USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 785 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 70 SER OG : rot 180:sc= 0.236 USER MOD Set 1.2: A 72 SER OG : rot 85:sc= 0.21 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= 1.11 (180deg=0.852) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -72:sc= 0.324 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0329) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 62:sc= 0.0847 USER MOD Single : A 65 SER OG : rot 180:sc=-0.00996 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 23:sc= 0.00158 USER MOD Single : A 79 ASN : amide:sc=-0.00369 K(o=-0.0037,f=-2.1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 172:sc= 0.783 (180deg=0.739) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0.096) USER MOD Single : A 98 LYS NZ :NH3+ -171:sc= 1.03 (180deg=0.97) USER MOD Single : A 99 GLN : amide:sc= 0.424 X(o=0.42,f=0) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.019 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N GLY A 19 -2.919 13.852 0.375 1.00 0.00 N ATOM 106 CA GLY A 19 -4.159 13.249 0.884 1.00 0.00 C ATOM 107 C GLY A 19 -3.898 11.913 1.586 1.00 0.00 C ATOM 108 O GLY A 19 -2.863 11.280 1.376 1.00 0.00 O ATOM 0 HA2 GLY A 19 -4.638 13.937 1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.854 13.096 0.058 1.00 0.00 H new ATOM 112 N ASP A 20 -4.851 11.443 2.390 1.00 0.00 N ATOM 113 CA ASP A 20 -4.721 10.209 3.179 1.00 0.00 C ATOM 114 C ASP A 20 -5.995 9.340 3.106 1.00 0.00 C ATOM 115 O ASP A 20 -7.092 9.858 2.878 1.00 0.00 O ATOM 116 CB ASP A 20 -4.439 10.558 4.652 1.00 0.00 C ATOM 117 CG ASP A 20 -3.236 11.499 4.852 1.00 0.00 C ATOM 118 OD1 ASP A 20 -2.081 11.023 4.779 1.00 0.00 O ATOM 119 OD2 ASP A 20 -3.455 12.705 5.124 1.00 0.00 O ATOM 0 H ASP A 20 -5.748 11.911 2.516 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.893 9.639 2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.327 11.023 5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.263 9.636 5.206 1.00 0.00 H new ATOM 124 N ALA A 21 -5.860 8.025 3.332 1.00 0.00 N ATOM 125 CA ALA A 21 -6.940 7.039 3.193 1.00 0.00 C ATOM 126 C ALA A 21 -6.661 5.742 3.988 1.00 0.00 C ATOM 127 O ALA A 21 -6.494 4.653 3.429 1.00 0.00 O ATOM 128 CB ALA A 21 -7.178 6.792 1.700 1.00 0.00 C ATOM 0 H ALA A 21 -4.976 7.609 3.623 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.855 7.435 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.977 6.062 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.462 7.727 1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.264 6.411 1.244 1.00 0.00 H new ATOM 134 N ASN A 22 -6.607 5.877 5.318 1.00 0.00 N ATOM 135 CA ASN A 22 -6.603 4.787 6.306 1.00 0.00 C ATOM 136 C ASN A 22 -5.387 3.842 6.171 1.00 0.00 C ATOM 137 O ASN A 22 -4.370 4.048 6.836 1.00 0.00 O ATOM 138 CB ASN A 22 -7.958 4.043 6.289 1.00 0.00 C ATOM 139 CG ASN A 22 -9.129 4.964 6.631 1.00 0.00 C ATOM 140 OD1 ASN A 22 -9.834 5.456 5.758 1.00 0.00 O ATOM 141 ND2 ASN A 22 -9.361 5.235 7.905 1.00 0.00 N ATOM 0 H ASN A 22 -6.563 6.796 5.759 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.484 5.237 7.292 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.118 3.606 5.303 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.927 3.219 7.002 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.129 5.855 8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.772 4.824 8.629 1.00 0.00 H new ATOM 148 N ILE A 23 -5.483 2.796 5.335 1.00 0.00 N ATOM 149 CA ILE A 23 -4.412 1.804 5.107 1.00 0.00 C ATOM 150 C ILE A 23 -3.376 2.338 4.093 1.00 0.00 C ATOM 151 O ILE A 23 -2.221 1.902 4.111 1.00 0.00 O ATOM 152 CB ILE A 23 -5.040 0.452 4.673 1.00 0.00 C ATOM 153 CG1 ILE A 23 -6.145 -0.038 5.647 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.955 -0.640 4.547 1.00 0.00 C ATOM 155 CD1 ILE A 23 -7.028 -1.153 5.066 1.00 0.00 C ATOM 0 H ILE A 23 -6.322 2.610 4.786 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.867 1.630 6.035 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.504 0.630 3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.676 -0.397 6.563 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.776 0.807 5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.417 -1.579 4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.220 -0.338 3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.461 -0.775 5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.777 -1.445 5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.525 -0.792 4.166 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.409 -2.015 4.817 1.00 0.00 H new ATOM 167 N PHE A 24 -3.754 3.306 3.245 1.00 0.00 N ATOM 168 CA PHE A 24 -2.856 3.988 2.319 1.00 0.00 C ATOM 169 C PHE A 24 -2.904 5.521 2.458 1.00 0.00 C ATOM 170 O PHE A 24 -3.716 6.081 3.198 1.00 0.00 O ATOM 171 CB PHE A 24 -3.151 3.504 0.891 1.00 0.00 C ATOM 172 CG PHE A 24 -4.440 3.993 0.255 1.00 0.00 C ATOM 173 CD1 PHE A 24 -5.642 3.292 0.462 1.00 0.00 C ATOM 174 CD2 PHE A 24 -4.429 5.127 -0.580 1.00 0.00 C ATOM 175 CE1 PHE A 24 -6.828 3.724 -0.156 1.00 0.00 C ATOM 176 CE2 PHE A 24 -5.618 5.567 -1.188 1.00 0.00 C ATOM 177 CZ PHE A 24 -6.819 4.863 -0.978 1.00 0.00 C ATOM 0 H PHE A 24 -4.716 3.640 3.188 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.828 3.727 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.321 3.806 0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.168 2.414 0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.653 2.419 1.098 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.506 5.660 -0.754 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.747 3.180 0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.610 6.445 -1.816 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.732 5.198 -1.448 1.00 0.00 H new ATOM 187 N ARG A 25 -2.011 6.206 1.738 1.00 0.00 N ATOM 188 CA ARG A 25 -1.911 7.670 1.640 1.00 0.00 C ATOM 189 C ARG A 25 -1.501 8.042 0.213 1.00 0.00 C ATOM 190 O ARG A 25 -0.920 7.208 -0.476 1.00 0.00 O ATOM 191 CB ARG A 25 -0.877 8.229 2.640 1.00 0.00 C ATOM 192 CG ARG A 25 -1.079 7.783 4.100 1.00 0.00 C ATOM 193 CD ARG A 25 0.010 8.359 5.012 1.00 0.00 C ATOM 194 NE ARG A 25 -0.174 7.919 6.406 1.00 0.00 N ATOM 195 CZ ARG A 25 0.606 8.224 7.437 1.00 0.00 C ATOM 196 NH1 ARG A 25 1.668 8.995 7.308 1.00 0.00 N ATOM 197 NH2 ARG A 25 0.327 7.747 8.631 1.00 0.00 N ATOM 0 H ARG A 25 -1.301 5.733 1.178 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.881 8.105 1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.119 7.926 2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.907 9.318 2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.059 8.108 4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.065 6.695 4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.991 8.044 4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.012 9.448 4.966 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.979 7.322 6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.913 9.378 6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.245 9.209 8.122 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.486 7.145 8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.924 7.979 9.425 1.00 0.00 H new ATOM 211 N VAL A 26 -1.782 9.266 -0.228 1.00 0.00 N ATOM 212 CA VAL A 26 -1.445 9.753 -1.583 1.00 0.00 C ATOM 213 C VAL A 26 -0.639 11.056 -1.557 1.00 0.00 C ATOM 214 O VAL A 26 -0.979 11.996 -0.842 1.00 0.00 O ATOM 215 CB VAL A 26 -2.716 9.880 -2.458 1.00 0.00 C ATOM 216 CG1 VAL A 26 -3.802 10.798 -1.871 1.00 0.00 C ATOM 217 CG2 VAL A 26 -2.389 10.327 -3.893 1.00 0.00 C ATOM 0 H VAL A 26 -2.256 9.964 0.345 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.797 9.005 -2.040 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.127 8.870 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.656 10.830 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.120 10.412 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.400 11.804 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.311 10.402 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.896 11.299 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.728 9.597 -4.360 1.00 0.00 H new ATOM 227 N ASP A 27 0.409 11.125 -2.380 1.00 0.00 N ATOM 228 CA ASP A 27 1.148 12.356 -2.683 1.00 0.00 C ATOM 229 C ASP A 27 0.855 12.791 -4.125 1.00 0.00 C ATOM 230 O ASP A 27 1.192 12.079 -5.071 1.00 0.00 O ATOM 231 CB ASP A 27 2.652 12.132 -2.470 1.00 0.00 C ATOM 232 CG ASP A 27 3.433 13.436 -2.696 1.00 0.00 C ATOM 233 OD1 ASP A 27 3.784 13.735 -3.861 1.00 0.00 O ATOM 234 OD2 ASP A 27 3.659 14.175 -1.707 1.00 0.00 O ATOM 0 H ASP A 27 0.778 10.308 -2.867 1.00 0.00 H new ATOM 0 HA ASP A 27 0.825 13.150 -2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.831 11.766 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.011 11.364 -3.155 1.00 0.00 H new ATOM 239 N LYS A 28 0.226 13.959 -4.305 1.00 0.00 N ATOM 240 CA LYS A 28 -0.203 14.443 -5.629 1.00 0.00 C ATOM 241 C LYS A 28 0.883 15.226 -6.396 1.00 0.00 C ATOM 242 O LYS A 28 0.766 15.395 -7.612 1.00 0.00 O ATOM 243 CB LYS A 28 -1.491 15.279 -5.477 1.00 0.00 C ATOM 244 CG LYS A 28 -2.711 14.440 -5.043 1.00 0.00 C ATOM 245 CD LYS A 28 -3.069 14.533 -3.548 1.00 0.00 C ATOM 246 CE LYS A 28 -4.162 15.573 -3.236 1.00 0.00 C ATOM 247 NZ LYS A 28 -3.728 16.981 -3.458 1.00 0.00 N ATOM 0 H LYS A 28 -0.001 14.596 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.399 13.562 -6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.321 16.067 -4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.713 15.768 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.575 14.754 -5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.521 13.396 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.402 13.554 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.171 14.783 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.034 15.368 -3.857 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.476 15.458 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.511 17.626 -3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.914 17.194 -2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.455 17.107 -4.454 1.00 0.00 H new ATOM 261 N ASP A 29 1.934 15.690 -5.714 1.00 0.00 N ATOM 262 CA ASP A 29 3.010 16.512 -6.289 1.00 0.00 C ATOM 263 C ASP A 29 4.025 15.664 -7.074 1.00 0.00 C ATOM 264 O ASP A 29 4.311 15.943 -8.238 1.00 0.00 O ATOM 265 CB ASP A 29 3.710 17.272 -5.154 1.00 0.00 C ATOM 266 CG ASP A 29 4.734 18.281 -5.696 1.00 0.00 C ATOM 267 OD1 ASP A 29 4.314 19.353 -6.191 1.00 0.00 O ATOM 268 OD2 ASP A 29 5.956 18.004 -5.621 1.00 0.00 O ATOM 0 H ASP A 29 2.066 15.501 -4.720 1.00 0.00 H new ATOM 0 HA ASP A 29 2.571 17.215 -6.997 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.966 17.795 -4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.211 16.563 -4.495 1.00 0.00 H new ATOM 273 N SER A 30 4.535 14.603 -6.447 1.00 0.00 N ATOM 274 CA SER A 30 5.424 13.607 -7.062 1.00 0.00 C ATOM 275 C SER A 30 4.638 12.418 -7.666 1.00 0.00 C ATOM 276 O SER A 30 5.175 11.659 -8.480 1.00 0.00 O ATOM 277 CB SER A 30 6.436 13.146 -5.998 1.00 0.00 C ATOM 278 OG SER A 30 7.499 12.370 -6.544 1.00 0.00 O ATOM 0 H SER A 30 4.337 14.404 -5.466 1.00 0.00 H new ATOM 0 HA SER A 30 5.954 14.061 -7.900 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.851 14.020 -5.496 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.917 12.560 -5.240 1.00 0.00 H new ATOM 0 HG SER A 30 8.112 12.105 -5.827 1.00 0.00 H new ATOM 284 N ARG A 31 3.348 12.283 -7.308 1.00 0.00 N ATOM 285 CA ARG A 31 2.351 11.372 -7.899 1.00 0.00 C ATOM 286 C ARG A 31 2.567 9.918 -7.435 1.00 0.00 C ATOM 287 O ARG A 31 2.732 8.995 -8.237 1.00 0.00 O ATOM 288 CB ARG A 31 2.266 11.576 -9.429 1.00 0.00 C ATOM 289 CG ARG A 31 0.857 11.287 -9.988 1.00 0.00 C ATOM 290 CD ARG A 31 0.429 12.324 -11.040 1.00 0.00 C ATOM 291 NE ARG A 31 0.304 13.671 -10.443 1.00 0.00 N ATOM 292 CZ ARG A 31 0.168 14.824 -11.088 1.00 0.00 C ATOM 293 NH1 ARG A 31 0.029 14.887 -12.396 1.00 0.00 N ATOM 294 NH2 ARG A 31 0.174 15.943 -10.400 1.00 0.00 N ATOM 0 H ARG A 31 2.950 12.841 -6.553 1.00 0.00 H new ATOM 0 HA ARG A 31 1.359 11.624 -7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.546 12.601 -9.671 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.988 10.924 -9.920 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.841 10.292 -10.433 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.137 11.282 -9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.159 12.348 -11.849 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.524 12.028 -11.479 1.00 0.00 H new ATOM 0 HE ARG A 31 0.324 13.720 -9.424 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.023 14.031 -12.950 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.073 15.792 -12.855 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.282 15.918 -9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.071 16.837 -10.880 1.00 0.00 H new ATOM 308 N GLU A 32 2.610 9.737 -6.114 1.00 0.00 N ATOM 309 CA GLU A 32 2.990 8.500 -5.416 1.00 0.00 C ATOM 310 C GLU A 32 1.848 7.995 -4.510 1.00 0.00 C ATOM 311 O GLU A 32 0.950 8.766 -4.162 1.00 0.00 O ATOM 312 CB GLU A 32 4.251 8.726 -4.554 1.00 0.00 C ATOM 313 CG GLU A 32 5.365 9.541 -5.227 1.00 0.00 C ATOM 314 CD GLU A 32 6.609 9.639 -4.325 1.00 0.00 C ATOM 315 OE1 GLU A 32 6.603 10.441 -3.360 1.00 0.00 O ATOM 316 OE2 GLU A 32 7.609 8.923 -4.569 1.00 0.00 O ATOM 0 H GLU A 32 2.369 10.486 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 32 3.197 7.749 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.957 9.232 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.655 7.755 -4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.636 9.077 -6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.999 10.542 -5.455 1.00 0.00 H new ATOM 323 N VAL A 33 1.905 6.725 -4.093 1.00 0.00 N ATOM 324 CA VAL A 33 0.966 6.114 -3.126 1.00 0.00 C ATOM 325 C VAL A 33 1.738 5.349 -2.047 1.00 0.00 C ATOM 326 O VAL A 33 2.629 4.560 -2.339 1.00 0.00 O ATOM 327 CB VAL A 33 -0.104 5.236 -3.825 1.00 0.00 C ATOM 328 CG1 VAL A 33 0.456 3.983 -4.522 1.00 0.00 C ATOM 329 CG2 VAL A 33 -1.235 4.815 -2.870 1.00 0.00 C ATOM 0 H VAL A 33 2.618 6.074 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 33 0.415 6.916 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.504 5.890 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.361 3.428 -4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.171 4.282 -5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.955 3.350 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.957 4.202 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.818 4.241 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.732 5.704 -2.481 1.00 0.00 H new ATOM 339 N TYR A 34 1.427 5.594 -0.778 1.00 0.00 N ATOM 340 CA TYR A 34 2.101 4.954 0.353 1.00 0.00 C ATOM 341 C TYR A 34 1.155 3.917 0.958 1.00 0.00 C ATOM 342 O TYR A 34 0.061 4.275 1.377 1.00 0.00 O ATOM 343 CB TYR A 34 2.496 6.003 1.413 1.00 0.00 C ATOM 344 CG TYR A 34 3.202 7.279 0.967 1.00 0.00 C ATOM 345 CD1 TYR A 34 3.938 7.361 -0.236 1.00 0.00 C ATOM 346 CD2 TYR A 34 3.144 8.404 1.814 1.00 0.00 C ATOM 347 CE1 TYR A 34 4.592 8.557 -0.591 1.00 0.00 C ATOM 348 CE2 TYR A 34 3.796 9.601 1.467 1.00 0.00 C ATOM 349 CZ TYR A 34 4.525 9.682 0.261 1.00 0.00 C ATOM 350 OH TYR A 34 5.176 10.832 -0.073 1.00 0.00 O ATOM 0 H TYR A 34 0.694 6.247 -0.500 1.00 0.00 H new ATOM 0 HA TYR A 34 3.014 4.468 0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.588 6.297 1.939 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.140 5.509 2.141 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.000 6.502 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.592 8.346 2.741 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.146 8.614 -1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.739 10.457 2.123 1.00 0.00 H new ATOM 0 HH TYR A 34 5.025 11.507 0.621 1.00 0.00 H new ATOM 360 N MET A 35 1.556 2.648 1.030 1.00 0.00 N ATOM 361 CA MET A 35 0.899 1.639 1.857 1.00 0.00 C ATOM 362 C MET A 35 1.542 1.650 3.246 1.00 0.00 C ATOM 363 O MET A 35 2.734 1.924 3.370 1.00 0.00 O ATOM 364 CB MET A 35 1.030 0.280 1.151 1.00 0.00 C ATOM 365 CG MET A 35 0.353 -0.879 1.889 1.00 0.00 C ATOM 366 SD MET A 35 0.126 -2.350 0.862 1.00 0.00 S ATOM 367 CE MET A 35 -0.970 -3.282 1.960 1.00 0.00 C ATOM 0 H MET A 35 2.356 2.289 0.509 1.00 0.00 H new ATOM 0 HA MET A 35 -0.163 1.846 1.988 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.601 0.359 0.152 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.088 0.048 1.027 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.951 -1.143 2.761 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.618 -0.548 2.256 1.00 0.00 H new ATOM 0 HE1 MET A 35 -1.226 -4.234 1.496 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.465 -3.465 2.908 1.00 0.00 H new ATOM 0 HE3 MET A 35 -1.880 -2.709 2.138 1.00 0.00 H new ATOM 377 N HIS A 36 0.796 1.260 4.279 1.00 0.00 N ATOM 378 CA HIS A 36 1.299 1.147 5.662 1.00 0.00 C ATOM 379 C HIS A 36 2.591 0.293 5.799 1.00 0.00 C ATOM 380 O HIS A 36 3.399 0.501 6.707 1.00 0.00 O ATOM 381 CB HIS A 36 0.150 0.577 6.509 1.00 0.00 C ATOM 382 CG HIS A 36 0.481 0.449 7.971 1.00 0.00 C ATOM 383 ND1 HIS A 36 0.838 -0.738 8.618 1.00 0.00 N ATOM 384 CD2 HIS A 36 0.495 1.470 8.874 1.00 0.00 C ATOM 385 CE1 HIS A 36 1.058 -0.396 9.898 1.00 0.00 C ATOM 386 NE2 HIS A 36 0.861 0.922 10.083 1.00 0.00 N ATOM 0 H HIS A 36 -0.188 1.009 4.186 1.00 0.00 H new ATOM 0 HA HIS A 36 1.600 2.135 6.011 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.724 1.219 6.398 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.124 -0.404 6.120 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.264 2.507 8.679 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.353 -1.086 10.674 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.965 1.426 10.964 1.00 0.00 H new ATOM 394 N GLU A 37 2.797 -0.634 4.855 1.00 0.00 N ATOM 395 CA GLU A 37 3.973 -1.501 4.729 1.00 0.00 C ATOM 396 C GLU A 37 5.141 -0.846 3.963 1.00 0.00 C ATOM 397 O GLU A 37 6.298 -1.127 4.279 1.00 0.00 O ATOM 398 CB GLU A 37 3.576 -2.765 3.948 1.00 0.00 C ATOM 399 CG GLU A 37 2.446 -3.601 4.560 1.00 0.00 C ATOM 400 CD GLU A 37 2.020 -4.747 3.625 1.00 0.00 C ATOM 401 OE1 GLU A 37 2.564 -4.855 2.495 1.00 0.00 O ATOM 402 OE2 GLU A 37 1.129 -5.529 4.031 1.00 0.00 O ATOM 0 H GLU A 37 2.111 -0.808 4.120 1.00 0.00 H new ATOM 0 HA GLU A 37 4.308 -1.715 5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.279 -2.469 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.457 -3.398 3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.773 -4.012 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.589 -2.960 4.765 1.00 0.00 H new ATOM 409 N LYS A 38 4.867 -0.035 2.923 1.00 0.00 N ATOM 410 CA LYS A 38 5.870 0.406 1.929 1.00 0.00 C ATOM 411 C LYS A 38 5.443 1.511 0.937 1.00 0.00 C ATOM 412 O LYS A 38 4.275 1.653 0.578 1.00 0.00 O ATOM 413 CB LYS A 38 6.541 -0.802 1.216 1.00 0.00 C ATOM 414 CG LYS A 38 5.747 -2.072 0.862 1.00 0.00 C ATOM 415 CD LYS A 38 4.792 -1.947 -0.327 1.00 0.00 C ATOM 416 CE LYS A 38 4.308 -3.352 -0.753 1.00 0.00 C ATOM 417 NZ LYS A 38 3.095 -3.820 -0.010 1.00 0.00 N ATOM 0 H LYS A 38 3.934 0.337 2.746 1.00 0.00 H new ATOM 0 HA LYS A 38 6.614 0.918 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.965 -0.424 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.376 -1.115 1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.455 -2.874 0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.171 -2.374 1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.939 -1.324 -0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.295 -1.456 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.089 -3.343 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.116 -4.067 -0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.629 -4.578 -0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.378 -4.182 0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.435 -3.026 0.112 1.00 0.00 H new ATOM 431 N LYS A 39 6.433 2.281 0.461 1.00 0.00 N ATOM 432 CA LYS A 39 6.306 3.374 -0.511 1.00 0.00 C ATOM 433 C LYS A 39 6.219 2.842 -1.961 1.00 0.00 C ATOM 434 O LYS A 39 7.032 2.000 -2.347 1.00 0.00 O ATOM 435 CB LYS A 39 7.560 4.257 -0.347 1.00 0.00 C ATOM 436 CG LYS A 39 7.735 4.979 1.005 1.00 0.00 C ATOM 437 CD LYS A 39 6.651 6.036 1.264 1.00 0.00 C ATOM 438 CE LYS A 39 6.995 6.997 2.417 1.00 0.00 C ATOM 439 NZ LYS A 39 7.056 6.328 3.748 1.00 0.00 N ATOM 0 H LYS A 39 7.398 2.149 0.762 1.00 0.00 H new ATOM 0 HA LYS A 39 5.389 3.935 -0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.438 3.633 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.549 5.010 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.717 4.243 1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.714 5.456 1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.494 6.615 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.710 5.533 1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.956 7.469 2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.250 7.792 2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.291 7.030 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.133 5.900 3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.786 5.587 3.731 1.00 0.00 H new ATOM 453 N LEU A 40 5.255 3.327 -2.759 1.00 0.00 N ATOM 454 CA LEU A 40 5.028 2.940 -4.164 1.00 0.00 C ATOM 455 C LEU A 40 4.779 4.193 -5.016 1.00 0.00 C ATOM 456 O LEU A 40 4.171 5.159 -4.562 1.00 0.00 O ATOM 457 CB LEU A 40 3.821 1.982 -4.228 1.00 0.00 C ATOM 458 CG LEU A 40 4.110 0.591 -3.623 1.00 0.00 C ATOM 459 CD1 LEU A 40 2.889 0.073 -2.859 1.00 0.00 C ATOM 460 CD2 LEU A 40 4.537 -0.398 -4.710 1.00 0.00 C ATOM 0 H LEU A 40 4.587 4.025 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 40 5.907 2.432 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.981 2.432 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.517 1.862 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 40 4.935 0.689 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.111 -0.908 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.644 0.765 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.041 -0.007 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.735 -1.371 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.740 -0.495 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.441 -0.034 -5.199 1.00 0.00 H new ATOM 472 N ASP A 41 5.246 4.197 -6.262 1.00 0.00 N ATOM 473 CA ASP A 41 5.445 5.460 -6.993 1.00 0.00 C ATOM 474 C ASP A 41 5.528 5.298 -8.521 1.00 0.00 C ATOM 475 O ASP A 41 6.415 5.855 -9.165 1.00 0.00 O ATOM 476 CB ASP A 41 6.635 6.242 -6.394 1.00 0.00 C ATOM 477 CG ASP A 41 8.003 5.542 -6.510 1.00 0.00 C ATOM 478 OD1 ASP A 41 8.225 4.532 -5.796 1.00 0.00 O ATOM 479 OD2 ASP A 41 8.867 6.024 -7.283 1.00 0.00 O ATOM 0 H ASP A 41 5.492 3.357 -6.786 1.00 0.00 H new ATOM 0 HA ASP A 41 4.544 6.057 -6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.698 7.212 -6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.430 6.433 -5.341 1.00 0.00 H new ATOM 484 N LEU A 42 4.600 4.529 -9.106 1.00 0.00 N ATOM 485 CA LEU A 42 4.432 4.405 -10.567 1.00 0.00 C ATOM 486 C LEU A 42 3.883 5.728 -11.165 1.00 0.00 C ATOM 487 O LEU A 42 4.587 6.740 -11.210 1.00 0.00 O ATOM 488 CB LEU A 42 3.533 3.186 -10.914 1.00 0.00 C ATOM 489 CG LEU A 42 4.088 1.755 -10.895 1.00 0.00 C ATOM 490 CD1 LEU A 42 5.386 1.632 -11.683 1.00 0.00 C ATOM 491 CD2 LEU A 42 4.289 1.243 -9.462 1.00 0.00 C ATOM 0 H LEU A 42 3.935 3.967 -8.575 1.00 0.00 H new ATOM 0 HA LEU A 42 5.406 4.224 -11.021 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.688 3.208 -10.226 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.135 3.359 -11.914 1.00 0.00 H new ATOM 0 HG LEU A 42 3.339 1.131 -11.382 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.741 0.602 -11.641 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.209 1.913 -12.721 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.138 2.293 -11.251 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.683 0.227 -9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.993 1.891 -8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.334 1.247 -8.937 1.00 0.00 H new ATOM 503 N THR A 43 2.627 5.703 -11.631 1.00 0.00 N ATOM 504 CA THR A 43 1.902 6.779 -12.324 1.00 0.00 C ATOM 505 C THR A 43 0.430 6.660 -11.935 1.00 0.00 C ATOM 506 O THR A 43 0.027 5.670 -11.325 1.00 0.00 O ATOM 507 CB THR A 43 2.170 6.699 -13.848 1.00 0.00 C ATOM 508 OG1 THR A 43 3.555 6.867 -14.079 1.00 0.00 O ATOM 509 CG2 THR A 43 1.469 7.761 -14.704 1.00 0.00 C ATOM 0 H THR A 43 2.048 4.870 -11.526 1.00 0.00 H new ATOM 0 HA THR A 43 2.245 7.770 -12.027 1.00 0.00 H new ATOM 0 HB THR A 43 1.776 5.726 -14.143 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.735 6.816 -15.041 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.726 7.611 -15.753 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.390 7.674 -14.579 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.792 8.753 -14.389 1.00 0.00 H new ATOM 517 N ARG A 44 -0.374 7.682 -12.234 1.00 0.00 N ATOM 518 CA ARG A 44 -1.738 7.870 -11.719 1.00 0.00 C ATOM 519 C ARG A 44 -2.630 6.631 -11.870 1.00 0.00 C ATOM 520 O ARG A 44 -3.359 6.278 -10.947 1.00 0.00 O ATOM 521 CB ARG A 44 -2.369 9.062 -12.447 1.00 0.00 C ATOM 522 CG ARG A 44 -3.667 9.534 -11.769 1.00 0.00 C ATOM 523 CD ARG A 44 -4.227 10.801 -12.425 1.00 0.00 C ATOM 524 NE ARG A 44 -5.466 11.235 -11.754 1.00 0.00 N ATOM 525 CZ ARG A 44 -6.129 12.367 -11.969 1.00 0.00 C ATOM 526 NH1 ARG A 44 -5.731 13.254 -12.858 1.00 0.00 N ATOM 527 NH2 ARG A 44 -7.220 12.622 -11.279 1.00 0.00 N ATOM 0 H ARG A 44 -0.086 8.431 -12.864 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.662 8.053 -10.647 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.656 9.886 -12.477 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.580 8.785 -13.480 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.412 8.740 -11.819 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.476 9.726 -10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.485 11.598 -12.379 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.427 10.612 -13.480 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.854 10.603 -11.054 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.889 13.083 -13.408 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.265 14.112 -12.997 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.552 11.953 -10.584 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.734 13.489 -11.439 1.00 0.00 H new ATOM 541 N ALA A 45 -2.549 5.956 -13.018 1.00 0.00 N ATOM 542 CA ALA A 45 -3.302 4.739 -13.297 1.00 0.00 C ATOM 543 C ALA A 45 -2.901 3.591 -12.355 1.00 0.00 C ATOM 544 O ALA A 45 -3.774 3.022 -11.696 1.00 0.00 O ATOM 545 CB ALA A 45 -3.087 4.397 -14.774 1.00 0.00 C ATOM 0 H ALA A 45 -1.948 6.247 -13.790 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.365 4.895 -13.111 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.637 3.489 -15.021 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.446 5.219 -15.394 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.025 4.240 -14.960 1.00 0.00 H new ATOM 551 N GLU A 46 -1.603 3.298 -12.228 1.00 0.00 N ATOM 552 CA GLU A 46 -1.063 2.255 -11.358 1.00 0.00 C ATOM 553 C GLU A 46 -1.384 2.526 -9.885 1.00 0.00 C ATOM 554 O GLU A 46 -1.783 1.636 -9.133 1.00 0.00 O ATOM 555 CB GLU A 46 0.449 2.246 -11.553 1.00 0.00 C ATOM 556 CG GLU A 46 0.861 1.752 -12.942 1.00 0.00 C ATOM 557 CD GLU A 46 1.195 2.887 -13.927 1.00 0.00 C ATOM 558 OE1 GLU A 46 0.361 3.803 -14.102 1.00 0.00 O ATOM 559 OE2 GLU A 46 2.293 2.856 -14.531 1.00 0.00 O ATOM 0 H GLU A 46 -0.879 3.797 -12.745 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.511 1.295 -11.617 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.837 3.253 -11.400 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.906 1.610 -10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.729 1.101 -12.844 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.055 1.148 -13.357 1.00 0.00 H new ATOM 566 N TYR A 47 -1.267 3.798 -9.511 1.00 0.00 N ATOM 567 CA TYR A 47 -1.769 4.326 -8.236 1.00 0.00 C ATOM 568 C TYR A 47 -3.250 3.976 -8.038 1.00 0.00 C ATOM 569 O TYR A 47 -3.563 3.340 -7.032 1.00 0.00 O ATOM 570 CB TYR A 47 -1.496 5.842 -8.109 1.00 0.00 C ATOM 571 CG TYR A 47 -2.499 6.653 -7.286 1.00 0.00 C ATOM 572 CD1 TYR A 47 -2.923 6.217 -6.014 1.00 0.00 C ATOM 573 CD2 TYR A 47 -3.043 7.842 -7.814 1.00 0.00 C ATOM 574 CE1 TYR A 47 -3.881 6.943 -5.283 1.00 0.00 C ATOM 575 CE2 TYR A 47 -4.011 8.571 -7.097 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.445 8.116 -5.832 1.00 0.00 C ATOM 577 OH TYR A 47 -5.410 8.804 -5.155 1.00 0.00 O ATOM 0 H TYR A 47 -0.815 4.505 -10.091 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.220 3.842 -7.428 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.508 5.974 -7.668 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.457 6.266 -9.112 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.506 5.313 -5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.713 8.197 -8.779 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.185 6.604 -4.304 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.422 9.478 -7.514 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.683 9.585 -5.679 1.00 0.00 H new ATOM 587 N GLU A 48 -4.129 4.341 -8.981 1.00 0.00 N ATOM 588 CA GLU A 48 -5.567 4.078 -8.897 1.00 0.00 C ATOM 589 C GLU A 48 -5.854 2.596 -8.621 1.00 0.00 C ATOM 590 O GLU A 48 -6.665 2.269 -7.752 1.00 0.00 O ATOM 591 CB GLU A 48 -6.278 4.483 -10.203 1.00 0.00 C ATOM 592 CG GLU A 48 -7.754 4.811 -9.964 1.00 0.00 C ATOM 593 CD GLU A 48 -7.942 6.207 -9.345 1.00 0.00 C ATOM 594 OE1 GLU A 48 -7.777 7.220 -10.068 1.00 0.00 O ATOM 595 OE2 GLU A 48 -8.296 6.307 -8.146 1.00 0.00 O ATOM 0 H GLU A 48 -3.856 4.832 -9.832 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.948 4.676 -8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.778 5.349 -10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.198 3.673 -10.928 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.295 4.758 -10.909 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.190 4.060 -9.305 1.00 0.00 H new ATOM 602 N ILE A 49 -5.162 1.689 -9.325 1.00 0.00 N ATOM 603 CA ILE A 49 -5.355 0.246 -9.097 1.00 0.00 C ATOM 604 C ILE A 49 -4.924 -0.155 -7.692 1.00 0.00 C ATOM 605 O ILE A 49 -5.679 -0.837 -7.003 1.00 0.00 O ATOM 606 CB ILE A 49 -4.643 -0.684 -10.113 1.00 0.00 C ATOM 607 CG1 ILE A 49 -4.046 0.043 -11.317 1.00 0.00 C ATOM 608 CG2 ILE A 49 -5.623 -1.780 -10.553 1.00 0.00 C ATOM 609 CD1 ILE A 49 -3.246 -0.827 -12.284 1.00 0.00 C ATOM 0 H ILE A 49 -4.476 1.920 -10.044 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.427 0.103 -9.235 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.785 -1.123 -9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.856 0.519 -11.870 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.398 0.840 -10.953 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.133 -2.441 -11.268 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.938 -2.357 -9.683 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.495 -1.322 -11.020 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.868 -0.211 -13.100 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.408 -1.283 -11.756 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.889 -1.609 -12.687 1.00 0.00 H new ATOM 621 N LEU A 50 -3.716 0.239 -7.277 1.00 0.00 N ATOM 622 CA LEU A 50 -3.143 -0.201 -6.008 1.00 0.00 C ATOM 623 C LEU A 50 -3.903 0.396 -4.805 1.00 0.00 C ATOM 624 O LEU A 50 -4.179 -0.312 -3.838 1.00 0.00 O ATOM 625 CB LEU A 50 -1.635 0.116 -6.057 1.00 0.00 C ATOM 626 CG LEU A 50 -0.776 -0.754 -5.120 1.00 0.00 C ATOM 627 CD1 LEU A 50 0.647 -0.871 -5.688 1.00 0.00 C ATOM 628 CD2 LEU A 50 -0.720 -0.177 -3.701 1.00 0.00 C ATOM 0 H LEU A 50 -3.114 0.867 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.255 -1.275 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.281 -0.013 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.487 1.164 -5.798 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.237 -1.740 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.254 -1.487 -5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.608 -1.331 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.090 0.122 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.105 -0.819 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.287 0.823 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.728 -0.124 -3.290 1.00 0.00 H new ATOM 640 N SER A 51 -4.325 1.658 -4.872 1.00 0.00 N ATOM 641 CA SER A 51 -5.196 2.260 -3.857 1.00 0.00 C ATOM 642 C SER A 51 -6.571 1.577 -3.772 1.00 0.00 C ATOM 643 O SER A 51 -7.000 1.234 -2.664 1.00 0.00 O ATOM 644 CB SER A 51 -5.356 3.767 -4.092 1.00 0.00 C ATOM 645 OG SER A 51 -5.961 4.074 -5.336 1.00 0.00 O ATOM 0 H SER A 51 -4.074 2.293 -5.630 1.00 0.00 H new ATOM 0 HA SER A 51 -4.704 2.104 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.956 4.192 -3.288 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.376 4.242 -4.044 1.00 0.00 H new ATOM 0 HG SER A 51 -5.330 3.885 -6.062 1.00 0.00 H new ATOM 651 N LEU A 52 -7.244 1.298 -4.904 1.00 0.00 N ATOM 652 CA LEU A 52 -8.511 0.560 -4.871 1.00 0.00 C ATOM 653 C LEU A 52 -8.313 -0.870 -4.360 1.00 0.00 C ATOM 654 O LEU A 52 -9.163 -1.366 -3.629 1.00 0.00 O ATOM 655 CB LEU A 52 -9.170 0.549 -6.262 1.00 0.00 C ATOM 656 CG LEU A 52 -10.677 0.890 -6.300 1.00 0.00 C ATOM 657 CD1 LEU A 52 -11.548 -0.057 -5.463 1.00 0.00 C ATOM 658 CD2 LEU A 52 -10.936 2.346 -5.880 1.00 0.00 C ATOM 0 H LEU A 52 -6.934 1.569 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.174 1.074 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.641 1.258 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.030 -0.439 -6.701 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.972 0.755 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.592 0.246 -5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.438 -1.076 -5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.233 -0.015 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.006 2.551 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.573 2.502 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.413 3.019 -6.559 1.00 0.00 H new ATOM 670 N LEU A 53 -7.196 -1.523 -4.698 1.00 0.00 N ATOM 671 CA LEU A 53 -6.856 -2.859 -4.207 1.00 0.00 C ATOM 672 C LEU A 53 -6.728 -2.871 -2.680 1.00 0.00 C ATOM 673 O LEU A 53 -7.310 -3.727 -2.022 1.00 0.00 O ATOM 674 CB LEU A 53 -5.555 -3.317 -4.878 1.00 0.00 C ATOM 675 CG LEU A 53 -5.233 -4.799 -4.608 1.00 0.00 C ATOM 676 CD1 LEU A 53 -5.843 -5.708 -5.683 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.715 -4.959 -4.541 1.00 0.00 C ATOM 0 H LEU A 53 -6.495 -1.132 -5.328 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.656 -3.553 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.630 -3.157 -5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.731 -2.700 -4.521 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.675 -5.101 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.597 -6.747 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.926 -5.585 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.440 -5.439 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.467 -6.003 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.274 -4.649 -5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.319 -4.339 -3.736 1.00 0.00 H new ATOM 689 N ILE A 54 -6.008 -1.912 -2.094 1.00 0.00 N ATOM 690 CA ILE A 54 -5.917 -1.780 -0.629 1.00 0.00 C ATOM 691 C ILE A 54 -7.293 -1.479 -0.012 1.00 0.00 C ATOM 692 O ILE A 54 -7.648 -2.075 1.005 1.00 0.00 O ATOM 693 CB ILE A 54 -4.850 -0.719 -0.264 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.434 -1.212 -0.644 1.00 0.00 C ATOM 695 CG2 ILE A 54 -4.901 -0.395 1.238 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.358 -0.125 -0.534 1.00 0.00 C ATOM 0 H ILE A 54 -5.476 -1.211 -2.609 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.596 -2.730 -0.201 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.070 0.186 -0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.163 -2.047 0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.452 -1.592 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.144 0.352 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.887 -0.006 1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.709 -1.301 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.391 -0.541 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.606 0.701 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.312 0.239 0.492 1.00 0.00 H new ATOM 708 N SER A 55 -8.089 -0.605 -0.631 1.00 0.00 N ATOM 709 CA SER A 55 -9.437 -0.271 -0.147 1.00 0.00 C ATOM 710 C SER A 55 -10.404 -1.481 -0.175 1.00 0.00 C ATOM 711 O SER A 55 -11.142 -1.713 0.788 1.00 0.00 O ATOM 712 CB SER A 55 -10.000 0.883 -0.993 1.00 0.00 C ATOM 713 OG SER A 55 -11.185 1.412 -0.411 1.00 0.00 O ATOM 0 H SER A 55 -7.821 -0.108 -1.480 1.00 0.00 H new ATOM 0 HA SER A 55 -9.351 0.029 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.252 1.671 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.213 0.529 -2.002 1.00 0.00 H new ATOM 0 HG SER A 55 -11.523 2.145 -0.966 1.00 0.00 H new ATOM 719 N LYS A 56 -10.390 -2.283 -1.254 1.00 0.00 N ATOM 720 CA LYS A 56 -11.251 -3.468 -1.436 1.00 0.00 C ATOM 721 C LYS A 56 -10.701 -4.752 -0.768 1.00 0.00 C ATOM 722 O LYS A 56 -11.453 -5.713 -0.591 1.00 0.00 O ATOM 723 CB LYS A 56 -11.567 -3.637 -2.943 1.00 0.00 C ATOM 724 CG LYS A 56 -10.516 -4.389 -3.786 1.00 0.00 C ATOM 725 CD LYS A 56 -10.684 -4.080 -5.290 1.00 0.00 C ATOM 726 CE LYS A 56 -9.871 -4.980 -6.246 1.00 0.00 C ATOM 727 NZ LYS A 56 -10.458 -6.349 -6.361 1.00 0.00 N ATOM 0 H LYS A 56 -9.765 -2.122 -2.044 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.186 -3.295 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.518 -4.162 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.706 -2.646 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.515 -4.104 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.612 -5.462 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.740 -4.168 -5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.399 -3.043 -5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.832 -4.518 -7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.844 -5.055 -5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.882 -6.920 -7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.472 -6.800 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.429 -6.281 -6.727 1.00 0.00 H new ATOM 741 N LYS A 57 -9.408 -4.736 -0.407 1.00 0.00 N ATOM 742 CA LYS A 57 -8.563 -5.726 0.297 1.00 0.00 C ATOM 743 C LYS A 57 -7.636 -6.473 -0.685 1.00 0.00 C ATOM 744 O LYS A 57 -7.987 -6.684 -1.849 1.00 0.00 O ATOM 745 CB LYS A 57 -9.370 -6.691 1.191 1.00 0.00 C ATOM 746 CG LYS A 57 -8.533 -7.463 2.223 1.00 0.00 C ATOM 747 CD LYS A 57 -9.372 -8.204 3.280 1.00 0.00 C ATOM 748 CE LYS A 57 -10.279 -9.318 2.720 1.00 0.00 C ATOM 749 NZ LYS A 57 -11.647 -8.841 2.362 1.00 0.00 N ATOM 0 H LYS A 57 -8.849 -3.913 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.930 -5.161 0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.136 -6.122 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.887 -7.408 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.906 -8.185 1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.864 -6.766 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.699 -8.640 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.993 -7.478 3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.809 -9.749 1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.361 -10.115 3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.290 -9.655 2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.993 -8.194 3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.613 -8.342 1.450 1.00 0.00 H new ATOM 763 N GLY A 58 -6.463 -6.891 -0.181 1.00 0.00 N ATOM 764 CA GLY A 58 -5.318 -7.399 -0.948 1.00 0.00 C ATOM 765 C GLY A 58 -5.657 -8.375 -2.078 1.00 0.00 C ATOM 766 O GLY A 58 -5.346 -8.080 -3.230 1.00 0.00 O ATOM 0 H GLY A 58 -6.281 -6.883 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.784 -6.550 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.633 -7.893 -0.259 1.00 0.00 H new ATOM 770 N TYR A 59 -6.304 -9.508 -1.765 1.00 0.00 N ATOM 771 CA TYR A 59 -6.839 -10.467 -2.731 1.00 0.00 C ATOM 772 C TYR A 59 -5.707 -10.994 -3.632 1.00 0.00 C ATOM 773 O TYR A 59 -4.552 -11.105 -3.218 1.00 0.00 O ATOM 774 CB TYR A 59 -8.055 -9.799 -3.420 1.00 0.00 C ATOM 775 CG TYR A 59 -8.905 -10.680 -4.319 1.00 0.00 C ATOM 776 CD1 TYR A 59 -9.508 -11.846 -3.810 1.00 0.00 C ATOM 777 CD2 TYR A 59 -9.060 -10.352 -5.681 1.00 0.00 C ATOM 778 CE1 TYR A 59 -10.253 -12.690 -4.657 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.799 -11.193 -6.535 1.00 0.00 C ATOM 780 CZ TYR A 59 -10.399 -12.367 -6.026 1.00 0.00 C ATOM 781 OH TYR A 59 -11.112 -13.179 -6.856 1.00 0.00 O ATOM 0 H TYR A 59 -6.472 -9.787 -0.798 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.226 -11.380 -2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.699 -9.384 -2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.690 -8.961 -4.013 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.399 -12.095 -2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.610 -9.451 -6.071 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.713 -13.583 -4.261 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.907 -10.941 -7.580 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.110 -12.804 -7.761 1.00 0.00 H new ATOM 791 N VAL A 60 -6.030 -11.321 -4.872 1.00 0.00 N ATOM 792 CA VAL A 60 -5.051 -11.419 -5.953 1.00 0.00 C ATOM 793 C VAL A 60 -5.219 -10.214 -6.880 1.00 0.00 C ATOM 794 O VAL A 60 -6.307 -9.933 -7.379 1.00 0.00 O ATOM 795 CB VAL A 60 -5.168 -12.761 -6.687 1.00 0.00 C ATOM 796 CG1 VAL A 60 -4.097 -12.868 -7.790 1.00 0.00 C ATOM 797 CG2 VAL A 60 -4.977 -13.946 -5.723 1.00 0.00 C ATOM 0 H VAL A 60 -6.985 -11.528 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.040 -11.395 -5.546 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.167 -12.801 -7.121 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.195 -13.826 -8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.232 -12.059 -8.508 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.106 -12.795 -7.343 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.066 -14.882 -6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.990 -13.887 -5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.740 -13.909 -4.946 1.00 0.00 H new ATOM 807 N PHE A 61 -4.118 -9.493 -7.077 1.00 0.00 N ATOM 808 CA PHE A 61 -3.979 -8.317 -7.931 1.00 0.00 C ATOM 809 C PHE A 61 -3.863 -8.806 -9.389 1.00 0.00 C ATOM 810 O PHE A 61 -2.773 -8.999 -9.926 1.00 0.00 O ATOM 811 CB PHE A 61 -2.761 -7.540 -7.389 1.00 0.00 C ATOM 812 CG PHE A 61 -2.587 -6.062 -7.688 1.00 0.00 C ATOM 813 CD1 PHE A 61 -3.480 -5.336 -8.495 1.00 0.00 C ATOM 814 CD2 PHE A 61 -1.520 -5.384 -7.064 1.00 0.00 C ATOM 815 CE1 PHE A 61 -3.291 -3.957 -8.677 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.305 -4.013 -7.287 1.00 0.00 C ATOM 817 CZ PHE A 61 -2.196 -3.295 -8.098 1.00 0.00 C ATOM 0 H PHE A 61 -3.241 -9.731 -6.613 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.828 -7.634 -7.921 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.768 -7.649 -6.304 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.868 -8.048 -7.754 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.308 -5.837 -8.973 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.858 -5.926 -6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.998 -3.397 -9.271 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.459 -3.515 -6.837 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.041 -2.241 -8.276 1.00 0.00 H new ATOM 827 N SER A 62 -5.011 -9.153 -9.970 1.00 0.00 N ATOM 828 CA SER A 62 -5.140 -9.921 -11.218 1.00 0.00 C ATOM 829 C SER A 62 -5.109 -9.061 -12.485 1.00 0.00 C ATOM 830 O SER A 62 -5.637 -7.954 -12.489 1.00 0.00 O ATOM 831 CB SER A 62 -6.497 -10.632 -11.209 1.00 0.00 C ATOM 832 OG SER A 62 -6.579 -11.564 -10.139 1.00 0.00 O ATOM 0 H SER A 62 -5.915 -8.899 -9.572 1.00 0.00 H new ATOM 0 HA SER A 62 -4.288 -10.600 -11.248 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.296 -9.896 -11.117 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.647 -11.148 -12.157 1.00 0.00 H new ATOM 0 HG SER A 62 -6.497 -11.090 -9.285 1.00 0.00 H new ATOM 838 N ARG A 63 -4.632 -9.614 -13.610 1.00 0.00 N ATOM 839 CA ARG A 63 -4.647 -8.957 -14.931 1.00 0.00 C ATOM 840 C ARG A 63 -6.007 -8.348 -15.360 1.00 0.00 C ATOM 841 O ARG A 63 -6.048 -7.227 -15.863 1.00 0.00 O ATOM 842 CB ARG A 63 -4.027 -9.898 -15.992 1.00 0.00 C ATOM 843 CG ARG A 63 -4.892 -11.064 -16.521 1.00 0.00 C ATOM 844 CD ARG A 63 -5.016 -12.257 -15.557 1.00 0.00 C ATOM 845 NE ARG A 63 -6.407 -12.733 -15.433 1.00 0.00 N ATOM 846 CZ ARG A 63 -6.947 -13.379 -14.402 1.00 0.00 C ATOM 847 NH1 ARG A 63 -6.287 -13.638 -13.290 1.00 0.00 N ATOM 848 NH2 ARG A 63 -8.197 -13.769 -14.479 1.00 0.00 N ATOM 0 H ARG A 63 -4.218 -10.546 -13.631 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.021 -8.070 -14.841 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.729 -9.289 -16.846 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.116 -10.323 -15.570 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.891 -10.687 -16.742 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.468 -11.416 -17.462 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.385 -13.073 -15.909 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.644 -11.968 -14.574 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.023 -12.547 -16.225 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.317 -13.340 -13.192 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.747 -14.137 -12.528 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.741 -13.576 -15.320 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.625 -14.265 -13.698 1.00 0.00 H new ATOM 862 N GLU A 64 -7.133 -9.018 -15.088 1.00 0.00 N ATOM 863 CA GLU A 64 -8.476 -8.486 -15.357 1.00 0.00 C ATOM 864 C GLU A 64 -8.912 -7.436 -14.316 1.00 0.00 C ATOM 865 O GLU A 64 -9.461 -6.403 -14.685 1.00 0.00 O ATOM 866 CB GLU A 64 -9.461 -9.661 -15.423 1.00 0.00 C ATOM 867 CG GLU A 64 -9.366 -10.382 -16.775 1.00 0.00 C ATOM 868 CD GLU A 64 -10.216 -11.658 -16.793 1.00 0.00 C ATOM 869 OE1 GLU A 64 -11.454 -11.572 -16.973 1.00 0.00 O ATOM 870 OE2 GLU A 64 -9.641 -12.760 -16.627 1.00 0.00 O ATOM 0 H GLU A 64 -7.139 -9.950 -14.673 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.463 -7.962 -16.313 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.250 -10.363 -14.617 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.477 -9.297 -15.271 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.696 -9.713 -17.569 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.326 -10.634 -16.982 1.00 0.00 H new ATOM 877 N SER A 65 -8.614 -7.613 -13.025 1.00 0.00 N ATOM 878 CA SER A 65 -8.847 -6.562 -12.012 1.00 0.00 C ATOM 879 C SER A 65 -8.062 -5.285 -12.354 1.00 0.00 C ATOM 880 O SER A 65 -8.594 -4.181 -12.288 1.00 0.00 O ATOM 881 CB SER A 65 -8.444 -7.056 -10.613 1.00 0.00 C ATOM 882 OG SER A 65 -9.072 -8.290 -10.280 1.00 0.00 O ATOM 0 H SER A 65 -8.211 -8.472 -12.650 1.00 0.00 H new ATOM 0 HA SER A 65 -9.912 -6.331 -12.015 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.362 -7.177 -10.569 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.711 -6.302 -9.872 1.00 0.00 H new ATOM 0 HG SER A 65 -8.789 -8.570 -9.385 1.00 0.00 H new ATOM 888 N ILE A 66 -6.816 -5.438 -12.811 1.00 0.00 N ATOM 889 CA ILE A 66 -5.974 -4.364 -13.382 1.00 0.00 C ATOM 890 C ILE A 66 -6.660 -3.668 -14.568 1.00 0.00 C ATOM 891 O ILE A 66 -6.779 -2.439 -14.588 1.00 0.00 O ATOM 892 CB ILE A 66 -4.601 -4.970 -13.760 1.00 0.00 C ATOM 893 CG1 ILE A 66 -3.816 -5.412 -12.504 1.00 0.00 C ATOM 894 CG2 ILE A 66 -3.788 -4.069 -14.698 1.00 0.00 C ATOM 895 CD1 ILE A 66 -2.758 -4.436 -11.984 1.00 0.00 C ATOM 0 H ILE A 66 -6.342 -6.341 -12.797 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.823 -3.581 -12.639 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.797 -5.872 -14.340 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.531 -5.600 -11.703 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.327 -6.361 -12.723 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.836 -4.547 -14.927 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.345 -3.908 -15.621 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.605 -3.110 -14.213 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.277 -4.857 -11.102 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.010 -4.264 -12.758 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.233 -3.491 -11.722 1.00 0.00 H new ATOM 907 N ALA A 67 -7.152 -4.457 -15.521 1.00 0.00 N ATOM 908 CA ALA A 67 -7.906 -4.010 -16.692 1.00 0.00 C ATOM 909 C ALA A 67 -9.218 -3.303 -16.325 1.00 0.00 C ATOM 910 O ALA A 67 -9.722 -2.519 -17.123 1.00 0.00 O ATOM 911 CB ALA A 67 -8.216 -5.218 -17.586 1.00 0.00 C ATOM 0 H ALA A 67 -7.031 -5.470 -15.498 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.285 -3.284 -17.217 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.778 -4.889 -18.460 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.283 -5.682 -17.908 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.807 -5.943 -17.026 1.00 0.00 H new ATOM 917 N ILE A 68 -9.777 -3.571 -15.140 1.00 0.00 N ATOM 918 CA ILE A 68 -10.988 -2.898 -14.640 1.00 0.00 C ATOM 919 C ILE A 68 -10.640 -1.620 -13.849 1.00 0.00 C ATOM 920 O ILE A 68 -11.303 -0.598 -14.047 1.00 0.00 O ATOM 921 CB ILE A 68 -11.854 -3.901 -13.837 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.424 -4.997 -14.776 1.00 0.00 C ATOM 923 CG2 ILE A 68 -13.025 -3.199 -13.125 1.00 0.00 C ATOM 924 CD1 ILE A 68 -12.943 -6.237 -14.036 1.00 0.00 C ATOM 0 H ILE A 68 -9.402 -4.265 -14.494 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.586 -2.560 -15.486 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.207 -4.353 -13.085 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.236 -4.571 -15.366 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.647 -5.302 -15.477 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.609 -3.935 -12.573 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.635 -2.452 -12.433 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.661 -2.712 -13.864 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.325 -6.958 -14.758 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.130 -6.689 -13.468 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.743 -5.946 -13.355 1.00 0.00 H new ATOM 936 N GLU A 69 -9.616 -1.645 -12.984 1.00 0.00 N ATOM 937 CA GLU A 69 -9.335 -0.549 -12.043 1.00 0.00 C ATOM 938 C GLU A 69 -8.254 0.461 -12.496 1.00 0.00 C ATOM 939 O GLU A 69 -8.292 1.596 -12.018 1.00 0.00 O ATOM 940 CB GLU A 69 -9.026 -1.104 -10.640 1.00 0.00 C ATOM 941 CG GLU A 69 -10.103 -0.784 -9.604 1.00 0.00 C ATOM 942 CD GLU A 69 -11.459 -1.441 -9.901 1.00 0.00 C ATOM 943 OE1 GLU A 69 -11.580 -2.678 -9.744 1.00 0.00 O ATOM 944 OE2 GLU A 69 -12.425 -0.711 -10.231 1.00 0.00 O ATOM 0 H GLU A 69 -8.960 -2.423 -12.916 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.253 0.037 -12.015 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.906 -2.185 -10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.074 -0.697 -10.299 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.759 -1.109 -8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.236 0.297 -9.553 1.00 0.00 H new ATOM 951 N SER A 70 -7.334 0.136 -13.421 1.00 0.00 N ATOM 952 CA SER A 70 -6.670 1.202 -14.215 1.00 0.00 C ATOM 953 C SER A 70 -7.455 1.426 -15.519 1.00 0.00 C ATOM 954 O SER A 70 -7.944 2.535 -15.749 1.00 0.00 O ATOM 955 CB SER A 70 -5.164 0.938 -14.463 1.00 0.00 C ATOM 956 OG SER A 70 -4.748 1.213 -15.798 1.00 0.00 O ATOM 0 H SER A 70 -7.037 -0.815 -13.637 1.00 0.00 H new ATOM 0 HA SER A 70 -6.689 2.121 -13.629 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.579 1.549 -13.776 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.943 -0.104 -14.230 1.00 0.00 H new ATOM 0 HG SER A 70 -3.790 1.028 -15.887 1.00 0.00 H new ATOM 962 N GLU A 71 -7.581 0.383 -16.359 1.00 0.00 N ATOM 963 CA GLU A 71 -8.346 0.383 -17.619 1.00 0.00 C ATOM 964 C GLU A 71 -7.753 1.315 -18.708 1.00 0.00 C ATOM 965 O GLU A 71 -8.318 1.487 -19.788 1.00 0.00 O ATOM 966 CB GLU A 71 -9.835 0.641 -17.306 1.00 0.00 C ATOM 967 CG GLU A 71 -10.799 0.255 -18.437 1.00 0.00 C ATOM 968 CD GLU A 71 -12.259 0.287 -17.958 1.00 0.00 C ATOM 969 OE1 GLU A 71 -12.801 1.397 -17.733 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.897 -0.787 -17.838 1.00 0.00 O ATOM 0 H GLU A 71 -7.137 -0.516 -16.172 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.264 -0.603 -18.076 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.106 0.085 -16.409 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.967 1.699 -17.078 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.673 0.940 -19.275 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.555 -0.743 -18.802 1.00 0.00 H new ATOM 977 N SER A 72 -6.566 1.879 -18.480 1.00 0.00 N ATOM 978 CA SER A 72 -5.840 2.809 -19.368 1.00 0.00 C ATOM 979 C SER A 72 -5.232 2.126 -20.620 1.00 0.00 C ATOM 980 O SER A 72 -4.262 2.611 -21.209 1.00 0.00 O ATOM 981 CB SER A 72 -4.728 3.495 -18.549 1.00 0.00 C ATOM 982 OG SER A 72 -5.178 3.912 -17.260 1.00 0.00 O ATOM 0 H SER A 72 -6.049 1.692 -17.621 1.00 0.00 H new ATOM 0 HA SER A 72 -6.561 3.534 -19.745 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.890 2.808 -18.433 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.357 4.360 -19.099 1.00 0.00 H new ATOM 0 HG SER A 72 -5.116 3.161 -16.633 1.00 0.00 H new ATOM 988 N ILE A 73 -5.749 0.947 -20.980 1.00 0.00 N ATOM 989 CA ILE A 73 -5.078 -0.116 -21.742 1.00 0.00 C ATOM 990 C ILE A 73 -6.064 -0.712 -22.763 1.00 0.00 C ATOM 991 O ILE A 73 -7.217 -0.989 -22.425 1.00 0.00 O ATOM 992 CB ILE A 73 -4.585 -1.208 -20.753 1.00 0.00 C ATOM 993 CG1 ILE A 73 -3.730 -0.670 -19.579 1.00 0.00 C ATOM 994 CG2 ILE A 73 -3.839 -2.333 -21.491 1.00 0.00 C ATOM 995 CD1 ILE A 73 -2.328 -0.166 -19.951 1.00 0.00 C ATOM 0 H ILE A 73 -6.705 0.692 -20.733 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.221 0.287 -22.282 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.492 -1.610 -20.301 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.274 0.145 -19.102 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.626 -1.462 -18.837 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.506 -3.082 -20.772 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.507 -2.798 -22.216 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.974 -1.918 -22.008 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.819 0.187 -19.054 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.756 -0.979 -20.397 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.413 0.652 -20.666 1.00 0.00 H new ATOM 1007 N ASN A 74 -5.622 -0.918 -24.010 1.00 0.00 N ATOM 1008 CA ASN A 74 -6.497 -1.382 -25.100 1.00 0.00 C ATOM 1009 C ASN A 74 -6.992 -2.844 -24.943 1.00 0.00 C ATOM 1010 O ASN A 74 -8.211 -3.045 -24.998 1.00 0.00 O ATOM 1011 CB ASN A 74 -5.827 -1.123 -26.464 1.00 0.00 C ATOM 1012 CG ASN A 74 -5.706 0.366 -26.792 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -6.647 1.140 -26.643 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -4.549 0.816 -27.248 1.00 0.00 N ATOM 0 H ASN A 74 -4.653 -0.769 -24.293 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.411 -0.791 -25.044 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.834 -1.573 -26.467 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.403 -1.617 -27.246 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.440 1.804 -27.475 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.766 0.175 -27.373 1.00 0.00 H new ATOM 1021 N PRO A 75 -6.123 -3.866 -24.745 1.00 0.00 N ATOM 1022 CA PRO A 75 -6.566 -5.246 -24.528 1.00 0.00 C ATOM 1023 C PRO A 75 -7.180 -5.428 -23.132 1.00 0.00 C ATOM 1024 O PRO A 75 -6.600 -5.011 -22.130 1.00 0.00 O ATOM 1025 CB PRO A 75 -5.323 -6.122 -24.723 1.00 0.00 C ATOM 1026 CG PRO A 75 -4.170 -5.190 -24.361 1.00 0.00 C ATOM 1027 CD PRO A 75 -4.667 -3.840 -24.873 1.00 0.00 C ATOM 0 HA PRO A 75 -7.354 -5.524 -25.228 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.346 -7.001 -24.079 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.242 -6.481 -25.749 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.983 -5.173 -23.287 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.239 -5.489 -24.842 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.240 -3.022 -24.293 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.370 -3.684 -25.910 1.00 0.00 H new ATOM 1035 N GLU A 76 -8.331 -6.107 -23.064 1.00 0.00 N ATOM 1036 CA GLU A 76 -9.071 -6.379 -21.822 1.00 0.00 C ATOM 1037 C GLU A 76 -8.400 -7.444 -20.934 1.00 0.00 C ATOM 1038 O GLU A 76 -8.761 -7.604 -19.768 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.505 -6.805 -22.179 1.00 0.00 C ATOM 1040 CG GLU A 76 -11.316 -5.672 -22.824 1.00 0.00 C ATOM 1041 CD GLU A 76 -12.748 -6.133 -23.131 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -12.989 -6.684 -24.233 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -13.649 -5.944 -22.279 1.00 0.00 O ATOM 0 H GLU A 76 -8.787 -6.493 -23.891 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.078 -5.460 -21.236 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.468 -7.654 -22.861 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.015 -7.143 -21.277 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.342 -4.811 -22.156 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.829 -5.348 -23.743 1.00 0.00 H new ATOM 1050 N SER A 77 -7.397 -8.159 -21.449 1.00 0.00 N ATOM 1051 CA SER A 77 -6.487 -8.988 -20.647 1.00 0.00 C ATOM 1052 C SER A 77 -5.389 -8.162 -19.952 1.00 0.00 C ATOM 1053 O SER A 77 -4.837 -8.617 -18.954 1.00 0.00 O ATOM 1054 CB SER A 77 -5.844 -10.047 -21.557 1.00 0.00 C ATOM 1055 OG SER A 77 -5.158 -9.443 -22.652 1.00 0.00 O ATOM 0 H SER A 77 -7.189 -8.180 -22.447 1.00 0.00 H new ATOM 0 HA SER A 77 -7.074 -9.460 -19.860 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.147 -10.652 -20.978 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.613 -10.721 -21.934 1.00 0.00 H new ATOM 0 HG SER A 77 -4.758 -10.140 -23.212 1.00 0.00 H new ATOM 1061 N SER A 78 -5.064 -6.959 -20.453 1.00 0.00 N ATOM 1062 CA SER A 78 -4.064 -6.031 -19.888 1.00 0.00 C ATOM 1063 C SER A 78 -2.667 -6.649 -19.653 1.00 0.00 C ATOM 1064 O SER A 78 -1.925 -6.234 -18.760 1.00 0.00 O ATOM 1065 CB SER A 78 -4.637 -5.323 -18.651 1.00 0.00 C ATOM 1066 OG SER A 78 -5.485 -4.254 -19.057 1.00 0.00 O ATOM 0 H SER A 78 -5.506 -6.590 -21.295 1.00 0.00 H new ATOM 0 HA SER A 78 -3.870 -5.277 -20.651 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.197 -6.032 -18.042 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.826 -4.941 -18.031 1.00 0.00 H new ATOM 0 HG SER A 78 -5.807 -4.420 -19.968 1.00 0.00 H new ATOM 1072 N ASN A 79 -2.272 -7.613 -20.489 1.00 0.00 N ATOM 1073 CA ASN A 79 -1.000 -8.342 -20.399 1.00 0.00 C ATOM 1074 C ASN A 79 0.260 -7.442 -20.410 1.00 0.00 C ATOM 1075 O ASN A 79 1.217 -7.716 -19.688 1.00 0.00 O ATOM 1076 CB ASN A 79 -0.957 -9.428 -21.495 1.00 0.00 C ATOM 1077 CG ASN A 79 -0.972 -8.922 -22.943 1.00 0.00 C ATOM 1078 OD1 ASN A 79 -1.334 -7.792 -23.247 1.00 0.00 O ATOM 1079 ND2 ASN A 79 -0.574 -9.757 -23.885 1.00 0.00 N ATOM 0 H ASN A 79 -2.847 -7.919 -21.274 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.969 -8.814 -19.417 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.058 -10.028 -21.350 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.810 -10.092 -21.354 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.569 -9.460 -24.861 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.272 -10.699 -23.637 1.00 0.00 H new ATOM 1086 N LYS A 80 0.260 -6.330 -21.159 1.00 0.00 N ATOM 1087 CA LYS A 80 1.328 -5.310 -21.103 1.00 0.00 C ATOM 1088 C LYS A 80 1.199 -4.379 -19.888 1.00 0.00 C ATOM 1089 O LYS A 80 2.217 -3.914 -19.377 1.00 0.00 O ATOM 1090 CB LYS A 80 1.359 -4.515 -22.426 1.00 0.00 C ATOM 1091 CG LYS A 80 2.228 -5.151 -23.526 1.00 0.00 C ATOM 1092 CD LYS A 80 1.710 -6.504 -24.043 1.00 0.00 C ATOM 1093 CE LYS A 80 2.502 -7.016 -25.259 1.00 0.00 C ATOM 1094 NZ LYS A 80 3.898 -7.413 -24.924 1.00 0.00 N ATOM 0 H LYS A 80 -0.481 -6.108 -21.824 1.00 0.00 H new ATOM 0 HA LYS A 80 2.278 -5.830 -20.978 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.340 -4.412 -22.798 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.728 -3.509 -22.224 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.296 -4.458 -24.364 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.239 -5.286 -23.141 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.766 -7.240 -23.241 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.659 -6.407 -24.314 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.981 -7.871 -25.690 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.525 -6.239 -26.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.379 -7.749 -25.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.409 -6.593 -24.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.882 -8.175 -24.216 1.00 0.00 H new ATOM 1108 N SER A 81 -0.009 -4.161 -19.360 1.00 0.00 N ATOM 1109 CA SER A 81 -0.177 -3.441 -18.091 1.00 0.00 C ATOM 1110 C SER A 81 0.517 -4.201 -16.962 1.00 0.00 C ATOM 1111 O SER A 81 1.473 -3.682 -16.404 1.00 0.00 O ATOM 1112 CB SER A 81 -1.650 -3.194 -17.756 1.00 0.00 C ATOM 1113 OG SER A 81 -1.746 -2.114 -16.838 1.00 0.00 O ATOM 0 H SER A 81 -0.882 -4.470 -19.788 1.00 0.00 H new ATOM 0 HA SER A 81 0.289 -2.462 -18.202 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.208 -2.966 -18.664 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.093 -4.092 -17.326 1.00 0.00 H new ATOM 0 HG SER A 81 -2.688 -1.951 -16.622 1.00 0.00 H new ATOM 1119 N ILE A 82 0.155 -5.457 -16.673 1.00 0.00 N ATOM 1120 CA ILE A 82 0.784 -6.199 -15.562 1.00 0.00 C ATOM 1121 C ILE A 82 2.319 -6.287 -15.669 1.00 0.00 C ATOM 1122 O ILE A 82 3.017 -6.170 -14.665 1.00 0.00 O ATOM 1123 CB ILE A 82 0.152 -7.590 -15.392 1.00 0.00 C ATOM 1124 CG1 ILE A 82 0.187 -8.449 -16.668 1.00 0.00 C ATOM 1125 CG2 ILE A 82 -1.289 -7.466 -14.864 1.00 0.00 C ATOM 1126 CD1 ILE A 82 0.061 -9.949 -16.385 1.00 0.00 C ATOM 0 H ILE A 82 -0.559 -5.979 -17.182 1.00 0.00 H new ATOM 0 HA ILE A 82 0.583 -5.618 -14.662 1.00 0.00 H new ATOM 0 HB ILE A 82 0.767 -8.113 -14.660 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.623 -8.141 -17.329 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.120 -8.262 -17.199 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.721 -8.460 -14.750 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.280 -6.961 -13.898 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.887 -6.889 -15.570 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.092 -10.500 -17.325 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.886 -10.270 -15.748 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.885 -10.146 -15.880 1.00 0.00 H new ATOM 1138 N ASP A 83 2.836 -6.418 -16.891 1.00 0.00 N ATOM 1139 CA ASP A 83 4.266 -6.381 -17.219 1.00 0.00 C ATOM 1140 C ASP A 83 4.921 -5.015 -16.920 1.00 0.00 C ATOM 1141 O ASP A 83 5.965 -4.987 -16.265 1.00 0.00 O ATOM 1142 CB ASP A 83 4.454 -6.772 -18.689 1.00 0.00 C ATOM 1143 CG ASP A 83 5.939 -6.832 -19.080 1.00 0.00 C ATOM 1144 OD1 ASP A 83 6.633 -7.790 -18.664 1.00 0.00 O ATOM 1145 OD2 ASP A 83 6.402 -5.931 -19.820 1.00 0.00 O ATOM 0 H ASP A 83 2.249 -6.558 -17.713 1.00 0.00 H new ATOM 0 HA ASP A 83 4.774 -7.099 -16.575 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.992 -7.743 -18.869 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.940 -6.051 -19.325 1.00 0.00 H new ATOM 1150 N VAL A 84 4.309 -3.893 -17.335 1.00 0.00 N ATOM 1151 CA VAL A 84 4.760 -2.539 -16.921 1.00 0.00 C ATOM 1152 C VAL A 84 4.696 -2.394 -15.407 1.00 0.00 C ATOM 1153 O VAL A 84 5.645 -1.902 -14.804 1.00 0.00 O ATOM 1154 CB VAL A 84 3.936 -1.383 -17.545 1.00 0.00 C ATOM 1155 CG1 VAL A 84 4.192 0.003 -16.920 1.00 0.00 C ATOM 1156 CG2 VAL A 84 4.280 -1.272 -19.043 1.00 0.00 C ATOM 0 H VAL A 84 3.500 -3.889 -17.957 1.00 0.00 H new ATOM 0 HA VAL A 84 5.783 -2.457 -17.287 1.00 0.00 H new ATOM 0 HB VAL A 84 2.893 -1.639 -17.359 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.573 0.748 -17.420 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.942 -0.024 -15.859 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.243 0.267 -17.038 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.704 -0.461 -19.489 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.344 -1.067 -19.158 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.035 -2.209 -19.543 1.00 0.00 H new ATOM 1166 N ILE A 85 3.579 -2.803 -14.801 1.00 0.00 N ATOM 1167 CA ILE A 85 3.302 -2.594 -13.382 1.00 0.00 C ATOM 1168 C ILE A 85 4.349 -3.350 -12.570 1.00 0.00 C ATOM 1169 O ILE A 85 5.103 -2.703 -11.854 1.00 0.00 O ATOM 1170 CB ILE A 85 1.836 -2.975 -13.036 1.00 0.00 C ATOM 1171 CG1 ILE A 85 0.698 -2.185 -13.757 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.610 -2.866 -11.513 1.00 0.00 C ATOM 1173 CD1 ILE A 85 1.068 -1.055 -14.734 1.00 0.00 C ATOM 0 H ILE A 85 2.832 -3.295 -15.291 1.00 0.00 H new ATOM 0 HA ILE A 85 3.383 -1.538 -13.124 1.00 0.00 H new ATOM 0 HB ILE A 85 1.751 -3.995 -13.411 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.094 -2.908 -14.306 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.058 -1.755 -12.986 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.580 -3.135 -11.278 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.289 -3.543 -10.995 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.801 -1.843 -11.189 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.158 -0.615 -15.143 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.636 -0.289 -14.206 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.672 -1.459 -15.546 1.00 0.00 H new ATOM 1185 N ILE A 86 4.492 -4.669 -12.731 1.00 0.00 N ATOM 1186 CA ILE A 86 5.510 -5.444 -11.992 1.00 0.00 C ATOM 1187 C ILE A 86 6.931 -4.997 -12.331 1.00 0.00 C ATOM 1188 O ILE A 86 7.739 -4.850 -11.416 1.00 0.00 O ATOM 1189 CB ILE A 86 5.290 -6.964 -12.191 1.00 0.00 C ATOM 1190 CG1 ILE A 86 4.080 -7.447 -11.363 1.00 0.00 C ATOM 1191 CG2 ILE A 86 6.529 -7.820 -11.861 1.00 0.00 C ATOM 1192 CD1 ILE A 86 4.266 -7.432 -9.833 1.00 0.00 C ATOM 0 H ILE A 86 3.920 -5.227 -13.364 1.00 0.00 H new ATOM 0 HA ILE A 86 5.386 -5.239 -10.929 1.00 0.00 H new ATOM 0 HB ILE A 86 5.094 -7.101 -13.254 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.221 -6.824 -11.612 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.836 -8.464 -11.671 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.298 -8.873 -12.024 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.357 -7.526 -12.506 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.809 -7.668 -10.819 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.356 -7.790 -9.352 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.099 -8.080 -9.561 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.475 -6.415 -9.502 1.00 0.00 H new ATOM 1204 N GLY A 87 7.241 -4.718 -13.601 1.00 0.00 N ATOM 1205 CA GLY A 87 8.586 -4.312 -14.019 1.00 0.00 C ATOM 1206 C GLY A 87 9.031 -3.017 -13.344 1.00 0.00 C ATOM 1207 O GLY A 87 10.116 -2.963 -12.763 1.00 0.00 O ATOM 0 H GLY A 87 6.568 -4.767 -14.366 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.294 -5.106 -13.781 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.605 -4.181 -15.101 1.00 0.00 H new ATOM 1211 N ARG A 88 8.188 -1.976 -13.367 1.00 0.00 N ATOM 1212 CA ARG A 88 8.519 -0.669 -12.812 1.00 0.00 C ATOM 1213 C ARG A 88 8.261 -0.581 -11.297 1.00 0.00 C ATOM 1214 O ARG A 88 8.989 0.150 -10.635 1.00 0.00 O ATOM 1215 CB ARG A 88 7.786 0.417 -13.616 1.00 0.00 C ATOM 1216 CG ARG A 88 8.463 0.828 -14.937 1.00 0.00 C ATOM 1217 CD ARG A 88 8.478 -0.253 -16.028 1.00 0.00 C ATOM 1218 NE ARG A 88 8.973 0.289 -17.308 1.00 0.00 N ATOM 1219 CZ ARG A 88 10.237 0.413 -17.701 1.00 0.00 C ATOM 1220 NH1 ARG A 88 11.253 0.041 -16.949 1.00 0.00 N ATOM 1221 NH2 ARG A 88 10.502 0.926 -18.884 1.00 0.00 N ATOM 0 H ARG A 88 7.254 -2.023 -13.775 1.00 0.00 H new ATOM 0 HA ARG A 88 9.592 -0.505 -12.911 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.779 0.064 -13.838 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.683 1.303 -12.989 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.955 1.709 -15.328 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.491 1.121 -14.724 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.110 -1.083 -15.713 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.472 -0.651 -16.163 1.00 0.00 H new ATOM 0 HE ARG A 88 8.263 0.605 -17.968 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.085 -0.360 -16.026 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.208 0.154 -17.290 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.740 1.225 -19.492 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.469 1.024 -19.192 1.00 0.00 H new ATOM 1235 N LEU A 89 7.336 -1.360 -10.712 1.00 0.00 N ATOM 1236 CA LEU A 89 7.216 -1.547 -9.258 1.00 0.00 C ATOM 1237 C LEU A 89 8.517 -2.140 -8.713 1.00 0.00 C ATOM 1238 O LEU A 89 9.158 -1.504 -7.880 1.00 0.00 O ATOM 1239 CB LEU A 89 5.977 -2.428 -8.976 1.00 0.00 C ATOM 1240 CG LEU A 89 5.452 -2.446 -7.532 1.00 0.00 C ATOM 1241 CD1 LEU A 89 4.113 -3.198 -7.492 1.00 0.00 C ATOM 1242 CD2 LEU A 89 6.413 -3.081 -6.514 1.00 0.00 C ATOM 0 H LEU A 89 6.641 -1.884 -11.244 1.00 0.00 H new ATOM 0 HA LEU A 89 7.067 -0.598 -8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.169 -2.095 -9.627 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.216 -3.452 -9.263 1.00 0.00 H new ATOM 0 HG LEU A 89 5.340 -1.402 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.735 -3.214 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.393 -2.694 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.259 -4.220 -7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.963 -3.052 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.607 -4.116 -6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.351 -2.526 -6.504 1.00 0.00 H new ATOM 1254 N ARG A 90 8.947 -3.295 -9.244 1.00 0.00 N ATOM 1255 CA ARG A 90 10.215 -3.942 -8.867 1.00 0.00 C ATOM 1256 C ARG A 90 11.393 -2.992 -9.062 1.00 0.00 C ATOM 1257 O ARG A 90 12.214 -2.853 -8.162 1.00 0.00 O ATOM 1258 CB ARG A 90 10.441 -5.242 -9.655 1.00 0.00 C ATOM 1259 CG ARG A 90 9.535 -6.380 -9.157 1.00 0.00 C ATOM 1260 CD ARG A 90 9.740 -7.657 -9.981 1.00 0.00 C ATOM 1261 NE ARG A 90 11.081 -8.237 -9.764 1.00 0.00 N ATOM 1262 CZ ARG A 90 11.883 -8.787 -10.673 1.00 0.00 C ATOM 1263 NH1 ARG A 90 11.553 -8.878 -11.945 1.00 0.00 N ATOM 1264 NH2 ARG A 90 13.052 -9.263 -10.303 1.00 0.00 N ATOM 0 H ARG A 90 8.422 -3.810 -9.951 1.00 0.00 H new ATOM 0 HA ARG A 90 10.147 -4.197 -7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.250 -5.063 -10.713 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.485 -5.544 -9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.747 -6.584 -8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.492 -6.070 -9.217 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.979 -8.390 -9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.607 -7.433 -11.039 1.00 0.00 H new ATOM 0 HE ARG A 90 11.433 -8.213 -8.807 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.653 -8.519 -12.265 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.197 -9.307 -12.610 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.338 -9.209 -9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.672 -9.686 -10.994 1.00 0.00 H new ATOM 1278 N SER A 91 11.451 -2.276 -10.185 1.00 0.00 N ATOM 1279 CA SER A 91 12.502 -1.276 -10.409 1.00 0.00 C ATOM 1280 C SER A 91 12.522 -0.186 -9.331 1.00 0.00 C ATOM 1281 O SER A 91 13.573 0.072 -8.739 1.00 0.00 O ATOM 1282 CB SER A 91 12.390 -0.675 -11.817 1.00 0.00 C ATOM 1283 OG SER A 91 13.530 0.116 -12.127 1.00 0.00 O ATOM 0 H SER A 91 10.786 -2.367 -10.953 1.00 0.00 H new ATOM 0 HA SER A 91 13.458 -1.795 -10.333 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.288 -1.475 -12.550 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.490 -0.064 -11.885 1.00 0.00 H new ATOM 0 HG SER A 91 13.436 0.486 -13.029 1.00 0.00 H new ATOM 1289 N LYS A 92 11.369 0.398 -8.979 1.00 0.00 N ATOM 1290 CA LYS A 92 11.339 1.429 -7.936 1.00 0.00 C ATOM 1291 C LYS A 92 11.691 0.890 -6.535 1.00 0.00 C ATOM 1292 O LYS A 92 12.459 1.531 -5.815 1.00 0.00 O ATOM 1293 CB LYS A 92 9.982 2.138 -8.020 1.00 0.00 C ATOM 1294 CG LYS A 92 9.999 3.071 -9.246 1.00 0.00 C ATOM 1295 CD LYS A 92 8.592 3.457 -9.698 1.00 0.00 C ATOM 1296 CE LYS A 92 8.649 4.463 -10.861 1.00 0.00 C ATOM 1297 NZ LYS A 92 8.966 5.840 -10.393 1.00 0.00 N ATOM 0 H LYS A 92 10.462 0.179 -9.392 1.00 0.00 H new ATOM 0 HA LYS A 92 12.128 2.160 -8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.177 1.408 -8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.795 2.709 -7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.562 3.973 -9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.520 2.579 -10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.047 2.565 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.043 3.891 -8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.402 4.143 -11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.692 4.469 -11.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.128 6.457 -11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.170 6.209 -9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.822 5.818 -9.802 1.00 0.00 H new ATOM 1311 N ILE A 93 11.241 -0.316 -6.159 1.00 0.00 N ATOM 1312 CA ILE A 93 11.605 -0.930 -4.856 1.00 0.00 C ATOM 1313 C ILE A 93 12.987 -1.615 -4.830 1.00 0.00 C ATOM 1314 O ILE A 93 13.456 -1.991 -3.756 1.00 0.00 O ATOM 1315 CB ILE A 93 10.475 -1.818 -4.287 1.00 0.00 C ATOM 1316 CG1 ILE A 93 10.157 -3.123 -5.039 1.00 0.00 C ATOM 1317 CG2 ILE A 93 9.184 -0.989 -4.138 1.00 0.00 C ATOM 1318 CD1 ILE A 93 11.238 -4.211 -5.015 1.00 0.00 C ATOM 0 H ILE A 93 10.624 -0.892 -6.732 1.00 0.00 H new ATOM 0 HA ILE A 93 11.716 -0.089 -4.172 1.00 0.00 H new ATOM 0 HB ILE A 93 10.870 -2.152 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.242 -3.543 -4.621 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.947 -2.874 -6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.391 -1.620 -3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.363 -0.155 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.884 -0.605 -5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.894 -5.078 -5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.153 -3.825 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.436 -4.504 -3.984 1.00 0.00 H new ATOM 1330 N GLU A 94 13.651 -1.760 -5.980 1.00 0.00 N ATOM 1331 CA GLU A 94 15.070 -2.124 -6.078 1.00 0.00 C ATOM 1332 C GLU A 94 15.969 -0.877 -5.950 1.00 0.00 C ATOM 1333 O GLU A 94 17.012 -0.927 -5.292 1.00 0.00 O ATOM 1334 CB GLU A 94 15.308 -2.861 -7.409 1.00 0.00 C ATOM 1335 CG GLU A 94 16.746 -3.363 -7.568 1.00 0.00 C ATOM 1336 CD GLU A 94 16.893 -4.195 -8.851 1.00 0.00 C ATOM 1337 OE1 GLU A 94 17.097 -3.608 -9.940 1.00 0.00 O ATOM 1338 OE2 GLU A 94 16.815 -5.446 -8.781 1.00 0.00 O ATOM 0 H GLU A 94 13.209 -1.625 -6.889 1.00 0.00 H new ATOM 0 HA GLU A 94 15.334 -2.789 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.624 -3.707 -7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.069 -2.192 -8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.431 -2.516 -7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.023 -3.967 -6.704 1.00 0.00 H new ATOM 1345 N LYS A 95 15.564 0.257 -6.540 1.00 0.00 N ATOM 1346 CA LYS A 95 16.281 1.537 -6.449 1.00 0.00 C ATOM 1347 C LYS A 95 16.231 2.137 -5.028 1.00 0.00 C ATOM 1348 O LYS A 95 17.270 2.500 -4.470 1.00 0.00 O ATOM 1349 CB LYS A 95 15.702 2.483 -7.518 1.00 0.00 C ATOM 1350 CG LYS A 95 16.489 3.802 -7.618 1.00 0.00 C ATOM 1351 CD LYS A 95 15.981 4.722 -8.739 1.00 0.00 C ATOM 1352 CE LYS A 95 16.226 4.124 -10.134 1.00 0.00 C ATOM 1353 NZ LYS A 95 15.847 5.074 -11.218 1.00 0.00 N ATOM 0 H LYS A 95 14.715 0.311 -7.103 1.00 0.00 H new ATOM 0 HA LYS A 95 17.342 1.381 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.711 1.983 -8.486 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.660 2.701 -7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.425 4.329 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.542 3.578 -7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.914 4.902 -8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.479 5.689 -8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.278 3.858 -10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.652 3.203 -10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.027 4.635 -12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 14.837 5.309 -11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.412 5.943 -11.132 1.00 0.00 H new ATOM 1367 N ASN A 96 15.040 2.216 -4.423 1.00 0.00 N ATOM 1368 CA ASN A 96 14.857 2.577 -3.009 1.00 0.00 C ATOM 1369 C ASN A 96 15.208 1.394 -2.068 1.00 0.00 C ATOM 1370 O ASN A 96 15.105 0.240 -2.492 1.00 0.00 O ATOM 1371 CB ASN A 96 13.410 3.067 -2.800 1.00 0.00 C ATOM 1372 CG ASN A 96 13.156 4.410 -3.487 1.00 0.00 C ATOM 1373 OD1 ASN A 96 12.634 4.485 -4.592 1.00 0.00 O ATOM 1374 ND2 ASN A 96 13.538 5.513 -2.861 1.00 0.00 N ATOM 0 H ASN A 96 14.162 2.028 -4.908 1.00 0.00 H new ATOM 0 HA ASN A 96 15.544 3.383 -2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.715 2.323 -3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 96 13.210 3.162 -1.733 1.00 0.00 H new ATOM 0 HD21 ASN A 96 13.397 6.423 -3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.973 5.452 -1.940 1.00 0.00 H new ATOM 1381 N PRO A 97 15.594 1.646 -0.796 1.00 0.00 N ATOM 1382 CA PRO A 97 15.870 0.586 0.180 1.00 0.00 C ATOM 1383 C PRO A 97 14.589 -0.114 0.668 1.00 0.00 C ATOM 1384 O PRO A 97 14.634 -1.291 1.027 1.00 0.00 O ATOM 1385 CB PRO A 97 16.607 1.283 1.329 1.00 0.00 C ATOM 1386 CG PRO A 97 16.069 2.712 1.287 1.00 0.00 C ATOM 1387 CD PRO A 97 15.860 2.955 -0.207 1.00 0.00 C ATOM 0 HA PRO A 97 16.466 -0.212 -0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.400 0.805 2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.687 1.257 1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 97 15.138 2.810 1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.775 3.422 1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 97 15.027 3.636 -0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.742 3.412 -0.655 1.00 0.00 H new ATOM 1395 N LYS A 98 13.442 0.582 0.653 1.00 0.00 N ATOM 1396 CA LYS A 98 12.134 0.015 1.004 1.00 0.00 C ATOM 1397 C LYS A 98 11.704 -1.057 -0.026 1.00 0.00 C ATOM 1398 O LYS A 98 11.654 -0.787 -1.225 1.00 0.00 O ATOM 1399 CB LYS A 98 11.132 1.175 1.142 1.00 0.00 C ATOM 1400 CG LYS A 98 9.729 0.783 1.636 1.00 0.00 C ATOM 1401 CD LYS A 98 9.640 0.214 3.069 1.00 0.00 C ATOM 1402 CE LYS A 98 9.638 -1.329 3.142 1.00 0.00 C ATOM 1403 NZ LYS A 98 9.082 -1.813 4.442 1.00 0.00 N ATOM 0 H LYS A 98 13.398 1.567 0.393 1.00 0.00 H new ATOM 0 HA LYS A 98 12.179 -0.509 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.548 1.911 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.033 1.664 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.088 1.663 1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.319 0.043 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.481 0.592 3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.732 0.589 3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.048 -1.733 2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.655 -1.702 3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.233 -2.839 4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.562 -1.328 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.063 -1.609 4.481 1.00 0.00 H new ATOM 1417 N GLN A 99 11.383 -2.270 0.446 1.00 0.00 N ATOM 1418 CA GLN A 99 11.216 -3.488 -0.362 1.00 0.00 C ATOM 1419 C GLN A 99 10.034 -4.351 0.156 1.00 0.00 C ATOM 1420 O GLN A 99 9.668 -4.215 1.328 1.00 0.00 O ATOM 1421 CB GLN A 99 12.569 -4.237 -0.381 1.00 0.00 C ATOM 1422 CG GLN A 99 13.064 -4.731 0.993 1.00 0.00 C ATOM 1423 CD GLN A 99 14.531 -5.168 0.943 1.00 0.00 C ATOM 1424 OE1 GLN A 99 14.858 -6.348 0.874 1.00 0.00 O ATOM 1425 NE2 GLN A 99 15.469 -4.240 0.963 1.00 0.00 N ATOM 0 H GLN A 99 11.226 -2.437 1.440 1.00 0.00 H new ATOM 0 HA GLN A 99 10.948 -3.238 -1.389 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.482 -5.095 -1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.325 -3.578 -0.806 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.946 -3.936 1.730 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.447 -5.566 1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.211 -3.255 1.020 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.452 -4.508 0.921 1.00 0.00 H new ATOM 1434 N PRO A 100 9.415 -5.199 -0.696 1.00 0.00 N ATOM 1435 CA PRO A 100 8.206 -5.965 -0.381 1.00 0.00 C ATOM 1436 C PRO A 100 8.494 -7.219 0.448 1.00 0.00 C ATOM 1437 O PRO A 100 9.612 -7.736 0.472 1.00 0.00 O ATOM 1438 CB PRO A 100 7.615 -6.349 -1.743 1.00 0.00 C ATOM 1439 CG PRO A 100 8.841 -6.487 -2.635 1.00 0.00 C ATOM 1440 CD PRO A 100 9.754 -5.389 -2.102 1.00 0.00 C ATOM 0 HA PRO A 100 7.525 -5.371 0.228 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.052 -7.280 -1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.932 -5.585 -2.114 1.00 0.00 H new ATOM 0 HG2 PRO A 100 9.298 -7.473 -2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.598 -6.339 -3.687 1.00 0.00 H new ATOM 0 HD2 PRO A 100 10.801 -5.671 -2.212 1.00 0.00 H new ATOM 0 HD3 PRO A 100 9.613 -4.464 -2.661 1.00 0.00 H new ATOM 1448 N GLN A 101 7.428 -7.745 1.061 1.00 0.00 N ATOM 1449 CA GLN A 101 7.397 -9.087 1.653 1.00 0.00 C ATOM 1450 C GLN A 101 5.978 -9.689 1.674 1.00 0.00 C ATOM 1451 O GLN A 101 5.838 -10.904 1.533 1.00 0.00 O ATOM 1452 CB GLN A 101 8.053 -9.064 3.048 1.00 0.00 C ATOM 1453 CG GLN A 101 7.204 -8.436 4.163 1.00 0.00 C ATOM 1454 CD GLN A 101 7.964 -8.371 5.490 1.00 0.00 C ATOM 1455 OE1 GLN A 101 8.253 -9.378 6.127 1.00 0.00 O ATOM 1456 NE2 GLN A 101 8.339 -7.194 5.957 1.00 0.00 N ATOM 0 H GLN A 101 6.547 -7.241 1.161 1.00 0.00 H new ATOM 0 HA GLN A 101 7.982 -9.752 1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.298 -10.087 3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.994 -8.518 2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.902 -7.431 3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.291 -9.017 4.295 1.00 0.00 H new ATOM 0 HE21 GLN A 101 8.109 -6.344 5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.859 -7.135 6.832 1.00 0.00 H new ATOM 1465 N TYR A 102 4.925 -8.861 1.801 1.00 0.00 N ATOM 1466 CA TYR A 102 3.526 -9.338 1.851 1.00 0.00 C ATOM 1467 C TYR A 102 2.788 -9.299 0.500 1.00 0.00 C ATOM 1468 O TYR A 102 1.642 -9.746 0.409 1.00 0.00 O ATOM 1469 CB TYR A 102 2.765 -8.545 2.924 1.00 0.00 C ATOM 1470 CG TYR A 102 3.378 -8.592 4.313 1.00 0.00 C ATOM 1471 CD1 TYR A 102 3.349 -9.789 5.056 1.00 0.00 C ATOM 1472 CD2 TYR A 102 3.979 -7.443 4.868 1.00 0.00 C ATOM 1473 CE1 TYR A 102 3.914 -9.840 6.345 1.00 0.00 C ATOM 1474 CE2 TYR A 102 4.538 -7.483 6.161 1.00 0.00 C ATOM 1475 CZ TYR A 102 4.508 -8.685 6.905 1.00 0.00 C ATOM 1476 OH TYR A 102 5.047 -8.738 8.155 1.00 0.00 O ATOM 0 H TYR A 102 5.016 -7.848 1.872 1.00 0.00 H new ATOM 0 HA TYR A 102 3.561 -10.396 2.111 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.700 -7.504 2.607 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.745 -8.925 2.980 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.891 -10.672 4.635 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.011 -6.526 4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.894 -10.762 6.907 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.989 -6.597 6.583 1.00 0.00 H new ATOM 0 HH TYR A 102 5.415 -7.861 8.390 1.00 0.00 H new ATOM 1486 N ILE A 103 3.433 -8.802 -0.565 1.00 0.00 N ATOM 1487 CA ILE A 103 2.982 -8.992 -1.958 1.00 0.00 C ATOM 1488 C ILE A 103 3.826 -10.095 -2.630 1.00 0.00 C ATOM 1489 O ILE A 103 5.055 -10.079 -2.545 1.00 0.00 O ATOM 1490 CB ILE A 103 2.998 -7.647 -2.737 1.00 0.00 C ATOM 1491 CG1 ILE A 103 2.392 -7.831 -4.148 1.00 0.00 C ATOM 1492 CG2 ILE A 103 4.384 -6.982 -2.798 1.00 0.00 C ATOM 1493 CD1 ILE A 103 2.168 -6.514 -4.903 1.00 0.00 C ATOM 0 H ILE A 103 4.289 -8.252 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 103 1.945 -9.327 -1.966 1.00 0.00 H new ATOM 0 HB ILE A 103 2.373 -6.955 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.052 -8.468 -4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.440 -8.354 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.316 -6.049 -3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.733 -6.774 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.087 -7.651 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.741 -6.725 -5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.483 -5.882 -4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.120 -5.998 -5.025 1.00 0.00 H new ATOM 1505 N ILE A 104 3.178 -11.063 -3.287 1.00 0.00 N ATOM 1506 CA ILE A 104 3.825 -12.207 -3.975 1.00 0.00 C ATOM 1507 C ILE A 104 3.294 -12.318 -5.415 1.00 0.00 C ATOM 1508 O ILE A 104 2.090 -12.410 -5.614 1.00 0.00 O ATOM 1509 CB ILE A 104 3.567 -13.520 -3.183 1.00 0.00 C ATOM 1510 CG1 ILE A 104 4.071 -13.410 -1.721 1.00 0.00 C ATOM 1511 CG2 ILE A 104 4.227 -14.719 -3.897 1.00 0.00 C ATOM 1512 CD1 ILE A 104 3.774 -14.636 -0.847 1.00 0.00 C ATOM 0 H ILE A 104 2.161 -11.081 -3.362 1.00 0.00 H new ATOM 0 HA ILE A 104 4.902 -12.042 -4.017 1.00 0.00 H new ATOM 0 HB ILE A 104 2.490 -13.683 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.148 -13.242 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.617 -12.533 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.037 -15.630 -3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.809 -14.821 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.302 -14.553 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.163 -14.469 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.697 -14.795 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.251 -15.515 -1.279 1.00 0.00 H new ATOM 1524 N SER A 105 4.155 -12.342 -6.433 1.00 0.00 N ATOM 1525 CA SER A 105 3.735 -12.481 -7.833 1.00 0.00 C ATOM 1526 C SER A 105 3.599 -13.954 -8.258 1.00 0.00 C ATOM 1527 O SER A 105 4.448 -14.791 -7.937 1.00 0.00 O ATOM 1528 CB SER A 105 4.693 -11.733 -8.766 1.00 0.00 C ATOM 1529 OG SER A 105 4.126 -11.672 -10.068 1.00 0.00 O ATOM 0 H SER A 105 5.165 -12.266 -6.313 1.00 0.00 H new ATOM 0 HA SER A 105 2.746 -12.031 -7.915 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.876 -10.727 -8.388 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.657 -12.241 -8.800 1.00 0.00 H new ATOM 0 HG SER A 105 4.735 -11.193 -10.668 1.00 0.00 H new ATOM 1535 N VAL A 106 2.533 -14.258 -9.003 1.00 0.00 N ATOM 1536 CA VAL A 106 2.202 -15.582 -9.561 1.00 0.00 C ATOM 1537 C VAL A 106 1.917 -15.423 -11.060 1.00 0.00 C ATOM 1538 O VAL A 106 0.864 -14.920 -11.464 1.00 0.00 O ATOM 1539 CB VAL A 106 1.000 -16.231 -8.826 1.00 0.00 C ATOM 1540 CG1 VAL A 106 0.740 -17.651 -9.357 1.00 0.00 C ATOM 1541 CG2 VAL A 106 1.225 -16.310 -7.305 1.00 0.00 C ATOM 0 H VAL A 106 1.838 -13.553 -9.249 1.00 0.00 H new ATOM 0 HA VAL A 106 3.049 -16.253 -9.417 1.00 0.00 H new ATOM 0 HB VAL A 106 0.138 -15.593 -9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.107 -18.088 -8.828 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.518 -17.606 -10.423 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.625 -18.267 -9.197 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.358 -16.771 -6.832 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.112 -16.909 -7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.365 -15.306 -6.905 1.00 0.00 H new ATOM 1601 N GLY A 110 -1.637 -13.214 -11.533 1.00 0.00 N ATOM 1602 CA GLY A 110 -1.599 -11.921 -10.837 1.00 0.00 C ATOM 1603 C GLY A 110 -0.679 -11.941 -9.624 1.00 0.00 C ATOM 1604 O GLY A 110 0.202 -12.795 -9.521 1.00 0.00 O ATOM 0 HA2 GLY A 110 -1.265 -11.148 -11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.607 -11.652 -10.521 1.00 0.00 H new ATOM 1608 N TYR A 111 -0.845 -10.987 -8.708 1.00 0.00 N ATOM 1609 CA TYR A 111 0.022 -10.862 -7.525 1.00 0.00 C ATOM 1610 C TYR A 111 -0.791 -10.899 -6.218 1.00 0.00 C ATOM 1611 O TYR A 111 -1.564 -9.994 -5.917 1.00 0.00 O ATOM 1612 CB TYR A 111 0.972 -9.641 -7.632 1.00 0.00 C ATOM 1613 CG TYR A 111 0.854 -8.742 -8.860 1.00 0.00 C ATOM 1614 CD1 TYR A 111 1.076 -9.229 -10.166 1.00 0.00 C ATOM 1615 CD2 TYR A 111 0.556 -7.382 -8.681 1.00 0.00 C ATOM 1616 CE1 TYR A 111 0.891 -8.385 -11.280 1.00 0.00 C ATOM 1617 CE2 TYR A 111 0.385 -6.524 -9.780 1.00 0.00 C ATOM 1618 CZ TYR A 111 0.536 -7.031 -11.087 1.00 0.00 C ATOM 1619 OH TYR A 111 0.378 -6.198 -12.151 1.00 0.00 O ATOM 0 H TYR A 111 -1.579 -10.280 -8.760 1.00 0.00 H new ATOM 0 HA TYR A 111 0.672 -11.736 -7.494 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.818 -9.021 -6.749 1.00 0.00 H new ATOM 0 HB3 TYR A 111 1.996 -10.011 -7.587 1.00 0.00 H new ATOM 0 HD1 TYR A 111 1.389 -10.252 -10.313 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.456 -6.988 -7.680 1.00 0.00 H new ATOM 0 HE1 TYR A 111 1.020 -8.773 -12.280 1.00 0.00 H new ATOM 0 HE2 TYR A 111 0.140 -5.484 -9.625 1.00 0.00 H new ATOM 0 HH TYR A 111 0.133 -5.304 -11.833 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.640 -11.968 -5.433 1.00 0.00 N ATOM 1630 CA LYS A 112 -1.327 -12.161 -4.154 1.00 0.00 C ATOM 1631 C LYS A 112 -0.881 -11.120 -3.110 1.00 0.00 C ATOM 1632 O LYS A 112 0.306 -10.800 -3.004 1.00 0.00 O ATOM 1633 CB LYS A 112 -1.097 -13.614 -3.695 1.00 0.00 C ATOM 1634 CG LYS A 112 -1.944 -13.984 -2.463 1.00 0.00 C ATOM 1635 CD LYS A 112 -1.884 -15.479 -2.119 1.00 0.00 C ATOM 1636 CE LYS A 112 -0.473 -15.938 -1.713 1.00 0.00 C ATOM 1637 NZ LYS A 112 -0.458 -17.370 -1.297 1.00 0.00 N ATOM 0 H LYS A 112 -0.022 -12.742 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.398 -12.001 -4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.337 -14.293 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.042 -13.755 -3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.600 -13.406 -1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.981 -13.700 -2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.578 -15.689 -1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.217 -16.059 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.211 -15.795 -2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.110 -15.317 -0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.509 -17.644 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.092 -17.502 -0.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.781 -17.964 -2.087 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.833 -10.609 -2.329 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.644 -9.578 -1.304 1.00 0.00 C ATOM 1653 C LEU A 113 -2.673 -9.788 -0.178 1.00 0.00 C ATOM 1654 O LEU A 113 -3.662 -10.499 -0.354 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.789 -8.186 -1.974 1.00 0.00 C ATOM 1656 CG LEU A 113 -0.657 -7.189 -1.673 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -0.866 -5.906 -2.488 1.00 0.00 C ATOM 1658 CD2 LEU A 113 -0.534 -6.818 -0.189 1.00 0.00 C ATOM 0 H LEU A 113 -2.803 -10.916 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.651 -9.642 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.850 -8.325 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.733 -7.745 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 113 0.269 -7.691 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.062 -5.203 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.862 -6.146 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.823 -5.457 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.286 -6.112 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.464 -6.362 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.336 -7.717 0.395 1.00 0.00 H new ATOM 1670 N GLU A 114 -2.474 -9.138 0.965 1.00 0.00 N ATOM 1671 CA GLU A 114 -3.390 -9.206 2.112 1.00 0.00 C ATOM 1672 C GLU A 114 -3.287 -7.984 3.042 1.00 0.00 C ATOM 1673 O GLU A 114 -2.290 -7.257 3.033 1.00 0.00 O ATOM 1674 CB GLU A 114 -3.146 -10.512 2.893 1.00 0.00 C ATOM 1675 CG GLU A 114 -1.729 -10.658 3.470 1.00 0.00 C ATOM 1676 CD GLU A 114 -1.587 -11.990 4.220 1.00 0.00 C ATOM 1677 OE1 GLU A 114 -1.876 -12.039 5.440 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -1.183 -13.002 3.599 1.00 0.00 O ATOM 0 H GLU A 114 -1.664 -8.540 1.128 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.406 -9.197 1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -3.865 -10.571 3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.344 -11.357 2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.996 -10.607 2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -1.518 -9.829 4.146 1.00 0.00 H new ATOM 1685 N TYR A 115 -4.333 -7.792 3.857 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.395 -6.865 4.998 1.00 0.00 C ATOM 1687 C TYR A 115 -4.771 -7.615 6.293 1.00 0.00 C ATOM 1688 O TYR A 115 -5.810 -8.318 6.314 1.00 0.00 O ATOM 1689 CB TYR A 115 -5.393 -5.735 4.694 1.00 0.00 C ATOM 1690 CG TYR A 115 -5.614 -4.770 5.846 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -4.566 -3.931 6.275 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -6.863 -4.722 6.500 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -4.763 -3.050 7.357 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -7.067 -3.839 7.579 1.00 0.00 C ATOM 1695 CZ TYR A 115 -6.015 -2.999 8.011 1.00 0.00 C ATOM 1696 OH TYR A 115 -6.199 -2.141 9.052 1.00 0.00 O ATOM 1697 OXT TYR A 115 -3.999 -7.538 7.278 1.00 0.00 O ATOM 0 H TYR A 115 -5.205 -8.306 3.733 1.00 0.00 H new ATOM 0 HA TYR A 115 -3.411 -6.424 5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.037 -5.175 3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.350 -6.176 4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.610 -3.963 5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.666 -5.365 6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.956 -2.413 7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.026 -3.804 8.075 1.00 0.00 H new ATOM 0 HH TYR A 115 -7.115 -2.228 9.390 1.00 0.00 H new