USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 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 -132:sc= 0.271 USER MOD Set 1.2: A 28 HIS : no HD1:sc= -1.08 K(o=0.38,f=-0.59) USER MOD Set 1.3: A 30 TYR OH : rot -40:sc= 0.0589 USER MOD Set 1.4: A 51 CYS SG : rot -116:sc= 1.27 USER MOD Set 1.5: A 53 GLN : amide:sc= -0.654 K(o=0.38,f=-1.6!) USER MOD Set 1.6: A 56 CYS SG : rot -158:sc= 0.517 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 52:sc= -0.985 USER MOD Single : A 13 THR OG1 : rot -150:sc= -0.587 USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= 0.0312 (180deg=0) USER MOD Single : A 17 MET CE :methyl 173:sc= -0.0125 (180deg=-0.113) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -141:sc=-0.000661 (180deg=-0.951) USER MOD Single : A 23 ASN : amide:sc= -2.42 K(o=-2.4,f=-3.9!) 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 137:sc= -1.52 (180deg=-4.49!) USER MOD Single : A 41 SER OG : rot 76:sc= 1.27 USER MOD Single : A 43 GLN : amide:sc=-0.00605 K(o=-0.0061,f=-1.4) 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+ -168:sc= -0.0031 (180deg=-0.0955) 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= -1.08 K(o=-1.1,f=-4.5!) 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= -0.0489 K(o=-0.049,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 0.810 9.354 7.774 1.00 0.00 N ATOM 67 CA PHE A 8 0.168 8.047 7.858 1.00 0.00 C ATOM 68 C PHE A 8 1.170 6.975 8.278 1.00 0.00 C ATOM 69 O PHE A 8 2.127 6.686 7.559 1.00 0.00 O ATOM 70 CB PHE A 8 -0.459 7.676 6.513 1.00 0.00 C ATOM 71 CG PHE A 8 -1.768 8.363 6.252 1.00 0.00 C ATOM 72 CD1 PHE A 8 -1.805 9.597 5.624 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.963 7.774 6.635 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.009 10.232 5.382 1.00 0.00 C ATOM 75 CE2 PHE A 8 -4.170 8.404 6.395 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.193 9.635 5.769 1.00 0.00 C ATOM 0 HA PHE A 8 -0.616 8.103 8.613 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.239 7.927 5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.611 6.597 6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.882 10.069 5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.951 6.812 7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.024 11.194 4.891 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.094 7.934 6.697 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.135 10.130 5.582 1.00 0.00 H new ATOM 86 N THR A 9 0.943 6.388 9.450 1.00 0.00 N ATOM 87 CA THR A 9 1.825 5.350 9.968 1.00 0.00 C ATOM 88 C THR A 9 1.058 4.061 10.236 1.00 0.00 C ATOM 89 O THR A 9 -0.027 4.082 10.819 1.00 0.00 O ATOM 90 CB THR A 9 2.521 5.800 11.266 1.00 0.00 C ATOM 91 OG1 THR A 9 1.868 6.960 11.795 1.00 0.00 O ATOM 92 CG2 THR A 9 3.989 6.108 11.015 1.00 0.00 C ATOM 0 H THR A 9 0.156 6.614 10.058 1.00 0.00 H new ATOM 0 HA THR A 9 2.581 5.168 9.204 1.00 0.00 H new ATOM 0 HB THR A 9 2.456 4.986 11.988 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.315 7.239 12.621 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.459 6.424 11.946 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.489 5.215 10.641 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.072 6.907 10.278 1.00 0.00 H new ATOM 100 N CYS A 10 1.627 2.939 9.809 1.00 0.00 N ATOM 101 CA CYS A 10 0.996 1.639 10.003 1.00 0.00 C ATOM 102 C CYS A 10 1.223 1.132 11.424 1.00 0.00 C ATOM 103 O CYS A 10 2.343 1.121 11.934 1.00 0.00 O ATOM 104 CB CYS A 10 1.543 0.627 8.995 1.00 0.00 C ATOM 105 SG CYS A 10 0.559 -0.884 8.858 1.00 0.00 S ATOM 0 H CYS A 10 2.525 2.904 9.326 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.076 1.756 9.844 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.600 1.101 8.015 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.561 0.360 9.280 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.686 -0.574 8.650 1.00 0.00 H new ATOM 111 N PRO A 11 0.134 0.703 12.080 1.00 0.00 N ATOM 112 CA PRO A 11 0.188 0.188 13.451 1.00 0.00 C ATOM 113 C PRO A 11 0.891 -1.163 13.536 1.00 0.00 C ATOM 114 O PRO A 11 1.154 -1.669 14.628 1.00 0.00 O ATOM 115 CB PRO A 11 -1.287 0.048 13.836 1.00 0.00 C ATOM 116 CG PRO A 11 -2.002 -0.123 12.540 1.00 0.00 C ATOM 117 CD PRO A 11 -1.233 0.688 11.533 1.00 0.00 C ATOM 0 HA PRO A 11 0.755 0.845 14.111 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.446 -0.808 14.492 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.642 0.929 14.371 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.038 -1.173 12.250 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.033 0.223 12.614 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.265 0.234 10.543 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.638 1.695 11.435 1.00 0.00 H new ATOM 125 N ILE A 12 1.194 -1.740 12.379 1.00 0.00 N ATOM 126 CA ILE A 12 1.869 -3.031 12.323 1.00 0.00 C ATOM 127 C ILE A 12 3.376 -2.858 12.169 1.00 0.00 C ATOM 128 O ILE A 12 4.151 -3.262 13.036 1.00 0.00 O ATOM 129 CB ILE A 12 1.340 -3.893 11.161 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.175 -4.070 11.276 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.038 -5.245 11.145 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.805 -4.698 10.053 1.00 0.00 C ATOM 0 H ILE A 12 0.983 -1.334 11.467 1.00 0.00 H new ATOM 0 HA ILE A 12 1.659 -3.538 13.265 1.00 0.00 H new ATOM 0 HB ILE A 12 1.556 -3.383 10.222 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.395 -4.688 12.146 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.634 -3.097 11.452 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.654 -5.843 10.319 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.111 -5.099 11.019 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.850 -5.763 12.086 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.880 -4.793 10.206 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.616 -4.069 9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.374 -5.685 9.888 1.00 0.00 H new ATOM 144 N THR A 13 3.786 -2.253 11.058 1.00 0.00 N ATOM 145 CA THR A 13 5.200 -2.025 10.789 1.00 0.00 C ATOM 146 C THR A 13 5.705 -0.784 11.517 1.00 0.00 C ATOM 147 O THR A 13 6.902 -0.497 11.520 1.00 0.00 O ATOM 148 CB THR A 13 5.466 -1.866 9.281 1.00 0.00 C ATOM 149 OG1 THR A 13 4.648 -0.819 8.747 1.00 0.00 O ATOM 150 CG2 THR A 13 5.183 -3.164 8.541 1.00 0.00 C ATOM 0 H THR A 13 3.158 -1.912 10.330 1.00 0.00 H new ATOM 0 HA THR A 13 5.737 -2.901 11.154 1.00 0.00 H new ATOM 0 HB THR A 13 6.517 -1.611 9.145 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.443 -1.011 7.808 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.378 -3.026 7.477 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.828 -3.952 8.929 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.140 -3.445 8.685 1.00 0.00 H new ATOM 158 N LYS A 14 4.785 -0.051 12.134 1.00 0.00 N ATOM 159 CA LYS A 14 5.136 1.159 12.868 1.00 0.00 C ATOM 160 C LYS A 14 5.959 2.104 11.998 1.00 0.00 C ATOM 161 O LYS A 14 6.778 2.871 12.502 1.00 0.00 O ATOM 162 CB LYS A 14 5.918 0.803 14.134 1.00 0.00 C ATOM 163 CG LYS A 14 5.033 0.471 15.323 1.00 0.00 C ATOM 164 CD LYS A 14 4.412 -0.910 15.186 1.00 0.00 C ATOM 165 CE LYS A 14 5.462 -2.005 15.291 1.00 0.00 C ATOM 166 NZ LYS A 14 4.926 -3.225 15.957 1.00 0.00 N ATOM 0 H LYS A 14 3.790 -0.274 12.140 1.00 0.00 H new ATOM 0 HA LYS A 14 4.212 1.664 13.149 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.564 -0.049 13.924 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.567 1.638 14.397 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.621 0.518 16.240 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.245 1.219 15.411 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.659 -1.050 15.962 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.900 -0.986 14.227 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.819 -2.263 14.294 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.320 -1.633 15.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.714 -3.793 16.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.301 -2.947 16.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.388 -3.789 15.268 1.00 0.00 H new ATOM 180 N GLU A 15 5.734 2.043 10.689 1.00 0.00 N ATOM 181 CA GLU A 15 6.455 2.894 9.750 1.00 0.00 C ATOM 182 C GLU A 15 5.497 3.536 8.751 1.00 0.00 C ATOM 183 O GLU A 15 4.333 3.149 8.656 1.00 0.00 O ATOM 184 CB GLU A 15 7.518 2.083 9.005 1.00 0.00 C ATOM 185 CG GLU A 15 6.939 1.058 8.045 1.00 0.00 C ATOM 186 CD GLU A 15 7.373 1.292 6.611 1.00 0.00 C ATOM 187 OE1 GLU A 15 8.517 1.746 6.403 1.00 0.00 O ATOM 188 OE2 GLU A 15 6.568 1.019 5.696 1.00 0.00 O ATOM 0 H GLU A 15 5.059 1.414 10.255 1.00 0.00 H new ATOM 0 HA GLU A 15 6.944 3.685 10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.161 2.766 8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.149 1.572 9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.247 0.060 8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.851 1.087 8.101 1.00 0.00 H new ATOM 195 N GLU A 16 5.997 4.519 8.009 1.00 0.00 N ATOM 196 CA GLU A 16 5.185 5.216 7.018 1.00 0.00 C ATOM 197 C GLU A 16 4.505 4.225 6.078 1.00 0.00 C ATOM 198 O GLU A 16 5.031 3.145 5.812 1.00 0.00 O ATOM 199 CB GLU A 16 6.047 6.191 6.213 1.00 0.00 C ATOM 200 CG GLU A 16 5.276 7.382 5.672 1.00 0.00 C ATOM 201 CD GLU A 16 5.535 7.625 4.198 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.650 8.071 3.857 1.00 0.00 O ATOM 203 OE2 GLU A 16 4.622 7.367 3.385 1.00 0.00 O ATOM 0 H GLU A 16 6.959 4.851 8.075 1.00 0.00 H new ATOM 0 HA GLU A 16 4.414 5.776 7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.859 6.551 6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.504 5.656 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.209 7.220 5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.549 8.273 6.237 1.00 0.00 H new ATOM 210 N MET A 17 3.332 4.602 5.579 1.00 0.00 N ATOM 211 CA MET A 17 2.579 3.747 4.668 1.00 0.00 C ATOM 212 C MET A 17 2.638 4.287 3.243 1.00 0.00 C ATOM 213 O MET A 17 2.377 5.466 3.004 1.00 0.00 O ATOM 214 CB MET A 17 1.124 3.635 5.125 1.00 0.00 C ATOM 215 CG MET A 17 0.972 3.388 6.617 1.00 0.00 C ATOM 216 SD MET A 17 -0.583 2.574 7.032 1.00 0.00 S ATOM 217 CE MET A 17 -1.756 3.877 6.662 1.00 0.00 C ATOM 0 H MET A 17 2.883 5.493 5.790 1.00 0.00 H new ATOM 0 HA MET A 17 3.032 2.756 4.681 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.598 4.552 4.862 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.642 2.823 4.580 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.803 2.775 6.966 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.033 4.339 7.147 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.771 3.488 6.749 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.621 4.699 7.365 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.591 4.238 5.647 1.00 0.00 H new ATOM 227 N LYS A 18 2.982 3.418 2.299 1.00 0.00 N ATOM 228 CA LYS A 18 3.074 3.807 0.897 1.00 0.00 C ATOM 229 C LYS A 18 1.810 3.413 0.139 1.00 0.00 C ATOM 230 O LYS A 18 1.376 4.116 -0.774 1.00 0.00 O ATOM 231 CB LYS A 18 4.296 3.156 0.244 1.00 0.00 C ATOM 232 CG LYS A 18 5.614 3.560 0.883 1.00 0.00 C ATOM 233 CD LYS A 18 6.107 4.894 0.346 1.00 0.00 C ATOM 234 CE LYS A 18 6.767 4.738 -1.015 1.00 0.00 C ATOM 235 NZ LYS A 18 8.180 4.285 -0.897 1.00 0.00 N ATOM 0 H LYS A 18 3.202 2.439 2.480 1.00 0.00 H new ATOM 0 HA LYS A 18 3.180 4.891 0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.193 2.072 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.318 3.422 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.491 3.625 1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.363 2.791 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.270 5.588 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.818 5.330 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.204 4.020 -1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.734 5.689 -1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.595 4.191 -1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.724 4.982 -0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.210 3.365 -0.413 1.00 0.00 H new ATOM 249 N LYS A 19 1.222 2.285 0.524 1.00 0.00 N ATOM 250 CA LYS A 19 0.006 1.798 -0.116 1.00 0.00 C ATOM 251 C LYS A 19 -1.100 1.581 0.911 1.00 0.00 C ATOM 252 O LYS A 19 -1.322 0.470 1.395 1.00 0.00 O ATOM 253 CB LYS A 19 0.286 0.493 -0.864 1.00 0.00 C ATOM 254 CG LYS A 19 0.926 0.698 -2.226 1.00 0.00 C ATOM 255 CD LYS A 19 1.942 -0.389 -2.534 1.00 0.00 C ATOM 256 CE LYS A 19 2.209 -0.496 -4.027 1.00 0.00 C ATOM 257 NZ LYS A 19 3.386 0.317 -4.440 1.00 0.00 N ATOM 0 H LYS A 19 1.569 1.691 1.277 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.327 2.553 -0.828 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.939 -0.132 -0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.650 -0.052 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.153 0.704 -2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.414 1.672 -2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.874 -0.176 -2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.578 -1.346 -2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.378 -1.540 -4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.328 -0.166 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.535 0.217 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.215 1.317 -4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.232 -0.014 -3.934 1.00 0.00 H new ATOM 271 N PRO A 20 -1.814 2.664 1.252 1.00 0.00 N ATOM 272 CA PRO A 20 -2.911 2.616 2.224 1.00 0.00 C ATOM 273 C PRO A 20 -4.125 1.863 1.691 1.00 0.00 C ATOM 274 O PRO A 20 -4.608 2.143 0.593 1.00 0.00 O ATOM 275 CB PRO A 20 -3.252 4.091 2.447 1.00 0.00 C ATOM 276 CG PRO A 20 -2.813 4.775 1.199 1.00 0.00 C ATOM 277 CD PRO A 20 -1.605 4.019 0.715 1.00 0.00 C ATOM 0 HA PRO A 20 -2.626 2.088 3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.319 4.229 2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.734 4.489 3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.605 4.766 0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.568 5.820 1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.543 4.015 -0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.680 4.460 1.086 1.00 0.00 H new ATOM 285 N VAL A 21 -4.614 0.907 2.474 1.00 0.00 N ATOM 286 CA VAL A 21 -5.773 0.115 2.081 1.00 0.00 C ATOM 287 C VAL A 21 -6.815 0.076 3.194 1.00 0.00 C ATOM 288 O VAL A 21 -6.485 -0.136 4.361 1.00 0.00 O ATOM 289 CB VAL A 21 -5.371 -1.327 1.718 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.338 -1.328 0.602 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.844 -2.057 2.945 1.00 0.00 C ATOM 0 H VAL A 21 -4.225 0.662 3.385 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.202 0.596 1.202 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.256 -1.854 1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.066 -2.355 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.756 -0.845 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.451 -0.785 0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.565 -3.074 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.971 -1.533 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.619 -2.087 3.711 1.00 0.00 H new ATOM 301 N LYS A 22 -8.075 0.280 2.825 1.00 0.00 N ATOM 302 CA LYS A 22 -9.167 0.267 3.790 1.00 0.00 C ATOM 303 C LYS A 22 -9.914 -1.062 3.748 1.00 0.00 C ATOM 304 O LYS A 22 -9.920 -1.749 2.727 1.00 0.00 O ATOM 305 CB LYS A 22 -10.136 1.418 3.511 1.00 0.00 C ATOM 306 CG LYS A 22 -11.255 1.533 4.532 1.00 0.00 C ATOM 307 CD LYS A 22 -12.526 0.859 4.044 1.00 0.00 C ATOM 308 CE LYS A 22 -13.454 1.850 3.357 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.606 1.169 2.703 1.00 0.00 N ATOM 0 H LYS A 22 -8.365 0.456 1.863 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.741 0.393 4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.578 2.354 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.571 1.283 2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.939 1.080 5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.455 2.585 4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.271 0.057 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.042 0.400 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.824 2.568 4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.895 2.415 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.811 1.630 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.371 0.169 2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.441 1.231 3.319 1.00 0.00 H new ATOM 323 N ASN A 23 -10.544 -1.417 4.863 1.00 0.00 N ATOM 324 CA ASN A 23 -11.296 -2.664 4.952 1.00 0.00 C ATOM 325 C ASN A 23 -12.797 -2.395 4.958 1.00 0.00 C ATOM 326 O ASN A 23 -13.305 -1.666 5.809 1.00 0.00 O ATOM 327 CB ASN A 23 -10.899 -3.434 6.214 1.00 0.00 C ATOM 328 CG ASN A 23 -10.740 -4.920 5.959 1.00 0.00 C ATOM 329 OD1 ASN A 23 -10.084 -5.330 5.001 1.00 0.00 O ATOM 330 ND2 ASN A 23 -11.343 -5.735 6.816 1.00 0.00 N ATOM 0 H ASN A 23 -10.549 -0.859 5.717 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.057 -3.267 4.076 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.963 -3.033 6.602 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.655 -3.279 6.984 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.273 -6.745 6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.876 -5.351 7.596 1.00 0.00 H new ATOM 337 N LYS A 24 -13.503 -2.990 4.002 1.00 0.00 N ATOM 338 CA LYS A 24 -14.947 -2.818 3.897 1.00 0.00 C ATOM 339 C LYS A 24 -15.656 -3.414 5.109 1.00 0.00 C ATOM 340 O LYS A 24 -16.802 -3.071 5.401 1.00 0.00 O ATOM 341 CB LYS A 24 -15.467 -3.473 2.615 1.00 0.00 C ATOM 342 CG LYS A 24 -15.124 -4.948 2.503 1.00 0.00 C ATOM 343 CD LYS A 24 -15.134 -5.415 1.057 1.00 0.00 C ATOM 344 CE LYS A 24 -16.547 -5.455 0.495 1.00 0.00 C ATOM 345 NZ LYS A 24 -16.985 -6.846 0.194 1.00 0.00 N ATOM 0 H LYS A 24 -13.098 -3.596 3.288 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.159 -1.749 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.550 -3.356 2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.054 -2.946 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.141 -5.128 2.937 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.839 -5.534 3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.520 -4.747 0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.686 -6.407 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.235 -5.004 1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.594 -4.855 -0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.953 -6.831 -0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.343 -7.268 -0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.965 -7.413 1.066 1.00 0.00 H new ATOM 359 N VAL A 25 -14.967 -4.307 5.812 1.00 0.00 N ATOM 360 CA VAL A 25 -15.530 -4.948 6.994 1.00 0.00 C ATOM 361 C VAL A 25 -15.637 -3.965 8.154 1.00 0.00 C ATOM 362 O VAL A 25 -16.735 -3.619 8.590 1.00 0.00 O ATOM 363 CB VAL A 25 -14.682 -6.156 7.435 1.00 0.00 C ATOM 364 CG1 VAL A 25 -15.395 -6.939 8.527 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.369 -7.050 6.245 1.00 0.00 C ATOM 0 H VAL A 25 -14.018 -4.603 5.583 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.527 -5.294 6.722 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.740 -5.787 7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.781 -7.789 8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.563 -6.292 9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.353 -7.298 8.151 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.769 -7.898 6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.299 -7.412 5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.814 -6.482 5.499 1.00 0.00 H new ATOM 375 N CYS A 26 -14.489 -3.518 8.651 1.00 0.00 N ATOM 376 CA CYS A 26 -14.451 -2.574 9.762 1.00 0.00 C ATOM 377 C CYS A 26 -14.447 -1.136 9.253 1.00 0.00 C ATOM 378 O CYS A 26 -15.312 -0.337 9.610 1.00 0.00 O ATOM 379 CB CYS A 26 -13.216 -2.823 10.629 1.00 0.00 C ATOM 380 SG CYS A 26 -13.041 -1.666 12.025 1.00 0.00 S ATOM 0 H CYS A 26 -13.571 -3.794 8.302 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.346 -2.725 10.365 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.257 -3.841 11.018 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.326 -2.757 10.003 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.827 -1.202 12.054 1.00 0.00 H new ATOM 385 N GLY A 27 -13.467 -0.812 8.415 1.00 0.00 N ATOM 386 CA GLY A 27 -13.368 0.529 7.870 1.00 0.00 C ATOM 387 C GLY A 27 -11.995 1.137 8.072 1.00 0.00 C ATOM 388 O GLY A 27 -11.630 2.103 7.400 1.00 0.00 O ATOM 0 H GLY A 27 -12.739 -1.455 8.104 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.597 0.503 6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.117 1.166 8.341 1.00 0.00 H new ATOM 392 N HIS A 28 -11.230 0.574 9.002 1.00 0.00 N ATOM 393 CA HIS A 28 -9.889 1.068 9.292 1.00 0.00 C ATOM 394 C HIS A 28 -8.990 0.952 8.064 1.00 0.00 C ATOM 395 O HIS A 28 -9.363 0.337 7.064 1.00 0.00 O ATOM 396 CB HIS A 28 -9.278 0.293 10.460 1.00 0.00 C ATOM 397 CG HIS A 28 -9.656 0.839 11.803 1.00 0.00 C ATOM 398 ND1 HIS A 28 -10.100 0.046 12.840 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.651 2.107 12.276 1.00 0.00 C ATOM 400 CE1 HIS A 28 -10.354 0.803 13.892 1.00 0.00 C ATOM 401 NE2 HIS A 28 -10.089 2.058 13.577 1.00 0.00 N ATOM 0 H HIS A 28 -11.516 -0.225 9.568 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.968 2.120 9.566 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.593 -0.749 10.399 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.192 0.304 10.365 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.357 2.992 11.732 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.717 0.455 14.848 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.193 2.860 14.199 1.00 0.00 H new ATOM 409 N THR A 29 -7.805 1.547 8.146 1.00 0.00 N ATOM 410 CA THR A 29 -6.854 1.513 7.042 1.00 0.00 C ATOM 411 C THR A 29 -5.520 0.922 7.483 1.00 0.00 C ATOM 412 O THR A 29 -5.098 1.101 8.626 1.00 0.00 O ATOM 413 CB THR A 29 -6.613 2.920 6.464 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.336 3.893 7.226 1.00 0.00 O ATOM 415 CG2 THR A 29 -7.044 2.987 5.007 1.00 0.00 C ATOM 0 H THR A 29 -7.480 2.059 8.966 1.00 0.00 H new ATOM 0 HA THR A 29 -7.291 0.881 6.269 1.00 0.00 H new ATOM 0 HB THR A 29 -5.546 3.135 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.176 4.785 6.853 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.864 3.990 4.620 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.471 2.265 4.425 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.106 2.753 4.931 1.00 0.00 H new ATOM 423 N TYR A 30 -4.859 0.218 6.571 1.00 0.00 N ATOM 424 CA TYR A 30 -3.573 -0.401 6.867 1.00 0.00 C ATOM 425 C TYR A 30 -2.649 -0.346 5.654 1.00 0.00 C ATOM 426 O TYR A 30 -3.049 0.093 4.577 1.00 0.00 O ATOM 427 CB TYR A 30 -3.771 -1.853 7.306 1.00 0.00 C ATOM 428 CG TYR A 30 -5.092 -2.102 7.998 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.288 -1.724 9.320 1.00 0.00 C ATOM 430 CD2 TYR A 30 -6.144 -2.714 7.329 1.00 0.00 C ATOM 431 CE1 TYR A 30 -6.493 -1.951 9.957 1.00 0.00 C ATOM 432 CE2 TYR A 30 -7.354 -2.943 7.957 1.00 0.00 C ATOM 433 CZ TYR A 30 -7.522 -2.560 9.271 1.00 0.00 C ATOM 434 OH TYR A 30 -8.725 -2.786 9.901 1.00 0.00 O ATOM 0 H TYR A 30 -5.193 0.062 5.620 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.109 0.157 7.680 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.701 -2.501 6.432 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.960 -2.134 7.978 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.485 -1.244 9.859 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.014 -3.016 6.300 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.628 -1.653 10.986 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.163 -3.419 7.422 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.562 -3.078 10.822 1.00 0.00 H new ATOM 444 N GLU A 31 -1.412 -0.795 5.840 1.00 0.00 N ATOM 445 CA GLU A 31 -0.431 -0.796 4.761 1.00 0.00 C ATOM 446 C GLU A 31 -0.496 -2.099 3.968 1.00 0.00 C ATOM 447 O GLU A 31 -0.746 -3.166 4.528 1.00 0.00 O ATOM 448 CB GLU A 31 0.979 -0.599 5.323 1.00 0.00 C ATOM 449 CG GLU A 31 2.079 -0.838 4.303 1.00 0.00 C ATOM 450 CD GLU A 31 3.278 0.066 4.516 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.727 0.192 5.675 1.00 0.00 O ATOM 452 OE2 GLU A 31 3.767 0.647 3.525 1.00 0.00 O ATOM 0 H GLU A 31 -1.066 -1.162 6.726 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.666 0.030 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.068 0.416 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.123 -1.275 6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.399 -1.879 4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.681 -0.678 3.301 1.00 0.00 H new ATOM 459 N GLU A 32 -0.270 -2.001 2.662 1.00 0.00 N ATOM 460 CA GLU A 32 -0.305 -3.171 1.792 1.00 0.00 C ATOM 461 C GLU A 32 0.627 -4.262 2.310 1.00 0.00 C ATOM 462 O GLU A 32 0.177 -5.319 2.755 1.00 0.00 O ATOM 463 CB GLU A 32 0.089 -2.785 0.364 1.00 0.00 C ATOM 464 CG GLU A 32 -0.374 -3.781 -0.685 1.00 0.00 C ATOM 465 CD GLU A 32 0.017 -3.370 -2.092 1.00 0.00 C ATOM 466 OE1 GLU A 32 -0.502 -2.344 -2.577 1.00 0.00 O ATOM 467 OE2 GLU A 32 0.843 -4.077 -2.707 1.00 0.00 O ATOM 0 H GLU A 32 -0.061 -1.125 2.183 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.324 -3.558 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.330 -1.806 0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.173 -2.689 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.052 -4.760 -0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.458 -3.885 -0.629 1.00 0.00 H new ATOM 474 N ASP A 33 1.928 -3.999 2.249 1.00 0.00 N ATOM 475 CA ASP A 33 2.924 -4.958 2.713 1.00 0.00 C ATOM 476 C ASP A 33 2.588 -5.456 4.115 1.00 0.00 C ATOM 477 O ASP A 33 2.893 -6.595 4.469 1.00 0.00 O ATOM 478 CB ASP A 33 4.316 -4.324 2.704 1.00 0.00 C ATOM 479 CG ASP A 33 4.731 -3.857 1.322 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.213 -2.815 0.867 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.573 -4.533 0.696 1.00 0.00 O ATOM 0 H ASP A 33 2.317 -3.130 1.883 1.00 0.00 H new ATOM 0 HA ASP A 33 2.916 -5.810 2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.331 -3.477 3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.044 -5.047 3.074 1.00 0.00 H new ATOM 486 N ALA A 34 1.958 -4.596 4.908 1.00 0.00 N ATOM 487 CA ALA A 34 1.580 -4.949 6.271 1.00 0.00 C ATOM 488 C ALA A 34 0.479 -6.004 6.278 1.00 0.00 C ATOM 489 O ALA A 34 0.672 -7.112 6.781 1.00 0.00 O ATOM 490 CB ALA A 34 1.131 -3.710 7.032 1.00 0.00 C ATOM 0 H ALA A 34 1.698 -3.650 4.630 1.00 0.00 H new ATOM 0 HA ALA A 34 2.454 -5.370 6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.852 -3.988 8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.947 -2.988 7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.273 -3.265 6.529 1.00 0.00 H new ATOM 496 N ILE A 35 -0.674 -5.654 5.720 1.00 0.00 N ATOM 497 CA ILE A 35 -1.805 -6.572 5.663 1.00 0.00 C ATOM 498 C ILE A 35 -1.471 -7.804 4.829 1.00 0.00 C ATOM 499 O ILE A 35 -2.118 -8.844 4.952 1.00 0.00 O ATOM 500 CB ILE A 35 -3.054 -5.890 5.074 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.291 -6.764 5.296 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.856 -5.610 3.591 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.628 -6.974 6.755 1.00 0.00 C ATOM 0 H ILE A 35 -0.850 -4.741 5.301 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.017 -6.877 6.688 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.206 -4.940 5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.144 -6.305 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.130 -7.734 4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.747 -5.128 3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.996 -4.953 3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.682 -6.548 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.515 -7.602 6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.791 -7.461 7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.821 -6.010 7.226 1.00 0.00 H new ATOM 515 N VAL A 36 -0.456 -7.680 3.980 1.00 0.00 N ATOM 516 CA VAL A 36 -0.033 -8.785 3.127 1.00 0.00 C ATOM 517 C VAL A 36 0.938 -9.704 3.860 1.00 0.00 C ATOM 518 O VAL A 36 0.894 -10.924 3.700 1.00 0.00 O ATOM 519 CB VAL A 36 0.635 -8.273 1.837 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.251 -9.428 1.061 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.370 -7.519 0.980 1.00 0.00 C ATOM 0 H VAL A 36 0.089 -6.826 3.864 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.930 -9.345 2.865 1.00 0.00 H new ATOM 0 HB VAL A 36 1.434 -7.583 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.718 -9.048 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.003 -9.920 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.473 -10.144 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.119 -7.164 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.192 -8.184 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.759 -6.668 1.539 1.00 0.00 H new ATOM 531 N ARG A 37 1.814 -9.110 4.663 1.00 0.00 N ATOM 532 CA ARG A 37 2.797 -9.876 5.420 1.00 0.00 C ATOM 533 C ARG A 37 2.182 -10.435 6.700 1.00 0.00 C ATOM 534 O ARG A 37 2.660 -11.429 7.247 1.00 0.00 O ATOM 535 CB ARG A 37 4.004 -9.000 5.762 1.00 0.00 C ATOM 536 CG ARG A 37 3.749 -8.031 6.906 1.00 0.00 C ATOM 537 CD ARG A 37 4.985 -7.202 7.219 1.00 0.00 C ATOM 538 NE ARG A 37 5.719 -7.727 8.368 1.00 0.00 N ATOM 539 CZ ARG A 37 6.630 -7.030 9.038 1.00 0.00 C ATOM 540 NH1 ARG A 37 6.917 -5.787 8.676 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.255 -7.576 10.073 1.00 0.00 N ATOM 0 H ARG A 37 1.863 -8.101 4.806 1.00 0.00 H new ATOM 0 HA ARG A 37 3.126 -10.710 4.801 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.846 -9.642 6.021 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.295 -8.435 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.922 -7.370 6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.447 -8.586 7.794 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.640 -7.184 6.348 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.690 -6.172 7.417 1.00 0.00 H new ATOM 0 HE ARG A 37 5.521 -8.680 8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.438 -5.364 7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.617 -5.254 9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.036 -8.532 10.355 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.954 -7.040 10.587 1.00 0.00 H new ATOM 555 N MET A 38 1.120 -9.790 7.171 1.00 0.00 N ATOM 556 CA MET A 38 0.440 -10.224 8.386 1.00 0.00 C ATOM 557 C MET A 38 -0.406 -11.465 8.121 1.00 0.00 C ATOM 558 O MET A 38 -0.224 -12.500 8.763 1.00 0.00 O ATOM 559 CB MET A 38 -0.441 -9.099 8.933 1.00 0.00 C ATOM 560 CG MET A 38 -0.958 -9.360 10.338 1.00 0.00 C ATOM 561 SD MET A 38 -1.054 -7.860 11.333 1.00 0.00 S ATOM 562 CE MET A 38 -2.800 -7.478 11.202 1.00 0.00 C ATOM 0 H MET A 38 0.712 -8.966 6.730 1.00 0.00 H new ATOM 0 HA MET A 38 1.199 -10.474 9.128 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.128 -8.169 8.931 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.289 -8.955 8.264 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.946 -9.816 10.278 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.305 -10.079 10.833 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.182 -7.181 12.179 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.942 -6.662 10.494 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.340 -8.359 10.854 1.00 0.00 H new ATOM 572 N ILE A 39 -1.331 -11.354 7.174 1.00 0.00 N ATOM 573 CA ILE A 39 -2.205 -12.467 6.825 1.00 0.00 C ATOM 574 C ILE A 39 -1.396 -13.715 6.487 1.00 0.00 C ATOM 575 O ILE A 39 -1.826 -14.836 6.755 1.00 0.00 O ATOM 576 CB ILE A 39 -3.112 -12.118 5.631 1.00 0.00 C ATOM 577 CG1 ILE A 39 -3.968 -10.892 5.954 1.00 0.00 C ATOM 578 CG2 ILE A 39 -3.993 -13.305 5.270 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.632 -10.281 4.739 1.00 0.00 C ATOM 0 H ILE A 39 -1.495 -10.504 6.634 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.828 -12.665 7.697 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.483 -11.883 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.736 -11.175 6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.343 -10.139 6.434 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.628 -13.043 4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.366 -14.156 5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.617 -13.568 6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.222 -9.417 5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.869 -9.967 4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.284 -11.019 4.271 1.00 0.00 H new ATOM 591 N GLU A 40 -0.222 -13.511 5.899 1.00 0.00 N ATOM 592 CA GLU A 40 0.647 -14.621 5.525 1.00 0.00 C ATOM 593 C GLU A 40 1.395 -15.160 6.741 1.00 0.00 C ATOM 594 O GLU A 40 1.689 -16.352 6.824 1.00 0.00 O ATOM 595 CB GLU A 40 1.646 -14.177 4.454 1.00 0.00 C ATOM 596 CG GLU A 40 1.027 -14.005 3.078 1.00 0.00 C ATOM 597 CD GLU A 40 1.492 -15.059 2.092 1.00 0.00 C ATOM 598 OE1 GLU A 40 1.247 -16.257 2.344 1.00 0.00 O ATOM 599 OE2 GLU A 40 2.102 -14.685 1.068 1.00 0.00 O ATOM 0 H GLU A 40 0.149 -12.589 5.671 1.00 0.00 H new ATOM 0 HA GLU A 40 0.022 -15.418 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.098 -13.234 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.450 -14.911 4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.059 -14.048 3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.277 -13.017 2.692 1.00 0.00 H new ATOM 606 N SER A 41 1.699 -14.272 7.683 1.00 0.00 N ATOM 607 CA SER A 41 2.416 -14.657 8.893 1.00 0.00 C ATOM 608 C SER A 41 1.475 -15.320 9.894 1.00 0.00 C ATOM 609 O SER A 41 1.908 -16.083 10.758 1.00 0.00 O ATOM 610 CB SER A 41 3.077 -13.433 9.530 1.00 0.00 C ATOM 611 OG SER A 41 4.161 -12.971 8.743 1.00 0.00 O ATOM 0 H SER A 41 1.460 -13.282 7.631 1.00 0.00 H new ATOM 0 HA SER A 41 3.188 -15.375 8.616 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.341 -12.637 9.644 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.431 -13.686 10.529 1.00 0.00 H new ATOM 0 HG SER A 41 3.816 -12.499 7.956 1.00 0.00 H new ATOM 617 N ARG A 42 0.186 -15.024 9.771 1.00 0.00 N ATOM 618 CA ARG A 42 -0.817 -15.589 10.665 1.00 0.00 C ATOM 619 C ARG A 42 -1.295 -16.947 10.156 1.00 0.00 C ATOM 620 O ARG A 42 -1.318 -17.926 10.902 1.00 0.00 O ATOM 621 CB ARG A 42 -2.007 -14.637 10.800 1.00 0.00 C ATOM 622 CG ARG A 42 -1.625 -13.255 11.307 1.00 0.00 C ATOM 623 CD ARG A 42 -1.805 -13.145 12.813 1.00 0.00 C ATOM 624 NE ARG A 42 -0.997 -12.071 13.384 1.00 0.00 N ATOM 625 CZ ARG A 42 -1.356 -10.793 13.367 1.00 0.00 C ATOM 626 NH1 ARG A 42 -2.504 -10.431 12.810 1.00 0.00 N ATOM 627 NH2 ARG A 42 -0.566 -9.873 13.907 1.00 0.00 N ATOM 0 H ARG A 42 -0.189 -14.396 9.060 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.358 -15.726 11.644 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.494 -14.537 9.830 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.737 -15.076 11.480 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.588 -13.045 11.047 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.237 -12.502 10.810 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.856 -12.968 13.040 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.533 -14.091 13.281 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.108 -12.316 13.820 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.113 -11.135 12.394 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.778 -9.448 12.798 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.318 -10.148 14.336 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.843 -8.891 13.893 1.00 0.00 H new ATOM 641 N GLN A 43 -1.675 -16.996 8.884 1.00 0.00 N ATOM 642 CA GLN A 43 -2.153 -18.233 8.277 1.00 0.00 C ATOM 643 C GLN A 43 -1.149 -19.362 8.481 1.00 0.00 C ATOM 644 O GLN A 43 -1.526 -20.497 8.775 1.00 0.00 O ATOM 645 CB GLN A 43 -2.411 -18.026 6.784 1.00 0.00 C ATOM 646 CG GLN A 43 -3.886 -17.927 6.429 1.00 0.00 C ATOM 647 CD GLN A 43 -4.134 -18.008 4.936 1.00 0.00 C ATOM 648 OE1 GLN A 43 -3.216 -18.258 4.155 1.00 0.00 O ATOM 649 NE2 GLN A 43 -5.381 -17.795 4.530 1.00 0.00 N ATOM 0 H GLN A 43 -1.661 -16.194 8.254 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.088 -18.511 8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.906 -17.116 6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.967 -18.852 6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.430 -18.729 6.928 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.285 -16.987 6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -6.112 -17.591 5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.608 -17.836 3.536 1.00 0.00 H new ATOM 658 N LYS A 44 0.131 -19.045 8.321 1.00 0.00 N ATOM 659 CA LYS A 44 1.191 -20.032 8.488 1.00 0.00 C ATOM 660 C LYS A 44 1.263 -20.515 9.933 1.00 0.00 C ATOM 661 O LYS A 44 1.728 -21.622 10.205 1.00 0.00 O ATOM 662 CB LYS A 44 2.538 -19.440 8.070 1.00 0.00 C ATOM 663 CG LYS A 44 3.051 -18.367 9.015 1.00 0.00 C ATOM 664 CD LYS A 44 4.244 -18.857 9.819 1.00 0.00 C ATOM 665 CE LYS A 44 5.545 -18.673 9.054 1.00 0.00 C ATOM 666 NZ LYS A 44 6.390 -19.899 9.093 1.00 0.00 N ATOM 0 H LYS A 44 0.460 -18.111 8.076 1.00 0.00 H new ATOM 0 HA LYS A 44 0.962 -20.885 7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.274 -20.241 8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.445 -19.017 7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.334 -17.483 8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.253 -18.066 9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.296 -18.314 10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.111 -19.911 10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.324 -18.417 8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.100 -17.836 9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.268 -19.733 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.623 -20.129 10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.871 -20.692 8.666 1.00 0.00 H new ATOM 680 N ARG A 45 0.797 -19.679 10.855 1.00 0.00 N ATOM 681 CA ARG A 45 0.809 -20.021 12.272 1.00 0.00 C ATOM 682 C ARG A 45 -0.585 -20.420 12.747 1.00 0.00 C ATOM 683 O ARG A 45 -0.895 -20.341 13.936 1.00 0.00 O ATOM 684 CB ARG A 45 1.322 -18.841 13.100 1.00 0.00 C ATOM 685 CG ARG A 45 2.785 -18.513 12.851 1.00 0.00 C ATOM 686 CD ARG A 45 3.589 -18.540 14.141 1.00 0.00 C ATOM 687 NE ARG A 45 4.816 -17.754 14.039 1.00 0.00 N ATOM 688 CZ ARG A 45 5.863 -18.119 13.308 1.00 0.00 C ATOM 689 NH1 ARG A 45 5.833 -19.251 12.619 1.00 0.00 N ATOM 690 NH2 ARG A 45 6.944 -17.350 13.265 1.00 0.00 N ATOM 0 H ARG A 45 0.407 -18.760 10.646 1.00 0.00 H new ATOM 0 HA ARG A 45 1.478 -20.870 12.408 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.718 -17.962 12.877 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.183 -19.063 14.158 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.204 -19.229 12.144 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.865 -17.528 12.392 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.978 -18.154 14.957 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.839 -19.571 14.391 1.00 0.00 H new ATOM 0 HE ARG A 45 4.872 -16.877 14.557 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.004 -19.845 12.649 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.639 -19.528 12.059 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.971 -16.478 13.794 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.748 -17.631 12.703 1.00 0.00 H new ATOM 704 N LYS A 46 -1.423 -20.848 11.809 1.00 0.00 N ATOM 705 CA LYS A 46 -2.785 -21.261 12.129 1.00 0.00 C ATOM 706 C LYS A 46 -3.503 -20.186 12.938 1.00 0.00 C ATOM 707 O LYS A 46 -4.377 -20.486 13.752 1.00 0.00 O ATOM 708 CB LYS A 46 -2.770 -22.577 12.910 1.00 0.00 C ATOM 709 CG LYS A 46 -2.546 -23.800 12.037 1.00 0.00 C ATOM 710 CD LYS A 46 -3.100 -25.057 12.685 1.00 0.00 C ATOM 711 CE LYS A 46 -2.158 -26.238 12.507 1.00 0.00 C ATOM 712 NZ LYS A 46 -2.788 -27.519 12.930 1.00 0.00 N ATOM 0 H LYS A 46 -1.183 -20.918 10.820 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.324 -21.407 11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.986 -22.532 13.666 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.717 -22.687 13.439 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.022 -23.649 11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.479 -23.925 11.851 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.264 -24.878 13.748 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.070 -25.295 12.249 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.858 -26.309 11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.251 -26.070 13.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.114 -28.299 12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.051 -27.461 13.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.639 -27.693 12.358 1.00 0.00 H new ATOM 726 N LYS A 47 -3.131 -18.931 12.708 1.00 0.00 N ATOM 727 CA LYS A 47 -3.741 -17.810 13.413 1.00 0.00 C ATOM 728 C LYS A 47 -4.766 -17.105 12.530 1.00 0.00 C ATOM 729 O LYS A 47 -5.112 -17.591 11.453 1.00 0.00 O ATOM 730 CB LYS A 47 -2.666 -16.816 13.859 1.00 0.00 C ATOM 731 CG LYS A 47 -2.669 -16.548 15.354 1.00 0.00 C ATOM 732 CD LYS A 47 -1.996 -15.226 15.685 1.00 0.00 C ATOM 733 CE LYS A 47 -0.488 -15.310 15.510 1.00 0.00 C ATOM 734 NZ LYS A 47 0.151 -16.126 16.580 1.00 0.00 N ATOM 0 H LYS A 47 -2.409 -18.665 12.038 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.253 -18.201 14.292 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.687 -17.198 13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.811 -15.875 13.329 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.695 -16.537 15.720 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.155 -17.358 15.871 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.395 -14.442 15.041 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.229 -14.945 16.712 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.259 -15.744 14.537 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.065 -14.305 15.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.182 -15.995 16.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.208 -15.824 17.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.075 -17.130 16.432 1.00 0.00 H new ATOM 748 N LYS A 48 -5.246 -15.955 12.992 1.00 0.00 N ATOM 749 CA LYS A 48 -6.229 -15.181 12.243 1.00 0.00 C ATOM 750 C LYS A 48 -5.838 -13.707 12.194 1.00 0.00 C ATOM 751 O LYS A 48 -5.130 -13.214 13.072 1.00 0.00 O ATOM 752 CB LYS A 48 -7.615 -15.331 12.875 1.00 0.00 C ATOM 753 CG LYS A 48 -7.785 -14.545 14.163 1.00 0.00 C ATOM 754 CD LYS A 48 -8.540 -15.347 15.210 1.00 0.00 C ATOM 755 CE LYS A 48 -7.652 -16.403 15.850 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.340 -17.721 15.947 1.00 0.00 N ATOM 0 H LYS A 48 -4.970 -15.539 13.881 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.257 -15.565 11.223 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.369 -15.005 12.158 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.801 -16.386 13.076 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.806 -14.267 14.553 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.321 -13.618 13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.921 -14.675 15.979 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.404 -15.827 14.749 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.738 -16.512 15.266 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.356 -16.074 16.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.702 -18.414 16.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.198 -17.623 16.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.600 -18.048 14.995 1.00 0.00 H new ATOM 770 N ALA A 49 -6.305 -13.010 11.164 1.00 0.00 N ATOM 771 CA ALA A 49 -6.007 -11.592 11.004 1.00 0.00 C ATOM 772 C ALA A 49 -7.043 -10.729 11.717 1.00 0.00 C ATOM 773 O ALA A 49 -8.206 -10.681 11.317 1.00 0.00 O ATOM 774 CB ALA A 49 -5.942 -11.230 9.528 1.00 0.00 C ATOM 0 H ALA A 49 -6.891 -13.404 10.428 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.036 -11.397 11.458 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.719 -10.168 9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.160 -11.815 9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.901 -11.447 9.058 1.00 0.00 H new ATOM 780 N TYR A 50 -6.612 -10.050 12.774 1.00 0.00 N ATOM 781 CA TYR A 50 -7.503 -9.191 13.545 1.00 0.00 C ATOM 782 C TYR A 50 -7.131 -7.722 13.369 1.00 0.00 C ATOM 783 O TYR A 50 -5.990 -7.393 13.045 1.00 0.00 O ATOM 784 CB TYR A 50 -7.453 -9.567 15.027 1.00 0.00 C ATOM 785 CG TYR A 50 -6.051 -9.784 15.549 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.444 -11.031 15.470 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.332 -8.741 16.121 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.163 -11.234 15.946 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.051 -8.935 16.599 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.470 -10.183 16.510 1.00 0.00 C ATOM 791 OH TYR A 50 -2.194 -10.380 16.984 1.00 0.00 O ATOM 0 H TYR A 50 -5.652 -10.078 13.117 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.517 -9.337 13.174 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.931 -8.779 15.609 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.034 -10.476 15.183 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.983 -11.856 15.029 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.783 -7.762 16.193 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.707 -12.210 15.877 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.507 -8.113 17.040 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.847 -9.539 17.348 1.00 0.00 H new ATOM 801 N CYS A 51 -8.103 -6.842 13.586 1.00 0.00 N ATOM 802 CA CYS A 51 -7.881 -5.408 13.452 1.00 0.00 C ATOM 803 C CYS A 51 -6.656 -4.970 14.250 1.00 0.00 C ATOM 804 O CYS A 51 -6.692 -4.851 15.475 1.00 0.00 O ATOM 805 CB CYS A 51 -9.114 -4.633 13.923 1.00 0.00 C ATOM 806 SG CYS A 51 -9.914 -3.645 12.619 1.00 0.00 S ATOM 0 H CYS A 51 -9.053 -7.098 13.856 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.704 -5.190 12.399 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.841 -5.338 14.327 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.824 -3.971 14.739 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.831 -2.383 12.919 1.00 0.00 H new ATOM 811 N PRO A 52 -5.545 -4.725 13.541 1.00 0.00 N ATOM 812 CA PRO A 52 -4.288 -4.296 14.162 1.00 0.00 C ATOM 813 C PRO A 52 -4.368 -2.876 14.712 1.00 0.00 C ATOM 814 O PRO A 52 -3.458 -2.417 15.402 1.00 0.00 O ATOM 815 CB PRO A 52 -3.281 -4.368 13.011 1.00 0.00 C ATOM 816 CG PRO A 52 -4.102 -4.205 11.779 1.00 0.00 C ATOM 817 CD PRO A 52 -5.429 -4.846 12.078 1.00 0.00 C ATOM 0 HA PRO A 52 -4.023 -4.917 15.018 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.530 -3.583 13.093 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.749 -5.319 13.009 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.225 -3.151 11.529 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.622 -4.682 10.924 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.246 -4.336 11.567 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.453 -5.888 11.758 1.00 0.00 H new ATOM 825 N GLN A 53 -5.462 -2.188 14.403 1.00 0.00 N ATOM 826 CA GLN A 53 -5.659 -0.819 14.867 1.00 0.00 C ATOM 827 C GLN A 53 -5.898 -0.785 16.373 1.00 0.00 C ATOM 828 O GLN A 53 -6.978 -1.138 16.847 1.00 0.00 O ATOM 829 CB GLN A 53 -6.838 -0.175 14.136 1.00 0.00 C ATOM 830 CG GLN A 53 -6.651 1.309 13.868 1.00 0.00 C ATOM 831 CD GLN A 53 -5.979 1.581 12.536 1.00 0.00 C ATOM 832 OE1 GLN A 53 -6.308 0.962 11.524 1.00 0.00 O ATOM 833 NE2 GLN A 53 -5.032 2.512 12.530 1.00 0.00 N ATOM 0 H GLN A 53 -6.225 -2.555 13.834 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.753 -0.253 14.648 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.992 -0.690 13.188 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.743 -0.318 14.727 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.622 1.803 13.888 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.054 1.746 14.668 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.791 3.000 13.393 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.545 2.739 11.663 1.00 0.00 H new ATOM 842 N ILE A 54 -4.885 -0.357 17.118 1.00 0.00 N ATOM 843 CA ILE A 54 -4.987 -0.276 18.570 1.00 0.00 C ATOM 844 C ILE A 54 -6.234 0.494 18.992 1.00 0.00 C ATOM 845 O ILE A 54 -6.411 1.655 18.628 1.00 0.00 O ATOM 846 CB ILE A 54 -3.747 0.400 19.184 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.472 -0.319 18.738 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.849 0.416 20.702 1.00 0.00 C ATOM 849 CD1 ILE A 54 -2.453 -1.790 19.094 1.00 0.00 C ATOM 0 H ILE A 54 -3.985 -0.061 16.741 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.053 -1.299 18.939 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.702 1.430 18.831 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.363 -0.213 17.659 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.611 0.168 19.195 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.965 0.897 21.121 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.739 0.969 21.001 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.916 -0.607 21.073 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.521 -2.236 18.748 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.530 -1.904 20.175 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.294 -2.291 18.615 1.00 0.00 H new ATOM 861 N GLY A 55 -7.095 -0.162 19.764 1.00 0.00 N ATOM 862 CA GLY A 55 -8.313 0.477 20.225 1.00 0.00 C ATOM 863 C GLY A 55 -9.559 -0.171 19.654 1.00 0.00 C ATOM 864 O GLY A 55 -10.649 -0.036 20.210 1.00 0.00 O ATOM 0 H GLY A 55 -6.970 -1.124 20.078 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.352 0.436 21.314 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.295 1.531 19.946 1.00 0.00 H new ATOM 868 N CYS A 56 -9.399 -0.877 18.539 1.00 0.00 N ATOM 869 CA CYS A 56 -10.520 -1.547 17.890 1.00 0.00 C ATOM 870 C CYS A 56 -10.809 -2.890 18.554 1.00 0.00 C ATOM 871 O CYS A 56 -9.940 -3.473 19.203 1.00 0.00 O ATOM 872 CB CYS A 56 -10.226 -1.754 16.403 1.00 0.00 C ATOM 873 SG CYS A 56 -11.703 -2.097 15.394 1.00 0.00 S ATOM 0 H CYS A 56 -8.504 -1.000 18.066 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.400 -0.913 17.995 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.732 -0.864 16.014 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.525 -2.581 16.294 1.00 0.00 H new ATOM 0 HG CYS A 56 -11.349 -2.695 14.295 1.00 0.00 H new ATOM 878 N SER A 57 -12.035 -3.375 18.387 1.00 0.00 N ATOM 879 CA SER A 57 -12.441 -4.647 18.973 1.00 0.00 C ATOM 880 C SER A 57 -12.539 -5.731 17.903 1.00 0.00 C ATOM 881 O SER A 57 -12.390 -6.919 18.191 1.00 0.00 O ATOM 882 CB SER A 57 -13.784 -4.498 19.689 1.00 0.00 C ATOM 883 OG SER A 57 -13.847 -5.331 20.834 1.00 0.00 O ATOM 0 H SER A 57 -12.765 -2.906 17.850 1.00 0.00 H new ATOM 0 HA SER A 57 -11.683 -4.943 19.698 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.929 -3.459 19.983 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.594 -4.752 19.006 1.00 0.00 H new ATOM 0 HG SER A 57 -14.715 -5.216 21.275 1.00 0.00 H new ATOM 889 N HIS A 58 -12.793 -5.312 16.667 1.00 0.00 N ATOM 890 CA HIS A 58 -12.911 -6.246 15.553 1.00 0.00 C ATOM 891 C HIS A 58 -11.701 -7.172 15.489 1.00 0.00 C ATOM 892 O HIS A 58 -10.601 -6.804 15.903 1.00 0.00 O ATOM 893 CB HIS A 58 -13.056 -5.484 14.235 1.00 0.00 C ATOM 894 CG HIS A 58 -13.673 -6.297 13.139 1.00 0.00 C ATOM 895 ND1 HIS A 58 -14.967 -6.770 13.190 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.166 -6.718 11.956 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.229 -7.448 12.087 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.153 -7.431 11.321 1.00 0.00 N ATOM 0 H HIS A 58 -12.921 -4.333 16.412 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.802 -6.853 15.713 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.664 -4.595 14.403 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.073 -5.141 13.913 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.620 -6.620 13.959 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.171 -6.528 11.582 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.164 -7.934 11.851 1.00 0.00 H new ATOM 906 N THR A 59 -11.910 -8.378 14.969 1.00 0.00 N ATOM 907 CA THR A 59 -10.838 -9.357 14.853 1.00 0.00 C ATOM 908 C THR A 59 -11.087 -10.310 13.690 1.00 0.00 C ATOM 909 O THR A 59 -10.745 -11.491 13.759 1.00 0.00 O ATOM 910 CB THR A 59 -10.682 -10.176 16.149 1.00 0.00 C ATOM 911 OG1 THR A 59 -11.950 -10.711 16.545 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.116 -9.315 17.268 1.00 0.00 C ATOM 0 H THR A 59 -12.813 -8.699 14.621 1.00 0.00 H new ATOM 0 HA THR A 59 -9.919 -8.799 14.672 1.00 0.00 H new ATOM 0 HB THR A 59 -9.988 -10.994 15.956 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.843 -11.232 17.368 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.015 -9.915 18.173 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.138 -8.933 16.974 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.789 -8.479 17.460 1.00 0.00 H new ATOM 920 N ASP A 60 -11.683 -9.790 12.623 1.00 0.00 N ATOM 921 CA ASP A 60 -11.976 -10.595 11.443 1.00 0.00 C ATOM 922 C ASP A 60 -11.669 -9.819 10.166 1.00 0.00 C ATOM 923 O ASP A 60 -12.466 -8.991 9.725 1.00 0.00 O ATOM 924 CB ASP A 60 -13.442 -11.033 11.449 1.00 0.00 C ATOM 925 CG ASP A 60 -13.606 -12.501 11.788 1.00 0.00 C ATOM 926 OD1 ASP A 60 -12.944 -13.338 11.139 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.397 -12.813 12.702 1.00 0.00 O ATOM 0 H ASP A 60 -11.973 -8.815 12.551 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.341 -11.480 11.470 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.995 -10.432 12.171 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.880 -10.838 10.470 1.00 0.00 H new ATOM 932 N ILE A 61 -10.509 -10.093 9.578 1.00 0.00 N ATOM 933 CA ILE A 61 -10.098 -9.420 8.352 1.00 0.00 C ATOM 934 C ILE A 61 -9.725 -10.428 7.270 1.00 0.00 C ATOM 935 O ILE A 61 -9.011 -11.397 7.529 1.00 0.00 O ATOM 936 CB ILE A 61 -8.900 -8.483 8.598 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.238 -7.466 9.690 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.508 -7.775 7.310 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.059 -6.615 10.108 1.00 0.00 C ATOM 0 H ILE A 61 -9.838 -10.776 9.930 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.950 -8.828 8.017 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.052 -9.080 8.933 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.038 -6.816 9.335 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.621 -7.995 10.562 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.660 -7.117 7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.232 -8.514 6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.351 -7.186 6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.371 -5.917 10.885 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.266 -7.256 10.494 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.689 -6.058 9.247 1.00 0.00 H new ATOM 951 N ARG A 62 -10.213 -10.193 6.056 1.00 0.00 N ATOM 952 CA ARG A 62 -9.931 -11.080 4.934 1.00 0.00 C ATOM 953 C ARG A 62 -9.299 -10.311 3.778 1.00 0.00 C ATOM 954 O ARG A 62 -9.671 -9.170 3.500 1.00 0.00 O ATOM 955 CB ARG A 62 -11.215 -11.766 4.464 1.00 0.00 C ATOM 956 CG ARG A 62 -11.226 -13.267 4.703 1.00 0.00 C ATOM 957 CD ARG A 62 -12.635 -13.833 4.621 1.00 0.00 C ATOM 958 NE ARG A 62 -12.639 -15.236 4.214 1.00 0.00 N ATOM 959 CZ ARG A 62 -12.510 -15.636 2.954 1.00 0.00 C ATOM 960 NH1 ARG A 62 -12.367 -14.744 1.984 1.00 0.00 N ATOM 961 NH2 ARG A 62 -12.523 -16.930 2.663 1.00 0.00 N ATOM 0 H ARG A 62 -10.806 -9.396 5.825 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.225 -11.838 5.271 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.065 -11.318 4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.350 -11.575 3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.592 -13.759 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.802 -13.484 5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.122 -13.736 5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.220 -13.248 3.911 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.747 -15.947 4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.356 -13.748 2.204 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.268 -15.053 1.017 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.632 -17.619 3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.424 -17.236 1.695 1.00 0.00 H new ATOM 975 N LYS A 63 -8.342 -10.942 3.107 1.00 0.00 N ATOM 976 CA LYS A 63 -7.658 -10.319 1.980 1.00 0.00 C ATOM 977 C LYS A 63 -8.656 -9.886 0.910 1.00 0.00 C ATOM 978 O LYS A 63 -8.389 -8.969 0.134 1.00 0.00 O ATOM 979 CB LYS A 63 -6.637 -11.286 1.378 1.00 0.00 C ATOM 980 CG LYS A 63 -5.405 -10.598 0.817 1.00 0.00 C ATOM 981 CD LYS A 63 -4.746 -11.433 -0.269 1.00 0.00 C ATOM 982 CE LYS A 63 -3.645 -12.316 0.298 1.00 0.00 C ATOM 983 NZ LYS A 63 -2.957 -13.097 -0.767 1.00 0.00 N ATOM 0 H LYS A 63 -8.022 -11.886 3.324 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.138 -9.434 2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.328 -11.998 2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.116 -11.859 0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.683 -9.625 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.691 -10.416 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.497 -12.054 -0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.330 -10.776 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.917 -11.697 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.070 -13.000 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.214 -13.686 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.647 -13.707 -1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.529 -12.444 -1.455 1.00 0.00 H new ATOM 997 N SER A 64 -9.807 -10.550 0.877 1.00 0.00 N ATOM 998 CA SER A 64 -10.844 -10.235 -0.099 1.00 0.00 C ATOM 999 C SER A 64 -11.508 -8.900 0.226 1.00 0.00 C ATOM 1000 O SER A 64 -12.090 -8.255 -0.646 1.00 0.00 O ATOM 1001 CB SER A 64 -11.895 -11.346 -0.134 1.00 0.00 C ATOM 1002 OG SER A 64 -11.314 -12.587 -0.493 1.00 0.00 O ATOM 0 H SER A 64 -10.045 -11.310 1.515 1.00 0.00 H new ATOM 0 HA SER A 64 -10.375 -10.158 -1.080 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.370 -11.432 0.843 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.678 -11.088 -0.847 1.00 0.00 H new ATOM 0 HG SER A 64 -12.006 -13.281 -0.506 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.416 -8.493 1.487 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.007 -7.235 1.929 1.00 0.00 C ATOM 1010 C ASP A 65 -10.974 -6.113 1.908 1.00 0.00 C ATOM 1011 O ASP A 65 -11.107 -5.119 2.624 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.587 -7.385 3.336 1.00 0.00 C ATOM 1013 CG ASP A 65 -13.830 -8.253 3.360 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -14.866 -7.820 2.813 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -13.766 -9.364 3.925 1.00 0.00 O ATOM 0 H ASP A 65 -10.938 -9.016 2.221 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.811 -6.978 1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.832 -7.818 3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.828 -6.399 3.734 1.00 0.00 H new ATOM 1020 N LEU A 66 -9.944 -6.279 1.086 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.886 -5.280 0.972 1.00 0.00 C ATOM 1022 C LEU A 66 -9.051 -4.454 -0.300 1.00 0.00 C ATOM 1023 O LEU A 66 -8.995 -4.987 -1.408 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.515 -5.958 0.980 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.153 -6.725 2.252 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -5.734 -7.266 2.164 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.310 -5.834 3.476 1.00 0.00 C ATOM 0 H LEU A 66 -9.818 -7.096 0.488 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.958 -4.610 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.468 -6.648 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.754 -5.196 0.810 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.837 -7.568 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.494 -7.809 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.654 -7.939 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.036 -6.438 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.048 -6.397 4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.651 -4.971 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.344 -5.496 3.550 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.253 -3.152 -0.131 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.422 -2.253 -1.266 1.00 0.00 C ATOM 1041 C ILE A 67 -8.391 -1.129 -1.235 1.00 0.00 C ATOM 1042 O ILE A 67 -7.802 -0.843 -0.193 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.834 -1.639 -1.292 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.196 -1.079 0.085 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.855 -2.677 -1.733 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.566 -0.441 0.137 1.00 0.00 C ATOM 0 H ILE A 67 -9.304 -2.696 0.780 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.278 -2.850 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.845 -0.820 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.151 -1.884 0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.449 -0.340 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.848 -2.228 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.604 -3.032 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.845 -3.516 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.755 -0.066 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.610 0.386 -0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.322 -1.182 -0.122 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.182 -0.494 -2.384 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.223 0.600 -2.487 1.00 0.00 C ATOM 1060 C GLN A 68 -7.908 1.946 -2.271 1.00 0.00 C ATOM 1061 O GLN A 68 -8.746 2.363 -3.070 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.537 0.578 -3.854 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.958 -0.779 -4.222 1.00 0.00 C ATOM 1064 CD GLN A 68 -4.907 -0.689 -5.310 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -4.598 0.396 -5.803 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -4.350 -1.833 -5.692 1.00 0.00 N ATOM 0 H GLN A 68 -8.663 -0.718 -3.255 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.472 0.466 -1.709 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.256 0.876 -4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.738 1.319 -3.862 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.519 -1.235 -3.335 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.763 -1.436 -4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.636 -2.710 -5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.636 -1.834 -6.421 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.545 2.621 -1.185 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.124 3.920 -0.864 1.00 0.00 C ATOM 1077 C ASP A 69 -7.447 5.029 -1.663 1.00 0.00 C ATOM 1078 O ASP A 69 -6.227 5.188 -1.612 1.00 0.00 O ATOM 1079 CB ASP A 69 -7.996 4.203 0.634 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.010 5.219 1.120 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.233 6.221 0.409 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.581 5.012 2.211 1.00 0.00 O ATOM 0 H ASP A 69 -6.853 2.290 -0.513 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.180 3.896 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.123 3.273 1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.991 4.567 0.847 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.246 5.792 -2.402 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.723 6.885 -3.214 1.00 0.00 C ATOM 1089 C GLU A 70 -7.699 8.188 -2.421 1.00 0.00 C ATOM 1090 O GLU A 70 -6.698 8.903 -2.412 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.566 7.059 -4.478 1.00 0.00 C ATOM 1092 CG GLU A 70 -8.270 8.343 -5.235 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.116 8.119 -6.727 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -7.194 7.376 -7.124 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.919 8.686 -7.497 1.00 0.00 O ATOM 0 H GLU A 70 -9.258 5.674 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.701 6.635 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.394 6.210 -5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.621 7.043 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.075 9.057 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.356 8.789 -4.842 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.810 8.490 -1.757 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.917 9.706 -0.960 1.00 0.00 C ATOM 1104 C ALA A 71 -7.801 9.783 0.077 1.00 0.00 C ATOM 1105 O ALA A 71 -7.415 10.869 0.510 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.277 9.775 -0.281 1.00 0.00 C ATOM 0 H ALA A 71 -9.649 7.909 -1.755 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.814 10.560 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.342 10.688 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.062 9.776 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.402 8.911 0.371 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.288 8.623 0.474 1.00 0.00 N ATOM 1113 CA LEU A 72 -6.217 8.558 1.462 1.00 0.00 C ATOM 1114 C LEU A 72 -4.851 8.665 0.792 1.00 0.00 C ATOM 1115 O LEU A 72 -3.990 9.427 1.233 1.00 0.00 O ATOM 1116 CB LEU A 72 -6.308 7.254 2.257 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.585 7.238 3.604 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -6.103 6.103 4.474 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -4.082 7.113 3.401 1.00 0.00 C ATOM 0 H LEU A 72 -7.597 7.715 0.127 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.333 9.400 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.361 7.030 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.907 6.448 1.642 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.786 8.180 4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.577 6.107 5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.171 6.236 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.933 5.152 3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.584 7.103 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.862 6.186 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.722 7.960 2.816 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.661 7.899 -0.277 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.400 7.908 -1.008 1.00 0.00 C ATOM 1133 C ARG A 73 -3.014 9.329 -1.410 1.00 0.00 C ATOM 1134 O ARG A 73 -1.915 9.793 -1.108 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.501 7.024 -2.253 1.00 0.00 C ATOM 1136 CG ARG A 73 -2.776 5.695 -2.118 1.00 0.00 C ATOM 1137 CD ARG A 73 -2.521 5.059 -3.475 1.00 0.00 C ATOM 1138 NE ARG A 73 -3.763 4.742 -4.174 1.00 0.00 N ATOM 1139 CZ ARG A 73 -3.814 4.043 -5.302 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -2.698 3.590 -5.856 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -4.983 3.796 -5.878 1.00 0.00 N ATOM 0 H ARG A 73 -5.364 7.265 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.626 7.512 -0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.552 6.834 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.093 7.565 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.828 5.847 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.368 5.017 -1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.924 5.736 -4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.936 4.148 -3.344 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.640 5.076 -3.774 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.797 3.778 -5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.740 3.053 -6.722 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.844 4.143 -5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.021 3.259 -6.744 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.927 10.013 -2.093 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.682 11.380 -2.537 1.00 0.00 C ATOM 1157 C ARG A 74 -3.237 12.259 -1.372 1.00 0.00 C ATOM 1158 O ARG A 74 -2.486 13.216 -1.556 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.942 11.963 -3.179 1.00 0.00 C ATOM 1160 CG ARG A 74 -5.330 11.288 -4.484 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.754 11.634 -4.888 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.945 11.563 -6.335 1.00 0.00 N ATOM 1163 CZ ARG A 74 -6.560 12.518 -7.174 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -5.965 13.610 -6.713 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -6.768 12.381 -8.477 1.00 0.00 N ATOM 0 H ARG A 74 -4.842 9.643 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.882 11.358 -3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.770 11.878 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.787 13.026 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.642 11.595 -5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.233 10.207 -4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.446 10.950 -4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.996 12.638 -4.539 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.399 10.735 -6.722 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.802 13.718 -5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.670 14.342 -7.360 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.224 11.542 -8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.472 13.115 -9.121 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.708 11.927 -0.174 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.358 12.685 1.021 1.00 0.00 C ATOM 1181 C ALA A 75 -1.856 12.634 1.283 1.00 0.00 C ATOM 1182 O ALA A 75 -1.206 13.669 1.427 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.124 12.158 2.224 1.00 0.00 C ATOM 0 H ALA A 75 -4.333 11.138 -0.006 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.636 13.726 0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.852 12.734 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.195 12.253 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.875 11.109 2.383 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.313 11.423 1.345 1.00 0.00 N ATOM 1190 CA ILE A 76 0.112 11.237 1.590 1.00 0.00 C ATOM 1191 C ILE A 76 0.949 11.953 0.535 1.00 0.00 C ATOM 1192 O ILE A 76 1.967 12.569 0.850 1.00 0.00 O ATOM 1193 CB ILE A 76 0.491 9.745 1.605 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.347 8.993 2.642 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.975 9.578 1.894 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.215 7.489 2.550 1.00 0.00 C ATOM 0 H ILE A 76 -1.838 10.556 1.229 1.00 0.00 H new ATOM 0 HA ILE A 76 0.322 11.666 2.570 1.00 0.00 H new ATOM 0 HB ILE A 76 0.282 9.323 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.050 9.315 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.395 9.266 2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.227 8.518 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.555 10.084 1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.208 10.013 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.836 7.022 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.540 7.155 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.826 7.205 2.705 1.00 0.00 H new