USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 852 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 72 THR OG1 : rot 8:sc= 0.251 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -103:sc= -2.26! (180deg=-5.61!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -2.05! C(o=-3!,f=-2.1!) USER MOD Single : A 20 THR OG1 : rot -72:sc= 0.685 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 168:sc= -6.96! (180deg=-7.66!) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.62! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= -0.0225 (180deg=-0.317) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.251 USER MOD Single : A 42 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.6!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -81:sc= -0.699 USER MOD Single : A 54 THR OG1 : rot 41:sc= -3.35! USER MOD Single : A 56 THR OG1 : rot -150:sc= -0.371 USER MOD Single : A 57 SER OG : rot 17:sc= 0.697 USER MOD Single : A 59 CYS SG : rot 180:sc= -4.52! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 169:sc= -1.84! USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0194 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc=-0.00851 X(o=-0.0085,f=-0.044) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 82 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.32) USER MOD Single : A 97 ASN : amide:sc= -0.485 X(o=-0.49,f=-0.045) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.075) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= -2.47! USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -8.592 8.595 3.582 1.00 0.00 N ATOM 72 CA ARG A 5 -7.665 7.432 3.485 1.00 0.00 C ATOM 73 C ARG A 5 -7.715 6.631 4.788 1.00 0.00 C ATOM 74 O ARG A 5 -7.869 7.180 5.860 1.00 0.00 O ATOM 75 CB ARG A 5 -6.239 7.934 3.250 1.00 0.00 C ATOM 76 CG ARG A 5 -6.275 9.185 2.371 1.00 0.00 C ATOM 77 CD ARG A 5 -6.107 10.429 3.245 1.00 0.00 C ATOM 78 NE ARG A 5 -4.877 11.164 2.835 1.00 0.00 N ATOM 79 CZ ARG A 5 -4.935 12.053 1.882 1.00 0.00 C ATOM 80 NH1 ARG A 5 -5.951 12.868 1.813 1.00 0.00 N ATOM 81 NH2 ARG A 5 -3.976 12.127 1.000 1.00 0.00 N ATOM 0 HA ARG A 5 -7.967 6.795 2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.760 8.160 4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.643 7.157 2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.481 9.141 1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.219 9.234 1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.979 11.075 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.039 10.142 4.294 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.990 10.972 3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -6.699 12.810 2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.997 13.563 1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.181 11.490 1.056 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.021 12.822 0.255 1.00 0.00 H new ATOM 95 N ILE A 6 -7.585 5.335 4.703 1.00 0.00 N ATOM 96 CA ILE A 6 -7.624 4.501 5.937 1.00 0.00 C ATOM 97 C ILE A 6 -6.310 4.665 6.703 1.00 0.00 C ATOM 98 O ILE A 6 -6.302 4.908 7.894 1.00 0.00 O ATOM 99 CB ILE A 6 -7.812 3.032 5.556 1.00 0.00 C ATOM 100 CG1 ILE A 6 -9.148 2.862 4.829 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.809 2.172 6.821 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.076 1.641 3.910 1.00 0.00 C ATOM 0 H ILE A 6 -7.454 4.819 3.833 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.455 4.821 6.566 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.998 2.719 4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.955 2.740 5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.374 3.756 4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.943 1.125 6.549 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.859 2.293 7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.623 2.484 7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.027 1.519 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.280 1.782 3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.870 0.750 4.504 1.00 0.00 H new ATOM 114 N ARG A 7 -5.199 4.538 6.031 1.00 0.00 N ATOM 115 CA ARG A 7 -3.889 4.688 6.723 1.00 0.00 C ATOM 116 C ARG A 7 -2.946 5.527 5.861 1.00 0.00 C ATOM 117 O ARG A 7 -2.930 5.415 4.652 1.00 0.00 O ATOM 118 CB ARG A 7 -3.271 3.310 6.960 1.00 0.00 C ATOM 119 CG ARG A 7 -3.225 3.026 8.462 1.00 0.00 C ATOM 120 CD ARG A 7 -1.896 3.525 9.026 1.00 0.00 C ATOM 121 NE ARG A 7 -2.121 4.786 9.787 1.00 0.00 N ATOM 122 CZ ARG A 7 -1.228 5.200 10.644 1.00 0.00 C ATOM 123 NH1 ARG A 7 -1.286 4.810 11.888 1.00 0.00 N ATOM 124 NH2 ARG A 7 -0.275 6.004 10.256 1.00 0.00 N ATOM 0 H ARG A 7 -5.142 4.337 5.033 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.044 5.185 7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.857 2.544 6.452 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.266 3.273 6.541 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.056 3.522 8.964 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.334 1.957 8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.458 2.768 9.677 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.187 3.698 8.216 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.973 5.326 9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.030 4.181 12.191 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.588 5.134 12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.229 6.308 9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.423 6.328 10.925 1.00 0.00 H new ATOM 138 N GLU A 8 -2.157 6.367 6.473 1.00 0.00 N ATOM 139 CA GLU A 8 -1.212 7.211 5.687 1.00 0.00 C ATOM 140 C GLU A 8 0.044 7.473 6.516 1.00 0.00 C ATOM 141 O GLU A 8 -0.025 7.757 7.695 1.00 0.00 O ATOM 142 CB GLU A 8 -1.875 8.543 5.342 1.00 0.00 C ATOM 143 CG GLU A 8 -2.514 9.140 6.598 1.00 0.00 C ATOM 144 CD GLU A 8 -4.032 9.192 6.425 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.498 10.077 5.727 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.702 8.347 6.994 1.00 0.00 O ATOM 0 H GLU A 8 -2.126 6.506 7.483 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.944 6.691 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.136 9.233 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.632 8.395 4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.258 8.538 7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.123 10.142 6.776 1.00 0.00 H new ATOM 153 N GLY A 9 1.190 7.383 5.908 1.00 0.00 N ATOM 154 CA GLY A 9 2.449 7.628 6.652 1.00 0.00 C ATOM 155 C GLY A 9 3.574 7.891 5.656 1.00 0.00 C ATOM 156 O GLY A 9 3.358 8.411 4.578 1.00 0.00 O ATOM 0 H GLY A 9 1.308 7.149 4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.331 8.481 7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.692 6.767 7.275 1.00 0.00 H new ATOM 160 N TYR A 10 4.771 7.534 6.008 1.00 0.00 N ATOM 161 CA TYR A 10 5.921 7.762 5.089 1.00 0.00 C ATOM 162 C TYR A 10 6.875 6.566 5.136 1.00 0.00 C ATOM 163 O TYR A 10 7.714 6.463 6.008 1.00 0.00 O ATOM 164 CB TYR A 10 6.674 9.021 5.522 1.00 0.00 C ATOM 165 CG TYR A 10 6.945 8.960 7.006 1.00 0.00 C ATOM 166 CD1 TYR A 10 5.900 9.155 7.919 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.244 8.712 7.471 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.153 9.100 9.296 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.497 8.657 8.848 1.00 0.00 C ATOM 170 CZ TYR A 10 7.451 8.851 9.760 1.00 0.00 C ATOM 171 OH TYR A 10 7.700 8.798 11.117 1.00 0.00 O ATOM 0 H TYR A 10 5.008 7.092 6.896 1.00 0.00 H new ATOM 0 HA TYR A 10 5.546 7.884 4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.612 9.103 4.973 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.087 9.908 5.285 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.899 9.348 7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.050 8.563 6.768 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.347 9.250 10.000 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.498 8.465 9.206 1.00 0.00 H new ATOM 0 HH TYR A 10 8.651 8.615 11.268 1.00 0.00 H new ATOM 181 N LEU A 11 6.768 5.671 4.192 1.00 0.00 N ATOM 182 CA LEU A 11 7.689 4.497 4.178 1.00 0.00 C ATOM 183 C LEU A 11 8.477 4.511 2.870 1.00 0.00 C ATOM 184 O LEU A 11 8.200 5.293 1.985 1.00 0.00 O ATOM 185 CB LEU A 11 6.899 3.186 4.269 1.00 0.00 C ATOM 186 CG LEU A 11 5.669 3.345 5.169 1.00 0.00 C ATOM 187 CD1 LEU A 11 6.006 4.206 6.388 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.541 3.996 4.369 1.00 0.00 C ATOM 0 H LEU A 11 6.087 5.700 3.433 1.00 0.00 H new ATOM 0 HA LEU A 11 8.360 4.561 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.586 2.876 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.541 2.397 4.661 1.00 0.00 H new ATOM 0 HG LEU A 11 5.352 2.362 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.121 4.309 7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.804 3.732 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.333 5.192 6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.663 4.111 5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.864 4.975 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.290 3.366 3.515 1.00 0.00 H new ATOM 200 N VAL A 12 9.453 3.658 2.730 1.00 0.00 N ATOM 201 CA VAL A 12 10.237 3.651 1.460 1.00 0.00 C ATOM 202 C VAL A 12 9.796 2.475 0.590 1.00 0.00 C ATOM 203 O VAL A 12 9.695 1.353 1.045 1.00 0.00 O ATOM 204 CB VAL A 12 11.731 3.538 1.773 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.958 2.433 2.801 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.499 3.205 0.490 1.00 0.00 C ATOM 0 H VAL A 12 9.741 2.973 3.429 1.00 0.00 H new ATOM 0 HA VAL A 12 10.057 4.581 0.921 1.00 0.00 H new ATOM 0 HB VAL A 12 12.087 4.486 2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.022 2.355 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.414 2.669 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.600 1.485 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.563 3.125 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.140 2.258 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.341 3.995 -0.244 1.00 0.00 H new ATOM 216 N LYS A 13 9.531 2.729 -0.664 1.00 0.00 N ATOM 217 CA LYS A 13 9.091 1.637 -1.576 1.00 0.00 C ATOM 218 C LYS A 13 9.898 1.704 -2.874 1.00 0.00 C ATOM 219 O LYS A 13 10.585 2.670 -3.138 1.00 0.00 O ATOM 220 CB LYS A 13 7.602 1.810 -1.895 1.00 0.00 C ATOM 221 CG LYS A 13 7.089 0.580 -2.648 1.00 0.00 C ATOM 222 CD LYS A 13 5.565 0.654 -2.770 1.00 0.00 C ATOM 223 CE LYS A 13 4.920 -0.171 -1.656 1.00 0.00 C ATOM 224 NZ LYS A 13 3.500 -0.454 -2.007 1.00 0.00 N ATOM 0 H LYS A 13 9.601 3.650 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 13 9.252 0.672 -1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.036 1.946 -0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.451 2.706 -2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.542 0.532 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.378 -0.329 -2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.235 1.691 -2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.249 0.279 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.465 -1.105 -1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.971 0.370 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.876 0.173 -1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.354 -0.288 -3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.278 -1.445 -1.783 1.00 0.00 H new ATOM 238 N LYS A 14 9.817 0.689 -3.689 1.00 0.00 N ATOM 239 CA LYS A 14 10.578 0.699 -4.970 1.00 0.00 C ATOM 240 C LYS A 14 10.065 1.834 -5.859 1.00 0.00 C ATOM 241 O LYS A 14 9.010 1.740 -6.455 1.00 0.00 O ATOM 242 CB LYS A 14 10.384 -0.637 -5.687 1.00 0.00 C ATOM 243 CG LYS A 14 11.681 -1.446 -5.615 1.00 0.00 C ATOM 244 CD LYS A 14 12.535 -1.150 -6.849 1.00 0.00 C ATOM 245 CE LYS A 14 11.753 -1.514 -8.111 1.00 0.00 C ATOM 246 NZ LYS A 14 11.658 -0.321 -9.000 1.00 0.00 N ATOM 0 H LYS A 14 9.257 -0.147 -3.523 1.00 0.00 H new ATOM 0 HA LYS A 14 11.637 0.850 -4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.569 -1.195 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.106 -0.467 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.231 -1.192 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.456 -2.511 -5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.809 -0.095 -6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.463 -1.720 -6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.248 -2.332 -8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.755 -1.863 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.126 -0.569 -9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.168 0.447 -8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.614 -0.008 -9.264 1.00 0.00 H new ATOM 260 N GLY A 15 10.802 2.907 -5.953 1.00 0.00 N ATOM 261 CA GLY A 15 10.355 4.046 -6.804 1.00 0.00 C ATOM 262 C GLY A 15 10.379 3.628 -8.275 1.00 0.00 C ATOM 263 O GLY A 15 9.352 3.402 -8.883 1.00 0.00 O ATOM 0 H GLY A 15 11.694 3.044 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.349 4.353 -6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.006 4.906 -6.649 1.00 0.00 H new ATOM 267 N SER A 16 11.544 3.525 -8.853 1.00 0.00 N ATOM 268 CA SER A 16 11.635 3.123 -10.284 1.00 0.00 C ATOM 269 C SER A 16 13.096 3.181 -10.734 1.00 0.00 C ATOM 270 O SER A 16 14.000 3.157 -9.925 1.00 0.00 O ATOM 271 CB SER A 16 10.800 4.079 -11.137 1.00 0.00 C ATOM 272 OG SER A 16 10.206 3.356 -12.207 1.00 0.00 O ATOM 0 H SER A 16 12.438 3.702 -8.395 1.00 0.00 H new ATOM 0 HA SER A 16 11.256 2.108 -10.403 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.028 4.549 -10.527 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.428 4.879 -11.528 1.00 0.00 H new ATOM 0 HG SER A 16 9.669 3.965 -12.755 1.00 0.00 H new ATOM 278 N VAL A 17 13.329 3.259 -12.019 1.00 0.00 N ATOM 279 CA VAL A 17 14.729 3.320 -12.535 1.00 0.00 C ATOM 280 C VAL A 17 15.624 2.370 -11.735 1.00 0.00 C ATOM 281 O VAL A 17 16.139 2.715 -10.691 1.00 0.00 O ATOM 282 CB VAL A 17 15.263 4.752 -12.419 1.00 0.00 C ATOM 283 CG1 VAL A 17 14.987 5.300 -11.017 1.00 0.00 C ATOM 284 CG2 VAL A 17 16.772 4.751 -12.676 1.00 0.00 C ATOM 0 H VAL A 17 12.605 3.283 -12.737 1.00 0.00 H new ATOM 0 HA VAL A 17 14.734 3.017 -13.582 1.00 0.00 H new ATOM 0 HB VAL A 17 14.763 5.383 -13.154 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.369 6.318 -10.942 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.913 5.301 -10.832 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.482 4.671 -10.277 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.156 5.768 -12.594 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.266 4.117 -11.940 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.970 4.368 -13.677 1.00 0.00 H new ATOM 294 N PHE A 18 15.816 1.174 -12.222 1.00 0.00 N ATOM 295 CA PHE A 18 16.679 0.199 -11.495 1.00 0.00 C ATOM 296 C PHE A 18 16.056 -0.117 -10.132 1.00 0.00 C ATOM 297 O PHE A 18 15.744 0.768 -9.360 1.00 0.00 O ATOM 298 CB PHE A 18 18.074 0.797 -11.295 1.00 0.00 C ATOM 299 CG PHE A 18 18.915 0.529 -12.519 1.00 0.00 C ATOM 300 CD1 PHE A 18 18.323 0.530 -13.790 1.00 0.00 C ATOM 301 CD2 PHE A 18 20.287 0.278 -12.386 1.00 0.00 C ATOM 302 CE1 PHE A 18 19.103 0.283 -14.927 1.00 0.00 C ATOM 303 CE2 PHE A 18 21.068 0.030 -13.524 1.00 0.00 C ATOM 304 CZ PHE A 18 20.475 0.032 -14.794 1.00 0.00 C ATOM 0 H PHE A 18 15.412 0.830 -13.093 1.00 0.00 H new ATOM 0 HA PHE A 18 16.760 -0.718 -12.078 1.00 0.00 H new ATOM 0 HB2 PHE A 18 18.000 1.870 -11.119 1.00 0.00 H new ATOM 0 HB3 PHE A 18 18.545 0.362 -10.414 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.265 0.721 -13.892 1.00 0.00 H new ATOM 0 HD2 PHE A 18 20.743 0.276 -11.407 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.647 0.286 -15.906 1.00 0.00 H new ATOM 0 HE2 PHE A 18 22.126 -0.162 -13.422 1.00 0.00 H new ATOM 0 HZ PHE A 18 21.076 -0.160 -15.671 1.00 0.00 H new ATOM 314 N ASN A 19 15.872 -1.374 -9.833 1.00 0.00 N ATOM 315 CA ASN A 19 15.269 -1.749 -8.522 1.00 0.00 C ATOM 316 C ASN A 19 15.967 -0.978 -7.400 1.00 0.00 C ATOM 317 O ASN A 19 17.017 -1.365 -6.928 1.00 0.00 O ATOM 318 CB ASN A 19 15.443 -3.251 -8.292 1.00 0.00 C ATOM 319 CG ASN A 19 14.198 -3.992 -8.782 1.00 0.00 C ATOM 320 OD1 ASN A 19 13.626 -3.616 -9.893 1.00 0.00 O flip ATOM 321 ND2 ASN A 19 13.741 -4.922 -8.148 1.00 0.00 N flip ATOM 0 H ASN A 19 16.113 -2.158 -10.440 1.00 0.00 H new ATOM 0 HA ASN A 19 14.207 -1.502 -8.527 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.325 -3.611 -8.822 1.00 0.00 H new ATOM 0 HB3 ASN A 19 15.604 -3.451 -7.233 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.188 -5.216 -7.280 1.00 0.00 H new ATOM 0 HD22 ASN A 19 12.910 -5.409 -8.484 1.00 0.00 H new ATOM 328 N THR A 20 15.391 0.111 -6.968 1.00 0.00 N ATOM 329 CA THR A 20 16.025 0.903 -5.876 1.00 0.00 C ATOM 330 C THR A 20 15.070 0.989 -4.684 1.00 0.00 C ATOM 331 O THR A 20 13.998 0.417 -4.691 1.00 0.00 O ATOM 332 CB THR A 20 16.337 2.312 -6.381 1.00 0.00 C ATOM 333 OG1 THR A 20 15.339 2.712 -7.312 1.00 0.00 O ATOM 334 CG2 THR A 20 17.707 2.318 -7.062 1.00 0.00 C ATOM 0 H THR A 20 14.511 0.486 -7.323 1.00 0.00 H new ATOM 0 HA THR A 20 16.949 0.415 -5.566 1.00 0.00 H new ATOM 0 HB THR A 20 16.348 3.007 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.453 2.214 -8.148 1.00 0.00 H new ATOM 0 HG21 THR A 20 17.930 3.322 -7.422 1.00 0.00 H new ATOM 0 HG22 THR A 20 18.470 2.011 -6.347 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.698 1.625 -7.903 1.00 0.00 H new ATOM 342 N TRP A 21 15.452 1.700 -3.658 1.00 0.00 N ATOM 343 CA TRP A 21 14.571 1.820 -2.463 1.00 0.00 C ATOM 344 C TRP A 21 14.677 3.236 -1.891 1.00 0.00 C ATOM 345 O TRP A 21 15.667 3.597 -1.287 1.00 0.00 O ATOM 346 CB TRP A 21 15.013 0.809 -1.405 1.00 0.00 C ATOM 347 CG TRP A 21 14.112 -0.383 -1.450 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.002 -1.237 -2.495 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.198 -0.867 -0.426 1.00 0.00 C ATOM 350 NE1 TRP A 21 13.077 -2.214 -2.177 1.00 0.00 N ATOM 351 CE2 TRP A 21 12.553 -2.029 -0.913 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.868 -0.413 0.864 1.00 0.00 C ATOM 353 CZ2 TRP A 21 11.613 -2.717 -0.143 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.923 -1.104 1.641 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.297 -2.253 1.138 1.00 0.00 C ATOM 0 H TRP A 21 16.337 2.203 -3.596 1.00 0.00 H new ATOM 0 HA TRP A 21 13.538 1.621 -2.749 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.045 0.506 -1.584 1.00 0.00 H new ATOM 0 HB3 TRP A 21 14.982 1.265 -0.415 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.547 -1.166 -3.424 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.814 -2.978 -2.800 1.00 0.00 H new ATOM 0 HE3 TRP A 21 13.344 0.472 1.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.133 -3.602 -0.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.678 -0.748 2.631 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.571 -2.780 1.739 1.00 0.00 H new ATOM 366 N LYS A 22 13.666 4.040 -2.077 1.00 0.00 N ATOM 367 CA LYS A 22 13.715 5.431 -1.542 1.00 0.00 C ATOM 368 C LYS A 22 12.427 5.727 -0.759 1.00 0.00 C ATOM 369 O LYS A 22 11.354 5.324 -1.165 1.00 0.00 O ATOM 370 CB LYS A 22 13.841 6.418 -2.704 1.00 0.00 C ATOM 371 CG LYS A 22 15.094 6.093 -3.518 1.00 0.00 C ATOM 372 CD LYS A 22 16.090 7.249 -3.405 1.00 0.00 C ATOM 373 CE LYS A 22 17.516 6.696 -3.380 1.00 0.00 C ATOM 374 NZ LYS A 22 17.908 6.271 -4.754 1.00 0.00 N ATOM 0 H LYS A 22 12.810 3.795 -2.575 1.00 0.00 H new ATOM 0 HA LYS A 22 14.574 5.534 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.957 6.362 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.896 7.438 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.548 5.171 -3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.829 5.928 -4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.968 7.931 -4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.896 7.823 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.206 7.456 -3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.578 5.851 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.877 5.895 -4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.256 5.533 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.864 7.088 -5.396 1.00 0.00 H new ATOM 388 N PRO A 23 12.569 6.430 0.341 1.00 0.00 N ATOM 389 CA PRO A 23 11.432 6.789 1.176 1.00 0.00 C ATOM 390 C PRO A 23 10.352 7.472 0.329 1.00 0.00 C ATOM 391 O PRO A 23 10.604 7.910 -0.775 1.00 0.00 O ATOM 392 CB PRO A 23 12.001 7.759 2.205 1.00 0.00 C ATOM 393 CG PRO A 23 13.516 7.393 2.256 1.00 0.00 C ATOM 394 CD PRO A 23 13.876 6.904 0.825 1.00 0.00 C ATOM 0 HA PRO A 23 10.965 5.922 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.849 8.796 1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.526 7.635 3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.119 8.256 2.538 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.707 6.615 2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.277 7.707 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.622 6.109 0.838 1.00 0.00 H new ATOM 402 N MET A 24 9.154 7.566 0.838 1.00 0.00 N ATOM 403 CA MET A 24 8.067 8.219 0.063 1.00 0.00 C ATOM 404 C MET A 24 6.792 8.270 0.903 1.00 0.00 C ATOM 405 O MET A 24 6.621 7.517 1.844 1.00 0.00 O ATOM 406 CB MET A 24 7.792 7.416 -1.207 1.00 0.00 C ATOM 407 CG MET A 24 7.120 6.094 -0.843 1.00 0.00 C ATOM 408 SD MET A 24 7.245 4.950 -2.241 1.00 0.00 S ATOM 409 CE MET A 24 5.865 5.618 -3.203 1.00 0.00 C ATOM 0 H MET A 24 8.883 7.218 1.758 1.00 0.00 H new ATOM 0 HA MET A 24 8.375 9.232 -0.198 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.152 7.988 -1.879 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.725 7.227 -1.739 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.595 5.662 0.038 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.073 6.263 -0.590 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.887 5.200 -4.210 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.924 5.353 -2.721 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.952 6.703 -3.258 1.00 0.00 H new ATOM 419 N TRP A 25 5.889 9.143 0.558 1.00 0.00 N ATOM 420 CA TRP A 25 4.618 9.238 1.320 1.00 0.00 C ATOM 421 C TRP A 25 3.599 8.308 0.690 1.00 0.00 C ATOM 422 O TRP A 25 3.583 8.108 -0.508 1.00 0.00 O ATOM 423 CB TRP A 25 4.092 10.670 1.269 1.00 0.00 C ATOM 424 CG TRP A 25 2.882 10.791 2.137 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.602 10.814 1.695 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.817 10.902 3.586 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.757 10.947 2.784 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.459 11.003 3.972 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.798 10.928 4.591 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.090 11.128 5.314 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.433 11.050 5.942 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.081 11.151 6.302 1.00 0.00 C ATOM 0 H TRP A 25 5.978 9.796 -0.221 1.00 0.00 H new ATOM 0 HA TRP A 25 4.791 8.956 2.359 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.863 11.363 1.604 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.844 10.941 0.243 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.291 10.741 0.663 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.260 10.997 2.717 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.842 10.854 4.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.048 11.206 5.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.196 11.066 6.706 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.805 11.247 7.342 1.00 0.00 H new ATOM 443 N VAL A 26 2.759 7.719 1.482 1.00 0.00 N ATOM 444 CA VAL A 26 1.762 6.788 0.905 1.00 0.00 C ATOM 445 C VAL A 26 0.492 6.776 1.757 1.00 0.00 C ATOM 446 O VAL A 26 0.539 6.741 2.970 1.00 0.00 O ATOM 447 CB VAL A 26 2.396 5.398 0.841 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.243 5.172 2.088 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.312 4.319 0.743 1.00 0.00 C ATOM 0 H VAL A 26 2.718 7.839 2.494 1.00 0.00 H new ATOM 0 HA VAL A 26 1.477 7.107 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 26 3.027 5.335 -0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.696 4.182 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.027 5.928 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.612 5.244 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.780 3.336 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.665 4.373 1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.719 4.480 -0.157 1.00 0.00 H new ATOM 459 N VAL A 27 -0.648 6.806 1.118 1.00 0.00 N ATOM 460 CA VAL A 27 -1.933 6.796 1.866 1.00 0.00 C ATOM 461 C VAL A 27 -2.818 5.673 1.327 1.00 0.00 C ATOM 462 O VAL A 27 -3.432 5.797 0.285 1.00 0.00 O ATOM 463 CB VAL A 27 -2.647 8.135 1.679 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.958 9.207 2.524 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.588 8.538 0.206 1.00 0.00 C ATOM 0 H VAL A 27 -0.741 6.837 0.103 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.736 6.636 2.926 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.686 8.038 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.469 10.161 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.995 8.921 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.919 9.305 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.096 9.492 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.547 8.633 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.078 7.776 -0.400 1.00 0.00 H new ATOM 475 N LEU A 28 -2.886 4.576 2.026 1.00 0.00 N ATOM 476 CA LEU A 28 -3.730 3.447 1.555 1.00 0.00 C ATOM 477 C LEU A 28 -5.203 3.789 1.778 1.00 0.00 C ATOM 478 O LEU A 28 -5.636 4.015 2.891 1.00 0.00 O ATOM 479 CB LEU A 28 -3.370 2.187 2.338 1.00 0.00 C ATOM 480 CG LEU A 28 -3.591 2.431 3.833 1.00 0.00 C ATOM 481 CD1 LEU A 28 -4.746 1.559 4.327 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.317 2.068 4.595 1.00 0.00 C ATOM 0 H LEU A 28 -2.393 4.413 2.904 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.556 3.275 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.982 1.350 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.330 1.916 2.153 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.833 3.480 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.903 1.733 5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.654 1.813 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.505 0.509 4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.469 2.240 5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.079 1.018 4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.493 2.687 4.241 1.00 0.00 H new ATOM 494 N LEU A 29 -5.977 3.831 0.728 1.00 0.00 N ATOM 495 CA LEU A 29 -7.421 4.163 0.879 1.00 0.00 C ATOM 496 C LEU A 29 -8.263 2.910 0.623 1.00 0.00 C ATOM 497 O LEU A 29 -7.783 1.923 0.100 1.00 0.00 O ATOM 498 CB LEU A 29 -7.797 5.256 -0.125 1.00 0.00 C ATOM 499 CG LEU A 29 -6.890 6.472 0.081 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.748 6.439 -0.936 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.705 7.754 -0.113 1.00 0.00 C ATOM 0 H LEU A 29 -5.671 3.650 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.612 4.521 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.694 4.881 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.841 5.541 0.006 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.478 6.449 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.104 7.305 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.167 5.527 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.159 6.461 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.060 8.621 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.117 7.774 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.519 7.781 0.611 1.00 0.00 H new ATOM 513 N GLU A 30 -9.515 2.939 0.992 1.00 0.00 N ATOM 514 CA GLU A 30 -10.387 1.749 0.777 1.00 0.00 C ATOM 515 C GLU A 30 -10.725 1.625 -0.708 1.00 0.00 C ATOM 516 O GLU A 30 -11.196 0.602 -1.163 1.00 0.00 O ATOM 517 CB GLU A 30 -11.678 1.911 1.582 1.00 0.00 C ATOM 518 CG GLU A 30 -11.943 0.639 2.389 1.00 0.00 C ATOM 519 CD GLU A 30 -13.310 0.737 3.066 1.00 0.00 C ATOM 520 OE1 GLU A 30 -14.268 1.052 2.380 1.00 0.00 O ATOM 521 OE2 GLU A 30 -13.377 0.497 4.261 1.00 0.00 O ATOM 0 H GLU A 30 -9.972 3.737 1.434 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.863 0.851 1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.596 2.768 2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.514 2.109 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.912 -0.232 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.164 0.503 3.139 1.00 0.00 H new ATOM 528 N ASP A 31 -10.486 2.656 -1.467 1.00 0.00 N ATOM 529 CA ASP A 31 -10.791 2.591 -2.922 1.00 0.00 C ATOM 530 C ASP A 31 -9.487 2.454 -3.708 1.00 0.00 C ATOM 531 O ASP A 31 -9.475 2.487 -4.922 1.00 0.00 O ATOM 532 CB ASP A 31 -11.514 3.871 -3.350 1.00 0.00 C ATOM 533 CG ASP A 31 -10.527 5.042 -3.346 1.00 0.00 C ATOM 534 OD1 ASP A 31 -10.227 5.534 -2.270 1.00 0.00 O ATOM 535 OD2 ASP A 31 -10.089 5.425 -4.417 1.00 0.00 O ATOM 0 H ASP A 31 -10.093 3.540 -1.143 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.429 1.730 -3.123 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.941 3.745 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.342 4.077 -2.672 1.00 0.00 H new ATOM 540 N GLY A 32 -8.386 2.299 -3.023 1.00 0.00 N ATOM 541 CA GLY A 32 -7.083 2.158 -3.731 1.00 0.00 C ATOM 542 C GLY A 32 -5.991 2.863 -2.929 1.00 0.00 C ATOM 543 O GLY A 32 -6.218 3.890 -2.320 1.00 0.00 O ATOM 0 H GLY A 32 -8.333 2.264 -2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.836 1.104 -3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.151 2.588 -4.730 1.00 0.00 H new ATOM 547 N ILE A 33 -4.806 2.318 -2.920 1.00 0.00 N ATOM 548 CA ILE A 33 -3.702 2.957 -2.153 1.00 0.00 C ATOM 549 C ILE A 33 -2.947 3.928 -3.061 1.00 0.00 C ATOM 550 O ILE A 33 -2.215 3.527 -3.945 1.00 0.00 O ATOM 551 CB ILE A 33 -2.744 1.876 -1.651 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.525 0.856 -0.818 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.659 2.517 -0.784 1.00 0.00 C ATOM 554 CD1 ILE A 33 -3.760 -0.408 -1.647 1.00 0.00 C ATOM 0 H ILE A 33 -4.555 1.459 -3.410 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.114 3.502 -1.304 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.280 1.376 -2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.972 0.611 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.479 1.281 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.976 1.746 -0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.105 3.247 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.121 3.016 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.316 -1.134 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.331 -0.156 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.801 -0.836 -1.938 1.00 0.00 H new ATOM 566 N GLU A 34 -3.114 5.204 -2.848 1.00 0.00 N ATOM 567 CA GLU A 34 -2.401 6.200 -3.694 1.00 0.00 C ATOM 568 C GLU A 34 -1.255 6.802 -2.884 1.00 0.00 C ATOM 569 O GLU A 34 -1.468 7.436 -1.870 1.00 0.00 O ATOM 570 CB GLU A 34 -3.373 7.305 -4.119 1.00 0.00 C ATOM 571 CG GLU A 34 -3.809 8.107 -2.892 1.00 0.00 C ATOM 572 CD GLU A 34 -5.200 8.696 -3.136 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.806 8.339 -4.134 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.636 9.493 -2.323 1.00 0.00 O ATOM 0 H GLU A 34 -3.714 5.600 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.006 5.715 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.896 7.963 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.244 6.869 -4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.823 7.465 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.094 8.905 -2.693 1.00 0.00 H new ATOM 581 N PHE A 35 -0.040 6.596 -3.309 1.00 0.00 N ATOM 582 CA PHE A 35 1.108 7.145 -2.541 1.00 0.00 C ATOM 583 C PHE A 35 1.920 8.104 -3.413 1.00 0.00 C ATOM 584 O PHE A 35 2.030 7.933 -4.610 1.00 0.00 O ATOM 585 CB PHE A 35 1.999 5.990 -2.075 1.00 0.00 C ATOM 586 CG PHE A 35 2.266 5.050 -3.227 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.114 5.446 -4.270 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.671 3.782 -3.251 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.365 4.574 -5.338 1.00 0.00 C ATOM 590 CE2 PHE A 35 1.922 2.910 -4.318 1.00 0.00 C ATOM 591 CZ PHE A 35 2.770 3.306 -5.361 1.00 0.00 C ATOM 0 H PHE A 35 0.206 6.074 -4.150 1.00 0.00 H new ATOM 0 HA PHE A 35 0.732 7.693 -1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.940 6.379 -1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.515 5.452 -1.260 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.574 6.423 -4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.018 3.477 -2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.017 4.879 -6.143 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.462 1.933 -4.337 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.965 2.633 -6.183 1.00 0.00 H new ATOM 601 N TYR A 36 2.498 9.109 -2.811 1.00 0.00 N ATOM 602 CA TYR A 36 3.318 10.083 -3.584 1.00 0.00 C ATOM 603 C TYR A 36 4.675 10.228 -2.896 1.00 0.00 C ATOM 604 O TYR A 36 5.143 9.328 -2.228 1.00 0.00 O ATOM 605 CB TYR A 36 2.636 11.460 -3.616 1.00 0.00 C ATOM 606 CG TYR A 36 1.139 11.327 -3.438 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.607 10.874 -2.222 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.282 11.677 -4.489 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.781 10.767 -2.061 1.00 0.00 C ATOM 610 CE2 TYR A 36 -1.106 11.570 -4.327 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.636 11.116 -3.114 1.00 0.00 C ATOM 612 OH TYR A 36 -3.004 11.010 -2.956 1.00 0.00 O ATOM 0 H TYR A 36 2.436 9.297 -1.810 1.00 0.00 H new ATOM 0 HA TYR A 36 3.433 9.720 -4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.045 12.091 -2.827 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.851 11.954 -4.563 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.267 10.608 -1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.691 12.029 -5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.191 10.416 -1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.767 11.838 -5.138 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.451 11.292 -3.781 1.00 0.00 H new ATOM 622 N LYS A 37 5.302 11.363 -3.037 1.00 0.00 N ATOM 623 CA LYS A 37 6.618 11.572 -2.372 1.00 0.00 C ATOM 624 C LYS A 37 6.380 12.274 -1.035 1.00 0.00 C ATOM 625 O LYS A 37 6.985 11.952 -0.031 1.00 0.00 O ATOM 626 CB LYS A 37 7.509 12.445 -3.258 1.00 0.00 C ATOM 627 CG LYS A 37 8.904 11.823 -3.349 1.00 0.00 C ATOM 628 CD LYS A 37 9.931 12.916 -3.653 1.00 0.00 C ATOM 629 CE LYS A 37 10.685 12.565 -4.937 1.00 0.00 C ATOM 630 NZ LYS A 37 12.141 12.818 -4.741 1.00 0.00 N ATOM 0 H LYS A 37 4.960 12.154 -3.583 1.00 0.00 H new ATOM 0 HA LYS A 37 7.111 10.613 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.074 12.535 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.574 13.452 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.154 11.325 -2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.925 11.062 -4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.432 13.878 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.631 13.013 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.518 11.519 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.309 13.163 -5.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.655 12.580 -5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.291 13.822 -4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.494 12.229 -3.960 1.00 0.00 H new ATOM 644 N LYS A 38 5.486 13.226 -1.017 1.00 0.00 N ATOM 645 CA LYS A 38 5.182 13.951 0.247 1.00 0.00 C ATOM 646 C LYS A 38 3.754 13.607 0.676 1.00 0.00 C ATOM 647 O LYS A 38 3.082 12.828 0.032 1.00 0.00 O ATOM 648 CB LYS A 38 5.300 15.459 0.016 1.00 0.00 C ATOM 649 CG LYS A 38 6.772 15.833 -0.164 1.00 0.00 C ATOM 650 CD LYS A 38 7.158 16.898 0.865 1.00 0.00 C ATOM 651 CE LYS A 38 7.451 16.229 2.209 1.00 0.00 C ATOM 652 NZ LYS A 38 8.762 15.524 2.141 1.00 0.00 N ATOM 0 H LYS A 38 4.951 13.533 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 38 5.886 13.655 1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.730 15.748 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.876 16.002 0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.400 14.950 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.942 16.209 -1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.034 17.449 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.350 17.621 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.469 16.976 3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.659 15.522 2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.137 15.396 3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.633 14.595 1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.431 16.089 1.581 1.00 0.00 H new ATOM 666 N LYS A 39 3.281 14.175 1.753 1.00 0.00 N ATOM 667 CA LYS A 39 1.895 13.861 2.205 1.00 0.00 C ATOM 668 C LYS A 39 0.952 13.842 0.994 1.00 0.00 C ATOM 669 O LYS A 39 -0.067 13.179 1.003 1.00 0.00 O ATOM 670 CB LYS A 39 1.430 14.904 3.229 1.00 0.00 C ATOM 671 CG LYS A 39 -0.103 14.899 3.324 1.00 0.00 C ATOM 672 CD LYS A 39 -0.535 15.309 4.732 1.00 0.00 C ATOM 673 CE LYS A 39 0.253 14.496 5.754 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.652 14.057 6.854 1.00 0.00 N ATOM 0 H LYS A 39 3.791 14.839 2.336 1.00 0.00 H new ATOM 0 HA LYS A 39 1.882 12.880 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.864 14.686 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.781 15.894 2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.524 15.586 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.488 13.906 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.360 16.374 4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.604 15.140 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.704 13.628 5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.069 15.095 6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.111 13.503 7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.062 14.891 7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.415 13.470 6.462 1.00 0.00 H new ATOM 688 N SER A 40 1.283 14.555 -0.048 1.00 0.00 N ATOM 689 CA SER A 40 0.405 14.562 -1.253 1.00 0.00 C ATOM 690 C SER A 40 1.261 14.716 -2.511 1.00 0.00 C ATOM 691 O SER A 40 1.126 13.968 -3.459 1.00 0.00 O ATOM 692 CB SER A 40 -0.579 15.728 -1.168 1.00 0.00 C ATOM 693 OG SER A 40 -0.874 15.998 0.197 1.00 0.00 O ATOM 0 H SER A 40 2.121 15.132 -0.117 1.00 0.00 H new ATOM 0 HA SER A 40 -0.147 13.623 -1.298 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.153 16.613 -1.642 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.494 15.486 -1.708 1.00 0.00 H new ATOM 0 HG SER A 40 -1.504 16.747 0.254 1.00 0.00 H new ATOM 699 N ASP A 41 2.132 15.692 -2.532 1.00 0.00 N ATOM 700 CA ASP A 41 2.992 15.909 -3.728 1.00 0.00 C ATOM 701 C ASP A 41 2.114 16.256 -4.933 1.00 0.00 C ATOM 702 O ASP A 41 2.578 16.335 -6.053 1.00 0.00 O ATOM 703 CB ASP A 41 3.796 14.635 -3.996 1.00 0.00 C ATOM 704 CG ASP A 41 4.374 14.662 -5.413 1.00 0.00 C ATOM 705 OD1 ASP A 41 4.869 15.704 -5.810 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.311 13.640 -6.077 1.00 0.00 O ATOM 0 H ASP A 41 2.283 16.350 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 41 3.680 16.736 -3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.603 14.546 -3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.157 13.761 -3.873 1.00 0.00 H new ATOM 711 N ASN A 42 0.845 16.472 -4.710 1.00 0.00 N ATOM 712 CA ASN A 42 -0.068 16.815 -5.833 1.00 0.00 C ATOM 713 C ASN A 42 0.260 15.954 -7.058 1.00 0.00 C ATOM 714 O ASN A 42 -0.033 16.323 -8.177 1.00 0.00 O ATOM 715 CB ASN A 42 0.100 18.294 -6.191 1.00 0.00 C ATOM 716 CG ASN A 42 -0.473 19.159 -5.067 1.00 0.00 C ATOM 717 OD1 ASN A 42 -0.103 19.008 -3.920 1.00 0.00 O ATOM 718 ND2 ASN A 42 -1.367 20.066 -5.350 1.00 0.00 N ATOM 0 H ASN A 42 0.402 16.425 -3.793 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.097 16.624 -5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.155 18.525 -6.341 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.411 18.512 -7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.755 20.648 -4.608 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.678 20.193 -6.313 1.00 0.00 H new ATOM 725 N SER A 43 0.867 14.810 -6.864 1.00 0.00 N ATOM 726 CA SER A 43 1.201 13.949 -8.036 1.00 0.00 C ATOM 727 C SER A 43 1.591 12.540 -7.567 1.00 0.00 C ATOM 728 O SER A 43 2.725 12.304 -7.203 1.00 0.00 O ATOM 729 CB SER A 43 2.373 14.570 -8.798 1.00 0.00 C ATOM 730 OG SER A 43 2.377 14.079 -10.132 1.00 0.00 O ATOM 0 H SER A 43 1.143 14.439 -5.955 1.00 0.00 H new ATOM 0 HA SER A 43 0.329 13.877 -8.685 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.287 15.657 -8.798 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.314 14.325 -8.305 1.00 0.00 H new ATOM 0 HG SER A 43 3.126 14.476 -10.624 1.00 0.00 H new ATOM 736 N PRO A 44 0.633 11.642 -7.597 1.00 0.00 N ATOM 737 CA PRO A 44 0.855 10.260 -7.190 1.00 0.00 C ATOM 738 C PRO A 44 2.041 9.659 -7.941 1.00 0.00 C ATOM 739 O PRO A 44 2.146 9.758 -9.147 1.00 0.00 O ATOM 740 CB PRO A 44 -0.430 9.533 -7.572 1.00 0.00 C ATOM 741 CG PRO A 44 -1.501 10.665 -7.617 1.00 0.00 C ATOM 742 CD PRO A 44 -0.737 11.954 -8.034 1.00 0.00 C ATOM 0 HA PRO A 44 1.082 10.179 -6.127 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.335 9.034 -8.536 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.688 8.767 -6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.290 10.429 -8.332 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.979 10.790 -6.645 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.793 12.134 -9.108 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.132 12.842 -7.541 1.00 0.00 H new ATOM 750 N LYS A 45 2.922 9.020 -7.231 1.00 0.00 N ATOM 751 CA LYS A 45 4.095 8.389 -7.884 1.00 0.00 C ATOM 752 C LYS A 45 3.712 6.954 -8.269 1.00 0.00 C ATOM 753 O LYS A 45 4.305 6.353 -9.142 1.00 0.00 O ATOM 754 CB LYS A 45 5.279 8.414 -6.897 1.00 0.00 C ATOM 755 CG LYS A 45 6.062 7.099 -6.938 1.00 0.00 C ATOM 756 CD LYS A 45 7.532 7.372 -6.620 1.00 0.00 C ATOM 757 CE LYS A 45 7.685 7.678 -5.129 1.00 0.00 C ATOM 758 NZ LYS A 45 9.109 8.000 -4.832 1.00 0.00 N ATOM 0 H LYS A 45 2.879 8.907 -6.218 1.00 0.00 H new ATOM 0 HA LYS A 45 4.391 8.926 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.943 9.243 -7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.910 8.589 -5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.648 6.394 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.971 6.639 -7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.139 6.508 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.893 8.212 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.046 8.516 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.363 6.822 -4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.214 8.208 -3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.708 7.188 -5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.401 8.829 -5.388 1.00 0.00 H new ATOM 772 N GLY A 46 2.719 6.406 -7.621 1.00 0.00 N ATOM 773 CA GLY A 46 2.290 5.016 -7.944 1.00 0.00 C ATOM 774 C GLY A 46 1.051 4.662 -7.121 1.00 0.00 C ATOM 775 O GLY A 46 0.900 5.093 -5.993 1.00 0.00 O ATOM 0 H GLY A 46 2.186 6.863 -6.881 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.070 4.930 -9.008 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.096 4.315 -7.727 1.00 0.00 H new ATOM 779 N MET A 47 0.162 3.882 -7.671 1.00 0.00 N ATOM 780 CA MET A 47 -1.064 3.503 -6.915 1.00 0.00 C ATOM 781 C MET A 47 -1.172 1.981 -6.849 1.00 0.00 C ATOM 782 O MET A 47 -0.501 1.266 -7.565 1.00 0.00 O ATOM 783 CB MET A 47 -2.299 4.069 -7.619 1.00 0.00 C ATOM 784 CG MET A 47 -2.077 5.551 -7.925 1.00 0.00 C ATOM 785 SD MET A 47 -3.439 6.166 -8.946 1.00 0.00 S ATOM 786 CE MET A 47 -2.644 5.920 -10.552 1.00 0.00 C ATOM 0 H MET A 47 0.232 3.491 -8.611 1.00 0.00 H new ATOM 0 HA MET A 47 -1.004 3.909 -5.905 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.488 3.521 -8.542 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.179 3.945 -6.988 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.018 6.120 -6.997 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.128 5.688 -8.444 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.320 6.240 -11.345 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.727 6.507 -10.598 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.406 4.864 -10.682 1.00 0.00 H new ATOM 796 N ILE A 48 -2.018 1.479 -5.994 1.00 0.00 N ATOM 797 CA ILE A 48 -2.180 0.005 -5.879 1.00 0.00 C ATOM 798 C ILE A 48 -3.676 -0.332 -5.874 1.00 0.00 C ATOM 799 O ILE A 48 -4.394 0.088 -4.988 1.00 0.00 O ATOM 800 CB ILE A 48 -1.544 -0.472 -4.571 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.303 0.373 -4.272 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.139 -1.941 -4.706 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.433 -0.206 -3.062 1.00 0.00 C ATOM 0 H ILE A 48 -2.606 2.029 -5.368 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.694 -0.490 -6.720 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.262 -0.367 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.357 0.387 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.592 1.405 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.686 -2.281 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.022 -2.543 -4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.420 -2.047 -5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.316 0.397 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.228 -0.197 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.736 -1.231 -3.277 1.00 0.00 H new ATOM 815 N PRO A 49 -4.111 -1.074 -6.865 1.00 0.00 N ATOM 816 CA PRO A 49 -5.510 -1.455 -6.977 1.00 0.00 C ATOM 817 C PRO A 49 -5.860 -2.478 -5.894 1.00 0.00 C ATOM 818 O PRO A 49 -5.221 -3.503 -5.767 1.00 0.00 O ATOM 819 CB PRO A 49 -5.626 -2.081 -8.363 1.00 0.00 C ATOM 820 CG PRO A 49 -4.180 -2.588 -8.649 1.00 0.00 C ATOM 821 CD PRO A 49 -3.237 -1.582 -7.933 1.00 0.00 C ATOM 0 HA PRO A 49 -6.189 -0.612 -6.849 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.349 -2.897 -8.377 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.952 -1.354 -9.107 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.036 -3.599 -8.268 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.980 -2.619 -9.720 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.344 -2.066 -7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.900 -0.789 -8.600 1.00 0.00 H new ATOM 829 N LEU A 50 -6.863 -2.208 -5.106 1.00 0.00 N ATOM 830 CA LEU A 50 -7.236 -3.171 -4.033 1.00 0.00 C ATOM 831 C LEU A 50 -8.263 -4.164 -4.579 1.00 0.00 C ATOM 832 O LEU A 50 -9.197 -4.543 -3.900 1.00 0.00 O ATOM 833 CB LEU A 50 -7.836 -2.434 -2.824 1.00 0.00 C ATOM 834 CG LEU A 50 -7.603 -0.924 -2.938 1.00 0.00 C ATOM 835 CD1 LEU A 50 -8.817 -0.272 -3.602 1.00 0.00 C ATOM 836 CD2 LEU A 50 -7.415 -0.336 -1.538 1.00 0.00 C ATOM 0 H LEU A 50 -7.438 -1.367 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.338 -3.698 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.905 -2.638 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.386 -2.808 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.713 -0.735 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.653 0.803 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.958 -0.695 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.706 -0.459 -2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.249 0.739 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.308 -0.524 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.554 -0.803 -1.060 1.00 0.00 H new ATOM 848 N LYS A 51 -8.094 -4.594 -5.798 1.00 0.00 N ATOM 849 CA LYS A 51 -9.057 -5.567 -6.385 1.00 0.00 C ATOM 850 C LYS A 51 -8.581 -6.989 -6.080 1.00 0.00 C ATOM 851 O LYS A 51 -9.357 -7.851 -5.719 1.00 0.00 O ATOM 852 CB LYS A 51 -9.130 -5.363 -7.900 1.00 0.00 C ATOM 853 CG LYS A 51 -9.851 -6.550 -8.542 1.00 0.00 C ATOM 854 CD LYS A 51 -10.984 -6.041 -9.435 1.00 0.00 C ATOM 855 CE LYS A 51 -11.370 -7.129 -10.437 1.00 0.00 C ATOM 856 NZ LYS A 51 -11.946 -6.499 -11.659 1.00 0.00 N ATOM 0 H LYS A 51 -7.330 -4.314 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.046 -5.412 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.658 -4.437 -8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.126 -5.267 -8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.148 -7.140 -9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.251 -7.207 -7.769 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.847 -5.769 -8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.669 -5.141 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.495 -7.723 -10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.095 -7.809 -9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.208 -7.239 -12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.791 -5.950 -11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.241 -5.867 -12.089 1.00 0.00 H new ATOM 870 N GLY A 52 -7.308 -7.239 -6.221 1.00 0.00 N ATOM 871 CA GLY A 52 -6.779 -8.602 -5.937 1.00 0.00 C ATOM 872 C GLY A 52 -5.273 -8.520 -5.674 1.00 0.00 C ATOM 873 O GLY A 52 -4.506 -9.336 -6.147 1.00 0.00 O ATOM 0 H GLY A 52 -6.611 -6.557 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.287 -9.028 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.976 -9.263 -6.781 1.00 0.00 H new ATOM 877 N SER A 53 -4.843 -7.542 -4.924 1.00 0.00 N ATOM 878 CA SER A 53 -3.386 -7.413 -4.635 1.00 0.00 C ATOM 879 C SER A 53 -2.941 -8.559 -3.731 1.00 0.00 C ATOM 880 O SER A 53 -3.726 -9.405 -3.353 1.00 0.00 O ATOM 881 CB SER A 53 -3.112 -6.075 -3.944 1.00 0.00 C ATOM 882 OG SER A 53 -4.030 -5.101 -4.424 1.00 0.00 O ATOM 0 H SER A 53 -5.436 -6.828 -4.500 1.00 0.00 H new ATOM 0 HA SER A 53 -2.828 -7.453 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.211 -6.184 -2.864 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.089 -5.754 -4.140 1.00 0.00 H new ATOM 0 HG SER A 53 -3.719 -4.755 -5.287 1.00 0.00 H new ATOM 888 N THR A 54 -1.681 -8.606 -3.396 1.00 0.00 N ATOM 889 CA THR A 54 -1.187 -9.708 -2.539 1.00 0.00 C ATOM 890 C THR A 54 -0.102 -9.179 -1.597 1.00 0.00 C ATOM 891 O THR A 54 0.995 -8.863 -2.014 1.00 0.00 O ATOM 892 CB THR A 54 -0.614 -10.791 -3.446 1.00 0.00 C ATOM 893 OG1 THR A 54 -0.742 -10.380 -4.801 1.00 0.00 O ATOM 894 CG2 THR A 54 -1.388 -12.089 -3.239 1.00 0.00 C ATOM 0 H THR A 54 -0.976 -7.926 -3.681 1.00 0.00 H new ATOM 0 HA THR A 54 -1.998 -10.117 -1.936 1.00 0.00 H new ATOM 0 HB THR A 54 0.437 -10.951 -3.206 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.530 -9.426 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.979 -12.864 -3.887 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.301 -12.403 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.438 -11.929 -3.483 1.00 0.00 H new ATOM 902 N LEU A 55 -0.403 -9.072 -0.330 1.00 0.00 N ATOM 903 CA LEU A 55 0.607 -8.555 0.640 1.00 0.00 C ATOM 904 C LEU A 55 1.432 -9.717 1.198 1.00 0.00 C ATOM 905 O LEU A 55 0.922 -10.588 1.874 1.00 0.00 O ATOM 906 CB LEU A 55 -0.116 -7.833 1.786 1.00 0.00 C ATOM 907 CG LEU A 55 0.858 -7.530 2.936 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.022 -8.773 3.810 1.00 0.00 C ATOM 909 CD2 LEU A 55 2.222 -7.118 2.377 1.00 0.00 C ATOM 0 H LEU A 55 -1.305 -9.320 0.076 1.00 0.00 H new ATOM 0 HA LEU A 55 1.275 -7.858 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.554 -6.905 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.937 -8.450 2.151 1.00 0.00 H new ATOM 0 HG LEU A 55 0.455 -6.712 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.713 -8.556 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.054 -9.059 4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.416 -9.592 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.904 -6.906 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.627 -7.928 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.108 -6.226 1.761 1.00 0.00 H new ATOM 921 N THR A 56 2.708 -9.735 0.919 1.00 0.00 N ATOM 922 CA THR A 56 3.574 -10.836 1.430 1.00 0.00 C ATOM 923 C THR A 56 4.520 -10.278 2.496 1.00 0.00 C ATOM 924 O THR A 56 5.312 -9.397 2.234 1.00 0.00 O ATOM 925 CB THR A 56 4.389 -11.418 0.268 1.00 0.00 C ATOM 926 OG1 THR A 56 3.558 -12.264 -0.514 1.00 0.00 O ATOM 927 CG2 THR A 56 5.571 -12.227 0.813 1.00 0.00 C ATOM 0 H THR A 56 3.189 -9.032 0.357 1.00 0.00 H new ATOM 0 HA THR A 56 2.957 -11.621 1.868 1.00 0.00 H new ATOM 0 HB THR A 56 4.767 -10.603 -0.349 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.101 -12.972 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.145 -12.637 -0.018 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.211 -11.578 1.411 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.199 -13.042 1.434 1.00 0.00 H new ATOM 935 N SER A 57 4.447 -10.784 3.697 1.00 0.00 N ATOM 936 CA SER A 57 5.346 -10.274 4.771 1.00 0.00 C ATOM 937 C SER A 57 5.756 -11.430 5.693 1.00 0.00 C ATOM 938 O SER A 57 4.913 -12.104 6.251 1.00 0.00 O ATOM 939 CB SER A 57 4.610 -9.212 5.588 1.00 0.00 C ATOM 940 OG SER A 57 3.503 -9.812 6.247 1.00 0.00 O ATOM 0 H SER A 57 3.806 -11.526 3.980 1.00 0.00 H new ATOM 0 HA SER A 57 6.237 -9.837 4.319 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.285 -8.766 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.268 -8.408 4.937 1.00 0.00 H new ATOM 0 HG SER A 57 3.612 -10.786 6.249 1.00 0.00 H new ATOM 946 N PRO A 58 7.046 -11.618 5.828 1.00 0.00 N ATOM 947 CA PRO A 58 8.035 -10.796 5.146 1.00 0.00 C ATOM 948 C PRO A 58 8.097 -11.167 3.662 1.00 0.00 C ATOM 949 O PRO A 58 7.274 -11.910 3.164 1.00 0.00 O ATOM 950 CB PRO A 58 9.342 -11.127 5.829 1.00 0.00 C ATOM 951 CG PRO A 58 9.118 -12.574 6.371 1.00 0.00 C ATOM 952 CD PRO A 58 7.596 -12.676 6.686 1.00 0.00 C ATOM 0 HA PRO A 58 7.801 -9.733 5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.180 -11.085 5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.562 -10.427 6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.416 -13.319 5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 58 9.716 -12.754 7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.191 -13.657 6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.383 -12.501 7.741 1.00 0.00 H new ATOM 960 N CYS A 59 9.067 -10.661 2.953 1.00 0.00 N ATOM 961 CA CYS A 59 9.181 -10.990 1.505 1.00 0.00 C ATOM 962 C CYS A 59 10.290 -12.032 1.308 1.00 0.00 C ATOM 963 O CYS A 59 10.118 -13.191 1.630 1.00 0.00 O ATOM 964 CB CYS A 59 9.504 -9.718 0.717 1.00 0.00 C ATOM 965 SG CYS A 59 9.992 -10.159 -0.970 1.00 0.00 S ATOM 0 H CYS A 59 9.786 -10.034 3.314 1.00 0.00 H new ATOM 0 HA CYS A 59 8.238 -11.400 1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.635 -9.061 0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.307 -9.168 1.207 1.00 0.00 H new ATOM 0 HG CYS A 59 10.264 -9.078 -1.639 1.00 0.00 H new ATOM 971 N GLN A 60 11.428 -11.638 0.791 1.00 0.00 N ATOM 972 CA GLN A 60 12.532 -12.621 0.589 1.00 0.00 C ATOM 973 C GLN A 60 13.563 -12.049 -0.387 1.00 0.00 C ATOM 974 O GLN A 60 13.258 -11.765 -1.529 1.00 0.00 O ATOM 975 CB GLN A 60 11.965 -13.922 0.019 1.00 0.00 C ATOM 976 CG GLN A 60 10.876 -13.599 -1.007 1.00 0.00 C ATOM 977 CD GLN A 60 10.787 -14.733 -2.030 1.00 0.00 C ATOM 978 OE1 GLN A 60 11.688 -14.925 -2.822 1.00 0.00 O ATOM 979 NE2 GLN A 60 9.729 -15.497 -2.048 1.00 0.00 N ATOM 0 H GLN A 60 11.638 -10.682 0.502 1.00 0.00 H new ATOM 0 HA GLN A 60 13.011 -12.820 1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.760 -14.503 -0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.553 -14.534 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.916 -13.470 -0.506 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.102 -12.658 -1.509 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.972 -15.336 -1.383 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.659 -16.255 -2.727 1.00 0.00 H new ATOM 988 N ASP A 61 14.784 -11.890 0.055 1.00 0.00 N ATOM 989 CA ASP A 61 15.855 -11.350 -0.835 1.00 0.00 C ATOM 990 C ASP A 61 15.778 -9.819 -0.907 1.00 0.00 C ATOM 991 O ASP A 61 16.787 -9.144 -0.909 1.00 0.00 O ATOM 992 CB ASP A 61 15.699 -11.934 -2.241 1.00 0.00 C ATOM 993 CG ASP A 61 17.063 -12.392 -2.759 1.00 0.00 C ATOM 994 OD1 ASP A 61 17.901 -12.733 -1.941 1.00 0.00 O ATOM 995 OD2 ASP A 61 17.247 -12.395 -3.966 1.00 0.00 O ATOM 0 H ASP A 61 15.087 -12.113 1.003 1.00 0.00 H new ATOM 0 HA ASP A 61 16.823 -11.634 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.005 -12.774 -2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.276 -11.186 -2.912 1.00 0.00 H new ATOM 1000 N PHE A 62 14.598 -9.263 -0.977 1.00 0.00 N ATOM 1001 CA PHE A 62 14.485 -7.779 -1.061 1.00 0.00 C ATOM 1002 C PHE A 62 14.382 -7.182 0.343 1.00 0.00 C ATOM 1003 O PHE A 62 13.304 -6.934 0.847 1.00 0.00 O ATOM 1004 CB PHE A 62 13.237 -7.406 -1.864 1.00 0.00 C ATOM 1005 CG PHE A 62 13.601 -6.369 -2.900 1.00 0.00 C ATOM 1006 CD1 PHE A 62 14.286 -5.207 -2.519 1.00 0.00 C ATOM 1007 CD2 PHE A 62 13.255 -6.568 -4.243 1.00 0.00 C ATOM 1008 CE1 PHE A 62 14.624 -4.245 -3.482 1.00 0.00 C ATOM 1009 CE2 PHE A 62 13.593 -5.608 -5.205 1.00 0.00 C ATOM 1010 CZ PHE A 62 14.278 -4.446 -4.825 1.00 0.00 C ATOM 0 H PHE A 62 13.712 -9.769 -0.980 1.00 0.00 H new ATOM 0 HA PHE A 62 15.372 -7.382 -1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.824 -8.291 -2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.466 -7.017 -1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.553 -5.052 -1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.727 -7.463 -4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.151 -3.349 -3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.326 -5.763 -6.240 1.00 0.00 H new ATOM 0 HZ PHE A 62 14.539 -3.706 -5.567 1.00 0.00 H new ATOM 1020 N GLY A 63 15.498 -6.936 0.972 1.00 0.00 N ATOM 1021 CA GLY A 63 15.470 -6.340 2.338 1.00 0.00 C ATOM 1022 C GLY A 63 15.131 -7.415 3.372 1.00 0.00 C ATOM 1023 O GLY A 63 14.704 -7.119 4.468 1.00 0.00 O ATOM 0 H GLY A 63 16.429 -7.122 0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.437 -5.894 2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.732 -5.539 2.379 1.00 0.00 H new ATOM 1027 N LYS A 64 15.321 -8.662 3.037 1.00 0.00 N ATOM 1028 CA LYS A 64 15.011 -9.745 4.011 1.00 0.00 C ATOM 1029 C LYS A 64 15.740 -9.462 5.326 1.00 0.00 C ATOM 1030 O LYS A 64 16.862 -9.880 5.527 1.00 0.00 O ATOM 1031 CB LYS A 64 15.473 -11.089 3.444 1.00 0.00 C ATOM 1032 CG LYS A 64 15.458 -12.147 4.548 1.00 0.00 C ATOM 1033 CD LYS A 64 14.025 -12.350 5.043 1.00 0.00 C ATOM 1034 CE LYS A 64 14.018 -13.362 6.189 1.00 0.00 C ATOM 1035 NZ LYS A 64 12.627 -13.530 6.695 1.00 0.00 N ATOM 0 H LYS A 64 15.676 -8.976 2.134 1.00 0.00 H new ATOM 0 HA LYS A 64 13.937 -9.782 4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.820 -11.394 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.477 -10.995 3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.860 -13.087 4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.098 -11.835 5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.608 -11.401 5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.394 -12.704 4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.409 -14.319 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.670 -13.021 6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.622 -14.218 7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.270 -12.616 7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.017 -13.873 5.926 1.00 0.00 H new ATOM 1049 N ARG A 65 15.112 -8.748 6.221 1.00 0.00 N ATOM 1050 CA ARG A 65 15.772 -8.431 7.519 1.00 0.00 C ATOM 1051 C ARG A 65 14.888 -7.481 8.323 1.00 0.00 C ATOM 1052 O ARG A 65 14.098 -7.893 9.148 1.00 0.00 O ATOM 1053 CB ARG A 65 17.126 -7.771 7.253 1.00 0.00 C ATOM 1054 CG ARG A 65 18.250 -8.713 7.691 1.00 0.00 C ATOM 1055 CD ARG A 65 19.581 -7.960 7.682 1.00 0.00 C ATOM 1056 NE ARG A 65 20.617 -8.775 8.375 1.00 0.00 N ATOM 1057 CZ ARG A 65 20.544 -8.963 9.664 1.00 0.00 C ATOM 1058 NH1 ARG A 65 20.330 -7.951 10.460 1.00 0.00 N ATOM 1059 NH2 ARG A 65 20.684 -10.163 10.157 1.00 0.00 N ATOM 0 H ARG A 65 14.171 -8.371 6.109 1.00 0.00 H new ATOM 0 HA ARG A 65 15.921 -9.350 8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.226 -7.537 6.193 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.195 -6.828 7.796 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.046 -9.100 8.689 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.301 -9.571 7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.889 -7.757 6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.469 -6.996 8.178 1.00 0.00 H new ATOM 0 HE ARG A 65 21.383 -9.186 7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.220 -7.013 10.074 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.273 -8.098 11.468 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.850 -10.954 9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.627 -10.310 11.165 1.00 0.00 H new ATOM 1073 N MET A 66 15.023 -6.214 8.086 1.00 0.00 N ATOM 1074 CA MET A 66 14.200 -5.219 8.831 1.00 0.00 C ATOM 1075 C MET A 66 12.716 -5.479 8.560 1.00 0.00 C ATOM 1076 O MET A 66 12.302 -6.601 8.343 1.00 0.00 O ATOM 1077 CB MET A 66 14.563 -3.806 8.367 1.00 0.00 C ATOM 1078 CG MET A 66 16.078 -3.610 8.465 1.00 0.00 C ATOM 1079 SD MET A 66 16.432 -1.987 9.184 1.00 0.00 S ATOM 1080 CE MET A 66 16.830 -2.559 10.854 1.00 0.00 C ATOM 0 H MET A 66 15.670 -5.817 7.405 1.00 0.00 H new ATOM 0 HA MET A 66 14.396 -5.312 9.899 1.00 0.00 H new ATOM 0 HB2 MET A 66 14.231 -3.653 7.340 1.00 0.00 H new ATOM 0 HB3 MET A 66 14.049 -3.067 8.982 1.00 0.00 H new ATOM 0 HG2 MET A 66 16.518 -4.395 9.079 1.00 0.00 H new ATOM 0 HG3 MET A 66 16.530 -3.688 7.476 1.00 0.00 H new ATOM 0 HE1 MET A 66 17.084 -1.704 11.481 1.00 0.00 H new ATOM 0 HE2 MET A 66 15.968 -3.076 11.277 1.00 0.00 H new ATOM 0 HE3 MET A 66 17.678 -3.243 10.812 1.00 0.00 H new ATOM 1090 N PHE A 67 11.912 -4.451 8.571 1.00 0.00 N ATOM 1091 CA PHE A 67 10.457 -4.642 8.315 1.00 0.00 C ATOM 1092 C PHE A 67 10.144 -4.276 6.862 1.00 0.00 C ATOM 1093 O PHE A 67 9.602 -3.225 6.578 1.00 0.00 O ATOM 1094 CB PHE A 67 9.653 -3.746 9.258 1.00 0.00 C ATOM 1095 CG PHE A 67 9.878 -4.193 10.682 1.00 0.00 C ATOM 1096 CD1 PHE A 67 9.141 -5.263 11.205 1.00 0.00 C ATOM 1097 CD2 PHE A 67 10.824 -3.537 11.481 1.00 0.00 C ATOM 1098 CE1 PHE A 67 9.350 -5.679 12.527 1.00 0.00 C ATOM 1099 CE2 PHE A 67 11.034 -3.952 12.803 1.00 0.00 C ATOM 1100 CZ PHE A 67 10.297 -5.023 13.326 1.00 0.00 C ATOM 0 H PHE A 67 12.200 -3.488 8.746 1.00 0.00 H new ATOM 0 HA PHE A 67 10.188 -5.684 8.491 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.958 -2.706 9.138 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.592 -3.798 9.012 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.411 -5.768 10.589 1.00 0.00 H new ATOM 0 HD2 PHE A 67 11.391 -2.711 11.078 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.782 -6.504 12.930 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.764 -3.447 13.418 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.459 -5.343 14.345 1.00 0.00 H new ATOM 1110 N VAL A 68 10.484 -5.136 5.943 1.00 0.00 N ATOM 1111 CA VAL A 68 10.215 -4.846 4.507 1.00 0.00 C ATOM 1112 C VAL A 68 9.349 -5.964 3.918 1.00 0.00 C ATOM 1113 O VAL A 68 9.662 -7.132 4.032 1.00 0.00 O ATOM 1114 CB VAL A 68 11.548 -4.771 3.756 1.00 0.00 C ATOM 1115 CG1 VAL A 68 12.478 -5.868 4.270 1.00 0.00 C ATOM 1116 CG2 VAL A 68 11.319 -4.960 2.253 1.00 0.00 C ATOM 0 H VAL A 68 10.938 -6.031 6.125 1.00 0.00 H new ATOM 0 HA VAL A 68 9.689 -3.897 4.410 1.00 0.00 H new ATOM 0 HB VAL A 68 11.999 -3.793 3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.428 -5.818 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.652 -5.727 5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.019 -6.842 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.274 -4.905 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.863 -5.934 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.657 -4.176 1.884 1.00 0.00 H new ATOM 1126 N PHE A 69 8.263 -5.613 3.284 1.00 0.00 N ATOM 1127 CA PHE A 69 7.382 -6.653 2.685 1.00 0.00 C ATOM 1128 C PHE A 69 7.222 -6.380 1.187 1.00 0.00 C ATOM 1129 O PHE A 69 7.665 -5.368 0.682 1.00 0.00 O ATOM 1130 CB PHE A 69 6.010 -6.616 3.368 1.00 0.00 C ATOM 1131 CG PHE A 69 5.247 -5.393 2.915 1.00 0.00 C ATOM 1132 CD1 PHE A 69 4.654 -5.367 1.645 1.00 0.00 C ATOM 1133 CD2 PHE A 69 5.130 -4.286 3.765 1.00 0.00 C ATOM 1134 CE1 PHE A 69 3.947 -4.233 1.225 1.00 0.00 C ATOM 1135 CE2 PHE A 69 4.421 -3.152 3.344 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.831 -3.127 2.073 1.00 0.00 C ATOM 0 H PHE A 69 7.949 -4.651 3.156 1.00 0.00 H new ATOM 0 HA PHE A 69 7.828 -7.638 2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.448 -7.518 3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.133 -6.599 4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.742 -6.221 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.586 -4.306 4.744 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.491 -4.213 0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.330 -2.298 3.999 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.286 -2.253 1.748 1.00 0.00 H new ATOM 1146 N LYS A 70 6.587 -7.270 0.475 1.00 0.00 N ATOM 1147 CA LYS A 70 6.397 -7.052 -0.987 1.00 0.00 C ATOM 1148 C LYS A 70 4.941 -7.336 -1.364 1.00 0.00 C ATOM 1149 O LYS A 70 4.430 -8.417 -1.147 1.00 0.00 O ATOM 1150 CB LYS A 70 7.328 -7.984 -1.768 1.00 0.00 C ATOM 1151 CG LYS A 70 6.831 -9.425 -1.650 1.00 0.00 C ATOM 1152 CD LYS A 70 6.055 -9.805 -2.913 1.00 0.00 C ATOM 1153 CE LYS A 70 5.768 -11.307 -2.904 1.00 0.00 C ATOM 1154 NZ LYS A 70 5.568 -11.783 -4.301 1.00 0.00 N ATOM 0 H LYS A 70 6.192 -8.136 0.841 1.00 0.00 H new ATOM 0 HA LYS A 70 6.634 -6.017 -1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.362 -7.685 -2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.344 -7.907 -1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.675 -10.101 -1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.192 -9.529 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.121 -9.246 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.631 -9.539 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.596 -11.843 -2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.880 -11.515 -2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.373 -12.804 -4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.764 -11.279 -4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.427 -11.598 -4.857 1.00 0.00 H new ATOM 1168 N ILE A 71 4.269 -6.369 -1.928 1.00 0.00 N ATOM 1169 CA ILE A 71 2.845 -6.573 -2.324 1.00 0.00 C ATOM 1170 C ILE A 71 2.792 -7.017 -3.789 1.00 0.00 C ATOM 1171 O ILE A 71 3.766 -6.942 -4.509 1.00 0.00 O ATOM 1172 CB ILE A 71 2.073 -5.251 -2.133 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.470 -5.224 -0.727 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.940 -5.121 -3.161 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.975 -3.812 -0.409 1.00 0.00 C ATOM 0 H ILE A 71 4.646 -5.443 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 71 2.386 -7.343 -1.704 1.00 0.00 H new ATOM 0 HB ILE A 71 2.767 -4.422 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.645 -5.933 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.216 -5.533 0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.412 -4.180 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.358 -5.139 -4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.244 -5.952 -3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.546 -3.794 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.811 -3.114 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.216 -3.521 -1.135 1.00 0.00 H new ATOM 1187 N THR A 72 1.655 -7.470 -4.228 1.00 0.00 N ATOM 1188 CA THR A 72 1.520 -7.911 -5.642 1.00 0.00 C ATOM 1189 C THR A 72 0.103 -7.593 -6.120 1.00 0.00 C ATOM 1190 O THR A 72 -0.787 -8.418 -6.055 1.00 0.00 O ATOM 1191 CB THR A 72 1.785 -9.418 -5.738 1.00 0.00 C ATOM 1192 OG1 THR A 72 3.183 -9.657 -5.649 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.260 -9.951 -7.073 1.00 0.00 C ATOM 0 H THR A 72 0.808 -7.555 -3.666 1.00 0.00 H new ATOM 0 HA THR A 72 2.243 -7.389 -6.269 1.00 0.00 H new ATOM 0 HB THR A 72 1.274 -9.928 -4.921 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.644 -8.823 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.450 -11.022 -7.137 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.188 -9.768 -7.141 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.768 -9.443 -7.893 1.00 0.00 H new ATOM 1201 N THR A 73 -0.113 -6.395 -6.590 1.00 0.00 N ATOM 1202 CA THR A 73 -1.473 -6.012 -7.065 1.00 0.00 C ATOM 1203 C THR A 73 -2.055 -7.141 -7.916 1.00 0.00 C ATOM 1204 O THR A 73 -1.367 -8.075 -8.278 1.00 0.00 O ATOM 1205 CB THR A 73 -1.387 -4.736 -7.908 1.00 0.00 C ATOM 1206 OG1 THR A 73 -0.967 -5.069 -9.222 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.386 -3.763 -7.280 1.00 0.00 C ATOM 0 H THR A 73 0.594 -5.664 -6.666 1.00 0.00 H new ATOM 0 HA THR A 73 -2.116 -5.834 -6.203 1.00 0.00 H new ATOM 0 HB THR A 73 -2.368 -4.262 -7.946 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.080 -4.292 -9.808 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.330 -2.858 -7.885 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.712 -3.506 -6.272 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.597 -4.231 -7.235 1.00 0.00 H new ATOM 1215 N THR A 74 -3.315 -7.065 -8.241 1.00 0.00 N ATOM 1216 CA THR A 74 -3.935 -8.134 -9.071 1.00 0.00 C ATOM 1217 C THR A 74 -3.317 -8.108 -10.471 1.00 0.00 C ATOM 1218 O THR A 74 -3.455 -9.039 -11.239 1.00 0.00 O ATOM 1219 CB THR A 74 -5.444 -7.896 -9.173 1.00 0.00 C ATOM 1220 OG1 THR A 74 -5.956 -8.592 -10.302 1.00 0.00 O ATOM 1221 CG2 THR A 74 -5.719 -6.400 -9.329 1.00 0.00 C ATOM 0 H THR A 74 -3.942 -6.309 -7.968 1.00 0.00 H new ATOM 0 HA THR A 74 -3.755 -9.105 -8.609 1.00 0.00 H new ATOM 0 HB THR A 74 -5.930 -8.260 -8.268 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.922 -8.442 -10.368 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.794 -6.233 -9.401 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.326 -5.866 -8.464 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.233 -6.033 -10.233 1.00 0.00 H new ATOM 1229 N LYS A 75 -2.636 -7.046 -10.807 1.00 0.00 N ATOM 1230 CA LYS A 75 -2.007 -6.958 -12.155 1.00 0.00 C ATOM 1231 C LYS A 75 -0.593 -7.539 -12.095 1.00 0.00 C ATOM 1232 O LYS A 75 0.192 -7.383 -13.009 1.00 0.00 O ATOM 1233 CB LYS A 75 -1.938 -5.494 -12.592 1.00 0.00 C ATOM 1234 CG LYS A 75 -3.343 -4.996 -12.935 1.00 0.00 C ATOM 1235 CD LYS A 75 -3.686 -3.790 -12.060 1.00 0.00 C ATOM 1236 CE LYS A 75 -4.953 -3.119 -12.592 1.00 0.00 C ATOM 1237 NZ LYS A 75 -6.149 -3.866 -12.107 1.00 0.00 N ATOM 0 H LYS A 75 -2.488 -6.235 -10.206 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.603 -7.523 -12.872 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.510 -4.886 -11.795 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.283 -5.392 -13.458 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.395 -4.721 -13.988 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.071 -5.792 -12.777 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.835 -4.107 -11.028 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.859 -3.080 -12.059 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.997 -2.083 -12.257 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.939 -3.101 -13.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.012 -3.411 -12.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.107 -4.848 -12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.164 -3.861 -11.067 1.00 0.00 H new ATOM 1251 N GLN A 76 -0.264 -8.208 -11.025 1.00 0.00 N ATOM 1252 CA GLN A 76 1.098 -8.800 -10.903 1.00 0.00 C ATOM 1253 C GLN A 76 2.123 -7.688 -10.667 1.00 0.00 C ATOM 1254 O GLN A 76 3.287 -7.826 -10.989 1.00 0.00 O ATOM 1255 CB GLN A 76 1.442 -9.548 -12.192 1.00 0.00 C ATOM 1256 CG GLN A 76 1.804 -10.997 -11.862 1.00 0.00 C ATOM 1257 CD GLN A 76 3.125 -11.361 -12.543 1.00 0.00 C ATOM 1258 OE1 GLN A 76 3.132 -11.978 -13.590 1.00 0.00 O ATOM 1259 NE2 GLN A 76 4.251 -11.003 -11.989 1.00 0.00 N ATOM 0 H GLN A 76 -0.880 -8.371 -10.229 1.00 0.00 H new ATOM 0 HA GLN A 76 1.119 -9.493 -10.062 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.595 -9.521 -12.877 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.276 -9.060 -12.696 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.892 -11.124 -10.783 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.012 -11.666 -12.199 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.245 -10.485 -11.110 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.137 -11.241 -12.435 1.00 0.00 H new ATOM 1268 N GLN A 77 1.705 -6.588 -10.101 1.00 0.00 N ATOM 1269 CA GLN A 77 2.661 -5.476 -9.841 1.00 0.00 C ATOM 1270 C GLN A 77 3.278 -5.664 -8.455 1.00 0.00 C ATOM 1271 O GLN A 77 2.588 -5.687 -7.456 1.00 0.00 O ATOM 1272 CB GLN A 77 1.923 -4.136 -9.895 1.00 0.00 C ATOM 1273 CG GLN A 77 2.314 -3.388 -11.171 1.00 0.00 C ATOM 1274 CD GLN A 77 1.212 -3.557 -12.218 1.00 0.00 C ATOM 1275 OE1 GLN A 77 0.199 -2.888 -12.166 1.00 0.00 O ATOM 1276 NE2 GLN A 77 1.367 -4.431 -13.175 1.00 0.00 N ATOM 0 H GLN A 77 0.744 -6.412 -9.808 1.00 0.00 H new ATOM 0 HA GLN A 77 3.444 -5.482 -10.599 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.846 -4.301 -9.873 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.171 -3.537 -9.019 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.465 -2.331 -10.954 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.258 -3.773 -11.556 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.217 -4.993 -13.220 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.638 -4.552 -13.878 1.00 0.00 H new ATOM 1285 N ASP A 78 4.573 -5.808 -8.386 1.00 0.00 N ATOM 1286 CA ASP A 78 5.227 -6.007 -7.063 1.00 0.00 C ATOM 1287 C ASP A 78 5.593 -4.652 -6.452 1.00 0.00 C ATOM 1288 O ASP A 78 6.110 -3.777 -7.119 1.00 0.00 O ATOM 1289 CB ASP A 78 6.497 -6.841 -7.245 1.00 0.00 C ATOM 1290 CG ASP A 78 6.660 -7.792 -6.059 1.00 0.00 C ATOM 1291 OD1 ASP A 78 6.211 -7.443 -4.979 1.00 0.00 O ATOM 1292 OD2 ASP A 78 7.231 -8.853 -6.249 1.00 0.00 O ATOM 0 H ASP A 78 5.205 -5.796 -9.187 1.00 0.00 H new ATOM 0 HA ASP A 78 4.537 -6.526 -6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.442 -7.408 -8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.366 -6.187 -7.322 1.00 0.00 H new ATOM 1297 N HIS A 79 5.332 -4.477 -5.185 1.00 0.00 N ATOM 1298 CA HIS A 79 5.667 -3.186 -4.520 1.00 0.00 C ATOM 1299 C HIS A 79 6.444 -3.476 -3.233 1.00 0.00 C ATOM 1300 O HIS A 79 5.871 -3.771 -2.204 1.00 0.00 O ATOM 1301 CB HIS A 79 4.377 -2.436 -4.183 1.00 0.00 C ATOM 1302 CG HIS A 79 3.745 -1.928 -5.449 1.00 0.00 C ATOM 1303 ND1 HIS A 79 4.335 -0.947 -6.229 1.00 0.00 N ATOM 1304 CD2 HIS A 79 2.574 -2.259 -6.086 1.00 0.00 C ATOM 1305 CE1 HIS A 79 3.526 -0.721 -7.279 1.00 0.00 C ATOM 1306 NE2 HIS A 79 2.438 -1.495 -7.241 1.00 0.00 N ATOM 0 H HIS A 79 4.900 -5.175 -4.580 1.00 0.00 H new ATOM 0 HA HIS A 79 6.274 -2.573 -5.186 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.686 -3.097 -3.659 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.592 -1.604 -3.513 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.867 -2.999 -5.743 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.731 -0.002 -8.058 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.672 -1.521 -7.914 1.00 0.00 H new ATOM 1314 N PHE A 80 7.746 -3.404 -3.285 1.00 0.00 N ATOM 1315 CA PHE A 80 8.557 -3.688 -2.067 1.00 0.00 C ATOM 1316 C PHE A 80 8.784 -2.398 -1.276 1.00 0.00 C ATOM 1317 O PHE A 80 9.363 -1.449 -1.768 1.00 0.00 O ATOM 1318 CB PHE A 80 9.911 -4.270 -2.482 1.00 0.00 C ATOM 1319 CG PHE A 80 9.730 -5.166 -3.684 1.00 0.00 C ATOM 1320 CD1 PHE A 80 9.804 -4.630 -4.977 1.00 0.00 C ATOM 1321 CD2 PHE A 80 9.491 -6.535 -3.506 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.638 -5.463 -6.091 1.00 0.00 C ATOM 1323 CE2 PHE A 80 9.324 -7.368 -4.620 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.397 -6.832 -5.913 1.00 0.00 C ATOM 0 H PHE A 80 8.283 -3.161 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 80 8.022 -4.403 -1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.607 -3.465 -2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.344 -4.835 -1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.989 -3.575 -5.114 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.435 -6.948 -2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.696 -5.050 -7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.139 -8.423 -4.482 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.268 -7.474 -6.772 1.00 0.00 H new ATOM 1334 N PHE A 81 8.345 -2.360 -0.046 1.00 0.00 N ATOM 1335 CA PHE A 81 8.548 -1.137 0.780 1.00 0.00 C ATOM 1336 C PHE A 81 8.657 -1.537 2.255 1.00 0.00 C ATOM 1337 O PHE A 81 8.020 -2.469 2.706 1.00 0.00 O ATOM 1338 CB PHE A 81 7.380 -0.148 0.538 1.00 0.00 C ATOM 1339 CG PHE A 81 6.446 -0.050 1.736 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.914 0.453 2.960 1.00 0.00 C ATOM 1341 CD2 PHE A 81 5.107 -0.450 1.614 1.00 0.00 C ATOM 1342 CE1 PHE A 81 6.049 0.550 4.056 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.242 -0.347 2.713 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.714 0.151 3.934 1.00 0.00 C ATOM 0 H PHE A 81 7.855 -3.123 0.421 1.00 0.00 H new ATOM 0 HA PHE A 81 9.473 -0.636 0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.784 0.839 0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.813 -0.467 -0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.943 0.766 3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.742 -0.837 0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.413 0.934 4.998 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.210 -0.652 2.618 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.048 0.227 4.781 1.00 0.00 H new ATOM 1354 N GLN A 82 9.451 -0.828 3.010 1.00 0.00 N ATOM 1355 CA GLN A 82 9.591 -1.152 4.457 1.00 0.00 C ATOM 1356 C GLN A 82 9.077 0.034 5.280 1.00 0.00 C ATOM 1357 O GLN A 82 9.217 1.180 4.888 1.00 0.00 O ATOM 1358 CB GLN A 82 11.063 -1.427 4.792 1.00 0.00 C ATOM 1359 CG GLN A 82 11.827 -0.108 4.945 1.00 0.00 C ATOM 1360 CD GLN A 82 13.303 -0.403 5.217 1.00 0.00 C ATOM 1361 OE1 GLN A 82 14.173 0.147 4.571 1.00 0.00 O ATOM 1362 NE2 GLN A 82 13.626 -1.254 6.154 1.00 0.00 N ATOM 0 H GLN A 82 10.009 -0.038 2.686 1.00 0.00 H new ATOM 0 HA GLN A 82 9.010 -2.043 4.694 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.132 -2.004 5.714 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.516 -2.029 4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.725 0.491 4.040 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.405 0.476 5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.896 -1.716 6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.608 -1.456 6.343 1.00 0.00 H new ATOM 1371 N ALA A 83 8.480 -0.230 6.411 1.00 0.00 N ATOM 1372 CA ALA A 83 7.956 0.881 7.253 1.00 0.00 C ATOM 1373 C ALA A 83 9.042 1.343 8.227 1.00 0.00 C ATOM 1374 O ALA A 83 9.843 2.201 7.915 1.00 0.00 O ATOM 1375 CB ALA A 83 6.739 0.392 8.042 1.00 0.00 C ATOM 0 H ALA A 83 8.333 -1.167 6.787 1.00 0.00 H new ATOM 0 HA ALA A 83 7.665 1.714 6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.355 1.205 8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.964 0.064 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.031 -0.442 8.681 1.00 0.00 H new ATOM 1381 N ALA A 84 9.073 0.786 9.408 1.00 0.00 N ATOM 1382 CA ALA A 84 10.106 1.203 10.396 1.00 0.00 C ATOM 1383 C ALA A 84 10.205 0.168 11.511 1.00 0.00 C ATOM 1384 O ALA A 84 11.069 -0.685 11.513 1.00 0.00 O ATOM 1385 CB ALA A 84 9.717 2.558 10.993 1.00 0.00 C ATOM 0 H ALA A 84 8.429 0.063 9.729 1.00 0.00 H new ATOM 0 HA ALA A 84 11.071 1.284 9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.471 2.867 11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.652 3.301 10.198 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.751 2.473 11.490 1.00 0.00 H new ATOM 1391 N PHE A 85 9.327 0.249 12.461 1.00 0.00 N ATOM 1392 CA PHE A 85 9.355 -0.718 13.598 1.00 0.00 C ATOM 1393 C PHE A 85 8.348 -1.837 13.344 1.00 0.00 C ATOM 1394 O PHE A 85 7.602 -1.813 12.386 1.00 0.00 O ATOM 1395 CB PHE A 85 8.996 -0.013 14.917 1.00 0.00 C ATOM 1396 CG PHE A 85 8.812 1.473 14.696 1.00 0.00 C ATOM 1397 CD1 PHE A 85 9.925 2.322 14.688 1.00 0.00 C ATOM 1398 CD2 PHE A 85 7.527 1.998 14.499 1.00 0.00 C ATOM 1399 CE1 PHE A 85 9.756 3.698 14.482 1.00 0.00 C ATOM 1400 CE2 PHE A 85 7.358 3.373 14.294 1.00 0.00 C ATOM 1401 CZ PHE A 85 8.471 4.224 14.285 1.00 0.00 C ATOM 0 H PHE A 85 8.583 0.946 12.505 1.00 0.00 H new ATOM 0 HA PHE A 85 10.361 -1.130 13.676 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.081 -0.441 15.327 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.783 -0.182 15.652 1.00 0.00 H new ATOM 0 HD1 PHE A 85 10.914 1.917 14.841 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.668 1.343 14.505 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.615 4.353 14.475 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.368 3.778 14.143 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.339 5.284 14.126 1.00 0.00 H new ATOM 1411 N LEU A 86 8.325 -2.818 14.201 1.00 0.00 N ATOM 1412 CA LEU A 86 7.368 -3.945 14.025 1.00 0.00 C ATOM 1413 C LEU A 86 5.938 -3.419 14.176 1.00 0.00 C ATOM 1414 O LEU A 86 5.046 -3.803 13.449 1.00 0.00 O ATOM 1415 CB LEU A 86 7.657 -5.021 15.088 1.00 0.00 C ATOM 1416 CG LEU A 86 6.363 -5.738 15.499 1.00 0.00 C ATOM 1417 CD1 LEU A 86 6.696 -7.115 16.066 1.00 0.00 C ATOM 1418 CD2 LEU A 86 5.642 -4.912 16.566 1.00 0.00 C ATOM 0 H LEU A 86 8.930 -2.888 15.019 1.00 0.00 H new ATOM 0 HA LEU A 86 7.481 -4.384 13.034 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.371 -5.745 14.695 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.118 -4.561 15.962 1.00 0.00 H new ATOM 0 HG LEU A 86 5.720 -5.852 14.626 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.775 -7.621 16.357 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.211 -7.706 15.308 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.340 -7.003 16.939 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.723 -5.419 16.859 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.288 -4.799 17.437 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.401 -3.928 16.163 1.00 0.00 H new ATOM 1430 N GLU A 87 5.712 -2.554 15.122 1.00 0.00 N ATOM 1431 CA GLU A 87 4.340 -2.022 15.323 1.00 0.00 C ATOM 1432 C GLU A 87 3.847 -1.364 14.031 1.00 0.00 C ATOM 1433 O GLU A 87 2.924 -1.834 13.396 1.00 0.00 O ATOM 1434 CB GLU A 87 4.355 -0.987 16.450 1.00 0.00 C ATOM 1435 CG GLU A 87 3.412 -1.431 17.568 1.00 0.00 C ATOM 1436 CD GLU A 87 2.565 -0.242 18.024 1.00 0.00 C ATOM 1437 OE1 GLU A 87 2.338 0.643 17.216 1.00 0.00 O ATOM 1438 OE2 GLU A 87 2.158 -0.235 19.175 1.00 0.00 O ATOM 0 H GLU A 87 6.418 -2.193 15.764 1.00 0.00 H new ATOM 0 HA GLU A 87 3.671 -2.840 15.588 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.367 -0.872 16.838 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.048 -0.014 16.067 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.767 -2.236 17.216 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.986 -1.825 18.407 1.00 0.00 H new ATOM 1445 N GLU A 88 4.453 -0.275 13.639 1.00 0.00 N ATOM 1446 CA GLU A 88 4.018 0.416 12.393 1.00 0.00 C ATOM 1447 C GLU A 88 4.033 -0.570 11.222 1.00 0.00 C ATOM 1448 O GLU A 88 3.246 -0.467 10.302 1.00 0.00 O ATOM 1449 CB GLU A 88 4.972 1.576 12.092 1.00 0.00 C ATOM 1450 CG GLU A 88 4.533 2.282 10.806 1.00 0.00 C ATOM 1451 CD GLU A 88 5.236 3.637 10.701 1.00 0.00 C ATOM 1452 OE1 GLU A 88 4.811 4.557 11.381 1.00 0.00 O ATOM 1453 OE2 GLU A 88 6.188 3.732 9.943 1.00 0.00 O ATOM 0 H GLU A 88 5.231 0.165 14.129 1.00 0.00 H new ATOM 0 HA GLU A 88 3.007 0.799 12.530 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.976 2.282 12.923 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.991 1.204 11.985 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.776 1.667 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.452 2.420 10.806 1.00 0.00 H new ATOM 1460 N ARG A 89 4.925 -1.522 11.245 1.00 0.00 N ATOM 1461 CA ARG A 89 4.991 -2.508 10.128 1.00 0.00 C ATOM 1462 C ARG A 89 3.652 -3.239 9.996 1.00 0.00 C ATOM 1463 O ARG A 89 2.965 -3.116 9.003 1.00 0.00 O ATOM 1464 CB ARG A 89 6.100 -3.525 10.409 1.00 0.00 C ATOM 1465 CG ARG A 89 6.049 -4.638 9.359 1.00 0.00 C ATOM 1466 CD ARG A 89 5.467 -5.905 9.984 1.00 0.00 C ATOM 1467 NE ARG A 89 6.275 -7.084 9.562 1.00 0.00 N ATOM 1468 CZ ARG A 89 6.026 -8.261 10.068 1.00 0.00 C ATOM 1469 NH1 ARG A 89 5.931 -8.409 11.360 1.00 0.00 N ATOM 1470 NH2 ARG A 89 5.871 -9.290 9.280 1.00 0.00 N ATOM 0 H ARG A 89 5.610 -1.660 11.988 1.00 0.00 H new ATOM 0 HA ARG A 89 5.204 -1.980 9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.073 -3.034 10.387 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.978 -3.946 11.407 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.439 -4.325 8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.050 -4.836 8.975 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.468 -5.821 11.071 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.430 -6.032 9.675 1.00 0.00 H new ATOM 0 HE ARG A 89 7.023 -6.971 8.878 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.051 -7.605 11.976 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.736 -9.329 11.755 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.945 -9.174 8.269 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.676 -10.210 9.675 1.00 0.00 H new ATOM 1484 N ASP A 90 3.280 -4.006 10.985 1.00 0.00 N ATOM 1485 CA ASP A 90 1.990 -4.751 10.912 1.00 0.00 C ATOM 1486 C ASP A 90 0.831 -3.769 10.734 1.00 0.00 C ATOM 1487 O ASP A 90 -0.221 -4.121 10.238 1.00 0.00 O ATOM 1488 CB ASP A 90 1.788 -5.544 12.204 1.00 0.00 C ATOM 1489 CG ASP A 90 2.646 -6.810 12.167 1.00 0.00 C ATOM 1490 OD1 ASP A 90 3.422 -6.949 11.237 1.00 0.00 O ATOM 1491 OD2 ASP A 90 2.511 -7.619 13.070 1.00 0.00 O ATOM 0 H ASP A 90 3.815 -4.149 11.842 1.00 0.00 H new ATOM 0 HA ASP A 90 2.017 -5.432 10.062 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.060 -4.933 13.064 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.737 -5.808 12.320 1.00 0.00 H new ATOM 1496 N ALA A 91 1.007 -2.541 11.135 1.00 0.00 N ATOM 1497 CA ALA A 91 -0.093 -1.547 10.988 1.00 0.00 C ATOM 1498 C ALA A 91 -0.242 -1.164 9.514 1.00 0.00 C ATOM 1499 O ALA A 91 -1.323 -0.865 9.047 1.00 0.00 O ATOM 1500 CB ALA A 91 0.232 -0.297 11.808 1.00 0.00 C ATOM 0 H ALA A 91 1.863 -2.183 11.558 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.025 -1.984 11.347 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.574 0.429 11.699 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.337 -0.568 12.859 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.165 0.140 11.451 1.00 0.00 H new ATOM 1506 N TRP A 92 0.835 -1.165 8.779 1.00 0.00 N ATOM 1507 CA TRP A 92 0.758 -0.797 7.340 1.00 0.00 C ATOM 1508 C TRP A 92 0.316 -2.011 6.519 1.00 0.00 C ATOM 1509 O TRP A 92 -0.453 -1.895 5.586 1.00 0.00 O ATOM 1510 CB TRP A 92 2.137 -0.338 6.872 1.00 0.00 C ATOM 1511 CG TRP A 92 2.134 1.143 6.686 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.734 2.032 7.511 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.511 1.925 5.626 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.520 3.308 7.025 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.772 3.295 5.865 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.753 1.579 4.491 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.296 4.287 5.007 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.272 2.576 3.626 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.544 3.927 3.884 1.00 0.00 C ATOM 0 H TRP A 92 1.767 -1.406 9.115 1.00 0.00 H new ATOM 0 HA TRP A 92 0.034 0.007 7.205 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.894 -0.621 7.604 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.398 -0.832 5.936 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.289 1.785 8.404 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.872 4.156 7.469 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.540 0.541 4.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.507 5.327 5.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.310 2.301 2.759 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.173 4.690 3.216 1.00 0.00 H new ATOM 1530 N VAL A 93 0.796 -3.176 6.860 1.00 0.00 N ATOM 1531 CA VAL A 93 0.401 -4.402 6.097 1.00 0.00 C ATOM 1532 C VAL A 93 -1.002 -4.834 6.524 1.00 0.00 C ATOM 1533 O VAL A 93 -1.694 -5.529 5.804 1.00 0.00 O ATOM 1534 CB VAL A 93 1.388 -5.551 6.361 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.477 -5.546 5.287 1.00 0.00 C ATOM 1536 CG2 VAL A 93 2.036 -5.392 7.736 1.00 0.00 C ATOM 0 H VAL A 93 1.444 -3.335 7.632 1.00 0.00 H new ATOM 0 HA VAL A 93 0.414 -4.168 5.032 1.00 0.00 H new ATOM 0 HB VAL A 93 0.843 -6.494 6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.177 -6.361 5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.021 -5.678 4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.011 -4.596 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.732 -6.213 7.907 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.575 -4.445 7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.264 -5.404 8.506 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.432 -4.428 7.687 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.792 -4.816 8.155 1.00 0.00 C ATOM 1548 C ARG A 94 -3.823 -3.830 7.601 1.00 0.00 C ATOM 1549 O ARG A 94 -4.968 -4.175 7.380 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.830 -4.797 9.686 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.845 -3.349 10.185 1.00 0.00 C ATOM 1552 CD ARG A 94 -3.065 -3.329 11.700 1.00 0.00 C ATOM 1553 NE ARG A 94 -2.153 -4.312 12.349 1.00 0.00 N ATOM 1554 CZ ARG A 94 -2.202 -4.500 13.639 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -3.355 -4.640 14.236 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -1.098 -4.553 14.332 1.00 0.00 N ATOM 0 H ARG A 94 -0.900 -3.845 8.333 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.027 -5.820 7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.714 -5.324 10.044 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.963 -5.321 10.087 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.903 -2.859 9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -3.636 -2.790 9.685 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.877 -2.329 12.092 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.102 -3.572 11.931 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.488 -4.840 11.783 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.218 -4.602 13.694 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.393 -4.787 15.245 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.197 -4.447 13.865 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.136 -4.700 15.341 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.431 -2.607 7.378 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.393 -1.605 6.841 1.00 0.00 C ATOM 1572 C ASP A 95 -4.457 -1.721 5.315 1.00 0.00 C ATOM 1573 O ASP A 95 -5.512 -1.619 4.723 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.941 -0.196 7.232 1.00 0.00 C ATOM 1575 CG ASP A 95 -5.006 0.448 8.121 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.414 -0.189 9.079 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -5.396 1.567 7.830 1.00 0.00 O ATOM 0 H ASP A 95 -2.487 -2.258 7.544 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.382 -1.794 7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.989 -0.241 7.760 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.782 0.408 6.339 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.341 -1.941 4.675 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.356 -2.071 3.190 1.00 0.00 C ATOM 1584 C ILE A 96 -3.983 -3.417 2.819 1.00 0.00 C ATOM 1585 O ILE A 96 -4.668 -3.544 1.823 1.00 0.00 O ATOM 1586 CB ILE A 96 -1.925 -1.997 2.646 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.412 -0.557 2.779 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -1.921 -2.415 1.174 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.175 -0.344 1.896 1.00 0.00 C ATOM 0 H ILE A 96 -2.425 -2.036 5.113 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.939 -1.259 2.755 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.277 -2.667 3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.196 0.143 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.164 -0.348 3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.905 -2.363 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.293 -3.436 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.563 -1.744 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.176 0.683 2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.614 -1.031 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.435 -0.532 0.854 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.760 -4.421 3.624 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.347 -5.758 3.332 1.00 0.00 C ATOM 1603 C ASN A 97 -5.806 -5.781 3.792 1.00 0.00 C ATOM 1604 O ASN A 97 -6.629 -6.484 3.241 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.557 -6.837 4.077 1.00 0.00 C ATOM 1606 CG ASN A 97 -3.938 -8.216 3.535 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.204 -9.127 4.294 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -3.977 -8.411 2.245 1.00 0.00 N ATOM 0 H ASN A 97 -3.196 -4.372 4.472 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.300 -5.952 2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.487 -6.669 3.954 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.767 -6.784 5.145 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.231 -9.327 1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.754 -7.647 1.607 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.134 -5.012 4.796 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.543 -4.986 5.282 1.00 0.00 C ATOM 1617 C LYS A 98 -8.416 -4.290 4.238 1.00 0.00 C ATOM 1618 O LYS A 98 -9.412 -4.824 3.790 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.618 -4.219 6.605 1.00 0.00 C ATOM 1620 CG LYS A 98 -9.082 -3.946 6.955 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.345 -2.438 6.925 1.00 0.00 C ATOM 1622 CE LYS A 98 -9.616 -1.937 8.346 1.00 0.00 C ATOM 1623 NZ LYS A 98 -9.844 -0.464 8.317 1.00 0.00 N ATOM 0 H LYS A 98 -5.489 -4.403 5.299 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.896 -6.005 5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.145 -4.796 7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.071 -3.280 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.736 -4.454 6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.311 -4.346 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.486 -1.917 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.198 -2.220 6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.487 -2.443 8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.772 -2.173 8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.225 -0.154 9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.944 0.023 8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.523 -0.233 7.564 1.00 0.00 H new ATOM 1637 N ALA A 99 -8.046 -3.104 3.840 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.849 -2.377 2.819 1.00 0.00 C ATOM 1639 C ALA A 99 -8.913 -3.221 1.545 1.00 0.00 C ATOM 1640 O ALA A 99 -9.942 -3.320 0.906 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.188 -1.032 2.508 1.00 0.00 C ATOM 0 H ALA A 99 -7.222 -2.607 4.178 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.856 -2.202 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.777 -0.501 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.133 -0.434 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.182 -1.201 2.124 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.822 -3.837 1.177 1.00 0.00 N ATOM 1648 CA ILE A 100 -7.823 -4.682 -0.050 1.00 0.00 C ATOM 1649 C ILE A 100 -8.758 -5.873 0.168 1.00 0.00 C ATOM 1650 O ILE A 100 -9.408 -6.341 -0.745 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.400 -5.181 -0.324 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.565 -4.039 -0.909 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.441 -6.342 -1.321 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.081 -4.401 -0.831 1.00 0.00 C ATOM 0 H ILE A 100 -6.932 -3.791 1.673 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.168 -4.099 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.953 -5.523 0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.852 -3.858 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.755 -3.117 -0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.427 -6.693 -1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.035 -7.157 -0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.890 -6.004 -2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.486 -3.588 -1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.800 -4.560 0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.898 -5.313 -1.400 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.835 -6.363 1.375 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.733 -7.518 1.653 1.00 0.00 C ATOM 1668 C LYS A 101 -11.176 -7.021 1.754 1.00 0.00 C ATOM 1669 O LYS A 101 -12.111 -7.796 1.802 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.322 -8.180 2.970 1.00 0.00 C ATOM 1671 CG LYS A 101 -10.088 -9.492 3.143 1.00 0.00 C ATOM 1672 CD LYS A 101 -10.324 -9.751 4.632 1.00 0.00 C ATOM 1673 CE LYS A 101 -11.500 -8.902 5.118 1.00 0.00 C ATOM 1674 NZ LYS A 101 -12.258 -9.653 6.156 1.00 0.00 N ATOM 0 H LYS A 101 -8.315 -6.013 2.180 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.655 -8.246 0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.249 -8.370 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.531 -7.512 3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.041 -9.442 2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.524 -10.315 2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.531 -10.808 4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.427 -9.508 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.137 -7.959 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.154 -8.655 4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.058 -9.076 6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.616 -10.541 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.631 -9.867 6.957 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.361 -5.731 1.780 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.738 -5.171 1.868 1.00 0.00 C ATOM 1690 C CYS A 102 -13.238 -4.846 0.460 1.00 0.00 C ATOM 1691 O CYS A 102 -14.413 -4.947 0.168 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.716 -3.893 2.710 1.00 0.00 C ATOM 1693 SG CYS A 102 -14.284 -3.012 2.509 1.00 0.00 S ATOM 0 H CYS A 102 -10.614 -5.037 1.744 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.402 -5.899 2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -12.557 -4.139 3.760 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -11.887 -3.256 2.402 1.00 0.00 H new ATOM 0 HG CYS A 102 -14.267 -1.927 3.225 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.350 -4.465 -0.418 1.00 0.00 N ATOM 1700 CA ILE A 103 -12.767 -4.143 -1.811 1.00 0.00 C ATOM 1701 C ILE A 103 -13.228 -5.433 -2.497 1.00 0.00 C ATOM 1702 O ILE A 103 -14.128 -5.427 -3.312 1.00 0.00 O ATOM 1703 CB ILE A 103 -11.576 -3.525 -2.563 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -11.543 -2.017 -2.306 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -11.705 -3.773 -4.070 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -12.773 -1.363 -2.940 1.00 0.00 C ATOM 0 H ILE A 103 -11.353 -4.363 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.589 -3.427 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.657 -3.988 -2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.526 -1.821 -1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -10.633 -1.586 -2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.854 -3.329 -4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.726 -4.846 -4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -12.627 -3.321 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -12.749 -0.289 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.770 -1.548 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.677 -1.786 -2.501 1.00 0.00 H new ATOM 1718 N GLU A 104 -12.621 -6.541 -2.165 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.029 -7.830 -2.791 1.00 0.00 C ATOM 1720 C GLU A 104 -14.357 -8.291 -2.181 1.00 0.00 C ATOM 1721 O GLU A 104 -14.909 -9.302 -2.565 1.00 0.00 O ATOM 1722 CB GLU A 104 -11.955 -8.888 -2.529 1.00 0.00 C ATOM 1723 CG GLU A 104 -10.599 -8.373 -3.015 1.00 0.00 C ATOM 1724 CD GLU A 104 -9.714 -9.557 -3.408 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -10.261 -10.602 -3.719 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -8.505 -9.397 -3.393 1.00 0.00 O ATOM 0 H GLU A 104 -11.861 -6.608 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.147 -7.692 -3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.908 -9.117 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.209 -9.814 -3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.735 -7.708 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.117 -7.790 -2.230 1.00 0.00 H new ATOM 1733 N GLY A 105 -14.871 -7.554 -1.236 1.00 0.00 N ATOM 1734 CA GLY A 105 -16.161 -7.940 -0.599 1.00 0.00 C ATOM 1735 C GLY A 105 -16.959 -6.679 -0.285 1.00 0.00 C ATOM 1736 O GLY A 105 -17.845 -6.677 0.548 1.00 0.00 O ATOM 0 H GLY A 105 -14.451 -6.697 -0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -16.730 -8.589 -1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -15.975 -8.505 0.315 1.00 0.00 H new ATOM 1740 N LEU A 106 -16.644 -5.606 -0.948 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.367 -4.329 -0.703 1.00 0.00 C ATOM 1742 C LEU A 106 -18.600 -4.271 -1.596 1.00 0.00 C ATOM 1743 O LEU A 106 -18.805 -3.334 -2.342 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.446 -3.150 -1.019 1.00 0.00 C ATOM 1745 CG LEU A 106 -16.467 -2.158 0.142 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -15.399 -1.086 -0.085 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -17.844 -1.496 0.223 1.00 0.00 C ATOM 0 H LEU A 106 -15.911 -5.557 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 106 -17.672 -4.275 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.430 -3.505 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.770 -2.658 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.262 -2.685 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -15.413 -0.377 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -14.418 -1.557 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -15.605 -0.559 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -17.859 -0.788 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -18.050 -0.969 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -18.606 -2.259 0.384 1.00 0.00 H new