG LYS A 22 -11.374 1.356 4.336 1.00 0.00 C ATOM 307 CD LYS A 22 -12.505 0.625 3.633 1.00 0.00 C ATOM 308 CE LYS A 22 -13.545 1.595 3.093 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.585 0.900 2.284 1.00 0.00 N ATOM 0 H LYS A 22 -8.294 0.330 1.948 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.788 0.272 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.552 2.260 3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.359 1.297 2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.191 0.896 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.668 2.389 4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.101 0.030 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.979 -0.068 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.020 2.117 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.053 2.351 2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.462 1.140 1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.491 -0.128 2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.529 1.202 2.599 1.00 0.00 H new ATOM 323 N ASN A 23 -10.543 -1.543 4.917 1.00 0.00 N ATOM 324 CA ASN A 23 -11.327 -2.770 4.995 1.00 0.00 C ATOM 325 C ASN A 23 -12.822 -2.461 4.991 1.00 0.00 C ATOM 326 O ASN A 23 -13.320 -1.738 5.853 1.00 0.00 O ATOM 327 CB ASN A 23 -10.961 -3.555 6.257 1.00 0.00 C ATOM 328 CG ASN A 23 -10.734 -5.028 5.976 1.00 0.00 C ATOM 329 OD1 ASN A 23 -10.065 -5.390 5.009 1.00 0.00 O ATOM 330 ND2 ASN A 23 -11.292 -5.884 6.824 1.00 0.00 N ATOM 0 H ASN A 23 -10.478 -1.027 5.795 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.096 -3.376 4.119 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.060 -3.129 6.698 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.758 -3.447 6.993 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.174 -6.888 6.687 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.839 -5.538 7.612 1.00 0.00 H new ATOM 337 N LYS A 24 -13.531 -3.016 4.014 1.00 0.00 N ATOM 338 CA LYS A 24 -14.969 -2.802 3.896 1.00 0.00 C ATOM 339 C LYS A 24 -15.701 -3.341 5.121 1.00 0.00 C ATOM 340 O LYS A 24 -16.809 -2.906 5.435 1.00 0.00 O ATOM 341 CB LYS A 24 -15.504 -3.478 2.631 1.00 0.00 C ATOM 342 CG LYS A 24 -15.269 -4.979 2.598 1.00 0.00 C ATOM 343 CD LYS A 24 -15.139 -5.491 1.174 1.00 0.00 C ATOM 344 CE LYS A 24 -16.478 -5.478 0.452 1.00 0.00 C ATOM 345 NZ LYS A 24 -16.773 -6.788 -0.192 1.00 0.00 N ATOM 0 H LYS A 24 -13.134 -3.617 3.292 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.147 -1.729 3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.574 -3.284 2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.031 -3.025 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.364 -5.219 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.094 -5.489 3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.424 -4.875 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.741 -6.506 1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.270 -5.235 1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.475 -4.694 -0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.694 -6.739 -0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.031 -7.009 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.801 -7.533 0.533 1.00 0.00 H new ATOM 359 N VAL A 25 -15.073 -4.288 5.811 1.00 0.00 N ATOM 360 CA VAL A 25 -15.664 -4.883 7.004 1.00 0.00 C ATOM 361 C VAL A 25 -15.706 -3.883 8.154 1.00 0.00 C ATOM 362 O VAL A 25 -16.780 -3.471 8.594 1.00 0.00 O ATOM 363 CB VAL A 25 -14.884 -6.133 7.453 1.00 0.00 C ATOM 364 CG1 VAL A 25 -15.621 -6.849 8.574 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.651 -7.067 6.274 1.00 0.00 C ATOM 0 H VAL A 25 -14.156 -4.659 5.564 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.681 -5.173 6.742 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.913 -5.817 7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.055 -7.729 8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.731 -6.177 9.425 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.607 -7.155 8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.099 -7.945 6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.611 -7.378 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.077 -6.548 5.507 1.00 0.00 H new ATOM 375 N CYS A 26 -14.530 -3.496 8.637 1.00 0.00 N ATOM 376 CA CYS A 26 -14.431 -2.545 9.737 1.00 0.00 C ATOM 377 C CYS A 26 -14.376 -1.112 9.214 1.00 0.00 C ATOM 378 O CYS A 26 -15.253 -0.300 9.504 1.00 0.00 O ATOM 379 CB CYS A 26 -13.190 -2.838 10.583 1.00 0.00 C ATOM 380 SG CYS A 26 -12.862 -1.599 11.877 1.00 0.00 S ATOM 0 H CYS A 26 -13.632 -3.827 8.283 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.320 -2.653 10.358 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.306 -3.815 11.052 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.322 -2.900 9.926 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.586 -1.355 11.931 1.00 0.00 H new ATOM 385 N GLY A 27 -13.338 -0.810 8.440 1.00 0.00 N ATOM 386 CA GLY A 27 -13.187 0.523 7.887 1.00 0.00 C ATOM 387 C GLY A 27 -11.797 1.087 8.104 1.00 0.00 C ATOM 388 O GLY A 27 -11.387 2.028 7.423 1.00 0.00 O ATOM 0 H GLY A 27 -12.599 -1.465 8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.402 0.496 6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.921 1.188 8.343 1.00 0.00 H new ATOM 392 N HIS A 28 -11.068 0.512 9.056 1.00 0.00 N ATOM 393 CA HIS A 28 -9.716 0.964 9.362 1.00 0.00 C ATOM 394 C HIS A 28 -8.830 0.905 8.121 1.00 0.00 C ATOM 395 O HIS A 28 -9.215 0.342 7.096 1.00 0.00 O ATOM 396 CB HIS A 28 -9.110 0.111 10.476 1.00 0.00 C ATOM 397 CG HIS A 28 -9.377 0.642 11.850 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.839 -0.144 12.885 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.244 1.890 12.359 1.00 0.00 C ATOM 400 CE1 HIS A 28 -9.980 0.597 13.969 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.625 1.835 13.677 1.00 0.00 N ATOM 0 H HIS A 28 -11.391 -0.268 9.628 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.773 1.999 9.698 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.507 -0.902 10.403 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.033 0.043 10.325 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.902 2.766 11.827 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.327 0.250 14.931 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.633 2.622 14.325 1.00 0.00 H new ATOM 409 N THR A 29 -7.641 1.491 8.220 1.00 0.00 N ATOM 410 CA THR A 29 -6.701 1.507 7.106 1.00 0.00 C ATOM 411 C THR A 29 -5.319 1.040 7.546 1.00 0.00 C ATOM 412 O THR A 29 -4.877 1.335 8.657 1.00 0.00 O ATOM 413 CB THR A 29 -6.583 2.914 6.490 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.566 3.784 7.064 1.00 0.00 O ATOM 415 CG2 THR A 29 -6.765 2.862 4.981 1.00 0.00 C ATOM 0 H THR A 29 -7.306 1.961 9.061 1.00 0.00 H new ATOM 0 HA THR A 29 -7.091 0.821 6.354 1.00 0.00 H new ATOM 0 HB THR A 29 -5.586 3.298 6.707 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.483 4.677 6.669 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.677 3.867 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.998 2.223 4.544 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.750 2.459 4.747 1.00 0.00 H new ATOM 423 N TYR A 30 -4.639 0.310 6.668 1.00 0.00 N ATOM 424 CA TYR A 30 -3.306 -0.199 6.967 1.00 0.00 C ATOM 425 C TYR A 30 -2.423 -0.179 5.723 1.00 0.00 C ATOM 426 O TYR A 30 -2.872 0.184 4.637 1.00 0.00 O ATOM 427 CB TYR A 30 -3.394 -1.622 7.521 1.00 0.00 C ATOM 428 CG TYR A 30 -4.584 -1.848 8.426 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.601 -1.347 9.722 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.692 -2.560 7.984 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.686 -1.552 10.552 1.00 0.00 C ATOM 432 CE2 TYR A 30 -6.782 -2.768 8.807 1.00 0.00 C ATOM 433 CZ TYR A 30 -6.774 -2.262 10.090 1.00 0.00 C ATOM 434 OH TYR A 30 -7.858 -2.467 10.914 1.00 0.00 O ATOM 0 H TYR A 30 -4.989 0.058 5.744 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.857 0.450 7.719 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.443 -2.324 6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.481 -1.845 8.073 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.752 -0.788 10.086 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.701 -2.958 6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.682 -1.158 11.558 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.636 -3.324 8.448 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.692 -2.046 11.783 1.00 0.00 H new ATOM 444 N GLU A 31 -1.165 -0.574 5.892 1.00 0.00 N ATOM 445 CA GLU A 31 -0.218 -0.601 4.783 1.00 0.00 C ATOM 446 C GLU A 31 -0.338 -1.904 3.998 1.00 0.00 C ATOM 447 O GLU A 31 -0.624 -2.958 4.565 1.00 0.00 O ATOM 448 CB GLU A 31 1.212 -0.434 5.300 1.00 0.00 C ATOM 449 CG GLU A 31 2.275 -0.703 4.248 1.00 0.00 C ATOM 450 CD GLU A 31 3.523 0.133 4.452 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.653 0.751 5.530 1.00 0.00 O ATOM 452 OE2 GLU A 31 4.370 0.170 3.535 1.00 0.00 O ATOM 0 H GLU A 31 -0.778 -0.879 6.785 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.454 0.228 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.336 0.580 5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.366 -1.110 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.543 -1.759 4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.863 -0.498 3.260 1.00 0.00 H new ATOM 459 N GLU A 32 -0.117 -1.822 2.689 1.00 0.00 N ATOM 460 CA GLU A 32 -0.201 -2.995 1.826 1.00 0.00 C ATOM 461 C GLU A 32 0.703 -4.113 2.337 1.00 0.00 C ATOM 462 O GLU A 32 0.226 -5.152 2.794 1.00 0.00 O ATOM 463 CB GLU A 32 0.184 -2.628 0.392 1.00 0.00 C ATOM 464 CG GLU A 32 -0.318 -3.618 -0.645 1.00 0.00 C ATOM 465 CD GLU A 32 -0.003 -3.187 -2.065 1.00 0.00 C ATOM 466 OE1 GLU A 32 -0.167 -1.987 -2.369 1.00 0.00 O ATOM 467 OE2 GLU A 32 0.407 -4.048 -2.870 1.00 0.00 O ATOM 0 H GLU A 32 0.121 -0.957 2.204 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.231 -3.351 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.212 -1.639 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.270 -2.561 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.131 -4.593 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.396 -3.737 -0.536 1.00 0.00 H new ATOM 474 N ASP A 33 2.010 -3.892 2.256 1.00 0.00 N ATOM 475 CA ASP A 33 2.982 -4.880 2.710 1.00 0.00 C ATOM 476 C ASP A 33 2.657 -5.351 4.124 1.00 0.00 C ATOM 477 O ASP A 33 2.944 -6.491 4.490 1.00 0.00 O ATOM 478 CB ASP A 33 4.395 -4.295 2.666 1.00 0.00 C ATOM 479 CG ASP A 33 4.804 -3.875 1.268 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.092 -4.236 0.307 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.836 -3.184 1.135 1.00 0.00 O ATOM 0 H ASP A 33 2.421 -3.038 1.880 1.00 0.00 H new ATOM 0 HA ASP A 33 2.932 -5.738 2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.449 -3.434 3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.103 -5.034 3.042 1.00 0.00 H new ATOM 486 N ALA A 34 2.059 -4.466 4.915 1.00 0.00 N ATOM 487 CA ALA A 34 1.695 -4.792 6.288 1.00 0.00 C ATOM 488 C ALA A 34 0.566 -5.817 6.328 1.00 0.00 C ATOM 489 O ALA A 34 0.738 -6.923 6.842 1.00 0.00 O ATOM 490 CB ALA A 34 1.293 -3.532 7.041 1.00 0.00 C ATOM 0 H ALA A 34 1.816 -3.518 4.628 1.00 0.00 H new ATOM 0 HA ALA A 34 2.566 -5.230 6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.024 -3.790 8.065 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.129 -2.832 7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.439 -3.070 6.547 1.00 0.00 H new ATOM 496 N ILE A 35 -0.587 -5.443 5.784 1.00 0.00 N ATOM 497 CA ILE A 35 -1.742 -6.331 5.758 1.00 0.00 C ATOM 498 C ILE A 35 -1.460 -7.577 4.926 1.00 0.00 C ATOM 499 O ILE A 35 -2.125 -8.601 5.076 1.00 0.00 O ATOM 500 CB ILE A 35 -2.986 -5.620 5.191 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.233 -6.481 5.401 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.792 -5.309 3.715 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.544 -6.749 6.857 1.00 0.00 C ATOM 0 H ILE A 35 -0.746 -4.531 5.355 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.938 -6.623 6.790 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.123 -4.680 5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.088 -5.986 4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.099 -7.432 4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.679 -4.807 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.925 -4.660 3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.632 -6.237 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.440 -7.365 6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.706 -7.272 7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.710 -5.804 7.374 1.00 0.00 H new ATOM 515 N VAL A 36 -0.466 -7.482 4.047 1.00 0.00 N ATOM 516 CA VAL A 36 -0.093 -8.603 3.193 1.00 0.00 C ATOM 517 C VAL A 36 0.869 -9.544 3.909 1.00 0.00 C ATOM 518 O VAL A 36 0.784 -10.764 3.764 1.00 0.00 O ATOM 519 CB VAL A 36 0.561 -8.117 1.885 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.126 -9.293 1.102 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.441 -7.340 1.046 1.00 0.00 C ATOM 0 H VAL A 36 0.094 -6.641 3.908 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.012 -9.140 2.955 1.00 0.00 H new ATOM 0 HB VAL A 36 1.385 -7.449 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.584 -8.931 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.877 -9.804 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.322 -9.988 0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.038 -7.004 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.287 -7.983 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.793 -6.475 1.608 1.00 0.00 H new ATOM 531 N ARG A 37 1.783 -8.970 4.684 1.00 0.00 N ATOM 532 CA ARG A 37 2.761 -9.758 5.424 1.00 0.00 C ATOM 533 C ARG A 37 2.160 -10.296 6.719 1.00 0.00 C ATOM 534 O ARG A 37 2.617 -11.304 7.255 1.00 0.00 O ATOM 535 CB ARG A 37 3.998 -8.912 5.736 1.00 0.00 C ATOM 536 CG ARG A 37 3.798 -7.945 6.892 1.00 0.00 C ATOM 537 CD ARG A 37 5.056 -7.136 7.165 1.00 0.00 C ATOM 538 NE ARG A 37 5.489 -7.250 8.556 1.00 0.00 N ATOM 539 CZ ARG A 37 6.685 -6.865 8.987 1.00 0.00 C ATOM 540 NH1 ARG A 37 7.563 -6.345 8.141 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.004 -7.000 10.268 1.00 0.00 N ATOM 0 H ARG A 37 1.867 -7.962 4.816 1.00 0.00 H new ATOM 0 HA ARG A 37 3.054 -10.604 4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.832 -9.574 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.276 -8.348 4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.972 -7.270 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.519 -8.500 7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.856 -7.476 6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.872 -6.088 6.927 1.00 0.00 H new ATOM 0 HE ARG A 37 4.837 -7.647 9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.321 -6.239 7.156 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.481 -6.050 8.475 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.331 -7.399 10.922 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.922 -6.704 10.599 1.00 0.00 H new ATOM 555 N MET A 38 1.132 -9.615 7.215 1.00 0.00 N ATOM 556 CA MET A 38 0.467 -10.025 8.447 1.00 0.00 C ATOM 557 C MET A 38 -0.403 -11.256 8.211 1.00 0.00 C ATOM 558 O MET A 38 -0.246 -12.276 8.883 1.00 0.00 O ATOM 559 CB MET A 38 -0.387 -8.881 8.996 1.00 0.00 C ATOM 560 CG MET A 38 -1.102 -9.225 10.293 1.00 0.00 C ATOM 561 SD MET A 38 -1.272 -7.805 11.390 1.00 0.00 S ATOM 562 CE MET A 38 -2.951 -7.297 11.030 1.00 0.00 C ATOM 0 H MET A 38 0.741 -8.777 6.783 1.00 0.00 H new ATOM 0 HA MET A 38 1.235 -10.279 9.178 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.248 -8.011 9.161 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.127 -8.599 8.247 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.091 -9.623 10.064 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.553 -10.013 10.808 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.437 -6.968 11.949 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.937 -6.476 10.313 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.503 -8.137 10.608 1.00 0.00 H new ATOM 572 N ILE A 39 -1.318 -11.154 7.254 1.00 0.00 N ATOM 573 CA ILE A 39 -2.211 -12.259 6.930 1.00 0.00 C ATOM 574 C ILE A 39 -1.424 -13.520 6.591 1.00 0.00 C ATOM 575 O ILE A 39 -1.708 -14.599 7.110 1.00 0.00 O ATOM 576 CB ILE A 39 -3.134 -11.910 5.748 1.00 0.00 C ATOM 577 CG1 ILE A 39 -3.969 -10.669 6.073 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.037 -13.088 5.414 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.628 -10.049 4.861 1.00 0.00 C ATOM 0 H ILE A 39 -1.461 -10.317 6.689 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.821 -12.441 7.815 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.516 -11.692 4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.738 -10.938 6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.330 -9.925 6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.683 -12.825 4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.426 -13.950 5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.649 -13.334 6.281 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.203 -9.175 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.863 -9.748 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.294 -10.777 4.397 1.00 0.00 H new ATOM 591 N GLU A 40 -0.433 -13.376 5.717 1.00 0.00 N ATOM 592 CA GLU A 40 0.396 -14.504 5.309 1.00 0.00 C ATOM 593 C GLU A 40 1.132 -15.099 6.506 1.00 0.00 C ATOM 594 O GLU A 40 1.324 -16.312 6.590 1.00 0.00 O ATOM 595 CB GLU A 40 1.403 -14.066 4.243 1.00 0.00 C ATOM 596 CG GLU A 40 0.757 -13.616 2.944 1.00 0.00 C ATOM 597 CD GLU A 40 0.852 -14.664 1.851 1.00 0.00 C ATOM 598 OE1 GLU A 40 0.444 -15.818 2.100 1.00 0.00 O ATOM 599 OE2 GLU A 40 1.335 -14.331 0.749 1.00 0.00 O ATOM 0 H GLU A 40 -0.185 -12.489 5.278 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.257 -15.269 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.008 -13.251 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.081 -14.893 4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.292 -13.381 3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.235 -12.697 2.604 1.00 0.00 H new ATOM 606 N SER A 41 1.541 -14.236 7.430 1.00 0.00 N ATOM 607 CA SER A 41 2.260 -14.675 8.621 1.00 0.00 C ATOM 608 C SER A 41 1.305 -15.305 9.630 1.00 0.00 C ATOM 609 O SER A 41 1.712 -16.112 10.466 1.00 0.00 O ATOM 610 CB SER A 41 2.994 -13.496 9.263 1.00 0.00 C ATOM 611 OG SER A 41 3.820 -13.929 10.329 1.00 0.00 O ATOM 0 H SER A 41 1.387 -13.229 7.377 1.00 0.00 H new ATOM 0 HA SER A 41 2.989 -15.427 8.319 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.600 -12.989 8.512 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.270 -12.770 9.632 1.00 0.00 H new ATOM 0 HG SER A 41 4.279 -13.157 10.721 1.00 0.00 H new ATOM 617 N ARG A 42 0.033 -14.929 9.546 1.00 0.00 N ATOM 618 CA ARG A 42 -0.980 -15.456 10.452 1.00 0.00 C ATOM 619 C ARG A 42 -1.465 -16.826 9.988 1.00 0.00 C ATOM 620 O ARG A 42 -1.425 -17.797 10.743 1.00 0.00 O ATOM 621 CB ARG A 42 -2.162 -14.489 10.546 1.00 0.00 C ATOM 622 CG ARG A 42 -1.807 -13.151 11.173 1.00 0.00 C ATOM 623 CD ARG A 42 -2.247 -13.083 12.627 1.00 0.00 C ATOM 624 NE ARG A 42 -1.566 -12.016 13.356 1.00 0.00 N ATOM 625 CZ ARG A 42 -1.934 -10.741 13.306 1.00 0.00 C ATOM 626 NH1 ARG A 42 -2.973 -10.375 12.567 1.00 0.00 N ATOM 627 NH2 ARG A 42 -1.264 -9.828 13.997 1.00 0.00 N ATOM 0 H ARG A 42 -0.320 -14.262 8.860 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.529 -15.565 11.438 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.560 -14.318 9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.956 -14.955 11.130 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.730 -12.992 11.110 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.281 -12.347 10.610 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.324 -12.923 12.673 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.046 -14.038 13.112 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.764 -12.264 13.935 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.492 -11.074 12.035 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.253 -9.395 12.531 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.465 -10.105 14.568 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.548 -8.849 13.958 1.00 0.00 H new ATOM 641 N GLN A 43 -1.923 -16.895 8.742 1.00 0.00 N ATOM 642 CA GLN A 43 -2.417 -18.146 8.179 1.00 0.00 C ATOM 643 C GLN A 43 -1.398 -19.266 8.362 1.00 0.00 C ATOM 644 O GLN A 43 -1.729 -20.350 8.842 1.00 0.00 O ATOM 645 CB GLN A 43 -2.737 -17.970 6.693 1.00 0.00 C ATOM 646 CG GLN A 43 -4.211 -18.140 6.364 1.00 0.00 C ATOM 647 CD GLN A 43 -4.490 -19.399 5.567 1.00 0.00 C ATOM 648 OE1 GLN A 43 -4.577 -20.494 6.125 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.631 -19.251 4.255 1.00 0.00 N ATOM 0 H GLN A 43 -1.962 -16.100 8.104 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.329 -18.419 8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.414 -16.978 6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.159 -18.693 6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.785 -18.166 7.290 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.556 -17.274 5.800 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.551 -18.325 3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.819 -20.063 3.667 1.00 0.00 H new ATOM 658 N LYS A 44 -0.155 -18.996 7.977 1.00 0.00 N ATOM 659 CA LYS A 44 0.915 -19.980 8.099 1.00 0.00 C ATOM 660 C LYS A 44 1.053 -20.457 9.541 1.00 0.00 C ATOM 661 O LYS A 44 1.537 -21.560 9.796 1.00 0.00 O ATOM 662 CB LYS A 44 2.240 -19.385 7.618 1.00 0.00 C ATOM 663 CG LYS A 44 2.810 -18.333 8.553 1.00 0.00 C ATOM 664 CD LYS A 44 4.014 -18.858 9.316 1.00 0.00 C ATOM 665 CE LYS A 44 5.294 -18.708 8.509 1.00 0.00 C ATOM 666 NZ LYS A 44 6.431 -19.441 9.131 1.00 0.00 N ATOM 0 H LYS A 44 0.136 -18.104 7.578 1.00 0.00 H new ATOM 0 HA LYS A 44 0.661 -20.836 7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.968 -20.188 7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.093 -18.942 6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.098 -17.452 7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.041 -18.017 9.258 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.112 -18.319 10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.860 -19.908 9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.131 -19.081 7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.547 -17.651 8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.285 -19.314 8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.603 -19.068 10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.200 -20.453 9.190 1.00 0.00 H new ATOM 680 N ARG A 45 0.624 -19.620 10.480 1.00 0.00 N ATOM 681 CA ARG A 45 0.701 -19.957 11.897 1.00 0.00 C ATOM 682 C ARG A 45 -0.672 -20.348 12.437 1.00 0.00 C ATOM 683 O ARG A 45 -0.936 -20.232 13.634 1.00 0.00 O ATOM 684 CB ARG A 45 1.257 -18.776 12.694 1.00 0.00 C ATOM 685 CG ARG A 45 2.728 -18.500 12.427 1.00 0.00 C ATOM 686 CD ARG A 45 3.522 -18.410 13.720 1.00 0.00 C ATOM 687 NE ARG A 45 3.486 -19.661 14.473 1.00 0.00 N ATOM 688 CZ ARG A 45 3.764 -19.747 15.769 1.00 0.00 C ATOM 689 NH1 ARG A 45 4.097 -18.661 16.453 1.00 0.00 N ATOM 690 NH2 ARG A 45 3.710 -20.921 16.384 1.00 0.00 N ATOM 0 H ARG A 45 0.220 -18.704 10.286 1.00 0.00 H new ATOM 0 HA ARG A 45 1.372 -20.809 12.007 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.679 -17.883 12.455 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.120 -18.969 13.758 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.140 -19.291 11.800 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.829 -17.568 11.871 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.557 -18.153 13.493 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.122 -17.605 14.336 1.00 0.00 H new ATOM 0 HE ARG A 45 3.234 -20.515 13.976 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.140 -17.756 15.984 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.310 -18.730 17.448 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.455 -21.759 15.862 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.924 -20.986 17.379 1.00 0.00 H new ATOM 704 N LYS A 46 -1.542 -20.811 11.547 1.00 0.00 N ATOM 705 CA LYS A 46 -2.888 -21.220 11.933 1.00 0.00 C ATOM 706 C LYS A 46 -3.582 -20.122 12.732 1.00 0.00 C ATOM 707 O LYS A 46 -4.244 -20.393 13.734 1.00 0.00 O ATOM 708 CB LYS A 46 -2.834 -22.509 12.756 1.00 0.00 C ATOM 709 CG LYS A 46 -2.595 -23.755 11.921 1.00 0.00 C ATOM 710 CD LYS A 46 -3.437 -24.922 12.407 1.00 0.00 C ATOM 711 CE LYS A 46 -2.935 -26.244 11.846 1.00 0.00 C ATOM 712 NZ LYS A 46 -4.026 -27.251 11.737 1.00 0.00 N ATOM 0 H LYS A 46 -1.340 -20.913 10.552 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.462 -21.400 11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.041 -22.423 13.499 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.771 -22.622 13.301 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.830 -23.545 10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.540 -24.025 11.962 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.418 -24.957 13.496 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.475 -24.771 12.111 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.495 -26.077 10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.144 -26.634 12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.643 -28.137 11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.429 -27.429 12.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.769 -26.891 11.105 1.00 0.00 H new ATOM 726 N LYS A 47 -3.429 -18.882 12.281 1.00 0.00 N ATOM 727 CA LYS A 47 -4.043 -17.742 12.951 1.00 0.00 C ATOM 728 C LYS A 47 -5.006 -17.016 12.018 1.00 0.00 C ATOM 729 O LYS A 47 -5.245 -17.453 10.892 1.00 0.00 O ATOM 730 CB LYS A 47 -2.966 -16.773 13.444 1.00 0.00 C ATOM 731 CG LYS A 47 -2.885 -16.673 14.958 1.00 0.00 C ATOM 732 CD LYS A 47 -2.227 -15.375 15.396 1.00 0.00 C ATOM 733 CE LYS A 47 -0.748 -15.352 15.041 1.00 0.00 C ATOM 734 NZ LYS A 47 -0.018 -14.282 15.775 1.00 0.00 N ATOM 0 H LYS A 47 -2.884 -18.641 11.453 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.606 -18.116 13.806 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.998 -17.091 13.057 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.164 -15.783 13.033 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.887 -16.735 15.382 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.320 -17.519 15.350 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.729 -14.533 14.921 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.346 -15.251 16.472 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.304 -16.320 15.273 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.634 -15.199 13.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.979 -14.277 15.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.447 -13.359 15.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.076 -14.461 16.798 1.00 0.00 H new ATOM 748 N LYS A 48 -5.557 -15.903 12.492 1.00 0.00 N ATOM 749 CA LYS A 48 -6.492 -15.114 11.699 1.00 0.00 C ATOM 750 C LYS A 48 -6.130 -13.633 11.746 1.00 0.00 C ATOM 751 O LYS A 48 -5.596 -13.146 12.743 1.00 0.00 O ATOM 752 CB LYS A 48 -7.921 -15.317 12.207 1.00 0.00 C ATOM 753 CG LYS A 48 -8.214 -14.590 13.508 1.00 0.00 C ATOM 754 CD LYS A 48 -9.000 -15.463 14.471 1.00 0.00 C ATOM 755 CE LYS A 48 -8.124 -16.543 15.087 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.906 -17.764 15.428 1.00 0.00 N ATOM 0 H LYS A 48 -5.372 -15.527 13.422 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.429 -15.453 10.665 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.621 -14.975 11.444 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.099 -16.383 12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.277 -14.285 13.974 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.777 -13.680 13.298 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.425 -14.844 15.261 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.835 -15.926 13.945 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.327 -16.805 14.391 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.647 -16.154 15.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.273 -18.476 15.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.651 -17.520 16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.341 -18.150 14.566 1.00 0.00 H new ATOM 770 N ALA A 49 -6.426 -12.921 10.664 1.00 0.00 N ATOM 771 CA ALA A 49 -6.135 -11.495 10.584 1.00 0.00 C ATOM 772 C ALA A 49 -7.158 -10.681 11.370 1.00 0.00 C ATOM 773 O ALA A 49 -8.350 -10.704 11.065 1.00 0.00 O ATOM 774 CB ALA A 49 -6.103 -11.044 9.131 1.00 0.00 C ATOM 0 H ALA A 49 -6.867 -13.309 9.830 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.154 -11.324 11.028 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.885 -9.977 9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.330 -11.595 8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.071 -11.236 8.669 1.00 0.00 H new ATOM 780 N TYR A 50 -6.683 -9.964 12.382 1.00 0.00 N ATOM 781 CA TYR A 50 -7.557 -9.146 13.215 1.00 0.00 C ATOM 782 C TYR A 50 -7.130 -7.682 13.178 1.00 0.00 C ATOM 783 O TYR A 50 -5.970 -7.367 12.908 1.00 0.00 O ATOM 784 CB TYR A 50 -7.547 -9.655 14.657 1.00 0.00 C ATOM 785 CG TYR A 50 -6.162 -9.969 15.178 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.375 -8.980 15.753 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.642 -11.255 15.095 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.109 -9.261 16.230 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.378 -11.546 15.571 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.616 -10.546 16.137 1.00 0.00 C ATOM 791 OH TYR A 50 -2.356 -10.832 16.611 1.00 0.00 O ATOM 0 H TYR A 50 -5.698 -9.932 12.645 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.569 -9.221 12.818 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.007 -8.906 15.301 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.162 -10.552 14.721 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.759 -7.973 15.829 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.236 -12.040 14.651 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.509 -8.480 16.673 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.989 -12.551 15.500 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.161 -11.782 16.470 1.00 0.00 H new ATOM 801 N CYS A 51 -8.076 -6.789 13.451 1.00 0.00 N ATOM 802 CA CYS A 51 -7.800 -5.358 13.450 1.00 0.00 C ATOM 803 C CYS A 51 -6.581 -5.038 14.311 1.00 0.00 C ATOM 804 O CYS A 51 -6.645 -5.025 15.541 1.00 0.00 O ATOM 805 CB CYS A 51 -9.017 -4.583 13.961 1.00 0.00 C ATOM 806 SG CYS A 51 -10.028 -3.835 12.643 1.00 0.00 S ATOM 0 H CYS A 51 -9.041 -7.032 13.676 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.588 -5.055 12.425 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.643 -5.256 14.547 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.677 -3.796 14.634 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.258 -3.186 11.821 1.00 0.00 H new ATOM 811 N PRO A 52 -5.444 -4.772 13.651 1.00 0.00 N ATOM 812 CA PRO A 52 -4.190 -4.446 14.335 1.00 0.00 C ATOM 813 C PRO A 52 -4.234 -3.078 15.008 1.00 0.00 C ATOM 814 O PRO A 52 -3.384 -2.757 15.838 1.00 0.00 O ATOM 815 CB PRO A 52 -3.157 -4.453 13.205 1.00 0.00 C ATOM 816 CG PRO A 52 -3.941 -4.152 11.974 1.00 0.00 C ATOM 817 CD PRO A 52 -5.296 -4.768 12.186 1.00 0.00 C ATOM 0 HA PRO A 52 -3.969 -5.150 15.137 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.381 -3.706 13.373 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.658 -5.419 13.130 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.022 -3.077 11.816 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.457 -4.569 11.091 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.082 -4.186 11.704 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.348 -5.776 11.774 1.00 0.00 H new ATOM 825 N GLN A 53 -5.231 -2.277 14.644 1.00 0.00 N ATOM 826 CA GLN A 53 -5.385 -0.944 15.213 1.00 0.00 C ATOM 827 C GLN A 53 -5.669 -1.020 16.709 1.00 0.00 C ATOM 828 O GLN A 53 -6.788 -1.326 17.124 1.00 0.00 O ATOM 829 CB GLN A 53 -6.513 -0.191 14.505 1.00 0.00 C ATOM 830 CG GLN A 53 -6.338 1.319 14.516 1.00 0.00 C ATOM 831 CD GLN A 53 -5.686 1.840 13.250 1.00 0.00 C ATOM 832 OE1 GLN A 53 -6.153 1.572 12.142 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.601 2.588 13.407 1.00 0.00 N ATOM 0 H GLN A 53 -5.943 -2.528 13.958 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.450 -0.404 15.067 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.575 -0.534 13.472 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.461 -0.442 14.981 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.312 1.793 14.640 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.732 1.605 15.376 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.249 2.785 14.344 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.120 2.966 12.591 1.00 0.00 H new ATOM 842 N ILE A 54 -4.650 -0.740 17.515 1.00 0.00 N ATOM 843 CA ILE A 54 -4.792 -0.776 18.965 1.00 0.00 C ATOM 844 C ILE A 54 -5.987 0.053 19.422 1.00 0.00 C ATOM 845 O ILE A 54 -5.931 1.282 19.449 1.00 0.00 O ATOM 846 CB ILE A 54 -3.523 -0.257 19.668 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.302 -1.065 19.226 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.690 -0.323 21.179 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.007 -0.597 19.852 1.00 0.00 C ATOM 0 H ILE A 54 -3.718 -0.486 17.188 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.950 -1.819 19.240 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.368 0.784 19.384 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.460 -2.114 19.479 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.213 -1.008 18.141 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.785 0.047 21.662 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.539 0.292 21.478 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.866 -1.355 21.481 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.185 -1.216 19.493 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.825 0.442 19.578 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.076 -0.680 20.937 1.00 0.00 H new ATOM 861 N GLY A 55 -7.070 -0.629 19.783 1.00 0.00 N ATOM 862 CA GLY A 55 -8.264 0.060 20.236 1.00 0.00 C ATOM 863 C GLY A 55 -9.532 -0.532 19.653 1.00 0.00 C ATOM 864 O GLY A 55 -10.624 -0.328 20.186 1.00 0.00 O ATOM 0 H GLY A 55 -7.141 -1.646 19.770 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.314 0.017 21.324 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.199 1.113 19.961 1.00 0.00 H new ATOM 868 N CYS A 56 -9.390 -1.267 18.555 1.00 0.00 N ATOM 869 CA CYS A 56 -10.532 -1.890 17.898 1.00 0.00 C ATOM 870 C CYS A 56 -10.857 -3.238 18.534 1.00 0.00 C ATOM 871 O CYS A 56 -9.990 -3.885 19.121 1.00 0.00 O ATOM 872 CB CYS A 56 -10.251 -2.073 16.405 1.00 0.00 C ATOM 873 SG CYS A 56 -11.747 -2.119 15.367 1.00 0.00 S ATOM 0 H CYS A 56 -8.494 -1.446 18.101 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.393 -1.233 18.021 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.610 -1.260 16.064 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.694 -2.999 16.262 1.00 0.00 H new ATOM 0 HG CYS A 56 -11.474 -2.703 14.238 1.00 0.00 H new ATOM 878 N SER A 57 -12.113 -3.656 18.412 1.00 0.00 N ATOM 879 CA SER A 57 -12.555 -4.926 18.978 1.00 0.00 C ATOM 880 C SER A 57 -12.681 -5.990 17.892 1.00 0.00 C ATOM 881 O SER A 57 -12.585 -7.187 18.165 1.00 0.00 O ATOM 882 CB SER A 57 -13.895 -4.751 19.694 1.00 0.00 C ATOM 883 OG SER A 57 -13.717 -4.671 21.097 1.00 0.00 O ATOM 0 H SER A 57 -12.843 -3.134 17.926 1.00 0.00 H new ATOM 0 HA SER A 57 -11.806 -5.254 19.699 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.388 -3.847 19.335 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.551 -5.588 19.455 1.00 0.00 H new ATOM 0 HG SER A 57 -14.588 -4.558 21.531 1.00 0.00 H new ATOM 889 N HIS A 58 -12.897 -5.545 16.658 1.00 0.00 N ATOM 890 CA HIS A 58 -13.036 -6.458 15.529 1.00 0.00 C ATOM 891 C HIS A 58 -11.839 -7.400 15.441 1.00 0.00 C ATOM 892 O HIS A 58 -10.744 -7.075 15.902 1.00 0.00 O ATOM 893 CB HIS A 58 -13.178 -5.672 14.225 1.00 0.00 C ATOM 894 CG HIS A 58 -13.759 -6.475 13.102 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.010 -7.053 13.159 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.254 -6.794 11.888 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.249 -7.694 12.029 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.199 -7.552 11.240 1.00 0.00 N ATOM 0 H HIS A 58 -12.980 -4.558 16.415 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.935 -7.055 15.685 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.809 -4.801 14.402 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.198 -5.300 13.926 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.651 -6.995 13.950 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.288 -6.506 11.500 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.149 -8.241 11.791 1.00 0.00 H new ATOM 906 N THR A 59 -12.054 -8.569 14.847 1.00 0.00 N ATOM 907 CA THR A 59 -10.994 -9.559 14.701 1.00 0.00 C ATOM 908 C THR A 59 -11.257 -10.474 13.511 1.00 0.00 C ATOM 909 O THR A 59 -10.962 -11.669 13.557 1.00 0.00 O ATOM 910 CB THR A 59 -10.848 -10.417 15.972 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.140 -10.802 16.455 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.101 -9.656 17.056 1.00 0.00 C ATOM 0 H THR A 59 -12.953 -8.854 14.459 1.00 0.00 H new ATOM 0 HA THR A 59 -10.068 -9.009 14.535 1.00 0.00 H new ATOM 0 HB THR A 59 -10.276 -11.309 15.717 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.038 -11.349 17.262 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.010 -10.282 17.944 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.107 -9.391 16.696 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.650 -8.748 17.307 1.00 0.00 H new ATOM 920 N ASP A 60 -11.813 -9.907 12.446 1.00 0.00 N ATOM 921 CA ASP A 60 -12.114 -10.672 11.241 1.00 0.00 C ATOM 922 C ASP A 60 -11.753 -9.879 9.989 1.00 0.00 C ATOM 923 O ASP A 60 -12.510 -9.011 9.553 1.00 0.00 O ATOM 924 CB ASP A 60 -13.595 -11.053 11.210 1.00 0.00 C ATOM 925 CG ASP A 60 -14.040 -11.752 12.480 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.691 -12.938 12.658 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.736 -11.112 13.295 1.00 0.00 O ATOM 0 H ASP A 60 -12.065 -8.920 12.392 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.513 -11.581 11.258 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.195 -10.155 11.064 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.782 -11.704 10.356 1.00 0.00 H new ATOM 932 N ILE A 61 -10.593 -10.182 9.416 1.00 0.00 N ATOM 933 CA ILE A 61 -10.133 -9.498 8.215 1.00 0.00 C ATOM 934 C ILE A 61 -9.777 -10.494 7.117 1.00 0.00 C ATOM 935 O ILE A 61 -9.084 -11.482 7.362 1.00 0.00 O ATOM 936 CB ILE A 61 -8.907 -8.612 8.506 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.189 -7.687 9.692 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.533 -7.803 7.273 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.990 -6.870 10.119 1.00 0.00 C ATOM 0 H ILE A 61 -9.955 -10.897 9.765 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.955 -8.867 7.877 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.065 -9.255 8.763 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.004 -7.012 9.430 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.530 -8.286 10.537 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.665 -7.182 7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.295 -8.480 6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.371 -7.167 6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.263 -6.238 10.964 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.180 -7.538 10.412 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.662 -6.245 9.289 1.00 0.00 H new ATOM 951 N ARG A 62 -10.254 -10.227 5.905 1.00 0.00 N ATOM 952 CA ARG A 62 -9.985 -11.099 4.769 1.00 0.00 C ATOM 953 C ARG A 62 -9.332 -10.323 3.629 1.00 0.00 C ATOM 954 O ARG A 62 -9.676 -9.168 3.373 1.00 0.00 O ATOM 955 CB ARG A 62 -11.281 -11.749 4.280 1.00 0.00 C ATOM 956 CG ARG A 62 -11.261 -13.268 4.340 1.00 0.00 C ATOM 957 CD ARG A 62 -12.654 -13.851 4.164 1.00 0.00 C ATOM 958 NE ARG A 62 -12.837 -15.075 4.938 1.00 0.00 N ATOM 959 CZ ARG A 62 -14.020 -15.642 5.148 1.00 0.00 C ATOM 960 NH1 ARG A 62 -15.119 -15.097 4.644 1.00 0.00 N ATOM 961 NH2 ARG A 62 -14.106 -16.756 5.863 1.00 0.00 N ATOM 0 H ARG A 62 -10.829 -9.413 5.685 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.296 -11.878 5.097 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.112 -11.381 4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.469 -11.437 3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.602 -13.655 3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.849 -13.590 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.397 -13.114 4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.829 -14.060 3.109 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.011 -15.519 5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.057 -14.240 4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.026 -15.534 4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.263 -17.178 6.252 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.015 -17.190 6.023 1.00 0.00 H new ATOM 975 N LYS A 63 -8.388 -10.963 2.949 1.00 0.00 N ATOM 976 CA LYS A 63 -7.686 -10.334 1.836 1.00 0.00 C ATOM 977 C LYS A 63 -8.670 -9.858 0.772 1.00 0.00 C ATOM 978 O LYS A 63 -8.382 -8.928 0.019 1.00 0.00 O ATOM 979 CB LYS A 63 -6.685 -11.314 1.218 1.00 0.00 C ATOM 980 CG LYS A 63 -5.471 -10.637 0.605 1.00 0.00 C ATOM 981 CD LYS A 63 -4.628 -11.619 -0.190 1.00 0.00 C ATOM 982 CE LYS A 63 -3.832 -12.538 0.725 1.00 0.00 C ATOM 983 NZ LYS A 63 -3.652 -13.892 0.131 1.00 0.00 N ATOM 0 H LYS A 63 -8.091 -11.918 3.149 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.147 -9.468 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.352 -12.013 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.190 -11.900 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.796 -9.825 -0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.865 -10.191 1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.273 -12.216 -0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.946 -11.071 -0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.856 -12.096 0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.343 -12.627 1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.105 -14.488 0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.583 -14.325 -0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.142 -13.810 -0.772 1.00 0.00 H new ATOM 997 N SER A 64 -9.832 -10.501 0.717 1.00 0.00 N ATOM 998 CA SER A 64 -10.857 -10.144 -0.257 1.00 0.00 C ATOM 999 C SER A 64 -11.513 -8.816 0.107 1.00 0.00 C ATOM 1000 O SER A 64 -12.078 -8.134 -0.748 1.00 0.00 O ATOM 1001 CB SER A 64 -11.918 -11.244 -0.339 1.00 0.00 C ATOM 1002 OG SER A 64 -13.194 -10.701 -0.631 1.00 0.00 O ATOM 0 H SER A 64 -10.087 -11.271 1.335 1.00 0.00 H new ATOM 0 HA SER A 64 -10.377 -10.038 -1.230 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.641 -11.964 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.958 -11.787 0.606 1.00 0.00 H new ATOM 0 HG SER A 64 -13.854 -11.424 -0.680 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.434 -8.454 1.383 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.019 -7.207 1.862 1.00 0.00 C ATOM 1010 C ASP A 65 -10.975 -6.095 1.896 1.00 0.00 C ATOM 1011 O ASP A 65 -11.108 -5.126 2.645 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.618 -7.402 3.256 1.00 0.00 C ATOM 1013 CG ASP A 65 -13.863 -8.268 3.234 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -13.736 -9.484 2.981 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.965 -7.729 3.470 1.00 0.00 O ATOM 0 H ASP A 65 -10.970 -9.007 2.104 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.811 -6.917 1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.873 -7.858 3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.863 -6.429 3.683 1.00 0.00 H new ATOM 1020 N LEU A 66 -9.936 -6.241 1.081 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.868 -5.250 1.017 1.00 0.00 C ATOM 1022 C LEU A 66 -8.982 -4.407 -0.249 1.00 0.00 C ATOM 1023 O LEU A 66 -8.932 -4.931 -1.362 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.502 -5.939 1.064 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.157 -6.656 2.369 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -5.771 -7.278 2.286 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.241 -5.694 3.545 1.00 0.00 C ATOM 0 H LEU A 66 -9.811 -7.037 0.455 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.965 -4.591 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.455 -6.664 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.733 -5.191 0.869 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.883 -7.454 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.543 -7.784 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.744 -7.999 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.032 -6.497 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.992 -6.222 4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.538 -4.874 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.253 -5.295 3.618 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.133 -3.099 -0.071 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.251 -2.183 -1.199 1.00 0.00 C ATOM 1041 C ILE A 67 -8.274 -1.020 -1.067 1.00 0.00 C ATOM 1042 O ILE A 67 -7.891 -0.641 0.040 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.681 -1.627 -1.325 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.179 -1.128 0.033 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.616 -2.690 -1.881 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.577 -0.551 -0.011 1.00 0.00 C ATOM 0 H ILE A 67 -9.177 -2.650 0.844 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.012 -2.754 -2.096 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.668 -0.785 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.158 -1.953 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.492 -0.368 0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.623 -2.281 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.268 -3.001 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.628 -3.550 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.864 -0.217 0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.600 0.295 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.275 -1.315 -0.353 1.00 0.00 H new ATOM 1058 N GLN A 68 -7.877 -0.456 -2.203 1.00 0.00 N ATOM 1059 CA GLN A 68 -6.945 0.666 -2.213 1.00 0.00 C ATOM 1060 C GLN A 68 -7.690 1.992 -2.106 1.00 0.00 C ATOM 1061 O GLN A 68 -8.269 2.471 -3.081 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.101 0.643 -3.489 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.529 -0.727 -3.815 1.00 0.00 C ATOM 1064 CD GLN A 68 -4.537 -0.688 -4.961 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -4.856 -0.225 -6.057 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.327 -1.174 -4.714 1.00 0.00 N ATOM 0 H GLN A 68 -8.186 -0.757 -3.127 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.288 0.568 -1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.713 0.981 -4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.282 1.354 -3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.039 -1.132 -2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.344 -1.406 -4.068 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.106 -1.548 -3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.618 -1.174 -5.447 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.670 2.581 -0.915 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.343 3.854 -0.680 1.00 0.00 C ATOM 1077 C ASP A 69 -7.626 4.989 -1.405 1.00 0.00 C ATOM 1078 O ASP A 69 -6.501 5.345 -1.059 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.409 4.151 0.819 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.327 5.314 1.138 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.888 5.905 0.191 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.486 5.633 2.335 1.00 0.00 O ATOM 0 H ASP A 69 -7.195 2.198 -0.098 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.357 3.779 -1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.755 3.263 1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.407 4.371 1.187 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.287 5.551 -2.412 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.711 6.645 -3.186 1.00 0.00 C ATOM 1089 C GLU A 70 -7.722 7.943 -2.385 1.00 0.00 C ATOM 1090 O GLU A 70 -6.766 8.717 -2.424 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.482 6.834 -4.495 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.588 7.098 -5.695 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.356 7.636 -6.887 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.594 7.763 -6.786 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -7.719 7.928 -7.920 1.00 0.00 O ATOM 0 H GLU A 70 -9.220 5.268 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.677 6.389 -3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.080 5.943 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.177 7.666 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.812 7.811 -5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.085 6.174 -5.979 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.811 8.175 -1.659 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.946 9.378 -0.847 1.00 0.00 C ATOM 1104 C ALA A 71 -7.778 9.521 0.122 1.00 0.00 C ATOM 1105 O ALA A 71 -7.398 10.632 0.493 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.264 9.356 -0.087 1.00 0.00 C ATOM 0 H ALA A 71 -9.612 7.545 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.937 10.240 -1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.352 10.260 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.092 9.310 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.294 8.482 0.564 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.211 8.390 0.528 1.00 0.00 N ATOM 1113 CA LEU A 72 -6.084 8.389 1.455 1.00 0.00 C ATOM 1114 C LEU A 72 -4.758 8.411 0.701 1.00 0.00 C ATOM 1115 O LEU A 72 -3.812 9.084 1.110 1.00 0.00 O ATOM 1116 CB LEU A 72 -6.147 7.161 2.364 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.727 7.379 3.818 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -6.506 6.456 4.743 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -4.230 7.159 3.979 1.00 0.00 C ATOM 0 H LEU A 72 -7.513 7.462 0.230 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.148 9.289 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.168 6.779 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.513 6.384 1.936 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.954 8.409 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.194 6.625 5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.572 6.662 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.311 5.419 4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.949 7.318 5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.979 6.139 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.689 7.862 3.345 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.699 7.672 -0.402 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.490 7.608 -1.213 1.00 0.00 C ATOM 1133 C ARG A 73 -3.049 9.003 -1.645 1.00 0.00 C ATOM 1134 O ARG A 73 -1.879 9.364 -1.514 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.723 6.731 -2.446 1.00 0.00 C ATOM 1136 CG ARG A 73 -3.122 5.341 -2.327 1.00 0.00 C ATOM 1137 CD ARG A 73 -3.290 4.549 -3.614 1.00 0.00 C ATOM 1138 NE ARG A 73 -2.452 5.071 -4.690 1.00 0.00 N ATOM 1139 CZ ARG A 73 -2.262 4.441 -5.845 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -2.849 3.274 -6.072 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -1.485 4.980 -6.776 1.00 0.00 N ATOM 0 H ARG A 73 -5.474 7.110 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.699 7.168 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.795 6.640 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.300 7.227 -3.319 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.063 5.421 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.598 4.807 -1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.038 3.504 -3.432 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.335 4.576 -3.923 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.987 5.968 -4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.448 2.857 -5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.701 2.793 -6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.033 5.878 -6.606 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.340 4.496 -7.662 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.993 9.784 -2.159 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.702 11.139 -2.611 1.00 0.00 C ATOM 1157 C ARG A 74 -3.301 12.029 -1.438 1.00 0.00 C ATOM 1158 O ARG A 74 -2.571 13.005 -1.608 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.918 11.734 -3.324 1.00 0.00 C ATOM 1160 CG ARG A 74 -5.323 10.973 -4.575 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.833 10.967 -4.760 1.00 0.00 C ATOM 1162 NE ARG A 74 -7.218 11.296 -6.129 1.00 0.00 N ATOM 1163 CZ ARG A 74 -8.479 11.404 -6.532 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -9.471 11.211 -5.674 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -8.750 11.707 -7.795 1.00 0.00 N ATOM 0 H ARG A 74 -4.966 9.502 -2.273 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.867 11.090 -3.310 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.760 11.754 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.701 12.768 -3.592 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.850 11.426 -5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.959 9.947 -4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.226 9.984 -4.499 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.285 11.684 -4.074 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.478 11.451 -6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.267 10.979 -4.702 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.439 11.295 -5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.989 11.857 -8.458 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.719 11.790 -8.103 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.783 11.684 -0.249 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.473 12.450 0.952 1.00 0.00 C ATOM 1181 C ALA A 75 -1.984 12.388 1.275 1.00 0.00 C ATOM 1182 O ALA A 75 -1.330 13.419 1.433 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.292 11.941 2.129 1.00 0.00 C ATOM 0 H ALA A 75 -4.390 10.879 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.734 13.492 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.050 12.522 3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.354 12.045 1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.060 10.891 2.307 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.455 11.173 1.371 1.00 0.00 N ATOM 1190 CA ILE A 76 -0.043 10.977 1.674 1.00 0.00 C ATOM 1191 C ILE A 76 0.841 11.756 0.707 1.00 0.00 C ATOM 1192 O ILE A 76 1.907 12.243 1.080 1.00 0.00 O ATOM 1193 CB ILE A 76 0.343 9.487 1.618 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.505 8.680 2.603 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.824 9.312 1.920 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.476 7.190 2.346 1.00 0.00 C ATOM 0 H ILE A 76 -1.983 10.310 1.243 1.00 0.00 H new ATOM 0 HA ILE A 76 0.116 11.348 2.687 1.00 0.00 H new ATOM 0 HB ILE A 76 0.150 9.115 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.152 8.873 3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.536 9.029 2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.082 8.254 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.413 9.859 1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.040 9.698 2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.099 6.682 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.857 6.986 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.549 6.827 2.425 1.00 0.00 H new