USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 635 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 Single : A 26 SER OG : rot 180:sc=-0.00695 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 K(o=0,f=-1) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.11 (180deg=-0.5) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 40:sc= 0.396 USER MOD Single : A 51 SER OG : rot -177:sc= 1.38 USER MOD Single : A 52 SER OG : rot -170:sc= -2.23 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc=-0.00298 X(o=-0.003,f=-0.14) USER MOD Single : A 91 TYR OH : rot 62:sc= 1.15 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0331 USER MOD Single : A 94 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=-0.17) USER MOD Single : A 98 LYS NZ :NH3+ -124:sc= -8.92! (180deg=-13.5!) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.354 10.378 -6.594 1.00 0.00 N ATOM 28 CA LEU A 23 -6.365 8.958 -6.271 1.00 0.00 C ATOM 29 C LEU A 23 -6.187 8.751 -4.773 1.00 0.00 C ATOM 30 O LEU A 23 -5.340 9.381 -4.147 1.00 0.00 O ATOM 31 CB LEU A 23 -5.292 8.230 -7.078 1.00 0.00 C ATOM 32 CG LEU A 23 -5.309 8.574 -8.568 1.00 0.00 C ATOM 33 CD1 LEU A 23 -4.055 9.338 -8.965 1.00 0.00 C ATOM 34 CD2 LEU A 23 -5.469 7.314 -9.403 1.00 0.00 C ATOM 0 HA LEU A 23 -7.332 8.534 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.312 8.475 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.427 7.155 -6.960 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.165 9.221 -8.760 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.092 9.570 -10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.997 10.264 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.176 8.728 -8.757 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.479 7.577 -10.461 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.637 6.638 -9.205 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.406 6.822 -9.143 1.00 0.00 H new ATOM 46 N ARG A 24 -7.020 7.887 -4.199 1.00 0.00 N ATOM 47 CA ARG A 24 -6.979 7.620 -2.767 1.00 0.00 C ATOM 48 C ARG A 24 -6.348 6.265 -2.464 1.00 0.00 C ATOM 49 O ARG A 24 -6.782 5.233 -2.975 1.00 0.00 O ATOM 50 CB ARG A 24 -8.396 7.693 -2.185 1.00 0.00 C ATOM 51 CG ARG A 24 -8.515 7.152 -0.767 1.00 0.00 C ATOM 52 CD ARG A 24 -9.277 8.111 0.136 1.00 0.00 C ATOM 53 NE ARG A 24 -10.324 7.434 0.896 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.515 7.112 0.394 1.00 0.00 C ATOM 55 NH1 ARG A 24 -11.812 7.402 -0.867 1.00 0.00 N ATOM 56 NH2 ARG A 24 -12.411 6.499 1.155 1.00 0.00 N ATOM 0 H ARG A 24 -7.732 7.360 -4.705 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.356 8.382 -2.299 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.728 8.731 -2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.072 7.135 -2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.023 6.188 -0.786 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.519 6.979 -0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.581 8.590 0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.722 8.902 -0.468 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.132 7.194 1.868 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.127 7.874 -1.457 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.726 7.153 -1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.188 6.274 2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.323 6.252 0.771 1.00 0.00 H new ATOM 70 N LEU A 25 -5.323 6.286 -1.620 1.00 0.00 N ATOM 71 CA LEU A 25 -4.621 5.081 -1.226 1.00 0.00 C ATOM 72 C LEU A 25 -5.262 4.465 0.011 1.00 0.00 C ATOM 73 O LEU A 25 -5.695 5.177 0.917 1.00 0.00 O ATOM 74 CB LEU A 25 -3.166 5.409 -0.930 1.00 0.00 C ATOM 75 CG LEU A 25 -2.220 4.221 -0.967 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.771 4.678 -0.937 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.505 3.288 0.191 1.00 0.00 C ATOM 0 H LEU A 25 -4.960 7.138 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.679 4.364 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.822 6.151 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.107 5.871 0.055 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.384 3.683 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.115 3.808 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.571 5.311 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.587 5.243 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.820 2.441 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.369 3.823 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.532 2.928 0.124 1.00 0.00 H new ATOM 89 N SER A 26 -5.311 3.142 0.048 1.00 0.00 N ATOM 90 CA SER A 26 -5.891 2.432 1.184 1.00 0.00 C ATOM 91 C SER A 26 -5.097 1.170 1.489 1.00 0.00 C ATOM 92 O SER A 26 -4.754 0.418 0.588 1.00 0.00 O ATOM 93 CB SER A 26 -7.351 2.076 0.898 1.00 0.00 C ATOM 94 OG SER A 26 -8.013 3.136 0.230 1.00 0.00 O ATOM 0 H SER A 26 -4.957 2.537 -0.693 1.00 0.00 H new ATOM 0 HA SER A 26 -5.851 3.087 2.054 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.396 1.174 0.288 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.865 1.855 1.834 1.00 0.00 H new ATOM 0 HG SER A 26 -8.944 2.883 0.057 1.00 0.00 H new ATOM 100 N VAL A 27 -4.810 0.933 2.762 1.00 0.00 N ATOM 101 CA VAL A 27 -4.063 -0.254 3.153 1.00 0.00 C ATOM 102 C VAL A 27 -4.879 -1.119 4.094 1.00 0.00 C ATOM 103 O VAL A 27 -5.500 -0.620 5.033 1.00 0.00 O ATOM 104 CB VAL A 27 -2.711 0.094 3.815 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.807 0.072 5.334 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.638 -0.855 3.339 1.00 0.00 C ATOM 0 H VAL A 27 -5.080 1.541 3.535 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.856 -0.806 2.236 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.445 1.109 3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.837 0.322 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.548 0.801 5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.105 -0.923 5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.690 -0.599 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.912 -1.876 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.536 -0.775 2.257 1.00 0.00 H new ATOM 116 N PHE A 28 -4.883 -2.415 3.836 1.00 0.00 N ATOM 117 CA PHE A 28 -5.630 -3.337 4.656 1.00 0.00 C ATOM 118 C PHE A 28 -4.756 -4.431 5.248 1.00 0.00 C ATOM 119 O PHE A 28 -3.975 -5.077 4.551 1.00 0.00 O ATOM 120 CB PHE A 28 -6.765 -3.955 3.855 1.00 0.00 C ATOM 121 CG PHE A 28 -8.016 -4.000 4.655 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.574 -2.824 5.116 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.608 -5.203 4.985 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.708 -2.843 5.890 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.742 -5.234 5.766 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.296 -4.053 6.221 1.00 0.00 C ATOM 0 H PHE A 28 -4.376 -2.847 3.064 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.038 -2.763 5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.931 -3.377 2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.490 -4.963 3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.114 -1.880 4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.178 -6.127 4.628 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.140 -1.917 6.240 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.197 -6.179 6.022 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.185 -4.073 6.833 1.00 0.00 H new ATOM 136 N ARG A 29 -4.928 -4.642 6.545 1.00 0.00 N ATOM 137 CA ARG A 29 -4.198 -5.668 7.270 1.00 0.00 C ATOM 138 C ARG A 29 -5.150 -6.389 8.211 1.00 0.00 C ATOM 139 O ARG A 29 -5.746 -5.775 9.096 1.00 0.00 O ATOM 140 CB ARG A 29 -3.036 -5.055 8.055 1.00 0.00 C ATOM 141 CG ARG A 29 -1.727 -5.043 7.281 1.00 0.00 C ATOM 142 CD ARG A 29 -0.687 -5.953 7.916 1.00 0.00 C ATOM 143 NE ARG A 29 0.601 -5.873 7.231 1.00 0.00 N ATOM 144 CZ ARG A 29 1.519 -6.837 7.258 1.00 0.00 C ATOM 145 NH1 ARG A 29 1.305 -7.949 7.950 1.00 0.00 N ATOM 146 NH2 ARG A 29 2.657 -6.686 6.594 1.00 0.00 N ATOM 0 H ARG A 29 -5.577 -4.107 7.122 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.782 -6.380 6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.294 -4.034 8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.898 -5.613 8.981 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.909 -5.360 6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.340 -4.025 7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.558 -5.681 8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.045 -6.982 7.896 1.00 0.00 H new ATOM 0 HE ARG A 29 0.810 -5.027 6.700 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.433 -8.069 8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.012 -8.684 7.966 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.828 -5.832 6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.361 -7.424 6.614 1.00 0.00 H new ATOM 160 N SER A 30 -5.309 -7.688 8.004 1.00 0.00 N ATOM 161 CA SER A 30 -6.216 -8.478 8.832 1.00 0.00 C ATOM 162 C SER A 30 -5.495 -9.033 10.057 1.00 0.00 C ATOM 163 O SER A 30 -6.054 -9.077 11.153 1.00 0.00 O ATOM 164 CB SER A 30 -6.813 -9.626 8.015 1.00 0.00 C ATOM 165 OG SER A 30 -8.011 -9.226 7.372 1.00 0.00 O ATOM 0 H SER A 30 -4.827 -8.216 7.277 1.00 0.00 H new ATOM 0 HA SER A 30 -7.019 -7.824 9.172 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.091 -9.960 7.270 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.013 -10.475 8.668 1.00 0.00 H new ATOM 0 HG SER A 30 -8.371 -9.977 6.855 1.00 0.00 H new ATOM 171 N LEU A 31 -4.252 -9.451 9.859 1.00 0.00 N ATOM 172 CA LEU A 31 -3.437 -10.003 10.937 1.00 0.00 C ATOM 173 C LEU A 31 -2.065 -10.388 10.402 1.00 0.00 C ATOM 174 O LEU A 31 -1.039 -9.882 10.857 1.00 0.00 O ATOM 175 CB LEU A 31 -4.120 -11.225 11.557 1.00 0.00 C ATOM 176 CG LEU A 31 -3.354 -11.879 12.709 1.00 0.00 C ATOM 177 CD1 LEU A 31 -4.315 -12.373 13.779 1.00 0.00 C ATOM 178 CD2 LEU A 31 -2.494 -13.024 12.194 1.00 0.00 C ATOM 0 H LEU A 31 -3.782 -9.418 8.955 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.321 -9.243 11.710 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.105 -10.928 11.918 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.278 -11.969 10.776 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.700 -11.130 13.156 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.751 -12.835 14.589 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.889 -11.532 14.169 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.995 -13.107 13.346 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.956 -13.478 13.026 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.130 -13.773 11.721 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.779 -12.643 11.465 1.00 0.00 H new ATOM 190 N LYS A 32 -2.064 -11.274 9.414 1.00 0.00 N ATOM 191 CA LYS A 32 -0.832 -11.724 8.782 1.00 0.00 C ATOM 192 C LYS A 32 -0.840 -11.370 7.295 1.00 0.00 C ATOM 193 O LYS A 32 0.078 -11.728 6.556 1.00 0.00 O ATOM 194 CB LYS A 32 -0.661 -13.235 8.963 1.00 0.00 C ATOM 195 CG LYS A 32 0.608 -13.621 9.706 1.00 0.00 C ATOM 196 CD LYS A 32 0.739 -15.130 9.836 1.00 0.00 C ATOM 197 CE LYS A 32 1.787 -15.511 10.870 1.00 0.00 C ATOM 198 NZ LYS A 32 2.523 -16.747 10.485 1.00 0.00 N ATOM 0 H LYS A 32 -2.910 -11.697 9.031 1.00 0.00 H new ATOM 0 HA LYS A 32 0.007 -11.218 9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.522 -13.627 9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.657 -13.711 7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.475 -13.223 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.603 -13.168 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.224 -15.557 10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.007 -15.558 8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.494 -14.690 10.990 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.306 -15.661 11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.228 -16.973 11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.852 -17.537 10.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.003 -16.596 9.575 1.00 0.00 H new ATOM 212 N HIS A 33 -1.888 -10.667 6.863 1.00 0.00 N ATOM 213 CA HIS A 33 -2.026 -10.267 5.470 1.00 0.00 C ATOM 214 C HIS A 33 -1.877 -8.756 5.318 1.00 0.00 C ATOM 215 O HIS A 33 -2.131 -7.998 6.253 1.00 0.00 O ATOM 216 CB HIS A 33 -3.388 -10.704 4.928 1.00 0.00 C ATOM 217 CG HIS A 33 -3.450 -12.148 4.538 1.00 0.00 C ATOM 218 ND1 HIS A 33 -2.660 -13.121 5.115 1.00 0.00 N ATOM 219 CD2 HIS A 33 -4.220 -12.785 3.624 1.00 0.00 C ATOM 220 CE1 HIS A 33 -2.942 -14.293 4.572 1.00 0.00 C ATOM 221 NE2 HIS A 33 -3.885 -14.115 3.666 1.00 0.00 N ATOM 0 H HIS A 33 -2.654 -10.364 7.464 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.235 -10.754 4.900 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.149 -10.509 5.684 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.636 -10.092 4.061 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.960 -12.331 2.982 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.480 -15.235 4.826 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.298 -14.848 3.090 1.00 0.00 H new ATOM 230 N ILE A 34 -1.470 -8.330 4.129 1.00 0.00 N ATOM 231 CA ILE A 34 -1.290 -6.918 3.835 1.00 0.00 C ATOM 232 C ILE A 34 -1.760 -6.621 2.413 1.00 0.00 C ATOM 233 O ILE A 34 -1.297 -7.247 1.460 1.00 0.00 O ATOM 234 CB ILE A 34 0.191 -6.508 3.984 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.419 -5.082 3.480 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.085 -7.487 3.236 1.00 0.00 C ATOM 237 CD1 ILE A 34 -0.353 -4.041 4.254 1.00 0.00 C ATOM 0 H ILE A 34 -1.257 -8.950 3.348 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.883 -6.343 4.546 1.00 0.00 H new ATOM 0 HB ILE A 34 0.448 -6.535 5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.483 -4.851 3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.136 -5.027 2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.127 -7.187 3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.949 -8.489 3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.820 -7.487 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.144 -3.053 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.420 -4.248 4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.052 -4.069 5.301 1.00 0.00 H new ATOM 249 N TYR A 35 -2.694 -5.687 2.270 1.00 0.00 N ATOM 250 CA TYR A 35 -3.225 -5.354 0.953 1.00 0.00 C ATOM 251 C TYR A 35 -3.424 -3.850 0.769 1.00 0.00 C ATOM 252 O TYR A 35 -4.329 -3.262 1.359 1.00 0.00 O ATOM 253 CB TYR A 35 -4.570 -6.062 0.743 1.00 0.00 C ATOM 254 CG TYR A 35 -4.457 -7.554 0.515 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.993 -8.398 1.515 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.814 -8.117 -0.705 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.886 -9.760 1.308 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.711 -9.478 -0.920 1.00 0.00 C ATOM 259 CZ TYR A 35 -4.247 -10.295 0.089 1.00 0.00 C ATOM 260 OH TYR A 35 -4.143 -11.651 -0.121 1.00 0.00 O ATOM 0 H TYR A 35 -3.095 -5.152 3.040 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.493 -5.689 0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.201 -5.886 1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.075 -5.612 -0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.711 -7.983 2.471 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.178 -7.480 -1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.522 -10.402 2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.993 -9.900 -1.874 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.438 -11.865 -1.031 1.00 0.00 H new ATOM 270 N ALA A 36 -2.610 -3.237 -0.088 1.00 0.00 N ATOM 271 CA ALA A 36 -2.746 -1.814 -0.377 1.00 0.00 C ATOM 272 C ALA A 36 -3.484 -1.635 -1.693 1.00 0.00 C ATOM 273 O ALA A 36 -3.052 -2.127 -2.736 1.00 0.00 O ATOM 274 CB ALA A 36 -1.393 -1.114 -0.428 1.00 0.00 C ATOM 0 H ALA A 36 -1.854 -3.702 -0.591 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.316 -1.355 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.539 -0.056 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.892 -1.221 0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.780 -1.564 -1.209 1.00 0.00 H new ATOM 280 N GLN A 37 -4.599 -0.936 -1.631 1.00 0.00 N ATOM 281 CA GLN A 37 -5.419 -0.685 -2.801 1.00 0.00 C ATOM 282 C GLN A 37 -5.346 0.778 -3.191 1.00 0.00 C ATOM 283 O GLN A 37 -5.820 1.654 -2.467 1.00 0.00 O ATOM 284 CB GLN A 37 -6.872 -1.079 -2.534 1.00 0.00 C ATOM 285 CG GLN A 37 -7.635 -1.477 -3.787 1.00 0.00 C ATOM 286 CD GLN A 37 -8.437 -2.750 -3.603 1.00 0.00 C ATOM 287 OE1 GLN A 37 -9.665 -2.717 -3.512 1.00 0.00 O ATOM 288 NE2 GLN A 37 -7.746 -3.882 -3.547 1.00 0.00 N ATOM 0 H GLN A 37 -4.963 -0.526 -0.771 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.037 -1.291 -3.622 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.891 -1.910 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.384 -0.244 -2.057 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.307 -0.667 -4.071 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.932 -1.611 -4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.729 -3.863 -3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.232 -4.770 -3.424 1.00 0.00 H new ATOM 297 N ILE A 38 -4.759 1.033 -4.344 1.00 0.00 N ATOM 298 CA ILE A 38 -4.630 2.385 -4.846 1.00 0.00 C ATOM 299 C ILE A 38 -5.793 2.672 -5.785 1.00 0.00 C ATOM 300 O ILE A 38 -5.823 2.196 -6.923 1.00 0.00 O ATOM 301 CB ILE A 38 -3.282 2.597 -5.565 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.192 1.671 -4.967 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.874 4.061 -5.481 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.353 2.287 -3.870 1.00 0.00 C ATOM 0 H ILE A 38 -4.362 0.317 -4.953 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.654 3.079 -4.006 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.395 2.334 -6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.674 0.776 -4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.530 1.350 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.921 4.203 -5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.636 4.679 -5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.773 4.351 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.621 1.559 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.835 3.165 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.997 2.582 -3.042 1.00 0.00 H new ATOM 316 N ILE A 39 -6.779 3.402 -5.270 1.00 0.00 N ATOM 317 CA ILE A 39 -7.995 3.705 -6.026 1.00 0.00 C ATOM 318 C ILE A 39 -8.044 5.139 -6.541 1.00 0.00 C ATOM 319 O ILE A 39 -7.318 6.013 -6.072 1.00 0.00 O ATOM 320 CB ILE A 39 -9.244 3.473 -5.149 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.126 2.154 -4.385 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.509 3.493 -5.991 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.604 2.328 -2.977 1.00 0.00 C ATOM 0 H ILE A 39 -6.761 3.797 -4.330 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.983 3.034 -6.885 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.307 4.286 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.104 1.675 -4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.463 1.483 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.375 3.327 -5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.602 4.460 -6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.458 2.706 -6.743 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.544 1.355 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.613 2.780 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.279 2.974 -2.416 1.00 0.00 H new ATOM 335 N ASP A 40 -8.945 5.365 -7.495 1.00 0.00 N ATOM 336 CA ASP A 40 -9.160 6.680 -8.076 1.00 0.00 C ATOM 337 C ASP A 40 -10.303 7.363 -7.336 1.00 0.00 C ATOM 338 O ASP A 40 -11.450 6.896 -7.387 1.00 0.00 O ATOM 339 CB ASP A 40 -9.493 6.567 -9.567 1.00 0.00 C ATOM 340 CG ASP A 40 -8.719 7.561 -10.410 1.00 0.00 C ATOM 341 OD1 ASP A 40 -8.658 8.747 -10.024 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.174 7.154 -11.457 1.00 0.00 O ATOM 0 H ASP A 40 -9.545 4.638 -7.884 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.248 7.269 -7.978 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.273 5.556 -9.910 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.561 6.727 -9.711 1.00 0.00 H new ATOM 347 N ASP A 41 -9.961 8.447 -6.633 1.00 0.00 N ATOM 348 CA ASP A 41 -10.917 9.216 -5.834 1.00 0.00 C ATOM 349 C ASP A 41 -11.552 10.357 -6.627 1.00 0.00 C ATOM 350 O ASP A 41 -12.036 11.332 -6.052 1.00 0.00 O ATOM 351 CB ASP A 41 -10.227 9.776 -4.589 1.00 0.00 C ATOM 352 CG ASP A 41 -11.211 10.120 -3.487 1.00 0.00 C ATOM 353 OD1 ASP A 41 -11.707 9.187 -2.821 1.00 0.00 O ATOM 354 OD2 ASP A 41 -11.486 11.323 -3.292 1.00 0.00 O ATOM 0 H ASP A 41 -9.011 8.816 -6.603 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.716 8.534 -5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.509 9.046 -4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.663 10.668 -4.860 1.00 0.00 H new ATOM 359 N GLU A 42 -11.597 10.199 -7.938 1.00 0.00 N ATOM 360 CA GLU A 42 -12.230 11.176 -8.819 1.00 0.00 C ATOM 361 C GLU A 42 -13.483 10.505 -9.327 1.00 0.00 C ATOM 362 O GLU A 42 -14.596 11.022 -9.234 1.00 0.00 O ATOM 363 CB GLU A 42 -11.304 11.558 -9.978 1.00 0.00 C ATOM 364 CG GLU A 42 -11.982 12.388 -11.055 1.00 0.00 C ATOM 365 CD GLU A 42 -10.991 13.112 -11.944 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.417 14.125 -11.491 1.00 0.00 O ATOM 367 OE2 GLU A 42 -10.788 12.666 -13.093 1.00 0.00 O ATOM 0 H GLU A 42 -11.199 9.395 -8.424 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.453 12.104 -8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.454 12.115 -9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.907 10.648 -10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.608 11.739 -11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.642 13.117 -10.585 1.00 0.00 H new ATOM 374 N LYS A 43 -13.256 9.284 -9.767 1.00 0.00 N ATOM 375 CA LYS A 43 -14.286 8.385 -10.202 1.00 0.00 C ATOM 376 C LYS A 43 -13.927 7.056 -9.572 1.00 0.00 C ATOM 377 O LYS A 43 -12.844 6.533 -9.827 1.00 0.00 O ATOM 378 CB LYS A 43 -14.315 8.274 -11.728 1.00 0.00 C ATOM 379 CG LYS A 43 -15.233 9.287 -12.395 1.00 0.00 C ATOM 380 CD LYS A 43 -14.489 10.125 -13.423 1.00 0.00 C ATOM 381 CE LYS A 43 -15.398 11.165 -14.057 1.00 0.00 C ATOM 382 NZ LYS A 43 -16.050 12.030 -13.035 1.00 0.00 N ATOM 0 H LYS A 43 -12.319 8.886 -9.831 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.278 8.728 -9.908 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.303 8.404 -12.113 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.634 7.269 -12.005 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.060 8.767 -12.879 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.667 9.940 -11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.644 10.621 -12.946 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.082 9.475 -14.198 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.818 11.785 -14.741 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.163 10.665 -14.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.436 12.879 -13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.821 11.504 -12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.349 12.312 -12.320 1.00 0.00 H new ATOM 396 N GLY A 44 -14.795 6.535 -8.717 1.00 0.00 N ATOM 397 CA GLY A 44 -14.492 5.288 -8.037 1.00 0.00 C ATOM 398 C GLY A 44 -13.865 4.264 -8.956 1.00 0.00 C ATOM 399 O GLY A 44 -14.570 3.490 -9.604 1.00 0.00 O ATOM 0 H GLY A 44 -15.698 6.948 -8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.816 5.487 -7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.408 4.878 -7.613 1.00 0.00 H new ATOM 403 N VAL A 45 -12.534 4.276 -9.043 1.00 0.00 N ATOM 404 CA VAL A 45 -11.843 3.347 -9.935 1.00 0.00 C ATOM 405 C VAL A 45 -10.593 2.735 -9.307 1.00 0.00 C ATOM 406 O VAL A 45 -9.596 3.418 -9.103 1.00 0.00 O ATOM 407 CB VAL A 45 -11.435 4.062 -11.240 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.706 3.110 -12.178 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.655 4.666 -11.924 1.00 0.00 C ATOM 0 H VAL A 45 -11.925 4.904 -8.519 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.548 2.541 -10.138 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.750 4.870 -10.984 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.429 3.639 -13.090 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.807 2.735 -11.689 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.359 2.274 -12.427 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.347 5.166 -12.842 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.367 3.876 -12.162 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.125 5.389 -11.257 1.00 0.00 H new ATOM 419 N THR A 46 -10.634 1.430 -9.048 1.00 0.00 N ATOM 420 CA THR A 46 -9.480 0.735 -8.488 1.00 0.00 C ATOM 421 C THR A 46 -8.432 0.532 -9.576 1.00 0.00 C ATOM 422 O THR A 46 -8.671 -0.177 -10.553 1.00 0.00 O ATOM 423 CB THR A 46 -9.895 -0.614 -7.894 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.134 -0.503 -7.217 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.884 -1.174 -6.914 1.00 0.00 C ATOM 0 H THR A 46 -11.447 0.837 -9.216 1.00 0.00 H new ATOM 0 HA THR A 46 -9.057 1.342 -7.687 1.00 0.00 H new ATOM 0 HB THR A 46 -9.968 -1.294 -8.743 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.383 -1.375 -6.846 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.240 -2.130 -6.531 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.929 -1.318 -7.419 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.755 -0.477 -6.086 1.00 0.00 H new ATOM 433 N LEU A 47 -7.280 1.177 -9.420 1.00 0.00 N ATOM 434 CA LEU A 47 -6.218 1.078 -10.414 1.00 0.00 C ATOM 435 C LEU A 47 -5.225 -0.028 -10.084 1.00 0.00 C ATOM 436 O LEU A 47 -5.041 -0.958 -10.868 1.00 0.00 O ATOM 437 CB LEU A 47 -5.479 2.410 -10.545 1.00 0.00 C ATOM 438 CG LEU A 47 -6.363 3.647 -10.460 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.530 4.097 -9.017 1.00 0.00 C ATOM 440 CD2 LEU A 47 -5.788 4.767 -11.311 1.00 0.00 C ATOM 0 H LEU A 47 -7.059 1.770 -8.620 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.693 0.830 -11.363 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.723 2.468 -9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.952 2.424 -11.499 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.349 3.391 -10.847 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.165 4.982 -8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.991 3.297 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.554 4.335 -8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.431 5.644 -11.240 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.789 5.019 -10.954 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.731 4.442 -12.350 1.00 0.00 H new ATOM 452 N VAL A 48 -4.565 0.084 -8.935 1.00 0.00 N ATOM 453 CA VAL A 48 -3.576 -0.906 -8.542 1.00 0.00 C ATOM 454 C VAL A 48 -3.874 -1.492 -7.165 1.00 0.00 C ATOM 455 O VAL A 48 -4.395 -0.811 -6.281 1.00 0.00 O ATOM 456 CB VAL A 48 -2.159 -0.289 -8.560 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.263 -0.914 -7.502 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.544 -0.433 -9.943 1.00 0.00 C ATOM 0 H VAL A 48 -4.697 0.844 -8.268 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.624 -1.719 -9.266 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.249 0.771 -8.323 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.275 -0.455 -7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.697 -0.751 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.174 -1.985 -7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.546 0.005 -9.945 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.477 -1.489 -10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.167 0.082 -10.674 1.00 0.00 H new ATOM 468 N SER A 49 -3.524 -2.762 -6.997 1.00 0.00 N ATOM 469 CA SER A 49 -3.730 -3.462 -5.737 1.00 0.00 C ATOM 470 C SER A 49 -2.665 -4.538 -5.548 1.00 0.00 C ATOM 471 O SER A 49 -2.603 -5.505 -6.307 1.00 0.00 O ATOM 472 CB SER A 49 -5.125 -4.087 -5.697 1.00 0.00 C ATOM 473 OG SER A 49 -5.333 -4.944 -6.805 1.00 0.00 O ATOM 0 H SER A 49 -3.093 -3.331 -7.725 1.00 0.00 H new ATOM 0 HA SER A 49 -3.647 -2.742 -4.923 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.249 -4.649 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.879 -3.300 -5.696 1.00 0.00 H new ATOM 0 HG SER A 49 -4.514 -5.452 -6.984 1.00 0.00 H new ATOM 479 N ALA A 50 -1.827 -4.360 -4.533 1.00 0.00 N ATOM 480 CA ALA A 50 -0.760 -5.314 -4.245 1.00 0.00 C ATOM 481 C ALA A 50 -0.841 -5.812 -2.809 1.00 0.00 C ATOM 482 O ALA A 50 -1.327 -5.109 -1.922 1.00 0.00 O ATOM 483 CB ALA A 50 0.605 -4.690 -4.509 1.00 0.00 C ATOM 0 H ALA A 50 -1.865 -3.565 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.890 -6.168 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.386 -5.417 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.672 -4.391 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.734 -3.814 -3.873 1.00 0.00 H new ATOM 489 N SER A 51 -0.359 -7.027 -2.586 1.00 0.00 N ATOM 490 CA SER A 51 -0.370 -7.622 -1.258 1.00 0.00 C ATOM 491 C SER A 51 0.796 -8.585 -1.085 1.00 0.00 C ATOM 492 O SER A 51 0.992 -9.490 -1.896 1.00 0.00 O ATOM 493 CB SER A 51 -1.690 -8.351 -1.016 1.00 0.00 C ATOM 494 OG SER A 51 -1.932 -9.320 -2.022 1.00 0.00 O ATOM 0 H SER A 51 0.045 -7.621 -3.310 1.00 0.00 H new ATOM 0 HA SER A 51 -0.266 -6.821 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.668 -8.835 -0.039 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.508 -7.631 -0.997 1.00 0.00 H new ATOM 0 HG SER A 51 -2.805 -9.739 -1.869 1.00 0.00 H new ATOM 500 N SER A 52 1.569 -8.386 -0.024 1.00 0.00 N ATOM 501 CA SER A 52 2.720 -9.244 0.253 1.00 0.00 C ATOM 502 C SER A 52 2.314 -10.717 0.267 1.00 0.00 C ATOM 503 O SER A 52 3.132 -11.600 0.013 1.00 0.00 O ATOM 504 CB SER A 52 3.357 -8.871 1.592 1.00 0.00 C ATOM 505 OG SER A 52 3.601 -7.478 1.672 1.00 0.00 O ATOM 0 H SER A 52 1.423 -7.642 0.658 1.00 0.00 H new ATOM 0 HA SER A 52 3.449 -9.091 -0.543 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.701 -9.175 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.293 -9.415 1.716 1.00 0.00 H new ATOM 0 HG SER A 52 4.147 -7.286 2.463 1.00 0.00 H new ATOM 679 N GLU A 63 8.545 -6.679 7.362 1.00 0.00 N ATOM 680 CA GLU A 63 9.796 -6.876 6.643 1.00 0.00 C ATOM 681 C GLU A 63 9.602 -6.659 5.147 1.00 0.00 C ATOM 682 O GLU A 63 10.424 -6.019 4.491 1.00 0.00 O ATOM 683 CB GLU A 63 10.341 -8.283 6.902 1.00 0.00 C ATOM 684 CG GLU A 63 11.853 -8.331 7.048 1.00 0.00 C ATOM 685 CD GLU A 63 12.374 -9.740 7.257 1.00 0.00 C ATOM 686 OE1 GLU A 63 11.987 -10.637 6.480 1.00 0.00 O ATOM 687 OE2 GLU A 63 13.169 -9.945 8.198 1.00 0.00 O ATOM 0 HA GLU A 63 10.516 -6.143 7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.884 -8.680 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.042 -8.936 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.314 -7.906 6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.153 -7.708 7.891 1.00 0.00 H new ATOM 694 N VAL A 64 8.510 -7.197 4.611 1.00 0.00 N ATOM 695 CA VAL A 64 8.215 -7.059 3.190 1.00 0.00 C ATOM 696 C VAL A 64 7.301 -5.874 2.917 1.00 0.00 C ATOM 697 O VAL A 64 7.314 -5.330 1.819 1.00 0.00 O ATOM 698 CB VAL A 64 7.555 -8.327 2.614 1.00 0.00 C ATOM 699 CG1 VAL A 64 7.127 -8.103 1.165 1.00 0.00 C ATOM 700 CG2 VAL A 64 8.501 -9.514 2.721 1.00 0.00 C ATOM 0 H VAL A 64 7.818 -7.730 5.137 1.00 0.00 H new ATOM 0 HA VAL A 64 9.175 -6.898 2.700 1.00 0.00 H new ATOM 0 HB VAL A 64 6.662 -8.547 3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.664 -9.011 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.411 -7.282 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.001 -7.856 0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.019 -10.401 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.413 -9.304 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.749 -9.688 3.768 1.00 0.00 H new ATOM 710 N ALA A 65 6.493 -5.492 3.905 1.00 0.00 N ATOM 711 CA ALA A 65 5.556 -4.378 3.742 1.00 0.00 C ATOM 712 C ALA A 65 6.114 -3.305 2.811 1.00 0.00 C ATOM 713 O ALA A 65 5.404 -2.777 1.963 1.00 0.00 O ATOM 714 CB ALA A 65 5.197 -3.780 5.087 1.00 0.00 C ATOM 0 H ALA A 65 6.467 -5.934 4.824 1.00 0.00 H new ATOM 0 HA ALA A 65 4.650 -4.775 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.500 -2.954 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.732 -4.543 5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.100 -3.412 5.574 1.00 0.00 H new ATOM 720 N ARG A 66 7.398 -3.016 2.947 1.00 0.00 N ATOM 721 CA ARG A 66 8.042 -2.037 2.083 1.00 0.00 C ATOM 722 C ARG A 66 8.068 -2.571 0.677 1.00 0.00 C ATOM 723 O ARG A 66 7.490 -1.994 -0.237 1.00 0.00 O ATOM 724 CB ARG A 66 9.459 -1.761 2.542 1.00 0.00 C ATOM 725 CG ARG A 66 9.734 -0.290 2.696 1.00 0.00 C ATOM 726 CD ARG A 66 10.958 0.129 1.923 1.00 0.00 C ATOM 727 NE ARG A 66 12.127 -0.684 2.254 1.00 0.00 N ATOM 728 CZ ARG A 66 12.895 -0.480 3.322 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.622 0.508 4.165 1.00 0.00 N ATOM 730 NH2 ARG A 66 13.939 -1.266 3.547 1.00 0.00 N ATOM 0 H ARG A 66 8.012 -3.441 3.642 1.00 0.00 H new ATOM 0 HA ARG A 66 7.479 -1.105 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.634 -2.263 3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.160 -2.186 1.824 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.872 0.280 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.871 -0.053 3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.755 0.052 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.176 1.177 2.131 1.00 0.00 H new ATOM 0 HE ARG A 66 12.369 -1.453 1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.820 1.116 3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.214 0.660 4.982 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.153 -2.026 2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.528 -1.110 4.365 1.00 0.00 H new ATOM 744 N GLN A 67 8.721 -3.706 0.531 1.00 0.00 N ATOM 745 CA GLN A 67 8.802 -4.379 -0.753 1.00 0.00 C ATOM 746 C GLN A 67 7.407 -4.461 -1.367 1.00 0.00 C ATOM 747 O GLN A 67 7.246 -4.484 -2.591 1.00 0.00 O ATOM 748 CB GLN A 67 9.387 -5.783 -0.587 1.00 0.00 C ATOM 749 CG GLN A 67 10.901 -5.830 -0.709 1.00 0.00 C ATOM 750 CD GLN A 67 11.469 -7.200 -0.391 1.00 0.00 C ATOM 751 OE1 GLN A 67 11.326 -8.140 -1.172 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.118 -7.318 0.761 1.00 0.00 N ATOM 0 H GLN A 67 9.206 -4.185 1.289 1.00 0.00 H new ATOM 0 HA GLN A 67 9.458 -3.812 -1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.097 -6.175 0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.950 -6.441 -1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.189 -5.547 -1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.339 -5.094 -0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.212 -6.511 1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.522 -8.215 1.029 1.00 0.00 H new ATOM 761 N VAL A 68 6.386 -4.470 -0.507 1.00 0.00 N ATOM 762 CA VAL A 68 5.023 -4.511 -1.000 1.00 0.00 C ATOM 763 C VAL A 68 4.631 -3.131 -1.496 1.00 0.00 C ATOM 764 O VAL A 68 3.928 -2.991 -2.496 1.00 0.00 O ATOM 765 CB VAL A 68 3.997 -5.036 0.046 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.375 -3.930 0.896 1.00 0.00 C ATOM 767 CG2 VAL A 68 2.904 -5.802 -0.673 1.00 0.00 C ATOM 0 H VAL A 68 6.480 -4.450 0.508 1.00 0.00 H new ATOM 0 HA VAL A 68 4.996 -5.229 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 68 4.543 -5.683 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.670 -4.367 1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.159 -3.406 1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.851 -3.226 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.181 -6.173 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.402 -5.142 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.342 -6.643 -1.211 1.00 0.00 H new ATOM 777 N GLY A 69 5.122 -2.108 -0.795 1.00 0.00 N ATOM 778 CA GLY A 69 4.841 -0.748 -1.185 1.00 0.00 C ATOM 779 C GLY A 69 5.627 -0.357 -2.411 1.00 0.00 C ATOM 780 O GLY A 69 5.177 0.463 -3.190 1.00 0.00 O ATOM 0 H GLY A 69 5.708 -2.205 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.775 -0.637 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.085 -0.074 -0.364 1.00 0.00 H new ATOM 784 N ARG A 70 6.808 -0.950 -2.588 1.00 0.00 N ATOM 785 CA ARG A 70 7.622 -0.648 -3.755 1.00 0.00 C ATOM 786 C ARG A 70 6.931 -1.225 -4.971 1.00 0.00 C ATOM 787 O ARG A 70 6.924 -0.619 -6.036 1.00 0.00 O ATOM 788 CB ARG A 70 9.048 -1.196 -3.612 1.00 0.00 C ATOM 789 CG ARG A 70 9.141 -2.708 -3.679 1.00 0.00 C ATOM 790 CD ARG A 70 9.396 -3.195 -5.095 1.00 0.00 C ATOM 791 NE ARG A 70 9.446 -4.654 -5.168 1.00 0.00 N ATOM 792 CZ ARG A 70 9.218 -5.351 -6.280 1.00 0.00 C ATOM 793 NH1 ARG A 70 8.936 -4.730 -7.417 1.00 0.00 N ATOM 794 NH2 ARG A 70 9.276 -6.676 -6.253 1.00 0.00 N ATOM 0 H ARG A 70 7.214 -1.631 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 70 7.721 0.432 -3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.670 -0.769 -4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.461 -0.859 -2.661 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.943 -3.052 -3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.216 -3.146 -3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.610 -2.825 -5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.337 -2.781 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 70 9.669 -5.169 -4.316 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.892 -3.711 -7.445 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.763 -5.271 -8.264 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.495 -7.159 -5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.102 -7.212 -7.103 1.00 0.00 H new ATOM 808 N ALA A 71 6.304 -2.384 -4.789 1.00 0.00 N ATOM 809 CA ALA A 71 5.557 -3.004 -5.867 1.00 0.00 C ATOM 810 C ALA A 71 4.260 -2.235 -6.077 1.00 0.00 C ATOM 811 O ALA A 71 3.823 -2.025 -7.205 1.00 0.00 O ATOM 812 CB ALA A 71 5.262 -4.459 -5.557 1.00 0.00 C ATOM 0 H ALA A 71 6.301 -2.905 -3.912 1.00 0.00 H new ATOM 0 HA ALA A 71 6.155 -2.974 -6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.701 -4.900 -6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.199 -5.000 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.673 -4.524 -4.642 1.00 0.00 H new ATOM 818 N LEU A 72 3.666 -1.792 -4.970 1.00 0.00 N ATOM 819 CA LEU A 72 2.432 -1.017 -5.016 1.00 0.00 C ATOM 820 C LEU A 72 2.697 0.313 -5.694 1.00 0.00 C ATOM 821 O LEU A 72 1.918 0.776 -6.522 1.00 0.00 O ATOM 822 CB LEU A 72 1.905 -0.760 -3.602 1.00 0.00 C ATOM 823 CG LEU A 72 1.289 -1.968 -2.901 1.00 0.00 C ATOM 824 CD1 LEU A 72 1.532 -1.901 -1.401 1.00 0.00 C ATOM 825 CD2 LEU A 72 -0.200 -2.043 -3.194 1.00 0.00 C ATOM 0 H LEU A 72 4.022 -1.958 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 72 1.687 -1.582 -5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.725 -0.386 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.157 0.031 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 72 1.767 -2.870 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.085 -2.771 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.604 -1.890 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.081 -0.993 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.627 -2.909 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.687 -1.136 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.355 -2.138 -4.269 1.00 0.00 H new ATOM 837 N ALA A 73 3.813 0.916 -5.317 1.00 0.00 N ATOM 838 CA ALA A 73 4.225 2.198 -5.857 1.00 0.00 C ATOM 839 C ALA A 73 4.770 2.048 -7.253 1.00 0.00 C ATOM 840 O ALA A 73 4.623 2.942 -8.078 1.00 0.00 O ATOM 841 CB ALA A 73 5.254 2.854 -4.953 1.00 0.00 C ATOM 0 H ALA A 73 4.458 0.529 -4.628 1.00 0.00 H new ATOM 0 HA ALA A 73 3.345 2.840 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.550 3.814 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.823 3.010 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.129 2.209 -4.870 1.00 0.00 H new ATOM 847 N GLU A 74 5.372 0.908 -7.525 1.00 0.00 N ATOM 848 CA GLU A 74 5.901 0.649 -8.842 1.00 0.00 C ATOM 849 C GLU A 74 4.735 0.329 -9.771 1.00 0.00 C ATOM 850 O GLU A 74 4.771 0.610 -10.969 1.00 0.00 O ATOM 851 CB GLU A 74 6.920 -0.485 -8.781 1.00 0.00 C ATOM 852 CG GLU A 74 8.286 -0.037 -8.286 1.00 0.00 C ATOM 853 CD GLU A 74 9.087 -1.170 -7.678 1.00 0.00 C ATOM 854 OE1 GLU A 74 9.073 -2.281 -8.249 1.00 0.00 O ATOM 855 OE2 GLU A 74 9.731 -0.947 -6.631 1.00 0.00 O ATOM 0 H GLU A 74 5.505 0.152 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 74 6.425 1.523 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.542 -1.269 -8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.026 -0.923 -9.773 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.846 0.394 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.159 0.752 -7.544 1.00 0.00 H new ATOM 862 N LYS A 75 3.679 -0.220 -9.173 1.00 0.00 N ATOM 863 CA LYS A 75 2.454 -0.547 -9.873 1.00 0.00 C ATOM 864 C LYS A 75 1.666 0.721 -10.127 1.00 0.00 C ATOM 865 O LYS A 75 1.513 1.168 -11.263 1.00 0.00 O ATOM 866 CB LYS A 75 1.626 -1.491 -9.012 1.00 0.00 C ATOM 867 CG LYS A 75 1.989 -2.927 -9.233 1.00 0.00 C ATOM 868 CD LYS A 75 0.819 -3.859 -8.973 1.00 0.00 C ATOM 869 CE LYS A 75 0.914 -4.471 -7.588 1.00 0.00 C ATOM 870 NZ LYS A 75 1.743 -5.707 -7.580 1.00 0.00 N ATOM 0 H LYS A 75 3.657 -0.450 -8.179 1.00 0.00 H new ATOM 0 HA LYS A 75 2.690 -1.025 -10.824 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.769 -1.240 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.568 -1.348 -9.233 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.336 -3.059 -10.258 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.818 -3.196 -8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.117 -3.310 -9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.804 -4.649 -9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.342 -3.743 -6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.087 -4.704 -7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.782 -6.093 -6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.321 -6.412 -8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.706 -5.481 -7.902 1.00 0.00 H new ATOM 884 N ALA A 76 1.180 1.297 -9.035 1.00 0.00 N ATOM 885 CA ALA A 76 0.408 2.540 -9.090 1.00 0.00 C ATOM 886 C ALA A 76 1.093 3.539 -10.007 1.00 0.00 C ATOM 887 O ALA A 76 0.451 4.236 -10.796 1.00 0.00 O ATOM 888 CB ALA A 76 0.250 3.150 -7.704 1.00 0.00 C ATOM 0 H ALA A 76 1.306 0.924 -8.094 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.582 2.303 -9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.327 4.072 -7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.270 2.446 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.234 3.369 -7.289 1.00 0.00 H new ATOM 894 N LEU A 77 2.413 3.588 -9.901 1.00 0.00 N ATOM 895 CA LEU A 77 3.210 4.476 -10.722 1.00 0.00 C ATOM 896 C LEU A 77 2.975 4.199 -12.199 1.00 0.00 C ATOM 897 O LEU A 77 2.908 5.117 -13.016 1.00 0.00 O ATOM 898 CB LEU A 77 4.690 4.305 -10.399 1.00 0.00 C ATOM 899 CG LEU A 77 5.254 5.249 -9.339 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.699 4.887 -9.029 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.150 6.695 -9.802 1.00 0.00 C ATOM 0 H LEU A 77 2.953 3.018 -9.250 1.00 0.00 H new ATOM 0 HA LEU A 77 2.909 5.501 -10.505 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.854 3.279 -10.069 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.261 4.439 -11.318 1.00 0.00 H new ATOM 0 HG LEU A 77 4.666 5.141 -8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.090 5.567 -8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.746 3.864 -8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.298 4.971 -9.936 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.557 7.353 -9.034 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.715 6.823 -10.726 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.104 6.946 -9.978 1.00 0.00 H new ATOM 913 N ALA A 78 2.848 2.921 -12.529 1.00 0.00 N ATOM 914 CA ALA A 78 2.614 2.500 -13.901 1.00 0.00 C ATOM 915 C ALA A 78 1.391 3.202 -14.486 1.00 0.00 C ATOM 916 O ALA A 78 1.273 3.358 -15.701 1.00 0.00 O ATOM 917 CB ALA A 78 2.461 0.995 -13.950 1.00 0.00 C ATOM 0 H ALA A 78 2.904 2.154 -11.859 1.00 0.00 H new ATOM 0 HA ALA A 78 3.471 2.783 -14.512 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.286 0.680 -14.979 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.371 0.524 -13.577 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.616 0.695 -13.330 1.00 0.00 H new ATOM 923 N LEU A 79 0.503 3.661 -13.607 1.00 0.00 N ATOM 924 CA LEU A 79 -0.685 4.388 -14.024 1.00 0.00 C ATOM 925 C LEU A 79 -0.350 5.870 -14.089 1.00 0.00 C ATOM 926 O LEU A 79 -0.964 6.637 -14.832 1.00 0.00 O ATOM 927 CB LEU A 79 -1.847 4.194 -13.036 1.00 0.00 C ATOM 928 CG LEU A 79 -1.757 3.009 -12.069 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.326 3.405 -10.714 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.501 1.806 -12.631 1.00 0.00 C ATOM 0 H LEU A 79 0.588 3.540 -12.598 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.994 4.006 -14.997 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.943 5.105 -12.445 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.766 4.090 -13.613 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.710 2.733 -11.944 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.260 2.559 -10.030 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.757 4.243 -10.311 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.370 3.697 -10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.427 0.973 -11.932 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.550 2.063 -12.779 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.060 1.519 -13.585 1.00 0.00 H new ATOM 942 N GLY A 80 0.624 6.257 -13.274 1.00 0.00 N ATOM 943 CA GLY A 80 1.047 7.633 -13.195 1.00 0.00 C ATOM 944 C GLY A 80 0.587 8.270 -11.903 1.00 0.00 C ATOM 945 O GLY A 80 0.520 9.494 -11.790 1.00 0.00 O ATOM 0 H GLY A 80 1.134 5.625 -12.657 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.133 7.687 -13.264 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.645 8.189 -14.042 1.00 0.00 H new ATOM 949 N ILE A 81 0.266 7.427 -10.922 1.00 0.00 N ATOM 950 CA ILE A 81 -0.195 7.900 -9.629 1.00 0.00 C ATOM 951 C ILE A 81 0.970 8.407 -8.805 1.00 0.00 C ATOM 952 O ILE A 81 1.765 7.635 -8.269 1.00 0.00 O ATOM 953 CB ILE A 81 -0.975 6.792 -8.874 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.382 6.613 -9.471 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.076 7.106 -7.386 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.535 7.125 -10.891 1.00 0.00 C ATOM 0 H ILE A 81 0.319 6.412 -11.004 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.882 8.730 -9.794 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.421 5.860 -8.992 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.639 5.554 -9.451 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.101 7.128 -8.834 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.628 6.312 -6.883 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.075 7.178 -6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.597 8.053 -7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.557 6.958 -11.230 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.313 8.192 -10.919 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.844 6.594 -11.546 1.00 0.00 H new ATOM 968 N LYS A 82 1.065 9.725 -8.735 1.00 0.00 N ATOM 969 CA LYS A 82 2.119 10.382 -8.017 1.00 0.00 C ATOM 970 C LYS A 82 1.716 10.665 -6.576 1.00 0.00 C ATOM 971 O LYS A 82 2.385 10.236 -5.639 1.00 0.00 O ATOM 972 CB LYS A 82 2.453 11.679 -8.731 1.00 0.00 C ATOM 973 CG LYS A 82 3.750 12.255 -8.267 1.00 0.00 C ATOM 974 CD LYS A 82 4.453 13.037 -9.364 1.00 0.00 C ATOM 975 CE LYS A 82 5.265 14.189 -8.795 1.00 0.00 C ATOM 976 NZ LYS A 82 6.491 13.716 -8.092 1.00 0.00 N ATOM 0 H LYS A 82 0.405 10.363 -9.180 1.00 0.00 H new ATOM 0 HA LYS A 82 2.992 9.730 -7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.500 11.500 -9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.654 12.402 -8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.571 12.909 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.400 11.451 -7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.109 12.370 -9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.715 13.423 -10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.548 14.866 -9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.647 14.760 -8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.015 14.534 -7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.221 13.091 -7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.094 13.193 -8.759 1.00 0.00 H new ATOM 990 N GLN A 83 0.618 11.387 -6.410 1.00 0.00 N ATOM 991 CA GLN A 83 0.117 11.728 -5.085 1.00 0.00 C ATOM 992 C GLN A 83 -1.181 10.985 -4.805 1.00 0.00 C ATOM 993 O GLN A 83 -1.967 10.731 -5.717 1.00 0.00 O ATOM 994 CB GLN A 83 -0.103 13.238 -4.970 1.00 0.00 C ATOM 995 CG GLN A 83 0.801 13.901 -3.947 1.00 0.00 C ATOM 996 CD GLN A 83 0.030 14.676 -2.896 1.00 0.00 C ATOM 997 OE1 GLN A 83 -0.873 15.449 -3.216 1.00 0.00 O ATOM 998 NE2 GLN A 83 0.383 14.471 -1.632 1.00 0.00 N ATOM 0 H GLN A 83 0.054 11.750 -7.179 1.00 0.00 H new ATOM 0 HA GLN A 83 0.859 11.427 -4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.064 13.698 -5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.143 13.427 -4.703 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.408 13.139 -3.458 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.487 14.576 -4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.138 13.821 -1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.101 14.964 -0.881 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.401 10.631 -3.545 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.610 9.909 -3.173 1.00 0.00 C ATOM 1009 C VAL A 84 -3.265 10.489 -1.928 1.00 0.00 C ATOM 1010 O VAL A 84 -2.663 11.268 -1.189 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.346 8.406 -2.907 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.417 7.555 -3.556 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.972 7.977 -3.388 1.00 0.00 C ATOM 0 H VAL A 84 -0.766 10.829 -2.772 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.275 10.018 -4.030 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.378 8.258 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.215 6.502 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.391 7.821 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.417 7.729 -4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.829 6.916 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.891 8.152 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.208 8.554 -2.867 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.495 10.055 -1.694 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.258 10.463 -0.529 1.00 0.00 C ATOM 1025 C ALA A 85 -5.219 9.334 0.484 1.00 0.00 C ATOM 1026 O ALA A 85 -5.876 8.310 0.305 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.694 10.787 -0.918 1.00 0.00 C ATOM 0 H ALA A 85 -4.990 9.409 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.824 11.364 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.251 11.091 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.700 11.598 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.161 9.904 -1.355 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.412 9.492 1.522 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.267 8.442 2.512 1.00 0.00 C ATOM 1035 C PHE A 86 -5.399 8.432 3.528 1.00 0.00 C ATOM 1036 O PHE A 86 -5.511 9.311 4.383 1.00 0.00 O ATOM 1037 CB PHE A 86 -2.923 8.547 3.226 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.347 7.202 3.547 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.101 6.275 2.540 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -2.082 6.849 4.859 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.597 5.026 2.846 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -1.587 5.599 5.167 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.343 4.688 4.160 1.00 0.00 C ATOM 0 H PHE A 86 -3.854 10.328 1.698 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.311 7.499 1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.223 9.100 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.046 9.117 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.305 6.534 1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.265 7.561 5.651 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.402 4.314 2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.391 5.334 6.195 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.953 3.710 4.400 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.214 7.391 3.426 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.339 7.170 4.319 1.00 0.00 C ATOM 1055 C ASP A 87 -7.484 5.671 4.533 1.00 0.00 C ATOM 1056 O ASP A 87 -7.909 4.947 3.632 1.00 0.00 O ATOM 1057 CB ASP A 87 -8.624 7.756 3.730 1.00 0.00 C ATOM 1058 CG ASP A 87 -9.015 9.065 4.386 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -9.610 9.025 5.484 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -8.726 10.131 3.803 1.00 0.00 O ATOM 0 H ASP A 87 -6.110 6.669 2.713 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.161 7.669 5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.491 7.914 2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.435 7.037 3.847 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.103 5.200 5.713 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.170 3.776 6.004 1.00 0.00 C ATOM 1067 C ARG A 88 -8.503 3.432 6.658 1.00 0.00 C ATOM 1068 O ARG A 88 -9.047 2.346 6.458 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.017 3.293 6.908 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.182 4.355 7.593 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.609 5.360 6.627 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.569 4.882 5.246 1.00 0.00 N ATOM 1073 CZ ARG A 88 -3.869 3.834 4.840 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -3.133 3.145 5.702 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -3.885 3.487 3.562 1.00 0.00 N ATOM 0 H ARG A 88 -6.748 5.777 6.476 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.075 3.260 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.439 2.647 7.678 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.351 2.676 6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.796 4.874 8.329 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.368 3.876 8.137 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.202 6.273 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.599 5.621 6.943 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.116 5.389 4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.104 3.422 6.683 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.596 2.339 5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.435 4.027 2.894 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.347 2.680 3.246 1.00 0.00 H new ATOM 1089 N GLY A 89 -9.014 4.366 7.454 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.270 4.156 8.146 1.00 0.00 C ATOM 1091 C GLY A 89 -10.069 4.012 9.644 1.00 0.00 C ATOM 1092 O GLY A 89 -9.723 4.982 10.318 1.00 0.00 O ATOM 0 H GLY A 89 -8.576 5.270 7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.939 4.993 7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.755 3.261 7.756 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.271 2.805 10.202 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.098 2.554 11.627 1.00 0.00 C ATOM 1098 C PRO A 90 -8.675 2.117 11.969 1.00 0.00 C ATOM 1099 O PRO A 90 -8.464 1.322 12.885 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.079 1.413 11.870 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.065 0.626 10.599 1.00 0.00 C ATOM 1102 CD PRO A 90 -10.682 1.581 9.489 1.00 0.00 C ATOM 0 HA PRO A 90 -10.272 3.440 12.238 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.773 0.801 12.718 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.078 1.789 12.092 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.352 -0.196 10.663 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.044 0.186 10.408 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.871 1.182 8.880 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.520 1.771 8.818 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.703 2.633 11.221 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.302 2.287 11.438 1.00 0.00 C ATOM 1112 C TYR A 91 -5.562 3.392 12.183 1.00 0.00 C ATOM 1113 O TYR A 91 -5.911 4.568 12.087 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.600 2.035 10.102 1.00 0.00 C ATOM 1115 CG TYR A 91 -5.876 0.677 9.492 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.101 0.044 9.664 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -4.906 0.032 8.733 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.350 -1.193 9.100 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.148 -1.204 8.165 1.00 0.00 C ATOM 1120 CZ TYR A 91 -6.371 -1.812 8.352 1.00 0.00 C ATOM 1121 OH TYR A 91 -6.616 -3.043 7.788 1.00 0.00 O ATOM 0 H TYR A 91 -7.861 3.293 10.459 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.284 1.381 12.044 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.906 2.806 9.395 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.525 2.143 10.245 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.871 0.526 10.248 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.947 0.505 8.585 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.307 -1.672 9.245 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.383 -1.691 7.578 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.354 -2.968 7.148 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.522 2.997 12.904 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.695 3.934 13.653 1.00 0.00 C ATOM 1133 C LYS A 92 -2.224 3.647 13.375 1.00 0.00 C ATOM 1134 O LYS A 92 -1.855 2.499 13.124 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.981 3.819 15.152 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.280 4.877 15.990 1.00 0.00 C ATOM 1137 CD LYS A 92 -2.592 4.268 17.205 1.00 0.00 C ATOM 1138 CE LYS A 92 -1.158 4.757 17.344 1.00 0.00 C ATOM 1139 NZ LYS A 92 -0.965 5.564 18.581 1.00 0.00 N ATOM 0 H LYS A 92 -4.228 2.024 12.986 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.931 4.950 13.336 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.056 3.893 15.315 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.673 2.832 15.497 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.544 5.397 15.378 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.006 5.621 16.318 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.152 4.522 18.105 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.599 3.181 17.121 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.482 3.902 17.359 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.893 5.357 16.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.025 5.879 18.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.591 6.394 18.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.193 4.984 19.413 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.382 4.681 13.410 1.00 0.00 N ATOM 1154 CA TYR A 93 0.046 4.500 13.152 1.00 0.00 C ATOM 1155 C TYR A 93 0.570 3.277 13.902 1.00 0.00 C ATOM 1156 O TYR A 93 0.607 3.256 15.132 1.00 0.00 O ATOM 1157 CB TYR A 93 0.834 5.753 13.544 1.00 0.00 C ATOM 1158 CG TYR A 93 2.082 5.968 12.711 1.00 0.00 C ATOM 1159 CD1 TYR A 93 2.092 5.681 11.350 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.250 6.449 13.288 1.00 0.00 C ATOM 1161 CE1 TYR A 93 3.230 5.866 10.589 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.393 6.640 12.532 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.377 6.347 11.184 1.00 0.00 C ATOM 1164 OH TYR A 93 5.513 6.533 10.430 1.00 0.00 O ATOM 0 H TYR A 93 -1.660 5.641 13.612 1.00 0.00 H new ATOM 0 HA TYR A 93 0.183 4.336 12.083 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.187 6.625 13.446 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.116 5.681 14.594 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.194 5.307 10.880 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.266 6.678 14.343 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.221 5.635 9.534 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.293 7.017 12.995 1.00 0.00 H new ATOM 0 HH TYR A 93 6.231 6.878 11.000 1.00 0.00 H new ATOM 1174 N HIS A 94 0.936 2.247 13.146 1.00 0.00 N ATOM 1175 CA HIS A 94 1.417 0.997 13.729 1.00 0.00 C ATOM 1176 C HIS A 94 2.810 0.621 13.195 1.00 0.00 C ATOM 1177 O HIS A 94 3.752 1.401 13.324 1.00 0.00 O ATOM 1178 CB HIS A 94 0.389 -0.104 13.444 1.00 0.00 C ATOM 1179 CG HIS A 94 0.335 -1.164 14.500 1.00 0.00 C ATOM 1180 ND1 HIS A 94 0.101 -0.889 15.831 1.00 0.00 N ATOM 1181 CD2 HIS A 94 0.484 -2.507 14.415 1.00 0.00 C ATOM 1182 CE1 HIS A 94 0.111 -2.017 16.519 1.00 0.00 C ATOM 1183 NE2 HIS A 94 0.340 -3.013 15.684 1.00 0.00 N ATOM 0 H HIS A 94 0.909 2.252 12.126 1.00 0.00 H new ATOM 0 HA HIS A 94 1.526 1.121 14.806 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.598 0.349 13.345 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.624 -0.569 12.486 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.680 -3.075 13.517 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.042 -2.108 17.584 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.400 -3.999 15.939 1.00 0.00 H new ATOM 1192 N GLY A 95 2.940 -0.570 12.598 1.00 0.00 N ATOM 1193 CA GLY A 95 4.220 -0.999 12.063 1.00 0.00 C ATOM 1194 C GLY A 95 4.139 -1.435 10.606 1.00 0.00 C ATOM 1195 O GLY A 95 5.165 -1.602 9.948 1.00 0.00 O ATOM 0 H GLY A 95 2.180 -1.240 12.478 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.937 -0.183 12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.600 -1.826 12.663 1.00 0.00 H new ATOM 1199 N ARG A 96 2.919 -1.615 10.098 1.00 0.00 N ATOM 1200 CA ARG A 96 2.718 -2.030 8.710 1.00 0.00 C ATOM 1201 C ARG A 96 2.662 -0.811 7.793 1.00 0.00 C ATOM 1202 O ARG A 96 3.588 -0.563 7.021 1.00 0.00 O ATOM 1203 CB ARG A 96 1.431 -2.853 8.573 1.00 0.00 C ATOM 1204 CG ARG A 96 1.126 -3.726 9.783 1.00 0.00 C ATOM 1205 CD ARG A 96 2.020 -4.955 9.827 1.00 0.00 C ATOM 1206 NE ARG A 96 2.527 -5.214 11.172 1.00 0.00 N ATOM 1207 CZ ARG A 96 1.852 -5.883 12.105 1.00 0.00 C ATOM 1208 NH1 ARG A 96 0.639 -6.358 11.847 1.00 0.00 N ATOM 1209 NH2 ARG A 96 2.392 -6.076 13.301 1.00 0.00 N ATOM 0 H ARG A 96 2.057 -1.480 10.626 1.00 0.00 H new ATOM 0 HA ARG A 96 3.562 -2.654 8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.594 -2.175 8.406 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.509 -3.487 7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.261 -3.145 10.695 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.081 -4.036 9.754 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.461 -5.823 9.477 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.858 -4.819 9.144 1.00 0.00 H new ATOM 0 HE ARG A 96 3.454 -4.861 11.411 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.218 -6.211 10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.128 -6.869 12.566 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.323 -5.712 13.505 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.876 -6.588 14.017 1.00 0.00 H new ATOM 1223 N VAL A 97 1.571 -0.047 7.897 1.00 0.00 N ATOM 1224 CA VAL A 97 1.369 1.163 7.107 1.00 0.00 C ATOM 1225 C VAL A 97 2.676 1.918 6.889 1.00 0.00 C ATOM 1226 O VAL A 97 2.860 2.553 5.865 1.00 0.00 O ATOM 1227 CB VAL A 97 0.354 2.100 7.802 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.314 3.469 7.141 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -1.028 1.475 7.811 1.00 0.00 C ATOM 0 H VAL A 97 0.802 -0.254 8.535 1.00 0.00 H new ATOM 0 HA VAL A 97 0.981 0.852 6.137 1.00 0.00 H new ATOM 0 HB VAL A 97 0.684 2.238 8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.410 4.101 7.656 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.301 3.929 7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.023 3.360 6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.729 2.149 8.304 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.354 1.299 6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.995 0.528 8.349 1.00 0.00 H new ATOM 1239 N LYS A 98 3.574 1.845 7.861 1.00 0.00 N ATOM 1240 CA LYS A 98 4.852 2.522 7.768 1.00 0.00 C ATOM 1241 C LYS A 98 5.685 1.958 6.626 1.00 0.00 C ATOM 1242 O LYS A 98 5.718 2.517 5.530 1.00 0.00 O ATOM 1243 CB LYS A 98 5.614 2.385 9.079 1.00 0.00 C ATOM 1244 CG LYS A 98 5.306 3.489 10.062 1.00 0.00 C ATOM 1245 CD LYS A 98 4.465 2.976 11.221 1.00 0.00 C ATOM 1246 CE LYS A 98 2.985 2.906 10.857 1.00 0.00 C ATOM 1247 NZ LYS A 98 2.534 1.513 10.576 1.00 0.00 N ATOM 0 H LYS A 98 3.437 1.321 8.725 1.00 0.00 H new ATOM 0 HA LYS A 98 4.663 3.577 7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.373 1.424 9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.684 2.380 8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.236 3.910 10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.776 4.295 9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.815 1.986 11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.597 3.629 12.084 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.393 3.319 11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.799 3.529 9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.111 1.470 9.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.349 0.868 10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.827 1.227 11.284 1.00 0.00 H new ATOM 1261 N ALA A 99 6.360 0.840 6.901 1.00 0.00 N ATOM 1262 CA ALA A 99 7.204 0.179 5.916 1.00 0.00 C ATOM 1263 C ALA A 99 6.516 0.103 4.561 1.00 0.00 C ATOM 1264 O ALA A 99 7.140 0.322 3.527 1.00 0.00 O ATOM 1265 CB ALA A 99 7.581 -1.215 6.398 1.00 0.00 C ATOM 0 H ALA A 99 6.335 0.374 7.808 1.00 0.00 H new ATOM 0 HA ALA A 99 8.112 0.771 5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.212 -1.699 5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.124 -1.140 7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.677 -1.805 6.547 1.00 0.00 H new ATOM 1271 N LEU A 100 5.221 -0.192 4.573 1.00 0.00 N ATOM 1272 CA LEU A 100 4.454 -0.283 3.352 1.00 0.00 C ATOM 1273 C LEU A 100 4.326 1.084 2.711 1.00 0.00 C ATOM 1274 O LEU A 100 4.506 1.240 1.503 1.00 0.00 O ATOM 1275 CB LEU A 100 3.068 -0.851 3.652 1.00 0.00 C ATOM 1276 CG LEU A 100 2.015 -0.552 2.591 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.025 -1.696 2.483 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.289 0.750 2.897 1.00 0.00 C ATOM 0 H LEU A 100 4.685 -0.372 5.422 1.00 0.00 H new ATOM 0 HA LEU A 100 4.970 -0.948 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.150 -1.932 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.726 -0.452 4.607 1.00 0.00 H new ATOM 0 HG LEU A 100 2.524 -0.442 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.282 -1.463 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.553 -2.609 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.528 -1.839 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.543 0.941 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.797 0.673 3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.006 1.570 2.919 1.00 0.00 H new ATOM 1290 N ALA A 101 4.004 2.069 3.531 1.00 0.00 N ATOM 1291 CA ALA A 101 3.839 3.426 3.048 1.00 0.00 C ATOM 1292 C ALA A 101 5.139 3.943 2.458 1.00 0.00 C ATOM 1293 O ALA A 101 5.120 4.720 1.505 1.00 0.00 O ATOM 1294 CB ALA A 101 3.317 4.329 4.147 1.00 0.00 C ATOM 0 H ALA A 101 3.852 1.953 4.533 1.00 0.00 H new ATOM 0 HA ALA A 101 3.095 3.425 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.201 5.342 3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.352 3.960 4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.022 4.336 4.978 1.00 0.00 H new ATOM 1300 N GLU A 102 6.275 3.473 2.978 1.00 0.00 N ATOM 1301 CA GLU A 102 7.550 3.879 2.408 1.00 0.00 C ATOM 1302 C GLU A 102 7.657 3.229 1.046 1.00 0.00 C ATOM 1303 O GLU A 102 7.905 3.894 0.058 1.00 0.00 O ATOM 1304 CB GLU A 102 8.768 3.513 3.272 1.00 0.00 C ATOM 1305 CG GLU A 102 8.443 3.134 4.716 1.00 0.00 C ATOM 1306 CD GLU A 102 9.668 2.673 5.483 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.661 2.282 4.835 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.633 2.703 6.731 1.00 0.00 O ATOM 0 H GLU A 102 6.335 2.831 3.768 1.00 0.00 H new ATOM 0 HA GLU A 102 7.566 4.967 2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.291 2.680 2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.456 4.358 3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.002 3.992 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.695 2.341 4.721 1.00 0.00 H new ATOM 1315 N GLY A 103 7.394 1.927 0.989 1.00 0.00 N ATOM 1316 CA GLY A 103 7.406 1.234 -0.286 1.00 0.00 C ATOM 1317 C GLY A 103 6.656 2.030 -1.328 1.00 0.00 C ATOM 1318 O GLY A 103 7.161 2.343 -2.406 1.00 0.00 O ATOM 0 H GLY A 103 7.174 1.343 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.434 1.076 -0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.952 0.249 -0.176 1.00 0.00 H new ATOM 1322 N ALA A 104 5.409 2.326 -0.965 1.00 0.00 N ATOM 1323 CA ALA A 104 4.483 3.065 -1.806 1.00 0.00 C ATOM 1324 C ALA A 104 4.981 4.477 -2.095 1.00 0.00 C ATOM 1325 O ALA A 104 4.862 4.968 -3.215 1.00 0.00 O ATOM 1326 CB ALA A 104 3.115 3.104 -1.149 1.00 0.00 C ATOM 0 H ALA A 104 5.013 2.053 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 104 4.410 2.549 -2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.423 3.659 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.747 2.087 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.191 3.594 -0.178 1.00 0.00 H new ATOM 1332 N ARG A 105 5.556 5.133 -1.094 1.00 0.00 N ATOM 1333 CA ARG A 105 6.077 6.482 -1.287 1.00 0.00 C ATOM 1334 C ARG A 105 7.484 6.415 -1.866 1.00 0.00 C ATOM 1335 O ARG A 105 7.816 7.120 -2.819 1.00 0.00 O ATOM 1336 CB ARG A 105 6.064 7.266 0.031 1.00 0.00 C ATOM 1337 CG ARG A 105 6.791 8.602 -0.036 1.00 0.00 C ATOM 1338 CD ARG A 105 5.847 9.768 0.223 1.00 0.00 C ATOM 1339 NE ARG A 105 6.026 10.332 1.559 1.00 0.00 N ATOM 1340 CZ ARG A 105 6.984 11.199 1.876 1.00 0.00 C ATOM 1341 NH1 ARG A 105 7.857 11.601 0.960 1.00 0.00 N ATOM 1342 NH2 ARG A 105 7.071 11.666 3.114 1.00 0.00 N ATOM 0 H ARG A 105 5.673 4.760 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 105 5.434 7.009 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 105 5.030 7.441 0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.520 6.655 0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.597 8.616 0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.252 8.717 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.016 10.544 -0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.816 9.433 0.106 1.00 0.00 H new ATOM 0 HE ARG A 105 5.378 10.044 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.796 11.245 0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.589 12.266 1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 105 6.404 11.360 3.822 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.805 12.331 3.358 1.00 0.00 H new ATOM 1356 N GLU A 106 8.290 5.534 -1.296 1.00 0.00 N ATOM 1357 CA GLU A 106 9.655 5.318 -1.748 1.00 0.00 C ATOM 1358 C GLU A 106 9.631 4.947 -3.231 1.00 0.00 C ATOM 1359 O GLU A 106 10.520 5.319 -3.997 1.00 0.00 O ATOM 1360 CB GLU A 106 10.307 4.193 -0.916 1.00 0.00 C ATOM 1361 CG GLU A 106 10.144 2.803 -1.512 1.00 0.00 C ATOM 1362 CD GLU A 106 10.979 1.759 -0.800 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.659 2.113 0.186 1.00 0.00 O ATOM 1364 OE2 GLU A 106 10.957 0.588 -1.232 1.00 0.00 O ATOM 0 H GLU A 106 8.016 4.948 -0.507 1.00 0.00 H new ATOM 0 HA GLU A 106 10.242 6.227 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.370 4.407 -0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.876 4.200 0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.094 2.514 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.423 2.829 -2.565 1.00 0.00 H new ATOM 1371 N GLY A 107 8.587 4.208 -3.618 1.00 0.00 N ATOM 1372 CA GLY A 107 8.433 3.789 -4.999 1.00 0.00 C ATOM 1373 C GLY A 107 8.016 4.941 -5.905 1.00 0.00 C ATOM 1374 O GLY A 107 8.626 5.154 -6.952 1.00 0.00 O ATOM 0 H GLY A 107 7.845 3.893 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.373 3.369 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.688 2.996 -5.056 1.00 0.00 H new ATOM 1378 N GLY A 108 6.985 5.699 -5.506 1.00 0.00 N ATOM 1379 CA GLY A 108 6.549 6.826 -6.323 1.00 0.00 C ATOM 1380 C GLY A 108 5.373 7.613 -5.750 1.00 0.00 C ATOM 1381 O GLY A 108 5.239 8.806 -6.018 1.00 0.00 O ATOM 0 H GLY A 108 6.454 5.554 -4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.391 7.505 -6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.274 6.456 -7.311 1.00 0.00 H new ATOM 1385 N LEU A 109 4.500 6.948 -5.000 1.00 0.00 N ATOM 1386 CA LEU A 109 3.317 7.592 -4.440 1.00 0.00 C ATOM 1387 C LEU A 109 3.630 8.569 -3.317 1.00 0.00 C ATOM 1388 O LEU A 109 4.551 8.376 -2.531 1.00 0.00 O ATOM 1389 CB LEU A 109 2.358 6.530 -3.923 1.00 0.00 C ATOM 1390 CG LEU A 109 1.614 5.786 -5.014 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.595 5.094 -5.932 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.627 4.796 -4.416 1.00 0.00 C ATOM 0 H LEU A 109 4.590 5.959 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 109 2.868 8.170 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.917 5.811 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.633 7.002 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 109 1.043 6.505 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.050 4.562 -6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.251 5.835 -6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.192 4.385 -5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.105 4.274 -5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.164 4.073 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.096 5.330 -3.800 1.00 0.00 H new ATOM 1404 N GLU A 110 2.822 9.615 -3.246 1.00 0.00 N ATOM 1405 CA GLU A 110 2.958 10.631 -2.213 1.00 0.00 C ATOM 1406 C GLU A 110 1.621 10.849 -1.513 1.00 0.00 C ATOM 1407 O GLU A 110 0.799 11.652 -1.953 1.00 0.00 O ATOM 1408 CB GLU A 110 3.475 11.937 -2.811 1.00 0.00 C ATOM 1409 CG GLU A 110 4.992 12.035 -2.806 1.00 0.00 C ATOM 1410 CD GLU A 110 5.583 12.035 -4.203 1.00 0.00 C ATOM 1411 OE1 GLU A 110 5.367 13.021 -4.939 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.262 11.050 -4.561 1.00 0.00 O ATOM 0 H GLU A 110 2.057 9.784 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 110 3.683 10.286 -1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.114 12.029 -3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.061 12.775 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.291 12.947 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.404 11.199 -2.241 1.00 0.00 H new ATOM 1419 N PHE A 111 1.404 10.113 -0.432 1.00 0.00 N ATOM 1420 CA PHE A 111 0.159 10.202 0.325 1.00 0.00 C ATOM 1421 C PHE A 111 0.422 10.645 1.761 1.00 0.00 C ATOM 1422 O PHE A 111 -0.539 11.077 2.431 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.544 8.842 0.313 1.00 0.00 C ATOM 1424 CG PHE A 111 0.413 7.694 0.415 1.00 0.00 C ATOM 1425 CD1 PHE A 111 1.112 7.272 -0.698 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.630 7.056 1.623 1.00 0.00 C ATOM 1427 CE1 PHE A 111 2.012 6.232 -0.613 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.527 6.011 1.716 1.00 0.00 C ATOM 1429 CZ PHE A 111 2.221 5.599 0.595 1.00 0.00 C ATOM 1430 OXT PHE A 111 1.587 10.556 2.202 1.00 0.00 O ATOM 0 H PHE A 111 2.076 9.444 -0.057 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.482 10.948 -0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.250 8.796 1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.124 8.746 -0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.952 7.763 -1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.092 7.379 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.553 5.913 -1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.686 5.517 2.663 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.926 4.783 0.664 1.00 0.00 H new