USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=25 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 28 LYS NZ :NH3+ 149:sc= 0.191 (180deg=0) USER MOD Set 1.2: A 47 TYR OH : rot 30:sc= 0.19 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 26:sc= 0.195 USER MOD Single : A 35 MET CE :methyl 179:sc= -0.109 (180deg=-0.12) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= 1.73 (180deg=1.62) 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 51 SER OG : rot 72:sc= 0.527 USER MOD Single : A 55 SER OG : rot 66:sc= 0.0428 USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 1.22 (180deg=1.03) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 65:sc= 0.349 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -20:sc= 0.0326 USER MOD Single : A 72 SER OG : rot 180:sc=0.000173 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 80 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.353) USER MOD Single : A 81 SER OG : rot 120:sc= 0.225 USER MOD Single : A 91 SER OG : rot 65:sc= 0.285 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.47) USER MOD Single : A 98 LYS NZ :NH3+ 179:sc= -0.289 (180deg=-0.291) USER MOD Single : A 99 GLN : amide:sc= 0.589 K(o=0.59,f=0) USER MOD Single : A 101 GLN : amide:sc= 0.589 K(o=0.59,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 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 -2.951 13.827 0.290 1.00 0.00 N ATOM 106 CA GLY A 19 -4.175 13.159 0.749 1.00 0.00 C ATOM 107 C GLY A 19 -3.882 11.840 1.463 1.00 0.00 C ATOM 108 O GLY A 19 -2.820 11.242 1.290 1.00 0.00 O ATOM 0 HA2 GLY A 19 -4.717 13.822 1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.826 12.971 -0.105 1.00 0.00 H new ATOM 112 N ASP A 20 -4.842 11.341 2.235 1.00 0.00 N ATOM 113 CA ASP A 20 -4.687 10.146 3.074 1.00 0.00 C ATOM 114 C ASP A 20 -6.042 9.441 3.289 1.00 0.00 C ATOM 115 O ASP A 20 -7.069 10.112 3.428 1.00 0.00 O ATOM 116 CB ASP A 20 -4.076 10.584 4.421 1.00 0.00 C ATOM 117 CG ASP A 20 -3.840 9.434 5.414 1.00 0.00 C ATOM 118 OD1 ASP A 20 -4.798 9.034 6.117 1.00 0.00 O ATOM 119 OD2 ASP A 20 -2.677 8.980 5.532 1.00 0.00 O ATOM 0 H ASP A 20 -5.770 11.760 2.300 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.030 9.430 2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.126 11.084 4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.735 11.318 4.884 1.00 0.00 H new ATOM 124 N ALA A 21 -6.049 8.101 3.340 1.00 0.00 N ATOM 125 CA ALA A 21 -7.247 7.299 3.604 1.00 0.00 C ATOM 126 C ALA A 21 -6.907 5.905 4.171 1.00 0.00 C ATOM 127 O ALA A 21 -6.331 5.057 3.490 1.00 0.00 O ATOM 128 CB ALA A 21 -8.081 7.198 2.316 1.00 0.00 C ATOM 0 H ALA A 21 -5.210 7.539 3.197 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.834 7.799 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.974 6.602 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.373 8.197 1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.488 6.723 1.535 1.00 0.00 H new ATOM 134 N ASN A 22 -7.326 5.656 5.417 1.00 0.00 N ATOM 135 CA ASN A 22 -7.267 4.359 6.103 1.00 0.00 C ATOM 136 C ASN A 22 -5.844 3.746 6.122 1.00 0.00 C ATOM 137 O ASN A 22 -5.019 4.129 6.954 1.00 0.00 O ATOM 138 CB ASN A 22 -8.357 3.415 5.548 1.00 0.00 C ATOM 139 CG ASN A 22 -9.763 3.973 5.754 1.00 0.00 C ATOM 140 OD1 ASN A 22 -10.277 4.017 6.867 1.00 0.00 O ATOM 141 ND2 ASN A 22 -10.422 4.425 4.699 1.00 0.00 N ATOM 0 H ASN A 22 -7.734 6.386 6.001 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.491 4.519 7.158 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.186 3.251 4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.278 2.444 6.037 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.360 4.811 4.810 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.992 4.387 3.775 1.00 0.00 H new ATOM 148 N ILE A 23 -5.557 2.779 5.238 1.00 0.00 N ATOM 149 CA ILE A 23 -4.289 2.021 5.177 1.00 0.00 C ATOM 150 C ILE A 23 -3.291 2.611 4.155 1.00 0.00 C ATOM 151 O ILE A 23 -2.138 2.180 4.117 1.00 0.00 O ATOM 152 CB ILE A 23 -4.632 0.523 4.941 1.00 0.00 C ATOM 153 CG1 ILE A 23 -5.546 -0.056 6.052 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.413 -0.407 4.784 1.00 0.00 C ATOM 155 CD1 ILE A 23 -5.011 0.047 7.488 1.00 0.00 C ATOM 0 H ILE A 23 -6.221 2.490 4.520 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.758 2.106 6.125 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.158 0.540 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.508 0.455 6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.733 -1.107 5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.754 -1.430 4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.817 -0.085 3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.804 -0.365 5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.734 -0.389 8.178 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.066 -0.491 7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.853 1.095 7.743 1.00 0.00 H new ATOM 167 N PHE A 24 -3.683 3.610 3.352 1.00 0.00 N ATOM 168 CA PHE A 24 -2.815 4.254 2.366 1.00 0.00 C ATOM 169 C PHE A 24 -2.787 5.791 2.457 1.00 0.00 C ATOM 170 O PHE A 24 -3.643 6.428 3.076 1.00 0.00 O ATOM 171 CB PHE A 24 -3.211 3.764 0.967 1.00 0.00 C ATOM 172 CG PHE A 24 -4.572 4.206 0.467 1.00 0.00 C ATOM 173 CD1 PHE A 24 -5.709 3.420 0.736 1.00 0.00 C ATOM 174 CD2 PHE A 24 -4.701 5.388 -0.288 1.00 0.00 C ATOM 175 CE1 PHE A 24 -6.967 3.812 0.250 1.00 0.00 C ATOM 176 CE2 PHE A 24 -5.961 5.780 -0.771 1.00 0.00 C ATOM 177 CZ PHE A 24 -7.093 4.988 -0.509 1.00 0.00 C ATOM 0 H PHE A 24 -4.627 3.996 3.372 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.789 3.960 2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.457 4.105 0.258 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.181 2.674 0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.614 2.515 1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.831 5.993 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.838 3.209 0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.060 6.690 -1.344 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.059 5.283 -0.891 1.00 0.00 H new ATOM 187 N ARG A 25 -1.781 6.388 1.806 1.00 0.00 N ATOM 188 CA ARG A 25 -1.525 7.834 1.758 1.00 0.00 C ATOM 189 C ARG A 25 -1.022 8.221 0.370 1.00 0.00 C ATOM 190 O ARG A 25 -0.177 7.516 -0.163 1.00 0.00 O ATOM 191 CB ARG A 25 -0.500 8.192 2.848 1.00 0.00 C ATOM 192 CG ARG A 25 -0.242 9.704 2.967 1.00 0.00 C ATOM 193 CD ARG A 25 0.687 10.036 4.142 1.00 0.00 C ATOM 194 NE ARG A 25 0.052 9.695 5.425 1.00 0.00 N ATOM 195 CZ ARG A 25 0.616 9.653 6.623 1.00 0.00 C ATOM 196 NH1 ARG A 25 1.881 9.967 6.821 1.00 0.00 N ATOM 197 NH2 ARG A 25 -0.114 9.281 7.650 1.00 0.00 N ATOM 0 H ARG A 25 -1.093 5.854 1.275 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.443 8.390 1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.853 7.814 3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.441 7.686 2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.200 10.071 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.191 10.225 3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.623 9.487 4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.936 11.097 4.125 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.941 9.463 5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.464 10.256 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.277 9.921 7.760 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.094 9.032 7.516 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.299 9.241 8.582 1.00 0.00 H new ATOM 211 N VAL A 26 -1.535 9.301 -0.218 1.00 0.00 N ATOM 212 CA VAL A 26 -1.207 9.718 -1.601 1.00 0.00 C ATOM 213 C VAL A 26 -0.538 11.096 -1.668 1.00 0.00 C ATOM 214 O VAL A 26 -1.045 12.069 -1.114 1.00 0.00 O ATOM 215 CB VAL A 26 -2.445 9.646 -2.524 1.00 0.00 C ATOM 216 CG1 VAL A 26 -3.628 10.528 -2.087 1.00 0.00 C ATOM 217 CG2 VAL A 26 -2.086 9.973 -3.985 1.00 0.00 C ATOM 0 H VAL A 26 -2.196 9.923 0.247 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.472 9.002 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.775 8.611 -2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.449 10.412 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.959 10.226 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.314 11.572 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.982 9.912 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.674 10.981 -4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.347 9.258 -4.347 1.00 0.00 H new ATOM 227 N ASP A 27 0.567 11.184 -2.415 1.00 0.00 N ATOM 228 CA ASP A 27 1.202 12.441 -2.825 1.00 0.00 C ATOM 229 C ASP A 27 0.952 12.652 -4.327 1.00 0.00 C ATOM 230 O ASP A 27 1.525 11.953 -5.165 1.00 0.00 O ATOM 231 CB ASP A 27 2.708 12.401 -2.524 1.00 0.00 C ATOM 232 CG ASP A 27 3.036 12.723 -1.056 1.00 0.00 C ATOM 233 OD1 ASP A 27 2.941 11.824 -0.187 1.00 0.00 O ATOM 234 OD2 ASP A 27 3.429 13.885 -0.784 1.00 0.00 O ATOM 0 H ASP A 27 1.058 10.360 -2.761 1.00 0.00 H new ATOM 0 HA ASP A 27 0.773 13.272 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.096 11.412 -2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.221 13.113 -3.170 1.00 0.00 H new ATOM 239 N LYS A 28 0.093 13.619 -4.672 1.00 0.00 N ATOM 240 CA LYS A 28 -0.299 13.918 -6.062 1.00 0.00 C ATOM 241 C LYS A 28 0.780 14.671 -6.866 1.00 0.00 C ATOM 242 O LYS A 28 0.830 14.533 -8.092 1.00 0.00 O ATOM 243 CB LYS A 28 -1.600 14.748 -6.040 1.00 0.00 C ATOM 244 CG LYS A 28 -2.879 13.973 -5.677 1.00 0.00 C ATOM 245 CD LYS A 28 -3.248 12.895 -6.715 1.00 0.00 C ATOM 246 CE LYS A 28 -4.766 12.655 -6.816 1.00 0.00 C ATOM 247 NZ LYS A 28 -5.369 12.095 -5.573 1.00 0.00 N ATOM 0 H LYS A 28 -0.357 14.226 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.441 12.963 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.477 15.564 -5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.738 15.200 -7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.747 13.501 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.707 14.675 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.867 13.193 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.754 11.960 -6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.259 13.597 -7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.963 11.973 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.350 12.428 -5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.359 11.056 -5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.819 12.409 -4.748 1.00 0.00 H new ATOM 261 N ASP A 29 1.625 15.465 -6.203 1.00 0.00 N ATOM 262 CA ASP A 29 2.619 16.341 -6.842 1.00 0.00 C ATOM 263 C ASP A 29 3.845 15.542 -7.309 1.00 0.00 C ATOM 264 O ASP A 29 4.172 15.533 -8.495 1.00 0.00 O ATOM 265 CB ASP A 29 3.028 17.456 -5.868 1.00 0.00 C ATOM 266 CG ASP A 29 1.878 18.438 -5.599 1.00 0.00 C ATOM 267 OD1 ASP A 29 1.643 19.332 -6.447 1.00 0.00 O ATOM 268 OD2 ASP A 29 1.219 18.319 -4.538 1.00 0.00 O ATOM 0 H ASP A 29 1.640 15.520 -5.185 1.00 0.00 H new ATOM 0 HA ASP A 29 2.169 16.792 -7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.354 17.013 -4.927 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.880 17.999 -6.277 1.00 0.00 H new ATOM 273 N SER A 30 4.487 14.816 -6.389 1.00 0.00 N ATOM 274 CA SER A 30 5.560 13.859 -6.710 1.00 0.00 C ATOM 275 C SER A 30 5.023 12.599 -7.421 1.00 0.00 C ATOM 276 O SER A 30 5.759 11.941 -8.161 1.00 0.00 O ATOM 277 CB SER A 30 6.294 13.452 -5.423 1.00 0.00 C ATOM 278 OG SER A 30 6.813 14.589 -4.736 1.00 0.00 O ATOM 0 H SER A 30 4.278 14.873 -5.392 1.00 0.00 H new ATOM 0 HA SER A 30 6.248 14.355 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.611 12.911 -4.769 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.108 12.770 -5.667 1.00 0.00 H new ATOM 0 HG SER A 30 7.273 14.297 -3.921 1.00 0.00 H new ATOM 284 N ARG A 31 3.731 12.294 -7.213 1.00 0.00 N ATOM 285 CA ARG A 31 2.921 11.272 -7.890 1.00 0.00 C ATOM 286 C ARG A 31 3.317 9.859 -7.431 1.00 0.00 C ATOM 287 O ARG A 31 4.071 9.148 -8.098 1.00 0.00 O ATOM 288 CB ARG A 31 2.914 11.499 -9.416 1.00 0.00 C ATOM 289 CG ARG A 31 1.632 10.946 -10.074 1.00 0.00 C ATOM 290 CD ARG A 31 1.142 11.838 -11.225 1.00 0.00 C ATOM 291 NE ARG A 31 0.713 13.161 -10.727 1.00 0.00 N ATOM 292 CZ ARG A 31 0.204 14.162 -11.433 1.00 0.00 C ATOM 293 NH1 ARG A 31 -0.035 14.067 -12.725 1.00 0.00 N ATOM 294 NH2 ARG A 31 -0.069 15.291 -10.819 1.00 0.00 N ATOM 0 H ARG A 31 3.185 12.796 -6.512 1.00 0.00 H new ATOM 0 HA ARG A 31 1.877 11.371 -7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.998 12.565 -9.625 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.786 11.018 -9.859 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.823 9.941 -10.451 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.847 10.861 -9.322 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.940 11.963 -11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.312 11.352 -11.738 1.00 0.00 H new ATOM 0 HE ARG A 31 0.820 13.323 -9.726 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.172 13.199 -13.220 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.427 14.861 -13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.111 15.384 -9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.461 16.074 -11.342 1.00 0.00 H new ATOM 308 N GLU A 32 2.817 9.478 -6.252 1.00 0.00 N ATOM 309 CA GLU A 32 3.207 8.278 -5.497 1.00 0.00 C ATOM 310 C GLU A 32 2.162 7.932 -4.419 1.00 0.00 C ATOM 311 O GLU A 32 1.372 8.795 -4.031 1.00 0.00 O ATOM 312 CB GLU A 32 4.628 8.449 -4.913 1.00 0.00 C ATOM 313 CG GLU A 32 4.832 9.678 -4.017 1.00 0.00 C ATOM 314 CD GLU A 32 6.323 9.962 -3.750 1.00 0.00 C ATOM 315 OE1 GLU A 32 7.080 10.217 -4.718 1.00 0.00 O ATOM 316 OE2 GLU A 32 6.737 10.011 -2.566 1.00 0.00 O ATOM 0 H GLU A 32 2.097 10.020 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 32 3.236 7.429 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.875 7.557 -4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.337 8.502 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.377 10.549 -4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.318 9.524 -3.068 1.00 0.00 H new ATOM 323 N VAL A 33 2.141 6.676 -3.950 1.00 0.00 N ATOM 324 CA VAL A 33 1.128 6.157 -3.002 1.00 0.00 C ATOM 325 C VAL A 33 1.760 5.187 -2.002 1.00 0.00 C ATOM 326 O VAL A 33 2.400 4.213 -2.374 1.00 0.00 O ATOM 327 CB VAL A 33 -0.103 5.534 -3.721 1.00 0.00 C ATOM 328 CG1 VAL A 33 0.221 4.297 -4.582 1.00 0.00 C ATOM 329 CG2 VAL A 33 -1.220 5.185 -2.721 1.00 0.00 C ATOM 0 H VAL A 33 2.834 5.978 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 33 0.746 7.011 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.444 6.311 -4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.693 3.927 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.937 4.571 -5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.649 3.517 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.065 4.752 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.845 4.466 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.542 6.090 -2.205 1.00 0.00 H new ATOM 339 N TYR A 34 1.623 5.453 -0.707 1.00 0.00 N ATOM 340 CA TYR A 34 2.224 4.656 0.360 1.00 0.00 C ATOM 341 C TYR A 34 1.173 3.722 0.962 1.00 0.00 C ATOM 342 O TYR A 34 0.042 4.138 1.192 1.00 0.00 O ATOM 343 CB TYR A 34 2.825 5.573 1.443 1.00 0.00 C ATOM 344 CG TYR A 34 4.030 6.448 1.101 1.00 0.00 C ATOM 345 CD1 TYR A 34 4.491 6.655 -0.219 1.00 0.00 C ATOM 346 CD2 TYR A 34 4.699 7.090 2.163 1.00 0.00 C ATOM 347 CE1 TYR A 34 5.577 7.511 -0.474 1.00 0.00 C ATOM 348 CE2 TYR A 34 5.796 7.940 1.918 1.00 0.00 C ATOM 349 CZ TYR A 34 6.232 8.163 0.593 1.00 0.00 C ATOM 350 OH TYR A 34 7.276 9.003 0.349 1.00 0.00 O ATOM 0 H TYR A 34 1.080 6.244 -0.362 1.00 0.00 H new ATOM 0 HA TYR A 34 3.031 4.053 -0.057 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.030 6.233 1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.108 4.942 2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.004 6.150 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.366 6.928 3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.911 7.670 -1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.303 8.420 2.742 1.00 0.00 H new ATOM 0 HH TYR A 34 7.196 9.370 -0.556 1.00 0.00 H new ATOM 360 N MET A 35 1.560 2.478 1.243 1.00 0.00 N ATOM 361 CA MET A 35 0.835 1.518 2.068 1.00 0.00 C ATOM 362 C MET A 35 1.388 1.609 3.497 1.00 0.00 C ATOM 363 O MET A 35 2.557 1.941 3.690 1.00 0.00 O ATOM 364 CB MET A 35 1.051 0.134 1.430 1.00 0.00 C ATOM 365 CG MET A 35 0.289 -1.033 2.067 1.00 0.00 C ATOM 366 SD MET A 35 0.719 -2.663 1.397 1.00 0.00 S ATOM 367 CE MET A 35 0.132 -2.539 -0.312 1.00 0.00 C ATOM 0 H MET A 35 2.433 2.095 0.881 1.00 0.00 H new ATOM 0 HA MET A 35 -0.236 1.713 2.121 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.769 0.194 0.379 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.116 -0.095 1.462 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.480 -1.033 3.140 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.780 -0.869 1.933 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.351 -3.467 -0.840 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.944 -2.364 -0.315 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.635 -1.711 -0.810 1.00 0.00 H new ATOM 377 N HIS A 36 0.590 1.259 4.502 1.00 0.00 N ATOM 378 CA HIS A 36 0.959 1.367 5.927 1.00 0.00 C ATOM 379 C HIS A 36 2.287 0.658 6.306 1.00 0.00 C ATOM 380 O HIS A 36 2.966 1.059 7.254 1.00 0.00 O ATOM 381 CB HIS A 36 -0.220 0.816 6.744 1.00 0.00 C ATOM 382 CG HIS A 36 -0.026 0.907 8.234 1.00 0.00 C ATOM 383 ND1 HIS A 36 -0.065 2.085 8.984 1.00 0.00 N ATOM 384 CD2 HIS A 36 0.227 -0.143 9.067 1.00 0.00 C ATOM 385 CE1 HIS A 36 0.167 1.711 10.254 1.00 0.00 C ATOM 386 NE2 HIS A 36 0.346 0.380 10.335 1.00 0.00 N ATOM 0 H HIS A 36 -0.348 0.885 4.356 1.00 0.00 H new ATOM 0 HA HIS A 36 1.150 2.416 6.151 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.124 1.361 6.471 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.382 -0.227 6.472 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.317 -1.182 8.787 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.205 2.387 11.095 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.536 -0.149 11.186 1.00 0.00 H new ATOM 394 N GLU A 37 2.664 -0.377 5.545 1.00 0.00 N ATOM 395 CA GLU A 37 3.900 -1.153 5.725 1.00 0.00 C ATOM 396 C GLU A 37 5.085 -0.588 4.917 1.00 0.00 C ATOM 397 O GLU A 37 6.231 -0.796 5.320 1.00 0.00 O ATOM 398 CB GLU A 37 3.644 -2.615 5.304 1.00 0.00 C ATOM 399 CG GLU A 37 2.571 -3.295 6.171 1.00 0.00 C ATOM 400 CD GLU A 37 2.307 -4.740 5.725 1.00 0.00 C ATOM 401 OE1 GLU A 37 2.336 -5.001 4.499 1.00 0.00 O ATOM 402 OE2 GLU A 37 2.058 -5.603 6.601 1.00 0.00 O ATOM 0 H GLU A 37 2.100 -0.709 4.762 1.00 0.00 H new ATOM 0 HA GLU A 37 4.172 -1.092 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.333 -2.640 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.574 -3.179 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.889 -3.289 7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.645 -2.723 6.117 1.00 0.00 H new ATOM 409 N LYS A 38 4.844 0.085 3.775 1.00 0.00 N ATOM 410 CA LYS A 38 5.861 0.347 2.733 1.00 0.00 C ATOM 411 C LYS A 38 5.400 1.334 1.623 1.00 0.00 C ATOM 412 O LYS A 38 4.239 1.321 1.218 1.00 0.00 O ATOM 413 CB LYS A 38 6.341 -1.026 2.181 1.00 0.00 C ATOM 414 CG LYS A 38 5.389 -1.704 1.171 1.00 0.00 C ATOM 415 CD LYS A 38 5.601 -3.229 1.084 1.00 0.00 C ATOM 416 CE LYS A 38 4.968 -4.000 2.261 1.00 0.00 C ATOM 417 NZ LYS A 38 3.496 -4.231 2.096 1.00 0.00 N ATOM 0 H LYS A 38 3.927 0.468 3.546 1.00 0.00 H new ATOM 0 HA LYS A 38 6.700 0.875 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.311 -0.887 1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.493 -1.703 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.357 -1.501 1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.539 -1.264 0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.177 -3.595 0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.670 -3.439 1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.470 -4.962 2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.141 -3.446 3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.085 -4.517 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.041 -3.354 1.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.339 -4.982 1.394 1.00 0.00 H new ATOM 431 N LYS A 39 6.297 2.157 1.056 1.00 0.00 N ATOM 432 CA LYS A 39 5.982 3.108 -0.031 1.00 0.00 C ATOM 433 C LYS A 39 5.844 2.475 -1.443 1.00 0.00 C ATOM 434 O LYS A 39 6.511 1.487 -1.736 1.00 0.00 O ATOM 435 CB LYS A 39 7.027 4.237 0.022 1.00 0.00 C ATOM 436 CG LYS A 39 8.502 3.829 -0.154 1.00 0.00 C ATOM 437 CD LYS A 39 9.418 5.038 -0.423 1.00 0.00 C ATOM 438 CE LYS A 39 9.362 6.164 0.628 1.00 0.00 C ATOM 439 NZ LYS A 39 9.966 5.779 1.937 1.00 0.00 N ATOM 0 H LYS A 39 7.276 2.183 1.341 1.00 0.00 H new ATOM 0 HA LYS A 39 4.981 3.503 0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.781 4.964 -0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.928 4.747 0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.842 3.311 0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.585 3.123 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.446 4.683 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.158 5.459 -1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.881 7.040 0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.323 6.453 0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.897 6.578 2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.456 4.961 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.966 5.530 1.798 1.00 0.00 H new ATOM 453 N LEU A 40 5.012 3.022 -2.341 1.00 0.00 N ATOM 454 CA LEU A 40 4.982 2.684 -3.781 1.00 0.00 C ATOM 455 C LEU A 40 4.949 3.979 -4.606 1.00 0.00 C ATOM 456 O LEU A 40 4.351 4.976 -4.204 1.00 0.00 O ATOM 457 CB LEU A 40 3.763 1.797 -4.122 1.00 0.00 C ATOM 458 CG LEU A 40 3.800 0.383 -3.499 1.00 0.00 C ATOM 459 CD1 LEU A 40 2.469 0.052 -2.814 1.00 0.00 C ATOM 460 CD2 LEU A 40 4.171 -0.671 -4.552 1.00 0.00 C ATOM 0 H LEU A 40 4.323 3.729 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 40 5.881 2.118 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.857 2.303 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.693 1.700 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 40 4.576 0.368 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.520 -0.948 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.276 0.778 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.663 0.091 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.190 -1.657 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.432 -0.661 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.155 -0.444 -4.963 1.00 0.00 H new ATOM 472 N ASP A 41 5.593 3.980 -5.770 1.00 0.00 N ATOM 473 CA ASP A 41 5.990 5.227 -6.446 1.00 0.00 C ATOM 474 C ASP A 41 5.675 5.211 -7.960 1.00 0.00 C ATOM 475 O ASP A 41 6.367 5.839 -8.765 1.00 0.00 O ATOM 476 CB ASP A 41 7.481 5.481 -6.155 1.00 0.00 C ATOM 477 CG ASP A 41 7.820 5.498 -4.652 1.00 0.00 C ATOM 478 OD1 ASP A 41 7.667 6.564 -4.011 1.00 0.00 O ATOM 479 OD2 ASP A 41 8.275 4.450 -4.130 1.00 0.00 O ATOM 0 H ASP A 41 5.855 3.132 -6.272 1.00 0.00 H new ATOM 0 HA ASP A 41 5.399 6.053 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.075 4.709 -6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.772 6.435 -6.596 1.00 0.00 H new ATOM 484 N LEU A 42 4.647 4.444 -8.346 1.00 0.00 N ATOM 485 CA LEU A 42 4.215 4.245 -9.739 1.00 0.00 C ATOM 486 C LEU A 42 3.301 5.389 -10.239 1.00 0.00 C ATOM 487 O LEU A 42 3.132 6.415 -9.574 1.00 0.00 O ATOM 488 CB LEU A 42 3.606 2.819 -9.855 1.00 0.00 C ATOM 489 CG LEU A 42 4.057 1.916 -11.038 1.00 0.00 C ATOM 490 CD1 LEU A 42 5.580 1.938 -11.195 1.00 0.00 C ATOM 491 CD2 LEU A 42 3.679 0.464 -10.700 1.00 0.00 C ATOM 0 H LEU A 42 4.074 3.928 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 42 5.067 4.298 -10.417 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.826 2.288 -8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.523 2.924 -9.912 1.00 0.00 H new ATOM 0 HG LEU A 42 3.581 2.278 -11.949 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.869 1.299 -12.029 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.911 2.958 -11.388 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.045 1.573 -10.280 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.985 -0.191 -11.516 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.183 0.161 -9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.600 0.392 -10.562 1.00 0.00 H new ATOM 503 N THR A 43 2.743 5.229 -11.444 1.00 0.00 N ATOM 504 CA THR A 43 2.103 6.296 -12.246 1.00 0.00 C ATOM 505 C THR A 43 0.613 6.356 -11.920 1.00 0.00 C ATOM 506 O THR A 43 0.093 5.407 -11.346 1.00 0.00 O ATOM 507 CB THR A 43 2.385 6.048 -13.742 1.00 0.00 C ATOM 508 OG1 THR A 43 3.769 5.807 -13.918 1.00 0.00 O ATOM 509 CG2 THR A 43 2.007 7.209 -14.666 1.00 0.00 C ATOM 0 H THR A 43 2.720 4.323 -11.911 1.00 0.00 H new ATOM 0 HA THR A 43 2.521 7.271 -11.998 1.00 0.00 H new ATOM 0 HB THR A 43 1.762 5.197 -14.017 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.955 5.647 -14.867 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.241 6.944 -15.697 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.940 7.413 -14.577 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.571 8.098 -14.383 1.00 0.00 H new ATOM 517 N ARG A 44 -0.093 7.437 -12.279 1.00 0.00 N ATOM 518 CA ARG A 44 -1.484 7.716 -11.857 1.00 0.00 C ATOM 519 C ARG A 44 -2.409 6.492 -11.940 1.00 0.00 C ATOM 520 O ARG A 44 -3.058 6.159 -10.955 1.00 0.00 O ATOM 521 CB ARG A 44 -2.031 8.915 -12.660 1.00 0.00 C ATOM 522 CG ARG A 44 -3.303 9.573 -12.080 1.00 0.00 C ATOM 523 CD ARG A 44 -4.619 8.850 -12.417 1.00 0.00 C ATOM 524 NE ARG A 44 -5.792 9.548 -11.863 1.00 0.00 N ATOM 525 CZ ARG A 44 -6.449 10.573 -12.390 1.00 0.00 C ATOM 526 NH1 ARG A 44 -6.104 11.121 -13.538 1.00 0.00 N ATOM 527 NH2 ARG A 44 -7.489 11.063 -11.751 1.00 0.00 N ATOM 0 H ARG A 44 0.291 8.162 -12.885 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.463 7.973 -10.798 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.250 9.672 -12.729 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.244 8.584 -13.676 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.203 9.629 -10.996 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.364 10.597 -12.447 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.722 8.771 -13.499 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.584 7.833 -12.025 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.140 9.202 -10.969 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.304 10.758 -14.057 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.637 11.908 -13.908 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.780 10.655 -10.863 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.004 11.851 -12.144 1.00 0.00 H new ATOM 541 N ALA A 45 -2.455 5.796 -13.078 1.00 0.00 N ATOM 542 CA ALA A 45 -3.284 4.594 -13.252 1.00 0.00 C ATOM 543 C ALA A 45 -2.890 3.463 -12.279 1.00 0.00 C ATOM 544 O ALA A 45 -3.758 2.874 -11.635 1.00 0.00 O ATOM 545 CB ALA A 45 -3.188 4.172 -14.726 1.00 0.00 C ATOM 0 H ALA A 45 -1.919 6.048 -13.908 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.322 4.818 -13.004 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.793 3.280 -14.889 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.553 4.980 -15.360 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.149 3.956 -14.976 1.00 0.00 H new ATOM 551 N GLU A 46 -1.593 3.216 -12.091 1.00 0.00 N ATOM 552 CA GLU A 46 -1.061 2.199 -11.185 1.00 0.00 C ATOM 553 C GLU A 46 -1.311 2.544 -9.707 1.00 0.00 C ATOM 554 O GLU A 46 -1.598 1.692 -8.864 1.00 0.00 O ATOM 555 CB GLU A 46 0.431 2.051 -11.470 1.00 0.00 C ATOM 556 CG GLU A 46 0.694 1.225 -12.728 1.00 0.00 C ATOM 557 CD GLU A 46 0.244 1.939 -14.016 1.00 0.00 C ATOM 558 OE1 GLU A 46 0.983 2.833 -14.489 1.00 0.00 O ATOM 559 OE2 GLU A 46 -0.847 1.625 -14.545 1.00 0.00 O ATOM 0 H GLU A 46 -0.863 3.734 -12.580 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.578 1.256 -11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.878 3.039 -11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.918 1.578 -10.617 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.759 1.002 -12.795 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.173 0.271 -12.646 1.00 0.00 H new ATOM 566 N TYR A 47 -1.286 3.836 -9.413 1.00 0.00 N ATOM 567 CA TYR A 47 -1.833 4.385 -8.178 1.00 0.00 C ATOM 568 C TYR A 47 -3.331 4.064 -8.016 1.00 0.00 C ATOM 569 O TYR A 47 -3.684 3.503 -6.979 1.00 0.00 O ATOM 570 CB TYR A 47 -1.488 5.881 -8.073 1.00 0.00 C ATOM 571 CG TYR A 47 -2.509 6.729 -7.325 1.00 0.00 C ATOM 572 CD1 TYR A 47 -2.884 6.402 -6.007 1.00 0.00 C ATOM 573 CD2 TYR A 47 -3.139 7.809 -7.973 1.00 0.00 C ATOM 574 CE1 TYR A 47 -3.892 7.130 -5.346 1.00 0.00 C ATOM 575 CE2 TYR A 47 -4.145 8.545 -7.322 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.534 8.202 -6.008 1.00 0.00 C ATOM 577 OH TYR A 47 -5.511 8.917 -5.379 1.00 0.00 O ATOM 0 H TYR A 47 -0.882 4.540 -10.030 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.361 3.895 -7.326 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.522 5.981 -7.577 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.373 6.283 -9.080 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.394 5.585 -5.499 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.847 8.074 -8.978 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.174 6.870 -4.336 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.620 9.373 -7.827 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.343 8.922 -4.414 1.00 0.00 H new ATOM 587 N GLU A 48 -4.194 4.346 -9.003 1.00 0.00 N ATOM 588 CA GLU A 48 -5.634 4.022 -8.924 1.00 0.00 C ATOM 589 C GLU A 48 -5.867 2.535 -8.596 1.00 0.00 C ATOM 590 O GLU A 48 -6.646 2.229 -7.687 1.00 0.00 O ATOM 591 CB GLU A 48 -6.413 4.331 -10.220 1.00 0.00 C ATOM 592 CG GLU A 48 -6.480 5.794 -10.675 1.00 0.00 C ATOM 593 CD GLU A 48 -7.263 6.737 -9.743 1.00 0.00 C ATOM 594 OE1 GLU A 48 -8.165 6.286 -8.997 1.00 0.00 O ATOM 595 OE2 GLU A 48 -7.016 7.966 -9.806 1.00 0.00 O ATOM 0 H GLU A 48 -3.921 4.801 -9.874 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.008 4.663 -8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.968 3.748 -11.027 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.434 3.972 -10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.463 6.173 -10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.934 5.829 -11.665 1.00 0.00 H new ATOM 602 N ILE A 49 -5.190 1.601 -9.293 1.00 0.00 N ATOM 603 CA ILE A 49 -5.389 0.167 -9.031 1.00 0.00 C ATOM 604 C ILE A 49 -4.903 -0.224 -7.638 1.00 0.00 C ATOM 605 O ILE A 49 -5.664 -0.871 -6.923 1.00 0.00 O ATOM 606 CB ILE A 49 -4.777 -0.776 -10.097 1.00 0.00 C ATOM 607 CG1 ILE A 49 -3.530 -0.254 -10.816 1.00 0.00 C ATOM 608 CG2 ILE A 49 -5.861 -1.284 -11.046 1.00 0.00 C ATOM 609 CD1 ILE A 49 -2.635 -1.309 -11.472 1.00 0.00 C ATOM 0 H ILE A 49 -4.514 1.810 -10.027 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.468 0.027 -9.090 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.378 -1.625 -9.543 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.848 0.451 -11.584 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.930 0.306 -10.098 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.414 -1.945 -11.788 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.614 -1.832 -10.479 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.330 -0.438 -11.549 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.786 -0.820 -11.949 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.275 -2.003 -10.713 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.207 -1.856 -12.222 1.00 0.00 H new ATOM 621 N LEU A 50 -3.675 0.130 -7.239 1.00 0.00 N ATOM 622 CA LEU A 50 -3.129 -0.354 -5.963 1.00 0.00 C ATOM 623 C LEU A 50 -3.811 0.333 -4.757 1.00 0.00 C ATOM 624 O LEU A 50 -4.123 -0.321 -3.765 1.00 0.00 O ATOM 625 CB LEU A 50 -1.595 -0.219 -6.007 1.00 0.00 C ATOM 626 CG LEU A 50 -0.836 -1.361 -5.299 1.00 0.00 C ATOM 627 CD1 LEU A 50 0.626 -1.339 -5.765 1.00 0.00 C ATOM 628 CD2 LEU A 50 -0.918 -1.273 -3.769 1.00 0.00 C ATOM 0 H LEU A 50 -3.050 0.738 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.354 -1.411 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.275 -0.177 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.312 0.728 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.309 -2.304 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.177 -2.141 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.666 -1.481 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.075 -0.380 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.366 -2.102 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.485 -0.330 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.961 -1.324 -3.457 1.00 0.00 H new ATOM 640 N SER A 51 -4.155 1.618 -4.875 1.00 0.00 N ATOM 641 CA SER A 51 -5.099 2.302 -3.978 1.00 0.00 C ATOM 642 C SER A 51 -6.403 1.515 -3.794 1.00 0.00 C ATOM 643 O SER A 51 -6.714 1.131 -2.661 1.00 0.00 O ATOM 644 CB SER A 51 -5.391 3.709 -4.520 1.00 0.00 C ATOM 645 OG SER A 51 -6.323 4.409 -3.710 1.00 0.00 O ATOM 0 H SER A 51 -3.782 2.224 -5.606 1.00 0.00 H new ATOM 0 HA SER A 51 -4.634 2.374 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.462 4.276 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.779 3.633 -5.536 1.00 0.00 H new ATOM 0 HG SER A 51 -5.896 4.663 -2.865 1.00 0.00 H new ATOM 651 N LEU A 52 -7.146 1.197 -4.870 1.00 0.00 N ATOM 652 CA LEU A 52 -8.404 0.471 -4.695 1.00 0.00 C ATOM 653 C LEU A 52 -8.214 -0.979 -4.257 1.00 0.00 C ATOM 654 O LEU A 52 -9.128 -1.557 -3.675 1.00 0.00 O ATOM 655 CB LEU A 52 -9.259 0.510 -5.964 1.00 0.00 C ATOM 656 CG LEU A 52 -10.727 0.817 -5.580 1.00 0.00 C ATOM 657 CD1 LEU A 52 -10.917 2.307 -5.243 1.00 0.00 C ATOM 658 CD2 LEU A 52 -11.703 0.443 -6.693 1.00 0.00 C ATOM 0 H LEU A 52 -6.904 1.424 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.922 0.992 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.883 1.271 -6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.199 -0.445 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.942 0.209 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.958 2.490 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.276 2.575 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.652 2.913 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.720 0.676 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.463 1.009 -7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.624 -0.624 -6.903 1.00 0.00 H new ATOM 670 N LEU A 53 -7.054 -1.572 -4.531 1.00 0.00 N ATOM 671 CA LEU A 53 -6.698 -2.897 -4.038 1.00 0.00 C ATOM 672 C LEU A 53 -6.600 -2.893 -2.508 1.00 0.00 C ATOM 673 O LEU A 53 -7.161 -3.764 -1.847 1.00 0.00 O ATOM 674 CB LEU A 53 -5.373 -3.311 -4.686 1.00 0.00 C ATOM 675 CG LEU A 53 -5.087 -4.806 -4.537 1.00 0.00 C ATOM 676 CD1 LEU A 53 -6.011 -5.650 -5.430 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.604 -5.029 -4.827 1.00 0.00 C ATOM 0 H LEU A 53 -6.330 -1.141 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.469 -3.619 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.394 -3.053 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.559 -2.743 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.301 -5.137 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.779 -6.707 -5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.050 -5.469 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.861 -5.373 -6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.369 -6.089 -4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.378 -4.700 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.005 -4.457 -4.118 1.00 0.00 H new ATOM 689 N ILE A 54 -5.940 -1.886 -1.933 1.00 0.00 N ATOM 690 CA ILE A 54 -5.942 -1.668 -0.477 1.00 0.00 C ATOM 691 C ILE A 54 -7.356 -1.329 0.029 1.00 0.00 C ATOM 692 O ILE A 54 -7.771 -1.885 1.045 1.00 0.00 O ATOM 693 CB ILE A 54 -4.901 -0.582 -0.105 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.464 -1.006 -0.495 1.00 0.00 C ATOM 695 CG2 ILE A 54 -4.948 -0.275 1.403 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.465 0.161 -0.498 1.00 0.00 C ATOM 0 H ILE A 54 -5.392 -1.201 -2.454 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.649 -2.590 0.025 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.162 0.314 -0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.117 -1.770 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.483 -1.461 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.209 0.490 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.942 0.084 1.670 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.726 -1.182 1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.478 -0.206 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.790 0.916 -1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.418 0.602 0.498 1.00 0.00 H new ATOM 708 N SER A 55 -8.124 -0.489 -0.672 1.00 0.00 N ATOM 709 CA SER A 55 -9.520 -0.197 -0.284 1.00 0.00 C ATOM 710 C SER A 55 -10.432 -1.443 -0.235 1.00 0.00 C ATOM 711 O SER A 55 -11.200 -1.601 0.718 1.00 0.00 O ATOM 712 CB SER A 55 -10.178 0.817 -1.231 1.00 0.00 C ATOM 713 OG SER A 55 -9.486 2.056 -1.247 1.00 0.00 O ATOM 0 H SER A 55 -7.810 0.002 -1.509 1.00 0.00 H new ATOM 0 HA SER A 55 -9.432 0.211 0.723 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.207 0.405 -2.240 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.211 0.982 -0.924 1.00 0.00 H new ATOM 0 HG SER A 55 -8.598 1.930 -1.641 1.00 0.00 H new ATOM 719 N LYS A 56 -10.377 -2.328 -1.244 1.00 0.00 N ATOM 720 CA LYS A 56 -11.234 -3.523 -1.318 1.00 0.00 C ATOM 721 C LYS A 56 -10.743 -4.669 -0.407 1.00 0.00 C ATOM 722 O LYS A 56 -11.585 -5.387 0.138 1.00 0.00 O ATOM 723 CB LYS A 56 -11.423 -3.962 -2.793 1.00 0.00 C ATOM 724 CG LYS A 56 -10.257 -4.789 -3.369 1.00 0.00 C ATOM 725 CD LYS A 56 -10.416 -5.278 -4.816 1.00 0.00 C ATOM 726 CE LYS A 56 -10.459 -4.165 -5.878 1.00 0.00 C ATOM 727 NZ LYS A 56 -11.842 -3.911 -6.371 1.00 0.00 N ATOM 0 H LYS A 56 -9.736 -2.235 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.215 -3.254 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.339 -4.547 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.560 -3.073 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.350 -4.188 -3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.106 -5.658 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.590 -5.950 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.333 -5.863 -4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.051 -3.247 -5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.821 -4.441 -6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.803 -3.309 -7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.297 -4.815 -6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.392 -3.432 -5.630 1.00 0.00 H new ATOM 741 N LYS A 57 -9.409 -4.814 -0.283 1.00 0.00 N ATOM 742 CA LYS A 57 -8.569 -5.848 0.373 1.00 0.00 C ATOM 743 C LYS A 57 -7.623 -6.519 -0.648 1.00 0.00 C ATOM 744 O LYS A 57 -7.972 -6.688 -1.816 1.00 0.00 O ATOM 745 CB LYS A 57 -9.386 -6.876 1.178 1.00 0.00 C ATOM 746 CG LYS A 57 -8.600 -8.006 1.869 1.00 0.00 C ATOM 747 CD LYS A 57 -9.425 -8.716 2.958 1.00 0.00 C ATOM 748 CE LYS A 57 -10.751 -9.335 2.479 1.00 0.00 C ATOM 749 NZ LYS A 57 -10.555 -10.540 1.623 1.00 0.00 N ATOM 0 H LYS A 57 -8.805 -4.106 -0.701 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.954 -5.333 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.949 -6.339 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.114 -7.331 0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.286 -8.735 1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.694 -7.595 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.814 -9.503 3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.642 -8.000 3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.353 -9.606 3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.314 -8.587 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.481 -10.913 1.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.004 -10.281 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.043 -11.268 2.161 1.00 0.00 H new ATOM 763 N GLY A 58 -6.431 -6.923 -0.183 1.00 0.00 N ATOM 764 CA GLY A 58 -5.281 -7.300 -1.013 1.00 0.00 C ATOM 765 C GLY A 58 -5.561 -8.290 -2.150 1.00 0.00 C ATOM 766 O GLY A 58 -5.202 -7.993 -3.287 1.00 0.00 O ATOM 0 H GLY A 58 -6.237 -6.998 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.859 -6.393 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.517 -7.730 -0.365 1.00 0.00 H new ATOM 770 N TYR A 59 -6.214 -9.429 -1.867 1.00 0.00 N ATOM 771 CA TYR A 59 -6.764 -10.358 -2.863 1.00 0.00 C ATOM 772 C TYR A 59 -5.645 -10.943 -3.754 1.00 0.00 C ATOM 773 O TYR A 59 -4.474 -10.938 -3.371 1.00 0.00 O ATOM 774 CB TYR A 59 -7.923 -9.627 -3.586 1.00 0.00 C ATOM 775 CG TYR A 59 -8.766 -10.439 -4.552 1.00 0.00 C ATOM 776 CD1 TYR A 59 -9.462 -11.578 -4.103 1.00 0.00 C ATOM 777 CD2 TYR A 59 -8.819 -10.078 -5.914 1.00 0.00 C ATOM 778 CE1 TYR A 59 -10.203 -12.359 -5.010 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.557 -10.856 -6.826 1.00 0.00 C ATOM 780 CZ TYR A 59 -10.253 -12.002 -6.376 1.00 0.00 C ATOM 781 OH TYR A 59 -10.970 -12.764 -7.251 1.00 0.00 O ATOM 0 H TYR A 59 -6.378 -9.737 -0.908 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.196 -11.252 -2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.586 -9.213 -2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.500 -8.785 -4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.427 -11.853 -3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.291 -9.201 -6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.734 -13.232 -4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.592 -10.578 -7.869 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.902 -12.381 -8.150 1.00 0.00 H new ATOM 791 N VAL A 60 -5.988 -11.474 -4.926 1.00 0.00 N ATOM 792 CA VAL A 60 -5.030 -11.754 -6.007 1.00 0.00 C ATOM 793 C VAL A 60 -5.277 -10.760 -7.146 1.00 0.00 C ATOM 794 O VAL A 60 -6.281 -10.817 -7.853 1.00 0.00 O ATOM 795 CB VAL A 60 -5.082 -13.222 -6.465 1.00 0.00 C ATOM 796 CG1 VAL A 60 -4.034 -13.492 -7.556 1.00 0.00 C ATOM 797 CG2 VAL A 60 -4.816 -14.183 -5.293 1.00 0.00 C ATOM 0 H VAL A 60 -6.948 -11.727 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.013 -11.616 -5.639 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.084 -13.395 -6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.090 -14.536 -7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.229 -12.850 -8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.039 -13.282 -7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.860 -15.212 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.828 -13.985 -4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.571 -14.034 -4.522 1.00 0.00 H new ATOM 807 N PHE A 61 -4.342 -9.822 -7.272 1.00 0.00 N ATOM 808 CA PHE A 61 -4.333 -8.666 -8.165 1.00 0.00 C ATOM 809 C PHE A 61 -4.044 -9.133 -9.603 1.00 0.00 C ATOM 810 O PHE A 61 -2.936 -9.569 -9.901 1.00 0.00 O ATOM 811 CB PHE A 61 -3.241 -7.750 -7.581 1.00 0.00 C ATOM 812 CG PHE A 61 -3.137 -6.291 -7.965 1.00 0.00 C ATOM 813 CD1 PHE A 61 -4.249 -5.526 -8.363 1.00 0.00 C ATOM 814 CD2 PHE A 61 -1.913 -5.645 -7.708 1.00 0.00 C ATOM 815 CE1 PHE A 61 -4.129 -4.132 -8.495 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.771 -4.263 -7.905 1.00 0.00 C ATOM 817 CZ PHE A 61 -2.886 -3.501 -8.284 1.00 0.00 C ATOM 0 H PHE A 61 -3.497 -9.854 -6.702 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.282 -8.133 -8.225 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.347 -7.784 -6.497 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.282 -8.209 -7.822 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.193 -6.009 -8.567 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.071 -6.221 -7.354 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.993 -3.541 -8.759 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.810 -3.790 -7.766 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.793 -2.433 -8.414 1.00 0.00 H new ATOM 827 N SER A 62 -5.060 -9.121 -10.467 1.00 0.00 N ATOM 828 CA SER A 62 -5.083 -9.848 -11.758 1.00 0.00 C ATOM 829 C SER A 62 -5.291 -8.923 -12.961 1.00 0.00 C ATOM 830 O SER A 62 -6.038 -7.955 -12.840 1.00 0.00 O ATOM 831 CB SER A 62 -6.298 -10.785 -11.765 1.00 0.00 C ATOM 832 OG SER A 62 -6.228 -11.774 -10.744 1.00 0.00 O ATOM 0 H SER A 62 -5.916 -8.595 -10.293 1.00 0.00 H new ATOM 0 HA SER A 62 -4.123 -10.357 -11.844 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.207 -10.197 -11.636 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.370 -11.274 -12.736 1.00 0.00 H new ATOM 0 HG SER A 62 -6.268 -11.341 -9.866 1.00 0.00 H new ATOM 838 N ARG A 63 -4.765 -9.252 -14.153 1.00 0.00 N ATOM 839 CA ARG A 63 -4.886 -8.386 -15.351 1.00 0.00 C ATOM 840 C ARG A 63 -6.330 -7.970 -15.707 1.00 0.00 C ATOM 841 O ARG A 63 -6.545 -6.826 -16.090 1.00 0.00 O ATOM 842 CB ARG A 63 -4.205 -9.018 -16.586 1.00 0.00 C ATOM 843 CG ARG A 63 -3.080 -8.161 -17.200 1.00 0.00 C ATOM 844 CD ARG A 63 -3.332 -6.652 -17.411 1.00 0.00 C ATOM 845 NE ARG A 63 -4.355 -6.347 -18.429 1.00 0.00 N ATOM 846 CZ ARG A 63 -4.793 -5.134 -18.755 1.00 0.00 C ATOM 847 NH1 ARG A 63 -4.438 -4.049 -18.102 1.00 0.00 N ATOM 848 NH2 ARG A 63 -5.601 -4.973 -19.776 1.00 0.00 N ATOM 0 H ARG A 63 -4.248 -10.115 -14.319 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.364 -7.471 -15.070 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.794 -9.987 -16.303 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.962 -9.203 -17.348 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.201 -8.264 -16.564 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.826 -8.593 -18.168 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.636 -6.210 -16.462 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.395 -6.175 -17.699 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.763 -7.137 -18.928 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.801 -4.117 -17.309 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.800 -3.140 -18.389 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.897 -5.780 -20.325 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.934 -4.040 -20.021 1.00 0.00 H new ATOM 862 N GLU A 64 -7.316 -8.856 -15.538 1.00 0.00 N ATOM 863 CA GLU A 64 -8.737 -8.529 -15.745 1.00 0.00 C ATOM 864 C GLU A 64 -9.239 -7.502 -14.717 1.00 0.00 C ATOM 865 O GLU A 64 -9.763 -6.452 -15.076 1.00 0.00 O ATOM 866 CB GLU A 64 -9.573 -9.816 -15.678 1.00 0.00 C ATOM 867 CG GLU A 64 -10.988 -9.619 -16.236 1.00 0.00 C ATOM 868 CD GLU A 64 -11.780 -10.934 -16.191 1.00 0.00 C ATOM 869 OE1 GLU A 64 -12.455 -11.205 -15.169 1.00 0.00 O ATOM 870 OE2 GLU A 64 -11.735 -11.709 -17.176 1.00 0.00 O ATOM 0 H GLU A 64 -7.155 -9.822 -15.254 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.846 -8.076 -16.731 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.070 -10.603 -16.239 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.636 -10.152 -14.643 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.509 -8.856 -15.658 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.932 -9.258 -17.263 1.00 0.00 H new ATOM 877 N SER A 65 -9.026 -7.771 -13.427 1.00 0.00 N ATOM 878 CA SER A 65 -9.381 -6.839 -12.341 1.00 0.00 C ATOM 879 C SER A 65 -8.677 -5.479 -12.519 1.00 0.00 C ATOM 880 O SER A 65 -9.300 -4.425 -12.413 1.00 0.00 O ATOM 881 CB SER A 65 -9.038 -7.476 -10.988 1.00 0.00 C ATOM 882 OG SER A 65 -9.507 -6.681 -9.906 1.00 0.00 O ATOM 0 H SER A 65 -8.603 -8.640 -13.100 1.00 0.00 H new ATOM 0 HA SER A 65 -10.453 -6.647 -12.376 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.481 -8.470 -10.930 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.958 -7.603 -10.907 1.00 0.00 H new ATOM 0 HG SER A 65 -9.275 -7.113 -9.058 1.00 0.00 H new ATOM 888 N ILE A 66 -7.396 -5.494 -12.905 1.00 0.00 N ATOM 889 CA ILE A 66 -6.620 -4.295 -13.303 1.00 0.00 C ATOM 890 C ILE A 66 -7.297 -3.504 -14.438 1.00 0.00 C ATOM 891 O ILE A 66 -7.492 -2.294 -14.340 1.00 0.00 O ATOM 892 CB ILE A 66 -5.197 -4.733 -13.720 1.00 0.00 C ATOM 893 CG1 ILE A 66 -4.441 -5.391 -12.545 1.00 0.00 C ATOM 894 CG2 ILE A 66 -4.406 -3.600 -14.396 1.00 0.00 C ATOM 895 CD1 ILE A 66 -3.553 -4.470 -11.718 1.00 0.00 C ATOM 0 H ILE A 66 -6.851 -6.355 -12.953 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.571 -3.623 -12.446 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.305 -5.502 -14.485 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.173 -5.849 -11.880 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.823 -6.196 -12.943 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.414 -3.961 -14.669 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.933 -3.274 -15.293 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.310 -2.762 -13.706 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.075 -5.043 -10.923 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.789 -4.030 -12.359 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.159 -3.677 -11.279 1.00 0.00 H new ATOM 907 N ALA A 67 -7.672 -4.192 -15.514 1.00 0.00 N ATOM 908 CA ALA A 67 -8.348 -3.633 -16.683 1.00 0.00 C ATOM 909 C ALA A 67 -9.733 -3.068 -16.329 1.00 0.00 C ATOM 910 O ALA A 67 -10.199 -2.134 -16.978 1.00 0.00 O ATOM 911 CB ALA A 67 -8.469 -4.727 -17.749 1.00 0.00 C ATOM 0 H ALA A 67 -7.507 -5.195 -15.599 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.757 -2.801 -17.065 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.972 -4.324 -18.628 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.474 -5.075 -18.028 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.047 -5.561 -17.351 1.00 0.00 H new ATOM 917 N ILE A 68 -10.376 -3.604 -15.287 1.00 0.00 N ATOM 918 CA ILE A 68 -11.603 -3.023 -14.722 1.00 0.00 C ATOM 919 C ILE A 68 -11.289 -1.775 -13.875 1.00 0.00 C ATOM 920 O ILE A 68 -11.982 -0.765 -14.022 1.00 0.00 O ATOM 921 CB ILE A 68 -12.404 -4.100 -13.946 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.963 -5.210 -14.873 1.00 0.00 C ATOM 923 CG2 ILE A 68 -13.547 -3.489 -13.113 1.00 0.00 C ATOM 924 CD1 ILE A 68 -14.008 -4.768 -15.908 1.00 0.00 C ATOM 0 H ILE A 68 -10.064 -4.450 -14.811 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.241 -2.681 -15.537 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.688 -4.559 -13.264 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.127 -5.666 -15.404 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.406 -5.986 -14.249 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.079 -4.282 -12.588 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.134 -2.787 -12.388 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.238 -2.964 -13.773 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -14.324 -5.629 -16.497 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -14.871 -4.343 -15.395 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.572 -4.018 -16.568 1.00 0.00 H new ATOM 936 N GLU A 69 -10.264 -1.815 -13.012 1.00 0.00 N ATOM 937 CA GLU A 69 -10.065 -0.790 -11.980 1.00 0.00 C ATOM 938 C GLU A 69 -9.166 0.398 -12.384 1.00 0.00 C ATOM 939 O GLU A 69 -9.429 1.513 -11.929 1.00 0.00 O ATOM 940 CB GLU A 69 -9.571 -1.433 -10.671 1.00 0.00 C ATOM 941 CG GLU A 69 -10.357 -0.943 -9.460 1.00 0.00 C ATOM 942 CD GLU A 69 -11.778 -1.531 -9.419 1.00 0.00 C ATOM 943 OE1 GLU A 69 -11.951 -2.631 -8.842 1.00 0.00 O ATOM 944 OE2 GLU A 69 -12.732 -0.885 -9.914 1.00 0.00 O ATOM 0 H GLU A 69 -9.557 -2.550 -13.009 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.050 -0.346 -11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.658 -2.517 -10.745 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.514 -1.206 -10.533 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.825 -1.216 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.415 0.145 -9.482 1.00 0.00 H new ATOM 951 N SER A 70 -8.140 0.223 -13.229 1.00 0.00 N ATOM 952 CA SER A 70 -7.358 1.356 -13.777 1.00 0.00 C ATOM 953 C SER A 70 -7.526 1.506 -15.294 1.00 0.00 C ATOM 954 O SER A 70 -7.529 2.637 -15.788 1.00 0.00 O ATOM 955 CB SER A 70 -5.859 1.240 -13.458 1.00 0.00 C ATOM 956 OG SER A 70 -5.292 0.084 -14.064 1.00 0.00 O ATOM 0 H SER A 70 -7.827 -0.692 -13.552 1.00 0.00 H new ATOM 0 HA SER A 70 -7.761 2.242 -13.286 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.339 2.131 -13.811 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.717 1.195 -12.378 1.00 0.00 H new ATOM 0 HG SER A 70 -6.003 -0.555 -14.280 1.00 0.00 H new ATOM 962 N GLU A 71 -7.682 0.390 -16.025 1.00 0.00 N ATOM 963 CA GLU A 71 -7.967 0.371 -17.468 1.00 0.00 C ATOM 964 C GLU A 71 -6.824 1.024 -18.285 1.00 0.00 C ATOM 965 O GLU A 71 -7.041 1.710 -19.284 1.00 0.00 O ATOM 966 CB GLU A 71 -9.367 0.968 -17.719 1.00 0.00 C ATOM 967 CG GLU A 71 -9.988 0.578 -19.070 1.00 0.00 C ATOM 968 CD GLU A 71 -11.424 1.111 -19.189 1.00 0.00 C ATOM 969 OE1 GLU A 71 -11.612 2.349 -19.290 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.384 0.304 -19.207 1.00 0.00 O ATOM 0 H GLU A 71 -7.612 -0.544 -15.620 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.997 -0.656 -17.832 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.035 0.647 -16.919 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.301 2.055 -17.663 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.380 0.976 -19.882 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.989 -0.507 -19.174 1.00 0.00 H new ATOM 977 N SER A 72 -5.574 0.827 -17.847 1.00 0.00 N ATOM 978 CA SER A 72 -4.369 1.384 -18.488 1.00 0.00 C ATOM 979 C SER A 72 -4.127 0.852 -19.916 1.00 0.00 C ATOM 980 O SER A 72 -3.544 1.545 -20.754 1.00 0.00 O ATOM 981 CB SER A 72 -3.156 1.065 -17.602 1.00 0.00 C ATOM 982 OG SER A 72 -3.074 -0.332 -17.325 1.00 0.00 O ATOM 0 H SER A 72 -5.365 0.266 -17.022 1.00 0.00 H new ATOM 0 HA SER A 72 -4.518 2.459 -18.588 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.243 1.394 -18.098 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.229 1.620 -16.667 1.00 0.00 H new ATOM 0 HG SER A 72 -2.292 -0.508 -16.761 1.00 0.00 H new ATOM 988 N ILE A 73 -4.615 -0.362 -20.201 1.00 0.00 N ATOM 989 CA ILE A 73 -4.641 -1.028 -21.515 1.00 0.00 C ATOM 990 C ILE A 73 -6.021 -1.682 -21.680 1.00 0.00 C ATOM 991 O ILE A 73 -6.442 -2.447 -20.809 1.00 0.00 O ATOM 992 CB ILE A 73 -3.496 -2.072 -21.603 1.00 0.00 C ATOM 993 CG1 ILE A 73 -2.080 -1.443 -21.573 1.00 0.00 C ATOM 994 CG2 ILE A 73 -3.635 -2.974 -22.842 1.00 0.00 C ATOM 995 CD1 ILE A 73 -1.704 -0.567 -22.779 1.00 0.00 C ATOM 0 H ILE A 73 -5.030 -0.945 -19.474 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.483 -0.312 -22.321 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.602 -2.679 -20.704 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.992 -0.839 -20.670 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.349 -2.247 -21.492 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.813 -3.690 -22.865 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.583 -3.511 -22.797 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.607 -2.361 -23.743 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.693 -0.182 -22.648 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.750 -1.163 -23.690 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.403 0.266 -22.855 1.00 0.00 H new ATOM 1007 N ASN A 74 -6.712 -1.396 -22.789 1.00 0.00 N ATOM 1008 CA ASN A 74 -8.113 -1.786 -23.010 1.00 0.00 C ATOM 1009 C ASN A 74 -8.370 -3.313 -23.080 1.00 0.00 C ATOM 1010 O ASN A 74 -9.261 -3.771 -22.356 1.00 0.00 O ATOM 1011 CB ASN A 74 -8.667 -1.059 -24.253 1.00 0.00 C ATOM 1012 CG ASN A 74 -8.802 0.456 -24.079 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -9.025 0.974 -22.991 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -8.675 1.213 -25.156 1.00 0.00 N ATOM 0 H ASN A 74 -6.310 -0.879 -23.571 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.656 -1.470 -22.120 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.012 -1.260 -25.101 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.644 -1.475 -24.499 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.763 2.226 -25.080 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.489 0.783 -26.062 1.00 0.00 H new ATOM 1021 N PRO A 75 -7.646 -4.119 -23.899 1.00 0.00 N ATOM 1022 CA PRO A 75 -7.837 -5.571 -23.946 1.00 0.00 C ATOM 1023 C PRO A 75 -7.380 -6.207 -22.632 1.00 0.00 C ATOM 1024 O PRO A 75 -6.204 -6.142 -22.270 1.00 0.00 O ATOM 1025 CB PRO A 75 -7.038 -6.072 -25.155 1.00 0.00 C ATOM 1026 CG PRO A 75 -5.968 -5.001 -25.348 1.00 0.00 C ATOM 1027 CD PRO A 75 -6.690 -3.722 -24.928 1.00 0.00 C ATOM 0 HA PRO A 75 -8.886 -5.845 -24.059 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.596 -7.050 -24.966 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -7.669 -6.172 -26.038 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -5.090 -5.191 -24.731 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.627 -4.952 -26.382 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.986 -2.985 -24.543 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.198 -3.264 -25.777 1.00 0.00 H new ATOM 1035 N GLU A 76 -8.319 -6.813 -21.903 1.00 0.00 N ATOM 1036 CA GLU A 76 -8.151 -7.235 -20.514 1.00 0.00 C ATOM 1037 C GLU A 76 -7.044 -8.284 -20.327 1.00 0.00 C ATOM 1038 O GLU A 76 -6.315 -8.243 -19.338 1.00 0.00 O ATOM 1039 CB GLU A 76 -9.498 -7.698 -19.928 1.00 0.00 C ATOM 1040 CG GLU A 76 -10.262 -8.790 -20.697 1.00 0.00 C ATOM 1041 CD GLU A 76 -11.243 -8.202 -21.725 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -10.799 -7.757 -22.811 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -12.468 -8.178 -21.455 1.00 0.00 O ATOM 0 H GLU A 76 -9.244 -7.029 -22.275 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.814 -6.364 -19.952 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.319 -8.060 -18.916 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.147 -6.827 -19.845 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.549 -9.438 -21.207 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.810 -9.413 -19.990 1.00 0.00 H new ATOM 1050 N SER A 77 -6.836 -9.164 -21.304 1.00 0.00 N ATOM 1051 CA SER A 77 -5.840 -10.245 -21.242 1.00 0.00 C ATOM 1052 C SER A 77 -4.397 -9.786 -21.545 1.00 0.00 C ATOM 1053 O SER A 77 -3.468 -10.591 -21.450 1.00 0.00 O ATOM 1054 CB SER A 77 -6.241 -11.358 -22.227 1.00 0.00 C ATOM 1055 OG SER A 77 -7.575 -11.808 -22.001 1.00 0.00 O ATOM 0 H SER A 77 -7.361 -9.150 -22.178 1.00 0.00 H new ATOM 0 HA SER A 77 -5.836 -10.607 -20.214 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.150 -10.990 -23.249 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.552 -12.197 -22.128 1.00 0.00 H new ATOM 0 HG SER A 77 -7.796 -12.513 -22.645 1.00 0.00 H new ATOM 1061 N SER A 78 -4.173 -8.523 -21.933 1.00 0.00 N ATOM 1062 CA SER A 78 -2.846 -8.026 -22.338 1.00 0.00 C ATOM 1063 C SER A 78 -1.878 -7.872 -21.149 1.00 0.00 C ATOM 1064 O SER A 78 -1.909 -6.891 -20.401 1.00 0.00 O ATOM 1065 CB SER A 78 -2.974 -6.715 -23.124 1.00 0.00 C ATOM 1066 OG SER A 78 -1.704 -6.338 -23.649 1.00 0.00 O ATOM 0 H SER A 78 -4.906 -7.815 -21.976 1.00 0.00 H new ATOM 0 HA SER A 78 -2.411 -8.782 -22.992 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.691 -6.836 -23.936 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.357 -5.928 -22.475 1.00 0.00 H new ATOM 0 HG SER A 78 -1.793 -5.501 -24.151 1.00 0.00 H new ATOM 1072 N ASN A 79 -0.970 -8.840 -20.989 1.00 0.00 N ATOM 1073 CA ASN A 79 0.002 -8.886 -19.893 1.00 0.00 C ATOM 1074 C ASN A 79 1.113 -7.820 -19.993 1.00 0.00 C ATOM 1075 O ASN A 79 1.864 -7.655 -19.039 1.00 0.00 O ATOM 1076 CB ASN A 79 0.584 -10.307 -19.795 1.00 0.00 C ATOM 1077 CG ASN A 79 1.508 -10.655 -20.960 1.00 0.00 C ATOM 1078 OD1 ASN A 79 1.064 -11.051 -22.032 1.00 0.00 O ATOM 1079 ND2 ASN A 79 2.811 -10.492 -20.798 1.00 0.00 N ATOM 0 H ASN A 79 -0.889 -9.629 -21.631 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.531 -8.639 -18.975 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.135 -10.404 -18.860 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.234 -11.027 -19.759 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.450 -10.696 -21.566 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.177 -10.162 -19.905 1.00 0.00 H new ATOM 1086 N LYS A 80 1.223 -7.060 -21.091 1.00 0.00 N ATOM 1087 CA LYS A 80 2.200 -5.961 -21.225 1.00 0.00 C ATOM 1088 C LYS A 80 1.872 -4.766 -20.310 1.00 0.00 C ATOM 1089 O LYS A 80 2.781 -4.088 -19.833 1.00 0.00 O ATOM 1090 CB LYS A 80 2.319 -5.600 -22.718 1.00 0.00 C ATOM 1091 CG LYS A 80 3.491 -4.643 -22.998 1.00 0.00 C ATOM 1092 CD LYS A 80 3.717 -4.333 -24.488 1.00 0.00 C ATOM 1093 CE LYS A 80 4.285 -5.508 -25.308 1.00 0.00 C ATOM 1094 NZ LYS A 80 3.234 -6.334 -25.967 1.00 0.00 N ATOM 0 H LYS A 80 0.637 -7.187 -21.916 1.00 0.00 H new ATOM 0 HA LYS A 80 3.180 -6.288 -20.876 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.451 -6.512 -23.300 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.389 -5.140 -23.053 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.315 -3.707 -22.468 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.403 -5.075 -22.587 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.770 -4.024 -24.929 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.399 -3.486 -24.570 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.960 -5.117 -26.070 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.879 -6.145 -24.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.618 -6.754 -26.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.932 -7.091 -25.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.418 -5.734 -26.203 1.00 0.00 H new ATOM 1108 N SER A 81 0.602 -4.592 -19.937 1.00 0.00 N ATOM 1109 CA SER A 81 0.233 -3.765 -18.775 1.00 0.00 C ATOM 1110 C SER A 81 0.942 -4.286 -17.514 1.00 0.00 C ATOM 1111 O SER A 81 1.741 -3.566 -16.929 1.00 0.00 O ATOM 1112 CB SER A 81 -1.298 -3.717 -18.632 1.00 0.00 C ATOM 1113 OG SER A 81 -1.743 -3.649 -17.282 1.00 0.00 O ATOM 0 H SER A 81 -0.192 -5.011 -20.420 1.00 0.00 H new ATOM 0 HA SER A 81 0.568 -2.738 -18.922 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.678 -2.852 -19.175 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.726 -4.602 -19.103 1.00 0.00 H new ATOM 0 HG SER A 81 -2.260 -2.827 -17.149 1.00 0.00 H new ATOM 1119 N ILE A 82 0.765 -5.557 -17.135 1.00 0.00 N ATOM 1120 CA ILE A 82 1.447 -6.129 -15.955 1.00 0.00 C ATOM 1121 C ILE A 82 2.978 -6.072 -16.066 1.00 0.00 C ATOM 1122 O ILE A 82 3.638 -5.834 -15.061 1.00 0.00 O ATOM 1123 CB ILE A 82 0.863 -7.528 -15.617 1.00 0.00 C ATOM 1124 CG1 ILE A 82 0.154 -7.534 -14.242 1.00 0.00 C ATOM 1125 CG2 ILE A 82 1.893 -8.673 -15.631 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -1.005 -6.536 -14.089 1.00 0.00 C ATOM 0 H ILE A 82 0.157 -6.213 -17.624 1.00 0.00 H new ATOM 0 HA ILE A 82 1.236 -5.499 -15.091 1.00 0.00 H new ATOM 0 HB ILE A 82 0.151 -7.714 -16.421 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.227 -8.538 -14.054 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.895 -7.325 -13.470 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.397 -9.612 -15.384 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.340 -8.748 -16.622 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.672 -8.470 -14.896 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.431 -6.623 -13.089 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.634 -5.522 -14.238 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.773 -6.754 -14.831 1.00 0.00 H new ATOM 1138 N ASP A 83 3.538 -6.185 -17.270 1.00 0.00 N ATOM 1139 CA ASP A 83 4.973 -5.997 -17.522 1.00 0.00 C ATOM 1140 C ASP A 83 5.439 -4.555 -17.237 1.00 0.00 C ATOM 1141 O ASP A 83 6.460 -4.386 -16.570 1.00 0.00 O ATOM 1142 CB ASP A 83 5.318 -6.412 -18.956 1.00 0.00 C ATOM 1143 CG ASP A 83 6.839 -6.442 -19.183 1.00 0.00 C ATOM 1144 OD1 ASP A 83 7.501 -7.387 -18.692 1.00 0.00 O ATOM 1145 OD2 ASP A 83 7.363 -5.534 -19.872 1.00 0.00 O ATOM 0 H ASP A 83 3.005 -6.412 -18.110 1.00 0.00 H new ATOM 0 HA ASP A 83 5.512 -6.640 -16.827 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.899 -7.397 -19.162 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.858 -5.717 -19.658 1.00 0.00 H new ATOM 1150 N VAL A 84 4.686 -3.525 -17.662 1.00 0.00 N ATOM 1151 CA VAL A 84 4.956 -2.127 -17.225 1.00 0.00 C ATOM 1152 C VAL A 84 4.809 -2.010 -15.717 1.00 0.00 C ATOM 1153 O VAL A 84 5.681 -1.436 -15.073 1.00 0.00 O ATOM 1154 CB VAL A 84 4.041 -1.046 -17.856 1.00 0.00 C ATOM 1155 CG1 VAL A 84 4.207 0.365 -17.262 1.00 0.00 C ATOM 1156 CG2 VAL A 84 4.348 -0.945 -19.362 1.00 0.00 C ATOM 0 H VAL A 84 3.895 -3.622 -18.298 1.00 0.00 H new ATOM 0 HA VAL A 84 5.973 -1.934 -17.567 1.00 0.00 H new ATOM 0 HB VAL A 84 3.022 -1.369 -17.646 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.528 1.054 -17.765 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.977 0.341 -16.197 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.234 0.701 -17.404 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.708 -0.187 -19.814 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.393 -0.669 -19.503 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.160 -1.908 -19.837 1.00 0.00 H new ATOM 1166 N ILE A 85 3.705 -2.515 -15.160 1.00 0.00 N ATOM 1167 CA ILE A 85 3.355 -2.284 -13.756 1.00 0.00 C ATOM 1168 C ILE A 85 4.416 -2.940 -12.878 1.00 0.00 C ATOM 1169 O ILE A 85 5.127 -2.246 -12.163 1.00 0.00 O ATOM 1170 CB ILE A 85 1.913 -2.774 -13.444 1.00 0.00 C ATOM 1171 CG1 ILE A 85 0.748 -2.117 -14.244 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.605 -2.629 -11.939 1.00 0.00 C ATOM 1173 CD1 ILE A 85 1.069 -0.980 -15.223 1.00 0.00 C ATOM 0 H ILE A 85 3.033 -3.092 -15.666 1.00 0.00 H new ATOM 0 HA ILE A 85 3.347 -1.215 -13.541 1.00 0.00 H new ATOM 0 HB ILE A 85 1.937 -3.813 -13.771 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.249 -2.906 -14.807 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.026 -1.736 -13.522 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.591 -2.977 -11.740 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.313 -3.225 -11.364 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.693 -1.582 -11.649 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.149 -0.636 -15.696 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.530 -0.154 -14.682 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.756 -1.342 -15.988 1.00 0.00 H new ATOM 1185 N ILE A 86 4.590 -4.253 -12.979 1.00 0.00 N ATOM 1186 CA ILE A 86 5.531 -5.010 -12.146 1.00 0.00 C ATOM 1187 C ILE A 86 6.978 -4.671 -12.504 1.00 0.00 C ATOM 1188 O ILE A 86 7.800 -4.566 -11.598 1.00 0.00 O ATOM 1189 CB ILE A 86 5.221 -6.520 -12.237 1.00 0.00 C ATOM 1190 CG1 ILE A 86 3.760 -6.834 -11.836 1.00 0.00 C ATOM 1191 CG2 ILE A 86 6.200 -7.355 -11.391 1.00 0.00 C ATOM 1192 CD1 ILE A 86 3.360 -6.496 -10.392 1.00 0.00 C ATOM 0 H ILE A 86 4.079 -4.832 -13.646 1.00 0.00 H new ATOM 0 HA ILE A 86 5.405 -4.719 -11.103 1.00 0.00 H new ATOM 0 HB ILE A 86 5.351 -6.800 -13.282 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.097 -6.292 -12.510 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.582 -7.897 -12.000 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.949 -8.412 -11.481 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.218 -7.192 -11.746 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.127 -7.053 -10.346 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.315 -6.761 -10.232 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.987 -7.058 -9.700 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.494 -5.428 -10.218 1.00 0.00 H new ATOM 1204 N GLY A 87 7.294 -4.399 -13.777 1.00 0.00 N ATOM 1205 CA GLY A 87 8.637 -3.983 -14.194 1.00 0.00 C ATOM 1206 C GLY A 87 9.050 -2.657 -13.560 1.00 0.00 C ATOM 1207 O GLY A 87 10.129 -2.575 -12.974 1.00 0.00 O ATOM 0 H GLY A 87 6.626 -4.461 -14.545 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.356 -4.755 -13.920 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.667 -3.890 -15.280 1.00 0.00 H new ATOM 1211 N ARG A 88 8.189 -1.630 -13.599 1.00 0.00 N ATOM 1212 CA ARG A 88 8.479 -0.329 -13.012 1.00 0.00 C ATOM 1213 C ARG A 88 8.295 -0.315 -11.484 1.00 0.00 C ATOM 1214 O ARG A 88 9.028 0.409 -10.819 1.00 0.00 O ATOM 1215 CB ARG A 88 7.644 0.733 -13.734 1.00 0.00 C ATOM 1216 CG ARG A 88 8.095 0.976 -15.182 1.00 0.00 C ATOM 1217 CD ARG A 88 7.323 2.154 -15.791 1.00 0.00 C ATOM 1218 NE ARG A 88 7.666 2.338 -17.213 1.00 0.00 N ATOM 1219 CZ ARG A 88 7.127 3.222 -18.046 1.00 0.00 C ATOM 1220 NH1 ARG A 88 6.187 4.064 -17.663 1.00 0.00 N ATOM 1221 NH2 ARG A 88 7.532 3.271 -19.296 1.00 0.00 N ATOM 0 H ARG A 88 7.272 -1.686 -14.041 1.00 0.00 H new ATOM 0 HA ARG A 88 9.534 -0.096 -13.157 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.598 0.426 -13.733 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.702 1.670 -13.180 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.165 1.182 -15.207 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.930 0.078 -15.777 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.252 1.980 -15.692 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.550 3.066 -15.238 1.00 0.00 H new ATOM 0 HE ARG A 88 8.388 1.727 -17.595 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.851 4.050 -16.700 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.796 4.729 -18.330 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.257 2.632 -19.623 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.121 3.948 -19.939 1.00 0.00 H new ATOM 1235 N LEU A 89 7.424 -1.151 -10.897 1.00 0.00 N ATOM 1236 CA LEU A 89 7.379 -1.424 -9.450 1.00 0.00 C ATOM 1237 C LEU A 89 8.737 -1.982 -8.996 1.00 0.00 C ATOM 1238 O LEU A 89 9.361 -1.399 -8.112 1.00 0.00 O ATOM 1239 CB LEU A 89 6.192 -2.382 -9.180 1.00 0.00 C ATOM 1240 CG LEU A 89 5.617 -2.421 -7.753 1.00 0.00 C ATOM 1241 CD1 LEU A 89 4.398 -3.357 -7.734 1.00 0.00 C ATOM 1242 CD2 LEU A 89 6.625 -2.892 -6.697 1.00 0.00 C ATOM 0 H LEU A 89 6.718 -1.666 -11.423 1.00 0.00 H new ATOM 0 HA LEU A 89 7.211 -0.518 -8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.384 -2.115 -9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.509 -3.391 -9.442 1.00 0.00 H new ATOM 0 HG LEU A 89 5.344 -1.398 -7.493 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.982 -3.392 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.642 -2.985 -8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.704 -4.359 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.150 -2.894 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.962 -3.900 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.481 -2.217 -6.684 1.00 0.00 H new ATOM 1254 N ARG A 90 9.244 -3.028 -9.666 1.00 0.00 N ATOM 1255 CA ARG A 90 10.592 -3.579 -9.458 1.00 0.00 C ATOM 1256 C ARG A 90 11.671 -2.497 -9.593 1.00 0.00 C ATOM 1257 O ARG A 90 12.527 -2.401 -8.721 1.00 0.00 O ATOM 1258 CB ARG A 90 10.856 -4.775 -10.394 1.00 0.00 C ATOM 1259 CG ARG A 90 10.115 -6.057 -9.972 1.00 0.00 C ATOM 1260 CD ARG A 90 10.758 -6.750 -8.764 1.00 0.00 C ATOM 1261 NE ARG A 90 10.000 -7.953 -8.376 1.00 0.00 N ATOM 1262 CZ ARG A 90 10.308 -8.800 -7.399 1.00 0.00 C ATOM 1263 NH1 ARG A 90 11.385 -8.652 -6.656 1.00 0.00 N ATOM 1264 NH2 ARG A 90 9.520 -9.825 -7.154 1.00 0.00 N ATOM 0 H ARG A 90 8.717 -3.525 -10.383 1.00 0.00 H new ATOM 0 HA ARG A 90 10.643 -3.951 -8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.556 -4.507 -11.407 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.927 -4.976 -10.422 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.080 -5.811 -9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.093 -6.751 -10.813 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.785 -7.025 -9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.801 -6.057 -7.924 1.00 0.00 H new ATOM 0 HE ARG A 90 9.155 -8.156 -8.910 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.015 -7.867 -6.822 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.589 -9.322 -5.915 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.678 -9.966 -7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.751 -10.478 -6.406 1.00 0.00 H new ATOM 1278 N SER A 91 11.597 -1.617 -10.595 1.00 0.00 N ATOM 1279 CA SER A 91 12.517 -0.470 -10.711 1.00 0.00 C ATOM 1280 C SER A 91 12.465 0.464 -9.495 1.00 0.00 C ATOM 1281 O SER A 91 13.509 0.759 -8.910 1.00 0.00 O ATOM 1282 CB SER A 91 12.265 0.331 -12.000 1.00 0.00 C ATOM 1283 OG SER A 91 12.382 -0.472 -13.169 1.00 0.00 O ATOM 0 H SER A 91 10.907 -1.673 -11.344 1.00 0.00 H new ATOM 0 HA SER A 91 13.518 -0.899 -10.752 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.268 0.770 -11.963 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.975 1.156 -12.057 1.00 0.00 H new ATOM 0 HG SER A 91 11.678 -1.154 -13.169 1.00 0.00 H new ATOM 1289 N LYS A 92 11.273 0.886 -9.049 1.00 0.00 N ATOM 1290 CA LYS A 92 11.152 1.725 -7.845 1.00 0.00 C ATOM 1291 C LYS A 92 11.698 1.036 -6.575 1.00 0.00 C ATOM 1292 O LYS A 92 12.421 1.668 -5.806 1.00 0.00 O ATOM 1293 CB LYS A 92 9.684 2.169 -7.685 1.00 0.00 C ATOM 1294 CG LYS A 92 9.173 3.137 -8.773 1.00 0.00 C ATOM 1295 CD LYS A 92 9.899 4.498 -8.803 1.00 0.00 C ATOM 1296 CE LYS A 92 11.039 4.585 -9.837 1.00 0.00 C ATOM 1297 NZ LYS A 92 10.534 4.793 -11.227 1.00 0.00 N ATOM 0 H LYS A 92 10.385 0.663 -9.499 1.00 0.00 H new ATOM 0 HA LYS A 92 11.778 2.608 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.050 1.282 -7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.569 2.646 -6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.280 2.660 -9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.108 3.310 -8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.171 5.281 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.306 4.702 -7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.706 5.404 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.629 3.669 -9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.338 4.845 -11.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.918 3.999 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.993 5.680 -11.271 1.00 0.00 H new ATOM 1311 N ILE A 93 11.419 -0.256 -6.361 1.00 0.00 N ATOM 1312 CA ILE A 93 11.838 -0.987 -5.133 1.00 0.00 C ATOM 1313 C ILE A 93 13.274 -1.542 -5.193 1.00 0.00 C ATOM 1314 O ILE A 93 13.816 -1.936 -4.162 1.00 0.00 O ATOM 1315 CB ILE A 93 10.781 -2.036 -4.699 1.00 0.00 C ATOM 1316 CG1 ILE A 93 10.643 -3.290 -5.590 1.00 0.00 C ATOM 1317 CG2 ILE A 93 9.415 -1.340 -4.599 1.00 0.00 C ATOM 1318 CD1 ILE A 93 11.797 -4.299 -5.510 1.00 0.00 C ATOM 0 H ILE A 93 10.900 -0.832 -7.024 1.00 0.00 H new ATOM 0 HA ILE A 93 11.880 -0.243 -4.337 1.00 0.00 H new ATOM 0 HB ILE A 93 11.140 -2.419 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.719 -3.802 -5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.540 -2.967 -6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.659 -2.064 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.468 -0.539 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.147 -0.923 -5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.594 -5.138 -6.176 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.726 -3.814 -5.810 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.892 -4.663 -4.487 1.00 0.00 H new ATOM 1330 N GLU A 94 13.903 -1.546 -6.373 1.00 0.00 N ATOM 1331 CA GLU A 94 15.340 -1.794 -6.545 1.00 0.00 C ATOM 1332 C GLU A 94 16.151 -0.504 -6.314 1.00 0.00 C ATOM 1333 O GLU A 94 17.194 -0.538 -5.655 1.00 0.00 O ATOM 1334 CB GLU A 94 15.591 -2.371 -7.948 1.00 0.00 C ATOM 1335 CG GLU A 94 17.053 -2.764 -8.180 1.00 0.00 C ATOM 1336 CD GLU A 94 17.225 -3.444 -9.545 1.00 0.00 C ATOM 1337 OE1 GLU A 94 17.387 -2.734 -10.567 1.00 0.00 O ATOM 1338 OE2 GLU A 94 17.207 -4.697 -9.611 1.00 0.00 O ATOM 0 H GLU A 94 13.418 -1.373 -7.254 1.00 0.00 H new ATOM 0 HA GLU A 94 15.673 -2.519 -5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.958 -3.246 -8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.295 -1.635 -8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.685 -1.877 -8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.383 -3.437 -7.389 1.00 0.00 H new ATOM 1345 N LYS A 95 15.675 0.645 -6.820 1.00 0.00 N ATOM 1346 CA LYS A 95 16.332 1.944 -6.621 1.00 0.00 C ATOM 1347 C LYS A 95 16.238 2.435 -5.160 1.00 0.00 C ATOM 1348 O LYS A 95 17.239 2.878 -4.589 1.00 0.00 O ATOM 1349 CB LYS A 95 15.729 2.944 -7.627 1.00 0.00 C ATOM 1350 CG LYS A 95 16.459 4.298 -7.608 1.00 0.00 C ATOM 1351 CD LYS A 95 15.943 5.272 -8.681 1.00 0.00 C ATOM 1352 CE LYS A 95 16.190 4.824 -10.135 1.00 0.00 C ATOM 1353 NZ LYS A 95 17.635 4.808 -10.498 1.00 0.00 N ATOM 0 H LYS A 95 14.823 0.698 -7.379 1.00 0.00 H new ATOM 0 HA LYS A 95 17.401 1.846 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.777 2.521 -8.630 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.675 3.098 -7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.343 4.754 -6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.526 4.132 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.872 5.415 -8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.417 6.242 -8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.773 3.827 -10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.658 5.493 -10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.741 4.500 -11.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.031 5.764 -10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 18.143 4.150 -9.873 1.00 0.00 H new ATOM 1367 N ASN A 96 15.056 2.334 -4.541 1.00 0.00 N ATOM 1368 CA ASN A 96 14.840 2.647 -3.120 1.00 0.00 C ATOM 1369 C ASN A 96 15.284 1.477 -2.201 1.00 0.00 C ATOM 1370 O ASN A 96 15.299 0.329 -2.654 1.00 0.00 O ATOM 1371 CB ASN A 96 13.352 3.004 -2.908 1.00 0.00 C ATOM 1372 CG ASN A 96 12.915 4.275 -3.645 1.00 0.00 C ATOM 1373 OD1 ASN A 96 13.711 5.149 -3.970 1.00 0.00 O ATOM 1374 ND2 ASN A 96 11.630 4.427 -3.914 1.00 0.00 N ATOM 0 H ASN A 96 14.208 2.028 -5.019 1.00 0.00 H new ATOM 0 HA ASN A 96 15.457 3.502 -2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.736 2.170 -3.243 1.00 0.00 H new ATOM 0 HB3 ASN A 96 13.166 3.130 -1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 96 11.305 5.268 -4.390 1.00 0.00 H new ATOM 0 HD22 ASN A 96 10.964 3.703 -3.646 1.00 0.00 H new ATOM 1381 N PRO A 97 15.608 1.728 -0.912 1.00 0.00 N ATOM 1382 CA PRO A 97 15.945 0.674 0.053 1.00 0.00 C ATOM 1383 C PRO A 97 14.722 -0.153 0.495 1.00 0.00 C ATOM 1384 O PRO A 97 14.880 -1.289 0.939 1.00 0.00 O ATOM 1385 CB PRO A 97 16.588 1.406 1.236 1.00 0.00 C ATOM 1386 CG PRO A 97 15.927 2.783 1.206 1.00 0.00 C ATOM 1387 CD PRO A 97 15.752 3.043 -0.290 1.00 0.00 C ATOM 0 HA PRO A 97 16.617 -0.059 -0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.399 0.891 2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.670 1.478 1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.972 2.785 1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.551 3.542 1.678 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.875 3.662 -0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.612 3.575 -0.697 1.00 0.00 H new ATOM 1395 N LYS A 98 13.504 0.389 0.357 1.00 0.00 N ATOM 1396 CA LYS A 98 12.235 -0.295 0.644 1.00 0.00 C ATOM 1397 C LYS A 98 12.027 -1.555 -0.228 1.00 0.00 C ATOM 1398 O LYS A 98 11.837 -1.439 -1.438 1.00 0.00 O ATOM 1399 CB LYS A 98 11.116 0.734 0.436 1.00 0.00 C ATOM 1400 CG LYS A 98 9.732 0.168 0.798 1.00 0.00 C ATOM 1401 CD LYS A 98 8.764 0.080 -0.395 1.00 0.00 C ATOM 1402 CE LYS A 98 8.466 -1.332 -0.930 1.00 0.00 C ATOM 1403 NZ LYS A 98 7.373 -1.289 -1.960 1.00 0.00 N ATOM 0 H LYS A 98 13.370 1.347 0.032 1.00 0.00 H new ATOM 0 HA LYS A 98 12.236 -0.663 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.317 1.615 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.113 1.060 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.857 -0.827 1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.285 0.793 1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.820 0.542 -0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.172 0.676 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.369 -1.759 -1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.172 -1.984 -0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.198 -2.249 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.503 -0.918 -1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.660 -0.671 -2.745 1.00 0.00 H new ATOM 1417 N GLN A 99 11.958 -2.746 0.380 1.00 0.00 N ATOM 1418 CA GLN A 99 11.696 -4.020 -0.320 1.00 0.00 C ATOM 1419 C GLN A 99 10.222 -4.477 -0.186 1.00 0.00 C ATOM 1420 O GLN A 99 9.566 -4.116 0.796 1.00 0.00 O ATOM 1421 CB GLN A 99 12.665 -5.111 0.193 1.00 0.00 C ATOM 1422 CG GLN A 99 12.496 -5.512 1.673 1.00 0.00 C ATOM 1423 CD GLN A 99 13.197 -6.836 1.983 1.00 0.00 C ATOM 1424 OE1 GLN A 99 14.309 -6.884 2.498 1.00 0.00 O ATOM 1425 NE2 GLN A 99 12.582 -7.961 1.669 1.00 0.00 N ATOM 0 H GLN A 99 12.084 -2.858 1.386 1.00 0.00 H new ATOM 0 HA GLN A 99 11.872 -3.856 -1.383 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.539 -6.002 -0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.687 -4.763 0.044 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.901 -4.727 2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.435 -5.598 1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.657 -7.934 1.240 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.032 -8.857 1.855 1.00 0.00 H new ATOM 1434 N PRO A 100 9.706 -5.316 -1.112 1.00 0.00 N ATOM 1435 CA PRO A 100 8.493 -6.108 -0.896 1.00 0.00 C ATOM 1436 C PRO A 100 8.741 -7.195 0.156 1.00 0.00 C ATOM 1437 O PRO A 100 9.879 -7.551 0.464 1.00 0.00 O ATOM 1438 CB PRO A 100 8.136 -6.692 -2.269 1.00 0.00 C ATOM 1439 CG PRO A 100 9.502 -6.863 -2.932 1.00 0.00 C ATOM 1440 CD PRO A 100 10.287 -5.660 -2.409 1.00 0.00 C ATOM 0 HA PRO A 100 7.668 -5.510 -0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.609 -7.642 -2.179 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.492 -6.022 -2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 100 9.972 -7.805 -2.652 1.00 0.00 H new ATOM 0 HG3 PRO A 100 9.427 -6.855 -4.019 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.345 -5.902 -2.308 1.00 0.00 H new ATOM 0 HD3 PRO A 100 10.216 -4.820 -3.101 1.00 0.00 H new ATOM 1448 N GLN A 101 7.640 -7.696 0.722 1.00 0.00 N ATOM 1449 CA GLN A 101 7.624 -8.560 1.909 1.00 0.00 C ATOM 1450 C GLN A 101 6.220 -9.138 2.165 1.00 0.00 C ATOM 1451 O GLN A 101 6.111 -10.346 2.373 1.00 0.00 O ATOM 1452 CB GLN A 101 8.232 -7.826 3.129 1.00 0.00 C ATOM 1453 CG GLN A 101 7.688 -6.412 3.412 1.00 0.00 C ATOM 1454 CD GLN A 101 8.634 -5.594 4.294 1.00 0.00 C ATOM 1455 OE1 GLN A 101 8.706 -5.766 5.504 1.00 0.00 O ATOM 1456 NE2 GLN A 101 9.398 -4.677 3.728 1.00 0.00 N ATOM 0 H GLN A 101 6.706 -7.507 0.357 1.00 0.00 H new ATOM 0 HA GLN A 101 8.263 -9.424 1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.068 -8.440 4.015 1.00 0.00 H new ATOM 0 HB3 GLN A 101 9.310 -7.756 2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.531 -5.889 2.468 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.716 -6.489 3.899 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.349 -4.523 2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.037 -4.123 4.298 1.00 0.00 H new ATOM 1465 N TYR A 102 5.143 -8.333 2.065 1.00 0.00 N ATOM 1466 CA TYR A 102 3.752 -8.853 2.129 1.00 0.00 C ATOM 1467 C TYR A 102 3.000 -8.907 0.779 1.00 0.00 C ATOM 1468 O TYR A 102 1.779 -9.078 0.749 1.00 0.00 O ATOM 1469 CB TYR A 102 2.993 -8.112 3.243 1.00 0.00 C ATOM 1470 CG TYR A 102 3.206 -8.717 4.620 1.00 0.00 C ATOM 1471 CD1 TYR A 102 4.345 -8.385 5.382 1.00 0.00 C ATOM 1472 CD2 TYR A 102 2.269 -9.637 5.132 1.00 0.00 C ATOM 1473 CE1 TYR A 102 4.544 -8.963 6.650 1.00 0.00 C ATOM 1474 CE2 TYR A 102 2.459 -10.216 6.402 1.00 0.00 C ATOM 1475 CZ TYR A 102 3.600 -9.879 7.167 1.00 0.00 C ATOM 1476 OH TYR A 102 3.794 -10.433 8.398 1.00 0.00 O ATOM 0 H TYR A 102 5.204 -7.323 1.940 1.00 0.00 H new ATOM 0 HA TYR A 102 3.810 -9.911 2.384 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.311 -7.070 3.259 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.928 -8.117 3.012 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.068 -7.684 4.991 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.400 -9.900 4.547 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.419 -8.706 7.228 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.735 -10.916 6.791 1.00 0.00 H new ATOM 0 HH TYR A 102 3.053 -11.040 8.604 1.00 0.00 H new ATOM 1486 N ILE A 103 3.712 -8.812 -0.351 1.00 0.00 N ATOM 1487 CA ILE A 103 3.181 -9.176 -1.685 1.00 0.00 C ATOM 1488 C ILE A 103 3.865 -10.480 -2.151 1.00 0.00 C ATOM 1489 O ILE A 103 5.084 -10.613 -2.030 1.00 0.00 O ATOM 1490 CB ILE A 103 3.427 -8.058 -2.736 1.00 0.00 C ATOM 1491 CG1 ILE A 103 3.069 -6.635 -2.242 1.00 0.00 C ATOM 1492 CG2 ILE A 103 2.621 -8.365 -4.015 1.00 0.00 C ATOM 1493 CD1 ILE A 103 4.283 -5.845 -1.739 1.00 0.00 C ATOM 0 H ILE A 103 4.676 -8.480 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 103 2.103 -9.312 -1.598 1.00 0.00 H new ATOM 0 HB ILE A 103 4.499 -8.059 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.597 -6.084 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.335 -6.710 -1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.794 -7.580 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.940 -9.324 -4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.559 -8.408 -3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.963 -4.857 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.743 -6.376 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.008 -5.739 -2.546 1.00 0.00 H new ATOM 1505 N ILE A 104 3.101 -11.423 -2.710 1.00 0.00 N ATOM 1506 CA ILE A 104 3.586 -12.683 -3.321 1.00 0.00 C ATOM 1507 C ILE A 104 3.111 -12.766 -4.787 1.00 0.00 C ATOM 1508 O ILE A 104 2.009 -12.334 -5.108 1.00 0.00 O ATOM 1509 CB ILE A 104 3.109 -13.889 -2.465 1.00 0.00 C ATOM 1510 CG1 ILE A 104 3.701 -13.817 -1.033 1.00 0.00 C ATOM 1511 CG2 ILE A 104 3.462 -15.238 -3.127 1.00 0.00 C ATOM 1512 CD1 ILE A 104 3.164 -14.879 -0.063 1.00 0.00 C ATOM 0 H ILE A 104 2.086 -11.334 -2.756 1.00 0.00 H new ATOM 0 HA ILE A 104 4.676 -12.707 -3.336 1.00 0.00 H new ATOM 0 HB ILE A 104 2.023 -13.828 -2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.784 -13.918 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.496 -12.830 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.111 -16.055 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 104 2.982 -15.301 -4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.543 -15.312 -3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.634 -14.752 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.084 -14.768 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.392 -15.873 -0.449 1.00 0.00 H new ATOM 1524 N SER A 105 3.905 -13.314 -5.705 1.00 0.00 N ATOM 1525 CA SER A 105 3.563 -13.463 -7.125 1.00 0.00 C ATOM 1526 C SER A 105 3.006 -14.866 -7.452 1.00 0.00 C ATOM 1527 O SER A 105 3.464 -15.879 -6.915 1.00 0.00 O ATOM 1528 CB SER A 105 4.799 -13.147 -7.989 1.00 0.00 C ATOM 1529 OG SER A 105 5.935 -13.920 -7.610 1.00 0.00 O ATOM 0 H SER A 105 4.831 -13.678 -5.479 1.00 0.00 H new ATOM 0 HA SER A 105 2.768 -12.754 -7.355 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.566 -13.337 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.038 -12.087 -7.903 1.00 0.00 H new ATOM 0 HG SER A 105 6.694 -13.689 -8.185 1.00 0.00 H new ATOM 1535 N VAL A 106 2.016 -14.929 -8.354 1.00 0.00 N ATOM 1536 CA VAL A 106 1.368 -16.167 -8.839 1.00 0.00 C ATOM 1537 C VAL A 106 1.449 -16.225 -10.370 1.00 0.00 C ATOM 1538 O VAL A 106 0.705 -15.536 -11.072 1.00 0.00 O ATOM 1539 CB VAL A 106 -0.103 -16.281 -8.354 1.00 0.00 C ATOM 1540 CG1 VAL A 106 -0.714 -17.632 -8.770 1.00 0.00 C ATOM 1541 CG2 VAL A 106 -0.224 -16.132 -6.826 1.00 0.00 C ATOM 0 H VAL A 106 1.626 -14.091 -8.785 1.00 0.00 H new ATOM 0 HA VAL A 106 1.903 -17.019 -8.419 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.648 -15.464 -8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.744 -17.689 -8.419 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.695 -17.721 -9.856 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.136 -18.444 -8.329 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.270 -16.219 -6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.355 -16.915 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.157 -15.157 -6.524 1.00 0.00 H new ATOM 1601 N GLY A 110 -1.307 -13.305 -11.574 1.00 0.00 N ATOM 1602 CA GLY A 110 -1.888 -12.657 -10.399 1.00 0.00 C ATOM 1603 C GLY A 110 -0.833 -12.362 -9.335 1.00 0.00 C ATOM 1604 O GLY A 110 0.204 -13.025 -9.275 1.00 0.00 O ATOM 0 HA2 GLY A 110 -2.372 -11.727 -10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.662 -13.297 -9.976 1.00 0.00 H new ATOM 1608 N TYR A 111 -1.102 -11.396 -8.458 1.00 0.00 N ATOM 1609 CA TYR A 111 -0.224 -11.070 -7.324 1.00 0.00 C ATOM 1610 C TYR A 111 -1.019 -10.999 -6.019 1.00 0.00 C ATOM 1611 O TYR A 111 -1.891 -10.156 -5.824 1.00 0.00 O ATOM 1612 CB TYR A 111 0.568 -9.786 -7.592 1.00 0.00 C ATOM 1613 CG TYR A 111 1.347 -9.829 -8.897 1.00 0.00 C ATOM 1614 CD1 TYR A 111 0.698 -9.565 -10.120 1.00 0.00 C ATOM 1615 CD2 TYR A 111 2.691 -10.247 -8.897 1.00 0.00 C ATOM 1616 CE1 TYR A 111 1.360 -9.793 -11.340 1.00 0.00 C ATOM 1617 CE2 TYR A 111 3.368 -10.456 -10.114 1.00 0.00 C ATOM 1618 CZ TYR A 111 2.695 -10.252 -11.339 1.00 0.00 C ATOM 1619 OH TYR A 111 3.344 -10.476 -12.517 1.00 0.00 O ATOM 0 H TYR A 111 -1.937 -10.813 -8.510 1.00 0.00 H new ATOM 0 HA TYR A 111 0.503 -11.874 -7.211 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -0.119 -8.940 -7.613 1.00 0.00 H new ATOM 0 HB3 TYR A 111 1.260 -9.614 -6.768 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -0.313 -9.186 -10.120 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.205 -10.408 -7.961 1.00 0.00 H new ATOM 0 HE1 TYR A 111 0.848 -9.617 -12.275 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.401 -10.772 -10.111 1.00 0.00 H new ATOM 0 HH TYR A 111 4.255 -10.788 -12.334 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.716 -11.934 -5.130 1.00 0.00 N ATOM 1630 CA LYS A 112 -1.366 -12.123 -3.837 1.00 0.00 C ATOM 1631 C LYS A 112 -0.900 -11.055 -2.836 1.00 0.00 C ATOM 1632 O LYS A 112 0.298 -10.825 -2.656 1.00 0.00 O ATOM 1633 CB LYS A 112 -1.097 -13.559 -3.359 1.00 0.00 C ATOM 1634 CG LYS A 112 -1.781 -13.902 -2.023 1.00 0.00 C ATOM 1635 CD LYS A 112 -1.478 -15.354 -1.618 1.00 0.00 C ATOM 1636 CE LYS A 112 -2.019 -15.713 -0.222 1.00 0.00 C ATOM 1637 NZ LYS A 112 -3.505 -15.817 -0.180 1.00 0.00 N ATOM 0 H LYS A 112 0.025 -12.615 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.445 -11.995 -3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.439 -14.257 -4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.022 -13.703 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.434 -13.222 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.858 -13.761 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.912 -16.029 -2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -0.400 -15.513 -1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.585 -16.661 0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.693 -14.957 0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -3.809 -16.061 0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -3.925 -14.906 -0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -3.820 -16.557 -0.839 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.857 -10.430 -2.160 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.649 -9.379 -1.161 1.00 0.00 C ATOM 1653 C LEU A 113 -2.677 -9.543 -0.031 1.00 0.00 C ATOM 1654 O LEU A 113 -3.663 -10.265 -0.178 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.759 -8.004 -1.876 1.00 0.00 C ATOM 1656 CG LEU A 113 -0.549 -7.074 -1.680 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -0.659 -5.871 -2.627 1.00 0.00 C ATOM 1658 CD2 LEU A 113 -0.426 -6.561 -0.239 1.00 0.00 C ATOM 0 H LEU A 113 -2.844 -10.649 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.661 -9.447 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.898 -8.176 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.653 -7.494 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 113 0.341 -7.662 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.200 -5.216 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.681 -6.221 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.575 -5.321 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.444 -5.910 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.324 -6.002 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.311 -7.406 0.440 1.00 0.00 H new ATOM 1670 N GLU A 114 -2.480 -8.833 1.078 1.00 0.00 N ATOM 1671 CA GLU A 114 -3.437 -8.790 2.195 1.00 0.00 C ATOM 1672 C GLU A 114 -3.528 -7.407 2.871 1.00 0.00 C ATOM 1673 O GLU A 114 -2.616 -6.583 2.763 1.00 0.00 O ATOM 1674 CB GLU A 114 -3.107 -9.901 3.209 1.00 0.00 C ATOM 1675 CG GLU A 114 -1.726 -9.788 3.868 1.00 0.00 C ATOM 1676 CD GLU A 114 -1.491 -10.971 4.820 1.00 0.00 C ATOM 1677 OE1 GLU A 114 -0.981 -12.024 4.370 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -1.822 -10.862 6.026 1.00 0.00 O ATOM 0 H GLU A 114 -1.647 -8.265 1.233 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.428 -8.970 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -3.867 -9.897 3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.174 -10.865 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.951 -9.769 3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -1.654 -8.850 4.418 1.00 0.00 H new ATOM 1685 N TYR A 115 -4.659 -7.165 3.553 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.979 -5.945 4.318 1.00 0.00 C ATOM 1687 C TYR A 115 -4.390 -5.997 5.744 1.00 0.00 C ATOM 1688 O TYR A 115 -3.661 -5.053 6.130 1.00 0.00 O ATOM 1689 CB TYR A 115 -6.509 -5.775 4.328 1.00 0.00 C ATOM 1690 CG TYR A 115 -7.064 -4.545 5.029 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -7.268 -4.556 6.423 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -7.464 -3.426 4.272 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -7.869 -3.451 7.060 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -8.081 -2.325 4.901 1.00 0.00 C ATOM 1695 CZ TYR A 115 -8.286 -2.337 6.301 1.00 0.00 C ATOM 1696 OH TYR A 115 -8.891 -1.286 6.923 1.00 0.00 O ATOM 1697 OXT TYR A 115 -4.644 -6.984 6.476 1.00 0.00 O ATOM 0 H TYR A 115 -5.415 -7.849 3.589 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.522 -5.077 3.842 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.855 -5.760 3.294 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.944 -6.657 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.963 -5.413 7.005 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.297 -3.411 3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.010 -3.457 8.131 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.396 -1.474 4.315 1.00 0.00 H new ATOM 0 HH TYR A 115 -9.116 -0.599 6.261 1.00 0.00 H new