USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 569 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 3 GLN :FLIP amide:sc= -1.26 F(o=-2.9,f=-2.2) USER MOD Set 1.2: A 6 SER OG : rot -140:sc= -0.981 USER MOD Single : A 1 MET CE :methyl -145:sc= -0.439 (180deg=-2.1!) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0 (180deg=-0.0535) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 160:sc= 0.892 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.17) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.328 K(o=-0.33,f=-3.6!) USER MOD Single : A 30 SER OG : rot 15:sc= 0.811 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -3.18! C(o=-3.2!,f=-15!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.51) USER MOD Single : A 57 THR OG1 : rot 48:sc= 0.137 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.388 F(o=-1.1,f=-0.39) USER MOD Single : A 59 ASN : amide:sc= -3.22 K(o=-3.2,f=-6.8!) USER MOD Single : A 72 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.0274) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.0484) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.093 6.973 -4.749 1.00 0.00 N ATOM 2 CA MET A 1 -6.205 7.824 -3.531 1.00 0.00 C ATOM 3 C MET A 1 -6.467 6.954 -2.299 1.00 0.00 C ATOM 4 O MET A 1 -7.598 6.769 -1.891 1.00 0.00 O ATOM 5 CB MET A 1 -7.394 8.746 -3.800 1.00 0.00 C ATOM 6 CG MET A 1 -6.934 9.943 -4.635 1.00 0.00 C ATOM 7 SD MET A 1 -8.370 10.948 -5.091 1.00 0.00 S ATOM 8 CE MET A 1 -9.240 9.678 -6.044 1.00 0.00 C ATOM 0 H1 MET A 1 -5.111 6.984 -5.091 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.368 5.997 -4.517 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.722 7.343 -5.490 1.00 0.00 H new ATOM 0 HA MET A 1 -5.291 8.385 -3.334 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.178 8.202 -4.327 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.822 9.089 -2.858 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.222 10.543 -4.069 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.418 9.598 -5.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.758 10.143 -6.882 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.522 8.950 -6.421 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.965 9.175 -5.404 1.00 0.00 H new ATOM 20 N VAL A 2 -5.427 6.441 -1.693 1.00 0.00 N ATOM 21 CA VAL A 2 -5.604 5.604 -0.467 1.00 0.00 C ATOM 22 C VAL A 2 -5.562 6.488 0.782 1.00 0.00 C ATOM 23 O VAL A 2 -5.219 7.654 0.715 1.00 0.00 O ATOM 24 CB VAL A 2 -4.425 4.623 -0.479 1.00 0.00 C ATOM 25 CG1 VAL A 2 -4.505 3.704 0.743 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.478 3.773 -1.752 1.00 0.00 C ATOM 0 H VAL A 2 -4.461 6.566 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.561 5.083 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.492 5.185 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.666 3.009 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.466 4.304 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.440 3.145 0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.640 3.076 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.414 3.215 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.418 4.422 -2.626 1.00 0.00 H new ATOM 36 N GLN A 3 -5.959 5.954 1.910 1.00 0.00 N ATOM 37 CA GLN A 3 -6.001 6.772 3.159 1.00 0.00 C ATOM 38 C GLN A 3 -4.867 6.358 4.100 1.00 0.00 C ATOM 39 O GLN A 3 -4.278 5.303 3.949 1.00 0.00 O ATOM 40 CB GLN A 3 -7.361 6.461 3.787 1.00 0.00 C ATOM 41 CG GLN A 3 -8.432 7.361 3.165 1.00 0.00 C ATOM 42 CD GLN A 3 -8.587 7.031 1.679 1.00 0.00 C ATOM 43 OE1 GLN A 3 -8.703 5.786 1.305 1.00 0.00 O flip ATOM 44 NE2 GLN A 3 -8.602 7.917 0.847 1.00 0.00 N flip ATOM 0 H GLN A 3 -6.256 4.984 2.019 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.876 7.837 2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.615 5.413 3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.320 6.619 4.865 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -9.383 7.220 3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -8.156 8.408 3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -8.512 8.891 1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.705 7.687 -0.141 1.00 0.00 H new ATOM 53 N ARG A 4 -4.594 7.158 5.100 1.00 0.00 N ATOM 54 CA ARG A 4 -3.540 6.789 6.094 1.00 0.00 C ATOM 55 C ARG A 4 -4.022 5.628 6.968 1.00 0.00 C ATOM 56 O ARG A 4 -4.686 5.826 7.968 1.00 0.00 O ATOM 57 CB ARG A 4 -3.329 8.045 6.942 1.00 0.00 C ATOM 58 CG ARG A 4 -2.175 8.865 6.363 1.00 0.00 C ATOM 59 CD ARG A 4 -2.722 9.878 5.356 1.00 0.00 C ATOM 60 NE ARG A 4 -3.133 11.057 6.179 1.00 0.00 N ATOM 61 CZ ARG A 4 -2.241 11.844 6.747 1.00 0.00 C ATOM 62 NH1 ARG A 4 -0.952 11.606 6.651 1.00 0.00 N ATOM 63 NH2 ARG A 4 -2.647 12.886 7.420 1.00 0.00 N ATOM 0 H ARG A 4 -5.056 8.051 5.271 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.617 6.465 5.612 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.241 8.642 6.959 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.110 7.768 7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.645 9.382 7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.455 8.206 5.877 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.965 10.154 4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.567 9.468 4.803 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.125 11.257 6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.621 10.796 6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.283 12.231 7.100 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.644 13.083 7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -1.967 13.503 7.864 1.00 0.00 H new ATOM 77 N GLY A 5 -3.690 4.418 6.594 1.00 0.00 N ATOM 78 CA GLY A 5 -4.124 3.235 7.394 1.00 0.00 C ATOM 79 C GLY A 5 -5.157 2.431 6.601 1.00 0.00 C ATOM 80 O GLY A 5 -6.006 1.769 7.167 1.00 0.00 O ATOM 0 H GLY A 5 -3.135 4.199 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.264 2.608 7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.552 3.561 8.342 1.00 0.00 H new ATOM 84 N SER A 6 -5.064 2.455 5.295 1.00 0.00 N ATOM 85 CA SER A 6 -6.011 1.661 4.457 1.00 0.00 C ATOM 86 C SER A 6 -5.413 0.287 4.142 1.00 0.00 C ATOM 87 O SER A 6 -4.324 -0.037 4.574 1.00 0.00 O ATOM 88 CB SER A 6 -6.185 2.476 3.177 1.00 0.00 C ATOM 89 OG SER A 6 -7.396 3.218 3.254 1.00 0.00 O ATOM 0 H SER A 6 -4.371 2.992 4.773 1.00 0.00 H new ATOM 0 HA SER A 6 -6.962 1.486 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.339 3.151 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.205 1.815 2.311 1.00 0.00 H new ATOM 0 HG SER A 6 -7.842 3.208 2.381 1.00 0.00 H new ATOM 95 N LYS A 7 -6.110 -0.509 3.371 1.00 0.00 N ATOM 96 CA LYS A 7 -5.579 -1.855 3.000 1.00 0.00 C ATOM 97 C LYS A 7 -5.561 -2.014 1.477 1.00 0.00 C ATOM 98 O LYS A 7 -6.563 -2.339 0.868 1.00 0.00 O ATOM 99 CB LYS A 7 -6.550 -2.853 3.632 1.00 0.00 C ATOM 100 CG LYS A 7 -6.274 -2.953 5.133 1.00 0.00 C ATOM 101 CD LYS A 7 -5.092 -3.894 5.374 1.00 0.00 C ATOM 102 CE LYS A 7 -5.576 -5.346 5.322 1.00 0.00 C ATOM 103 NZ LYS A 7 -5.817 -5.720 6.743 1.00 0.00 N ATOM 0 H LYS A 7 -7.026 -0.284 2.982 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.557 -2.006 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.578 -2.534 3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.438 -3.831 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.055 -1.966 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.158 -3.323 5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.322 -3.729 4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.639 -3.685 6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.486 -5.438 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.830 -5.995 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.152 -6.704 6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.932 -5.629 7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.536 -5.089 7.151 1.00 0.00 H new ATOM 117 N VAL A 8 -4.421 -1.818 0.866 1.00 0.00 N ATOM 118 CA VAL A 8 -4.319 -1.989 -0.615 1.00 0.00 C ATOM 119 C VAL A 8 -3.296 -3.079 -0.955 1.00 0.00 C ATOM 120 O VAL A 8 -2.347 -3.298 -0.225 1.00 0.00 O ATOM 121 CB VAL A 8 -3.861 -0.627 -1.151 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.913 0.431 -0.813 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.524 -0.234 -0.512 1.00 0.00 C ATOM 0 H VAL A 8 -3.554 -1.546 1.330 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.266 -2.297 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.736 -0.693 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.590 1.400 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.863 0.159 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.037 0.488 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.207 0.734 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.642 -0.172 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.771 -0.985 -0.752 1.00 0.00 H new ATOM 133 N ARG A 9 -3.466 -3.735 -2.074 1.00 0.00 N ATOM 134 CA ARG A 9 -2.488 -4.784 -2.489 1.00 0.00 C ATOM 135 C ARG A 9 -1.267 -4.137 -3.151 1.00 0.00 C ATOM 136 O ARG A 9 -1.313 -2.997 -3.574 1.00 0.00 O ATOM 137 CB ARG A 9 -3.243 -5.656 -3.494 1.00 0.00 C ATOM 138 CG ARG A 9 -3.946 -6.795 -2.755 1.00 0.00 C ATOM 139 CD ARG A 9 -4.032 -8.021 -3.667 1.00 0.00 C ATOM 140 NE ARG A 9 -5.372 -8.624 -3.383 1.00 0.00 N ATOM 141 CZ ARG A 9 -5.958 -9.432 -4.246 1.00 0.00 C ATOM 142 NH1 ARG A 9 -5.376 -9.778 -5.371 1.00 0.00 N ATOM 143 NH2 ARG A 9 -7.146 -9.899 -3.974 1.00 0.00 N ATOM 0 H ARG A 9 -4.242 -3.589 -2.720 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.121 -5.363 -1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.973 -5.055 -4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.551 -6.060 -4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.400 -7.043 -1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.946 -6.483 -2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.941 -7.739 -4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.229 -8.727 -3.455 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.842 -8.406 -2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.448 -9.420 -5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.852 -10.404 -6.020 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.609 -9.638 -3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.611 -10.525 -4.632 1.00 0.00 H new ATOM 157 N ILE A 10 -0.185 -4.864 -3.257 1.00 0.00 N ATOM 158 CA ILE A 10 1.038 -4.307 -3.911 1.00 0.00 C ATOM 159 C ILE A 10 1.151 -4.830 -5.347 1.00 0.00 C ATOM 160 O ILE A 10 1.119 -6.023 -5.585 1.00 0.00 O ATOM 161 CB ILE A 10 2.211 -4.807 -3.058 1.00 0.00 C ATOM 162 CG1 ILE A 10 2.053 -4.319 -1.607 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.532 -4.282 -3.634 1.00 0.00 C ATOM 164 CD1 ILE A 10 2.020 -2.785 -1.557 1.00 0.00 C ATOM 0 H ILE A 10 -0.095 -5.822 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 10 1.017 -3.219 -3.970 1.00 0.00 H new ATOM 0 HB ILE A 10 2.218 -5.897 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.135 -4.723 -1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.878 -4.691 -1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.362 -4.640 -3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.651 -4.641 -4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.523 -3.192 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.908 -2.457 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.949 -2.388 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.179 -2.420 -2.147 1.00 0.00 H new ATOM 176 N LEU A 11 1.336 -3.947 -6.294 1.00 0.00 N ATOM 177 CA LEU A 11 1.516 -4.386 -7.711 1.00 0.00 C ATOM 178 C LEU A 11 2.987 -4.265 -8.118 1.00 0.00 C ATOM 179 O LEU A 11 3.302 -3.896 -9.234 1.00 0.00 O ATOM 180 CB LEU A 11 0.648 -3.429 -8.538 1.00 0.00 C ATOM 181 CG LEU A 11 -0.806 -3.924 -8.588 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.867 -5.303 -9.250 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.376 -4.014 -7.167 1.00 0.00 C ATOM 0 H LEU A 11 1.370 -2.938 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 11 1.229 -5.427 -7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.683 -2.430 -8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.046 -3.351 -9.550 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.398 -3.218 -9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.901 -5.646 -9.281 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.476 -5.237 -10.265 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.268 -6.009 -8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.407 -4.365 -7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.779 -4.711 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.348 -3.029 -6.701 1.00 0.00 H new ATOM 195 N ARG A 12 3.886 -4.587 -7.223 1.00 0.00 N ATOM 196 CA ARG A 12 5.341 -4.509 -7.552 1.00 0.00 C ATOM 197 C ARG A 12 5.967 -5.913 -7.524 1.00 0.00 C ATOM 198 O ARG A 12 6.487 -6.329 -6.507 1.00 0.00 O ATOM 199 CB ARG A 12 5.947 -3.629 -6.459 1.00 0.00 C ATOM 200 CG ARG A 12 7.113 -2.824 -7.039 1.00 0.00 C ATOM 201 CD ARG A 12 7.429 -1.644 -6.116 1.00 0.00 C ATOM 202 NE ARG A 12 8.571 -2.110 -5.272 1.00 0.00 N ATOM 203 CZ ARG A 12 9.786 -2.238 -5.768 1.00 0.00 C ATOM 204 NH1 ARG A 12 10.058 -1.922 -7.014 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.741 -2.691 -5.003 1.00 0.00 N ATOM 0 H ARG A 12 3.674 -4.901 -6.276 1.00 0.00 H new ATOM 0 HA ARG A 12 5.519 -4.102 -8.547 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.190 -2.955 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.294 -4.247 -5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.991 -3.461 -7.146 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.859 -2.462 -8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.697 -0.756 -6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.567 -1.380 -5.503 1.00 0.00 H new ATOM 0 HE ARG A 12 8.407 -2.334 -4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.320 -1.568 -7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.007 -2.031 -7.372 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.543 -2.941 -4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.685 -2.795 -5.374 1.00 0.00 H new ATOM 219 N PRO A 13 5.903 -6.608 -8.644 1.00 0.00 N ATOM 220 CA PRO A 13 6.479 -7.982 -8.725 1.00 0.00 C ATOM 221 C PRO A 13 7.941 -7.993 -8.257 1.00 0.00 C ATOM 222 O PRO A 13 8.437 -8.993 -7.772 1.00 0.00 O ATOM 223 CB PRO A 13 6.390 -8.323 -10.210 1.00 0.00 C ATOM 224 CG PRO A 13 5.284 -7.468 -10.736 1.00 0.00 C ATOM 225 CD PRO A 13 5.295 -6.201 -9.924 1.00 0.00 C ATOM 0 HA PRO A 13 5.954 -8.696 -8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.330 -8.112 -10.721 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.177 -9.381 -10.360 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.432 -7.251 -11.794 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.325 -7.977 -10.646 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.876 -5.418 -10.412 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.288 -5.809 -9.782 1.00 0.00 H new ATOM 233 N GLU A 14 8.619 -6.879 -8.374 1.00 0.00 N ATOM 234 CA GLU A 14 10.038 -6.808 -7.908 1.00 0.00 C ATOM 235 C GLU A 14 10.091 -6.734 -6.379 1.00 0.00 C ATOM 236 O GLU A 14 11.051 -7.160 -5.764 1.00 0.00 O ATOM 237 CB GLU A 14 10.598 -5.525 -8.526 1.00 0.00 C ATOM 238 CG GLU A 14 11.288 -5.857 -9.851 1.00 0.00 C ATOM 239 CD GLU A 14 12.295 -4.757 -10.192 1.00 0.00 C ATOM 240 OE1 GLU A 14 11.883 -3.755 -10.750 1.00 0.00 O ATOM 241 OE2 GLU A 14 13.463 -4.937 -9.887 1.00 0.00 O ATOM 0 H GLU A 14 8.251 -6.015 -8.772 1.00 0.00 H new ATOM 0 HA GLU A 14 10.612 -7.686 -8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.794 -4.807 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.306 -5.058 -7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.795 -6.819 -9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.548 -5.946 -10.646 1.00 0.00 H new ATOM 248 N SER A 15 9.066 -6.200 -5.764 1.00 0.00 N ATOM 249 CA SER A 15 9.049 -6.100 -4.272 1.00 0.00 C ATOM 250 C SER A 15 8.816 -7.479 -3.651 1.00 0.00 C ATOM 251 O SER A 15 8.002 -8.251 -4.123 1.00 0.00 O ATOM 252 CB SER A 15 7.887 -5.163 -3.944 1.00 0.00 C ATOM 253 OG SER A 15 7.935 -4.819 -2.566 1.00 0.00 O ATOM 0 H SER A 15 8.239 -5.828 -6.231 1.00 0.00 H new ATOM 0 HA SER A 15 9.994 -5.728 -3.876 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.946 -4.264 -4.557 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.938 -5.646 -4.177 1.00 0.00 H new ATOM 0 HG SER A 15 7.420 -3.999 -2.415 1.00 0.00 H new ATOM 259 N TYR A 16 9.491 -7.771 -2.567 1.00 0.00 N ATOM 260 CA TYR A 16 9.273 -9.079 -1.872 1.00 0.00 C ATOM 261 C TYR A 16 7.816 -9.202 -1.415 1.00 0.00 C ATOM 262 O TYR A 16 7.299 -10.291 -1.253 1.00 0.00 O ATOM 263 CB TYR A 16 10.215 -9.054 -0.664 1.00 0.00 C ATOM 264 CG TYR A 16 10.133 -10.372 0.070 1.00 0.00 C ATOM 265 CD1 TYR A 16 9.051 -10.634 0.918 1.00 0.00 C ATOM 266 CD2 TYR A 16 11.139 -11.331 -0.098 1.00 0.00 C ATOM 267 CE1 TYR A 16 8.975 -11.855 1.600 1.00 0.00 C ATOM 268 CE2 TYR A 16 11.063 -12.552 0.584 1.00 0.00 C ATOM 269 CZ TYR A 16 9.981 -12.814 1.433 1.00 0.00 C ATOM 270 OH TYR A 16 9.906 -14.017 2.104 1.00 0.00 O ATOM 0 H TYR A 16 10.184 -7.161 -2.133 1.00 0.00 H new ATOM 0 HA TYR A 16 9.473 -9.928 -2.525 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.238 -8.872 -0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.944 -8.237 0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.274 -9.895 1.047 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.973 -11.129 -0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.140 -12.057 2.255 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.839 -13.292 0.455 1.00 0.00 H new ATOM 0 HH TYR A 16 10.683 -14.568 1.875 1.00 0.00 H new ATOM 280 N TRP A 17 7.170 -8.092 -1.155 1.00 0.00 N ATOM 281 CA TRP A 17 5.766 -8.138 -0.648 1.00 0.00 C ATOM 282 C TRP A 17 4.779 -7.965 -1.806 1.00 0.00 C ATOM 283 O TRP A 17 3.732 -7.364 -1.654 1.00 0.00 O ATOM 284 CB TRP A 17 5.657 -6.967 0.329 1.00 0.00 C ATOM 285 CG TRP A 17 6.596 -7.180 1.473 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.422 -8.088 2.462 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.847 -6.492 1.764 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.488 -8.000 3.340 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.392 -7.031 2.953 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.554 -5.463 1.116 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.596 -6.565 3.482 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.766 -4.992 1.646 1.00 0.00 C ATOM 293 CH2 TRP A 17 10.286 -5.542 2.826 1.00 0.00 C ATOM 0 H TRP A 17 7.556 -7.155 -1.273 1.00 0.00 H new ATOM 0 HA TRP A 17 5.531 -9.089 -0.170 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.893 -6.032 -0.180 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.634 -6.880 0.696 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.588 -8.769 2.551 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.593 -8.581 4.172 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.163 -5.033 0.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.992 -6.992 4.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.301 -4.201 1.141 1.00 0.00 H new ATOM 0 HH2 TRP A 17 11.219 -5.175 3.228 1.00 0.00 H new ATOM 304 N PHE A 18 5.077 -8.545 -2.941 1.00 0.00 N ATOM 305 CA PHE A 18 4.125 -8.482 -4.093 1.00 0.00 C ATOM 306 C PHE A 18 2.853 -9.270 -3.770 1.00 0.00 C ATOM 307 O PHE A 18 2.867 -10.190 -2.975 1.00 0.00 O ATOM 308 CB PHE A 18 4.869 -9.124 -5.267 1.00 0.00 C ATOM 309 CG PHE A 18 4.027 -9.018 -6.517 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.628 -7.761 -6.987 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.648 -10.176 -7.205 1.00 0.00 C ATOM 312 CE1 PHE A 18 2.848 -7.662 -8.145 1.00 0.00 C ATOM 313 CE2 PHE A 18 2.869 -10.077 -8.364 1.00 0.00 C ATOM 314 CZ PHE A 18 2.468 -8.820 -8.834 1.00 0.00 C ATOM 0 H PHE A 18 5.939 -9.060 -3.120 1.00 0.00 H new ATOM 0 HA PHE A 18 3.820 -7.460 -4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.828 -8.628 -5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.083 -10.170 -5.047 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.922 -6.868 -6.456 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.956 -11.145 -6.842 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.539 -6.692 -8.507 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.577 -10.970 -8.896 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.866 -8.744 -9.727 1.00 0.00 H new ATOM 324 N GLN A 19 1.752 -8.925 -4.398 1.00 0.00 N ATOM 325 CA GLN A 19 0.465 -9.658 -4.157 1.00 0.00 C ATOM 326 C GLN A 19 0.144 -9.716 -2.658 1.00 0.00 C ATOM 327 O GLN A 19 -0.360 -10.707 -2.162 1.00 0.00 O ATOM 328 CB GLN A 19 0.689 -11.068 -4.713 1.00 0.00 C ATOM 329 CG GLN A 19 0.423 -11.071 -6.220 1.00 0.00 C ATOM 330 CD GLN A 19 -1.084 -11.003 -6.473 1.00 0.00 C ATOM 331 OE1 GLN A 19 -1.750 -12.018 -6.522 1.00 0.00 O ATOM 332 NE2 GLN A 19 -1.655 -9.841 -6.635 1.00 0.00 N ATOM 0 H GLN A 19 1.689 -8.162 -5.072 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.377 -9.160 -4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.711 -11.391 -4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.027 -11.776 -4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.920 -10.222 -6.689 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.838 -11.972 -6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.097 -8.988 -6.594 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.660 -9.785 -6.803 1.00 0.00 H new ATOM 341 N ASP A 20 0.410 -8.652 -1.945 1.00 0.00 N ATOM 342 CA ASP A 20 0.098 -8.624 -0.485 1.00 0.00 C ATOM 343 C ASP A 20 -0.666 -7.345 -0.131 1.00 0.00 C ATOM 344 O ASP A 20 -0.375 -6.278 -0.642 1.00 0.00 O ATOM 345 CB ASP A 20 1.460 -8.645 0.212 1.00 0.00 C ATOM 346 CG ASP A 20 2.137 -9.995 -0.035 1.00 0.00 C ATOM 347 OD1 ASP A 20 1.433 -10.991 -0.067 1.00 0.00 O ATOM 348 OD2 ASP A 20 3.348 -10.009 -0.185 1.00 0.00 O ATOM 0 H ASP A 20 0.831 -7.799 -2.313 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.529 -9.462 -0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.087 -7.837 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.336 -8.478 1.282 1.00 0.00 H new ATOM 353 N VAL A 21 -1.621 -7.441 0.758 1.00 0.00 N ATOM 354 CA VAL A 21 -2.390 -6.229 1.175 1.00 0.00 C ATOM 355 C VAL A 21 -1.669 -5.523 2.327 1.00 0.00 C ATOM 356 O VAL A 21 -1.957 -5.756 3.487 1.00 0.00 O ATOM 357 CB VAL A 21 -3.755 -6.757 1.632 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.639 -5.589 2.077 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.436 -7.490 0.472 1.00 0.00 C ATOM 0 H VAL A 21 -1.902 -8.309 1.215 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.489 -5.503 0.368 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.611 -7.443 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.608 -5.969 2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.160 -5.065 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.779 -4.901 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.406 -7.865 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.574 -6.802 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.813 -8.325 0.153 1.00 0.00 H new ATOM 369 N GLY A 22 -0.751 -4.643 2.013 1.00 0.00 N ATOM 370 CA GLY A 22 -0.026 -3.894 3.081 1.00 0.00 C ATOM 371 C GLY A 22 -0.901 -2.743 3.583 1.00 0.00 C ATOM 372 O GLY A 22 -1.930 -2.440 3.008 1.00 0.00 O ATOM 0 H GLY A 22 -0.473 -4.412 1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.221 -4.563 3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.916 -3.506 2.692 1.00 0.00 H new ATOM 376 N THR A 23 -0.483 -2.086 4.635 1.00 0.00 N ATOM 377 CA THR A 23 -1.271 -0.932 5.165 1.00 0.00 C ATOM 378 C THR A 23 -0.533 0.381 4.890 1.00 0.00 C ATOM 379 O THR A 23 0.675 0.459 5.004 1.00 0.00 O ATOM 380 CB THR A 23 -1.376 -1.183 6.670 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.958 -2.460 6.895 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.249 -0.103 7.310 1.00 0.00 C ATOM 0 H THR A 23 0.371 -2.299 5.150 1.00 0.00 H new ATOM 0 HA THR A 23 -2.252 -0.850 4.696 1.00 0.00 H new ATOM 0 HB THR A 23 -0.381 -1.152 7.114 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.025 -2.624 7.859 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.323 -0.283 8.382 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.802 0.876 7.136 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.245 -0.131 6.868 1.00 0.00 H new ATOM 390 N VAL A 24 -1.258 1.418 4.554 1.00 0.00 N ATOM 391 CA VAL A 24 -0.610 2.740 4.296 1.00 0.00 C ATOM 392 C VAL A 24 -0.348 3.462 5.623 1.00 0.00 C ATOM 393 O VAL A 24 -1.230 3.591 6.452 1.00 0.00 O ATOM 394 CB VAL A 24 -1.618 3.521 3.444 1.00 0.00 C ATOM 395 CG1 VAL A 24 -1.049 4.902 3.109 1.00 0.00 C ATOM 396 CG2 VAL A 24 -1.890 2.760 2.143 1.00 0.00 C ATOM 0 H VAL A 24 -2.272 1.406 4.447 1.00 0.00 H new ATOM 0 HA VAL A 24 0.351 2.640 3.792 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.547 3.634 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.768 5.454 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.855 5.449 4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.119 4.787 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.607 3.317 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.959 2.645 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.298 1.776 2.375 1.00 0.00 H new ATOM 406 N ALA A 25 0.850 3.952 5.813 1.00 0.00 N ATOM 407 CA ALA A 25 1.171 4.695 7.068 1.00 0.00 C ATOM 408 C ALA A 25 1.053 6.204 6.835 1.00 0.00 C ATOM 409 O ALA A 25 0.439 6.914 7.609 1.00 0.00 O ATOM 410 CB ALA A 25 2.614 4.313 7.396 1.00 0.00 C ATOM 0 H ALA A 25 1.622 3.869 5.151 1.00 0.00 H new ATOM 0 HA ALA A 25 0.489 4.446 7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.926 4.820 8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.681 3.235 7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.265 4.611 6.574 1.00 0.00 H new ATOM 416 N SER A 26 1.619 6.691 5.759 1.00 0.00 N ATOM 417 CA SER A 26 1.520 8.149 5.450 1.00 0.00 C ATOM 418 C SER A 26 1.980 8.417 4.015 1.00 0.00 C ATOM 419 O SER A 26 2.586 7.572 3.381 1.00 0.00 O ATOM 420 CB SER A 26 2.456 8.828 6.448 1.00 0.00 C ATOM 421 OG SER A 26 3.691 8.126 6.487 1.00 0.00 O ATOM 0 H SER A 26 2.146 6.140 5.081 1.00 0.00 H new ATOM 0 HA SER A 26 0.499 8.521 5.531 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.623 9.866 6.159 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.001 8.842 7.439 1.00 0.00 H new ATOM 0 HG SER A 26 4.294 8.561 7.125 1.00 0.00 H new ATOM 427 N VAL A 27 1.719 9.596 3.509 1.00 0.00 N ATOM 428 CA VAL A 27 2.163 9.940 2.125 1.00 0.00 C ATOM 429 C VAL A 27 3.148 11.112 2.168 1.00 0.00 C ATOM 430 O VAL A 27 2.984 12.043 2.934 1.00 0.00 O ATOM 431 CB VAL A 27 0.881 10.333 1.379 1.00 0.00 C ATOM 432 CG1 VAL A 27 1.219 10.720 -0.063 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.091 9.148 1.368 1.00 0.00 C ATOM 0 H VAL A 27 1.216 10.337 3.997 1.00 0.00 H new ATOM 0 HA VAL A 27 2.675 9.112 1.635 1.00 0.00 H new ATOM 0 HB VAL A 27 0.420 11.181 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.306 10.998 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.908 11.564 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.684 9.873 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.001 9.429 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.375 8.300 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.339 8.871 2.393 1.00 0.00 H new ATOM 443 N ASP A 28 4.155 11.082 1.332 1.00 0.00 N ATOM 444 CA ASP A 28 5.140 12.203 1.296 1.00 0.00 C ATOM 445 C ASP A 28 4.961 13.024 0.016 1.00 0.00 C ATOM 446 O ASP A 28 5.462 12.668 -1.034 1.00 0.00 O ATOM 447 CB ASP A 28 6.512 11.527 1.312 1.00 0.00 C ATOM 448 CG ASP A 28 7.595 12.573 1.585 1.00 0.00 C ATOM 449 OD1 ASP A 28 7.733 12.969 2.730 1.00 0.00 O ATOM 450 OD2 ASP A 28 8.267 12.961 0.644 1.00 0.00 O ATOM 0 H ASP A 28 4.337 10.327 0.671 1.00 0.00 H new ATOM 0 HA ASP A 28 5.014 12.889 2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.538 10.753 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.698 11.036 0.357 1.00 0.00 H new ATOM 455 N GLN A 29 4.272 14.133 0.105 1.00 0.00 N ATOM 456 CA GLN A 29 4.079 15.001 -1.095 1.00 0.00 C ATOM 457 C GLN A 29 5.269 15.950 -1.257 1.00 0.00 C ATOM 458 O GLN A 29 5.299 17.024 -0.685 1.00 0.00 O ATOM 459 CB GLN A 29 2.799 15.789 -0.813 1.00 0.00 C ATOM 460 CG GLN A 29 2.204 16.288 -2.131 1.00 0.00 C ATOM 461 CD GLN A 29 1.367 15.177 -2.767 1.00 0.00 C ATOM 462 OE1 GLN A 29 1.812 14.050 -2.874 1.00 0.00 O ATOM 463 NE2 GLN A 29 0.165 15.446 -3.196 1.00 0.00 N ATOM 0 H GLN A 29 3.834 14.475 0.960 1.00 0.00 H new ATOM 0 HA GLN A 29 4.006 14.422 -2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.078 15.158 -0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.016 16.632 -0.158 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.585 17.167 -1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.001 16.591 -2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.209 16.391 -3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.401 14.712 -3.621 1.00 0.00 H new ATOM 472 N SER A 30 6.234 15.572 -2.056 1.00 0.00 N ATOM 473 CA SER A 30 7.414 16.459 -2.288 1.00 0.00 C ATOM 474 C SER A 30 8.073 16.123 -3.628 1.00 0.00 C ATOM 475 O SER A 30 8.275 16.986 -4.462 1.00 0.00 O ATOM 476 CB SER A 30 8.367 16.159 -1.132 1.00 0.00 C ATOM 477 OG SER A 30 7.918 16.836 0.034 1.00 0.00 O ATOM 0 H SER A 30 6.256 14.685 -2.559 1.00 0.00 H new ATOM 0 HA SER A 30 7.138 17.513 -2.326 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.409 15.085 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.377 16.479 -1.386 1.00 0.00 H new ATOM 0 HG SER A 30 6.992 17.131 -0.095 1.00 0.00 H new ATOM 483 N GLY A 31 8.382 14.871 -3.849 1.00 0.00 N ATOM 484 CA GLY A 31 8.999 14.462 -5.145 1.00 0.00 C ATOM 485 C GLY A 31 9.950 13.288 -4.913 1.00 0.00 C ATOM 486 O GLY A 31 11.156 13.445 -4.919 1.00 0.00 O ATOM 0 H GLY A 31 8.233 14.112 -3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.222 14.179 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.541 15.301 -5.582 1.00 0.00 H new ATOM 490 N ILE A 32 9.415 12.107 -4.736 1.00 0.00 N ATOM 491 CA ILE A 32 10.282 10.906 -4.536 1.00 0.00 C ATOM 492 C ILE A 32 9.892 9.800 -5.523 1.00 0.00 C ATOM 493 O ILE A 32 9.192 10.038 -6.489 1.00 0.00 O ATOM 494 CB ILE A 32 10.030 10.462 -3.090 1.00 0.00 C ATOM 495 CG1 ILE A 32 8.542 10.150 -2.889 1.00 0.00 C ATOM 496 CG2 ILE A 32 10.446 11.580 -2.133 1.00 0.00 C ATOM 497 CD1 ILE A 32 8.349 9.420 -1.557 1.00 0.00 C ATOM 0 H ILE A 32 8.412 11.922 -4.721 1.00 0.00 H new ATOM 0 HA ILE A 32 11.335 11.125 -4.710 1.00 0.00 H new ATOM 0 HB ILE A 32 10.616 9.566 -2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.962 11.073 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.174 9.534 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.267 11.265 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.506 11.798 -2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.862 12.476 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.292 9.198 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.917 8.490 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.701 10.052 -0.741 1.00 0.00 H new ATOM 509 N LYS A 33 10.336 8.592 -5.279 1.00 0.00 N ATOM 510 CA LYS A 33 9.990 7.463 -6.195 1.00 0.00 C ATOM 511 C LYS A 33 8.690 6.783 -5.746 1.00 0.00 C ATOM 512 O LYS A 33 7.974 6.213 -6.549 1.00 0.00 O ATOM 513 CB LYS A 33 11.175 6.490 -6.112 1.00 0.00 C ATOM 514 CG LYS A 33 11.363 5.999 -4.672 1.00 0.00 C ATOM 515 CD LYS A 33 12.195 4.715 -4.678 1.00 0.00 C ATOM 516 CE LYS A 33 12.400 4.231 -3.239 1.00 0.00 C ATOM 517 NZ LYS A 33 13.807 3.743 -3.196 1.00 0.00 N ATOM 0 H LYS A 33 10.923 8.339 -4.484 1.00 0.00 H new ATOM 0 HA LYS A 33 9.824 7.805 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.003 5.641 -6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.084 6.983 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.860 6.765 -4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.393 5.815 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.691 3.946 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.159 4.896 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.240 5.038 -2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.698 3.436 -2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.024 3.394 -2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.928 2.971 -3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.452 4.523 -3.435 1.00 0.00 H new ATOM 531 N TYR A 34 8.349 6.895 -4.485 1.00 0.00 N ATOM 532 CA TYR A 34 7.060 6.320 -3.999 1.00 0.00 C ATOM 533 C TYR A 34 6.430 7.243 -2.944 1.00 0.00 C ATOM 534 O TYR A 34 6.784 7.176 -1.784 1.00 0.00 O ATOM 535 CB TYR A 34 7.436 4.973 -3.377 1.00 0.00 C ATOM 536 CG TYR A 34 7.923 4.032 -4.455 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.129 3.785 -5.583 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.169 3.407 -4.327 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.582 2.912 -6.580 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.621 2.534 -5.324 1.00 0.00 C ATOM 541 CZ TYR A 34 8.827 2.288 -6.451 1.00 0.00 C ATOM 542 OH TYR A 34 9.274 1.427 -7.433 1.00 0.00 O ATOM 0 H TYR A 34 8.910 7.361 -3.772 1.00 0.00 H new ATOM 0 HA TYR A 34 6.330 6.210 -4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.213 5.113 -2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.573 4.543 -2.868 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.168 4.268 -5.683 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.782 3.598 -3.459 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.970 2.721 -7.449 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.582 2.051 -5.224 1.00 0.00 H new ATOM 0 HH TYR A 34 10.157 1.081 -7.187 1.00 0.00 H new ATOM 552 N PRO A 35 5.510 8.088 -3.375 1.00 0.00 N ATOM 553 CA PRO A 35 4.838 9.029 -2.434 1.00 0.00 C ATOM 554 C PRO A 35 4.251 8.283 -1.229 1.00 0.00 C ATOM 555 O PRO A 35 4.325 8.748 -0.107 1.00 0.00 O ATOM 556 CB PRO A 35 3.723 9.644 -3.276 1.00 0.00 C ATOM 557 CG PRO A 35 4.189 9.510 -4.689 1.00 0.00 C ATOM 558 CD PRO A 35 5.014 8.254 -4.753 1.00 0.00 C ATOM 0 HA PRO A 35 5.524 9.769 -2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.778 9.124 -3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.559 10.689 -3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.342 9.452 -5.372 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.779 10.377 -4.986 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.417 7.399 -5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.834 8.350 -5.464 1.00 0.00 H new ATOM 566 N VAL A 36 3.565 7.193 -1.471 1.00 0.00 N ATOM 567 CA VAL A 36 2.850 6.491 -0.362 1.00 0.00 C ATOM 568 C VAL A 36 3.789 5.486 0.316 1.00 0.00 C ATOM 569 O VAL A 36 4.420 4.677 -0.337 1.00 0.00 O ATOM 570 CB VAL A 36 1.676 5.767 -1.033 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.858 5.019 0.022 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.776 6.789 -1.734 1.00 0.00 C ATOM 0 H VAL A 36 3.470 6.759 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 36 2.509 7.180 0.411 1.00 0.00 H new ATOM 0 HB VAL A 36 2.065 5.057 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.025 4.506 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.493 4.289 0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.473 5.729 0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.058 6.273 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.393 7.499 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.352 7.323 -2.490 1.00 0.00 H new ATOM 582 N ILE A 37 3.828 5.491 1.625 1.00 0.00 N ATOM 583 CA ILE A 37 4.659 4.490 2.359 1.00 0.00 C ATOM 584 C ILE A 37 3.780 3.325 2.828 1.00 0.00 C ATOM 585 O ILE A 37 2.765 3.524 3.467 1.00 0.00 O ATOM 586 CB ILE A 37 5.237 5.252 3.558 1.00 0.00 C ATOM 587 CG1 ILE A 37 6.094 6.423 3.058 1.00 0.00 C ATOM 588 CG2 ILE A 37 6.109 4.313 4.396 1.00 0.00 C ATOM 589 CD1 ILE A 37 5.934 7.613 4.007 1.00 0.00 C ATOM 0 H ILE A 37 3.319 6.147 2.217 1.00 0.00 H new ATOM 0 HA ILE A 37 5.446 4.065 1.736 1.00 0.00 H new ATOM 0 HB ILE A 37 4.418 5.631 4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.141 6.125 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.791 6.705 2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.518 4.858 5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.505 3.480 4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.926 3.932 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.542 8.445 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.887 7.916 4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.258 7.327 5.007 1.00 0.00 H new ATOM 601 N VAL A 38 4.159 2.116 2.501 1.00 0.00 N ATOM 602 CA VAL A 38 3.344 0.933 2.911 1.00 0.00 C ATOM 603 C VAL A 38 4.081 0.136 3.993 1.00 0.00 C ATOM 604 O VAL A 38 5.228 -0.237 3.825 1.00 0.00 O ATOM 605 CB VAL A 38 3.182 0.095 1.638 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.340 -1.148 1.941 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.477 0.927 0.561 1.00 0.00 C ATOM 0 H VAL A 38 5.000 1.897 1.967 1.00 0.00 H new ATOM 0 HA VAL A 38 2.379 1.221 3.329 1.00 0.00 H new ATOM 0 HB VAL A 38 4.167 -0.208 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.227 -1.741 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.836 -1.746 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.357 -0.843 2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.363 0.330 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.494 1.231 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.072 1.813 0.338 1.00 0.00 H new ATOM 617 N ARG A 39 3.403 -0.196 5.062 1.00 0.00 N ATOM 618 CA ARG A 39 4.026 -1.052 6.115 1.00 0.00 C ATOM 619 C ARG A 39 3.733 -2.528 5.838 1.00 0.00 C ATOM 620 O ARG A 39 2.787 -2.862 5.148 1.00 0.00 O ATOM 621 CB ARG A 39 3.368 -0.611 7.424 1.00 0.00 C ATOM 622 CG ARG A 39 4.393 -0.673 8.558 1.00 0.00 C ATOM 623 CD ARG A 39 3.669 -0.859 9.893 1.00 0.00 C ATOM 624 NE ARG A 39 3.537 0.520 10.455 1.00 0.00 N ATOM 625 CZ ARG A 39 4.584 1.181 10.909 1.00 0.00 C ATOM 626 NH1 ARG A 39 5.782 0.642 10.927 1.00 0.00 N ATOM 627 NH2 ARG A 39 4.426 2.399 11.350 1.00 0.00 N ATOM 0 H ARG A 39 2.442 0.090 5.251 1.00 0.00 H new ATOM 0 HA ARG A 39 5.110 -0.944 6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.981 0.403 7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.519 -1.256 7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.086 -1.497 8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.985 0.242 8.578 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.693 -1.323 9.752 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.236 -1.506 10.563 1.00 0.00 H new ATOM 0 HE ARG A 39 2.617 0.959 10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.919 -0.309 10.585 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.576 1.175 11.283 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.501 2.829 11.341 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.228 2.921 11.704 1.00 0.00 H new ATOM 641 N PHE A 40 4.541 -3.412 6.366 1.00 0.00 N ATOM 642 CA PHE A 40 4.321 -4.871 6.133 1.00 0.00 C ATOM 643 C PHE A 40 4.533 -5.653 7.432 1.00 0.00 C ATOM 644 O PHE A 40 5.398 -5.330 8.224 1.00 0.00 O ATOM 645 CB PHE A 40 5.367 -5.267 5.092 1.00 0.00 C ATOM 646 CG PHE A 40 5.049 -4.596 3.777 1.00 0.00 C ATOM 647 CD1 PHE A 40 5.498 -3.293 3.530 1.00 0.00 C ATOM 648 CD2 PHE A 40 4.305 -5.275 2.806 1.00 0.00 C ATOM 649 CE1 PHE A 40 5.204 -2.669 2.312 1.00 0.00 C ATOM 650 CE2 PHE A 40 4.010 -4.651 1.587 1.00 0.00 C ATOM 651 CZ PHE A 40 4.460 -3.350 1.341 1.00 0.00 C ATOM 0 H PHE A 40 5.346 -3.185 6.950 1.00 0.00 H new ATOM 0 HA PHE A 40 3.307 -5.087 5.795 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.361 -4.975 5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.379 -6.350 4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.072 -2.769 4.280 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.958 -6.280 2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.550 -1.664 2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.435 -5.175 0.837 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.233 -2.870 0.401 1.00 0.00 H new ATOM 661 N GLU A 41 3.795 -6.718 7.618 1.00 0.00 N ATOM 662 CA GLU A 41 3.998 -7.576 8.824 1.00 0.00 C ATOM 663 C GLU A 41 5.082 -8.622 8.551 1.00 0.00 C ATOM 664 O GLU A 41 5.886 -8.932 9.411 1.00 0.00 O ATOM 665 CB GLU A 41 2.647 -8.251 9.062 1.00 0.00 C ATOM 666 CG GLU A 41 1.770 -7.347 9.930 1.00 0.00 C ATOM 667 CD GLU A 41 0.392 -7.988 10.105 1.00 0.00 C ATOM 668 OE1 GLU A 41 -0.350 -8.025 9.139 1.00 0.00 O ATOM 669 OE2 GLU A 41 0.103 -8.432 11.205 1.00 0.00 O ATOM 0 H GLU A 41 3.059 -7.031 6.985 1.00 0.00 H new ATOM 0 HA GLU A 41 4.323 -7.001 9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.154 -8.448 8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.791 -9.214 9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.238 -7.194 10.903 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.670 -6.366 9.466 1.00 0.00 H new ATOM 676 N LYS A 42 5.144 -9.122 7.343 1.00 0.00 N ATOM 677 CA LYS A 42 6.217 -10.095 6.983 1.00 0.00 C ATOM 678 C LYS A 42 7.519 -9.355 6.665 1.00 0.00 C ATOM 679 O LYS A 42 7.552 -8.140 6.610 1.00 0.00 O ATOM 680 CB LYS A 42 5.695 -10.820 5.741 1.00 0.00 C ATOM 681 CG LYS A 42 6.323 -12.212 5.659 1.00 0.00 C ATOM 682 CD LYS A 42 5.365 -13.164 4.942 1.00 0.00 C ATOM 683 CE LYS A 42 4.204 -13.518 5.874 1.00 0.00 C ATOM 684 NZ LYS A 42 3.335 -14.427 5.076 1.00 0.00 N ATOM 0 H LYS A 42 4.495 -8.897 6.589 1.00 0.00 H new ATOM 0 HA LYS A 42 6.436 -10.786 7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.609 -10.902 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.936 -10.248 4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.272 -12.163 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.540 -12.584 6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.986 -12.698 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.892 -14.069 4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.560 -14.007 6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.661 -12.626 6.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.515 -14.714 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.006 -13.932 4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.877 -15.271 4.799 1.00 0.00 H new ATOM 698 N VAL A 43 8.573 -10.081 6.395 1.00 0.00 N ATOM 699 CA VAL A 43 9.860 -9.429 6.008 1.00 0.00 C ATOM 700 C VAL A 43 10.349 -9.974 4.662 1.00 0.00 C ATOM 701 O VAL A 43 9.673 -10.755 4.019 1.00 0.00 O ATOM 702 CB VAL A 43 10.846 -9.782 7.128 1.00 0.00 C ATOM 703 CG1 VAL A 43 10.339 -9.207 8.452 1.00 0.00 C ATOM 704 CG2 VAL A 43 10.975 -11.305 7.253 1.00 0.00 C ATOM 0 H VAL A 43 8.598 -11.100 6.426 1.00 0.00 H new ATOM 0 HA VAL A 43 9.754 -8.351 5.891 1.00 0.00 H new ATOM 0 HB VAL A 43 11.822 -9.358 6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.039 -9.457 9.249 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.255 -8.123 8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.361 -9.630 8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.677 -11.546 8.051 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.001 -11.735 7.485 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.339 -11.718 6.312 1.00 0.00 H new ATOM 714 N ASN A 44 11.532 -9.593 4.253 1.00 0.00 N ATOM 715 CA ASN A 44 12.091 -10.112 2.968 1.00 0.00 C ATOM 716 C ASN A 44 13.311 -10.998 3.241 1.00 0.00 C ATOM 717 O ASN A 44 13.535 -11.435 4.355 1.00 0.00 O ATOM 718 CB ASN A 44 12.488 -8.865 2.169 1.00 0.00 C ATOM 719 CG ASN A 44 13.520 -8.039 2.949 1.00 0.00 C ATOM 720 OD1 ASN A 44 13.760 -8.282 4.115 1.00 0.00 O ATOM 721 ND2 ASN A 44 14.144 -7.065 2.345 1.00 0.00 N ATOM 0 H ASN A 44 12.137 -8.943 4.755 1.00 0.00 H new ATOM 0 HA ASN A 44 11.373 -10.726 2.423 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.902 -9.159 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.605 -8.259 1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.832 -6.509 2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.943 -6.860 1.366 1.00 0.00 H new ATOM 728 N TYR A 45 14.094 -11.270 2.229 1.00 0.00 N ATOM 729 CA TYR A 45 15.299 -12.137 2.418 1.00 0.00 C ATOM 730 C TYR A 45 16.264 -11.493 3.418 1.00 0.00 C ATOM 731 O TYR A 45 17.015 -12.172 4.092 1.00 0.00 O ATOM 732 CB TYR A 45 15.948 -12.234 1.036 1.00 0.00 C ATOM 733 CG TYR A 45 15.073 -13.062 0.125 1.00 0.00 C ATOM 734 CD1 TYR A 45 14.923 -14.435 0.357 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.411 -12.457 -0.950 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.111 -15.202 -0.487 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.600 -13.224 -1.793 1.00 0.00 C ATOM 738 CZ TYR A 45 13.449 -14.597 -1.563 1.00 0.00 C ATOM 739 OH TYR A 45 12.648 -15.353 -2.394 1.00 0.00 O ATOM 0 H TYR A 45 13.952 -10.929 1.278 1.00 0.00 H new ATOM 0 HA TYR A 45 15.038 -13.119 2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 45 16.087 -11.237 0.617 1.00 0.00 H new ATOM 0 HB3 TYR A 45 16.936 -12.686 1.118 1.00 0.00 H new ATOM 0 HD1 TYR A 45 15.433 -14.902 1.186 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.526 -11.398 -1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 45 13.995 -16.261 -0.308 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.090 -12.757 -2.622 1.00 0.00 H new ATOM 0 HH TYR A 45 12.263 -14.779 -3.088 1.00 0.00 H new ATOM 749 N SER A 46 16.258 -10.186 3.504 1.00 0.00 N ATOM 750 CA SER A 46 17.185 -9.488 4.444 1.00 0.00 C ATOM 751 C SER A 46 16.545 -9.369 5.830 1.00 0.00 C ATOM 752 O SER A 46 16.940 -10.042 6.763 1.00 0.00 O ATOM 753 CB SER A 46 17.400 -8.104 3.832 1.00 0.00 C ATOM 754 OG SER A 46 18.463 -8.168 2.889 1.00 0.00 O ATOM 0 H SER A 46 15.650 -9.572 2.962 1.00 0.00 H new ATOM 0 HA SER A 46 18.123 -10.027 4.574 1.00 0.00 H new ATOM 0 HB2 SER A 46 16.486 -7.763 3.345 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.634 -7.381 4.613 1.00 0.00 H new ATOM 0 HG SER A 46 18.603 -7.283 2.493 1.00 0.00 H new ATOM 760 N GLY A 47 15.562 -8.515 5.968 1.00 0.00 N ATOM 761 CA GLY A 47 14.891 -8.344 7.291 1.00 0.00 C ATOM 762 C GLY A 47 14.327 -6.925 7.398 1.00 0.00 C ATOM 763 O GLY A 47 14.770 -6.133 8.208 1.00 0.00 O ATOM 0 H GLY A 47 15.195 -7.928 5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.090 -9.075 7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.602 -8.526 8.097 1.00 0.00 H new ATOM 767 N ILE A 55 13.354 -6.603 6.584 1.00 0.00 N ATOM 768 CA ILE A 55 12.753 -5.235 6.630 1.00 0.00 C ATOM 769 C ILE A 55 11.228 -5.339 6.733 1.00 0.00 C ATOM 770 O ILE A 55 10.647 -6.369 6.446 1.00 0.00 O ATOM 771 CB ILE A 55 13.164 -4.573 5.309 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.691 -4.513 5.217 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.601 -3.150 5.246 1.00 0.00 C ATOM 774 CD1 ILE A 55 15.105 -4.233 3.771 1.00 0.00 C ATOM 0 H ILE A 55 12.949 -7.229 5.888 1.00 0.00 H new ATOM 0 HA ILE A 55 13.093 -4.659 7.491 1.00 0.00 H new ATOM 0 HB ILE A 55 12.769 -5.159 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.075 -3.733 5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.123 -5.455 5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.895 -2.684 4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.513 -3.186 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.993 -2.566 6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.192 -4.190 3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.734 -5.029 3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.685 -3.280 3.450 1.00 0.00 H new ATOM 786 N ASN A 56 10.576 -4.271 7.121 1.00 0.00 N ATOM 787 CA ASN A 56 9.085 -4.292 7.222 1.00 0.00 C ATOM 788 C ASN A 56 8.514 -2.891 6.978 1.00 0.00 C ATOM 789 O ASN A 56 7.431 -2.568 7.430 1.00 0.00 O ATOM 790 CB ASN A 56 8.784 -4.762 8.651 1.00 0.00 C ATOM 791 CG ASN A 56 9.425 -3.807 9.664 1.00 0.00 C ATOM 792 OD1 ASN A 56 10.605 -3.899 9.940 1.00 0.00 O ATOM 793 ND2 ASN A 56 8.692 -2.890 10.233 1.00 0.00 N ATOM 0 H ASN A 56 11.013 -3.384 7.372 1.00 0.00 H new ATOM 0 HA ASN A 56 8.633 -4.948 6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.706 -4.803 8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.167 -5.772 8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.109 -2.251 10.909 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.702 -2.812 10.002 1.00 0.00 H new ATOM 800 N THR A 57 9.207 -2.082 6.216 1.00 0.00 N ATOM 801 CA THR A 57 8.679 -0.726 5.879 1.00 0.00 C ATOM 802 C THR A 57 9.289 -0.234 4.564 1.00 0.00 C ATOM 803 O THR A 57 10.406 0.247 4.530 1.00 0.00 O ATOM 804 CB THR A 57 9.114 0.171 7.040 1.00 0.00 C ATOM 805 OG1 THR A 57 10.451 -0.143 7.404 1.00 0.00 O ATOM 806 CG2 THR A 57 8.190 -0.057 8.237 1.00 0.00 C ATOM 0 H THR A 57 10.117 -2.303 5.812 1.00 0.00 H new ATOM 0 HA THR A 57 7.597 -0.726 5.748 1.00 0.00 H new ATOM 0 HB THR A 57 9.057 1.216 6.734 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.009 -0.182 6.599 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.501 0.582 9.063 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.165 0.185 7.957 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.245 -1.101 8.545 1.00 0.00 H new ATOM 814 N ASN A 58 8.544 -0.310 3.491 1.00 0.00 N ATOM 815 CA ASN A 58 9.052 0.197 2.180 1.00 0.00 C ATOM 816 C ASN A 58 8.160 1.332 1.672 1.00 0.00 C ATOM 817 O ASN A 58 7.252 1.772 2.352 1.00 0.00 O ATOM 818 CB ASN A 58 8.982 -1.004 1.237 1.00 0.00 C ATOM 819 CG ASN A 58 10.344 -1.703 1.197 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.885 -2.113 2.311 1.00 0.00 O flip ATOM 821 ND2 ASN A 58 10.919 -1.876 0.142 1.00 0.00 N flip ATOM 0 H ASN A 58 7.603 -0.702 3.466 1.00 0.00 H new ATOM 0 HA ASN A 58 10.063 0.597 2.255 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.214 -1.700 1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.699 -0.678 0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.495 -1.555 -0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.826 -2.342 0.126 1.00 0.00 H new ATOM 828 N ASN A 59 8.409 1.804 0.475 1.00 0.00 N ATOM 829 CA ASN A 59 7.575 2.906 -0.091 1.00 0.00 C ATOM 830 C ASN A 59 7.022 2.501 -1.460 1.00 0.00 C ATOM 831 O ASN A 59 7.749 2.043 -2.321 1.00 0.00 O ATOM 832 CB ASN A 59 8.529 4.094 -0.228 1.00 0.00 C ATOM 833 CG ASN A 59 9.045 4.497 1.155 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.572 3.678 1.882 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.917 5.733 1.551 1.00 0.00 N ATOM 0 H ASN A 59 9.156 1.472 -0.135 1.00 0.00 H new ATOM 0 HA ASN A 59 6.718 3.142 0.540 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.364 3.830 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.015 4.934 -0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.259 6.012 2.471 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.475 6.421 0.941 1.00 0.00 H new ATOM 842 N PHE A 60 5.749 2.713 -1.680 1.00 0.00 N ATOM 843 CA PHE A 60 5.150 2.395 -3.010 1.00 0.00 C ATOM 844 C PHE A 60 4.351 3.592 -3.531 1.00 0.00 C ATOM 845 O PHE A 60 3.964 4.465 -2.776 1.00 0.00 O ATOM 846 CB PHE A 60 4.224 1.204 -2.753 1.00 0.00 C ATOM 847 CG PHE A 60 5.039 0.023 -2.285 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.495 -0.033 -0.962 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.340 -1.018 -3.173 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.250 -1.128 -0.527 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.095 -2.113 -2.737 1.00 0.00 C ATOM 852 CZ PHE A 60 6.550 -2.168 -1.415 1.00 0.00 C ATOM 0 H PHE A 60 5.098 3.094 -0.993 1.00 0.00 H new ATOM 0 HA PHE A 60 5.908 2.169 -3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.478 1.465 -2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.683 0.948 -3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.264 0.769 -0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.990 -0.976 -4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.601 -1.171 0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.326 -2.916 -3.421 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.133 -3.013 -1.079 1.00 0.00 H new ATOM 862 N ALA A 61 4.087 3.628 -4.812 1.00 0.00 N ATOM 863 CA ALA A 61 3.294 4.755 -5.387 1.00 0.00 C ATOM 864 C ALA A 61 1.804 4.401 -5.399 1.00 0.00 C ATOM 865 O ALA A 61 1.433 3.242 -5.416 1.00 0.00 O ATOM 866 CB ALA A 61 3.816 4.919 -6.815 1.00 0.00 C ATOM 0 H ALA A 61 4.387 2.924 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 61 3.399 5.672 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.281 5.731 -7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.881 5.149 -6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.658 3.993 -7.369 1.00 0.00 H new ATOM 872 N GLU A 62 0.950 5.393 -5.370 1.00 0.00 N ATOM 873 CA GLU A 62 -0.523 5.122 -5.356 1.00 0.00 C ATOM 874 C GLU A 62 -0.934 4.333 -6.605 1.00 0.00 C ATOM 875 O GLU A 62 -1.883 3.571 -6.580 1.00 0.00 O ATOM 876 CB GLU A 62 -1.194 6.503 -5.341 1.00 0.00 C ATOM 877 CG GLU A 62 -0.765 7.310 -6.572 1.00 0.00 C ATOM 878 CD GLU A 62 -1.646 8.554 -6.697 1.00 0.00 C ATOM 879 OE1 GLU A 62 -2.705 8.448 -7.293 1.00 0.00 O ATOM 880 OE2 GLU A 62 -1.247 9.592 -6.195 1.00 0.00 O ATOM 0 H GLU A 62 1.208 6.380 -5.355 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.818 4.523 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.278 6.389 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.921 7.039 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.282 7.600 -6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.852 6.698 -7.470 1.00 0.00 H new ATOM 887 N ASP A 63 -0.194 4.471 -7.676 1.00 0.00 N ATOM 888 CA ASP A 63 -0.501 3.685 -8.912 1.00 0.00 C ATOM 889 C ASP A 63 -0.184 2.200 -8.695 1.00 0.00 C ATOM 890 O ASP A 63 -0.746 1.338 -9.344 1.00 0.00 O ATOM 891 CB ASP A 63 0.395 4.278 -10.008 1.00 0.00 C ATOM 892 CG ASP A 63 1.867 4.166 -9.599 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.342 3.050 -9.468 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.495 5.198 -9.427 1.00 0.00 O ATOM 0 H ASP A 63 0.610 5.094 -7.749 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.556 3.745 -9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.229 3.752 -10.948 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.134 5.323 -10.177 1.00 0.00 H new ATOM 899 N GLU A 64 0.722 1.901 -7.797 1.00 0.00 N ATOM 900 CA GLU A 64 1.091 0.475 -7.544 1.00 0.00 C ATOM 901 C GLU A 64 0.316 -0.070 -6.341 1.00 0.00 C ATOM 902 O GLU A 64 0.762 -0.981 -5.668 1.00 0.00 O ATOM 903 CB GLU A 64 2.591 0.501 -7.247 1.00 0.00 C ATOM 904 CG GLU A 64 3.373 0.371 -8.556 1.00 0.00 C ATOM 905 CD GLU A 64 4.747 1.025 -8.396 1.00 0.00 C ATOM 906 OE1 GLU A 64 4.831 2.021 -7.696 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.694 0.519 -8.977 1.00 0.00 O ATOM 0 H GLU A 64 1.222 2.584 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 64 0.853 -0.168 -8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.857 1.430 -6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.853 -0.314 -6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.487 -0.680 -8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.824 0.847 -9.369 1.00 0.00 H new ATOM 914 N LEU A 65 -0.856 0.457 -6.090 1.00 0.00 N ATOM 915 CA LEU A 65 -1.686 -0.054 -4.957 1.00 0.00 C ATOM 916 C LEU A 65 -3.155 -0.145 -5.376 1.00 0.00 C ATOM 917 O LEU A 65 -3.753 0.833 -5.785 1.00 0.00 O ATOM 918 CB LEU A 65 -1.509 0.976 -3.841 1.00 0.00 C ATOM 919 CG LEU A 65 -0.084 0.897 -3.292 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.136 2.022 -2.278 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.124 -0.455 -2.603 1.00 0.00 C ATOM 0 H LEU A 65 -1.274 1.220 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.384 -1.053 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.708 1.978 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.228 0.790 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 65 0.626 1.001 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.152 1.966 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.012 2.985 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.575 1.917 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.140 -0.511 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.587 -0.559 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.033 -1.258 -3.323 1.00 0.00 H new ATOM 933 N VAL A 66 -3.760 -1.292 -5.198 1.00 0.00 N ATOM 934 CA VAL A 66 -5.217 -1.434 -5.499 1.00 0.00 C ATOM 935 C VAL A 66 -6.010 -1.551 -4.193 1.00 0.00 C ATOM 936 O VAL A 66 -5.580 -2.194 -3.254 1.00 0.00 O ATOM 937 CB VAL A 66 -5.335 -2.721 -6.322 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.800 -2.960 -6.698 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.503 -2.589 -7.602 1.00 0.00 C ATOM 0 H VAL A 66 -3.306 -2.139 -4.856 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.615 -0.575 -6.039 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.968 -3.559 -5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.881 -3.876 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.398 -3.055 -5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.166 -2.119 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.587 -3.505 -8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.871 -1.748 -8.190 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.458 -2.420 -7.341 1.00 0.00 H new ATOM 949 N GLU A 67 -7.169 -0.946 -4.137 1.00 0.00 N ATOM 950 CA GLU A 67 -8.006 -1.033 -2.902 1.00 0.00 C ATOM 951 C GLU A 67 -8.720 -2.386 -2.840 1.00 0.00 C ATOM 952 O GLU A 67 -9.585 -2.677 -3.645 1.00 0.00 O ATOM 953 CB GLU A 67 -9.023 0.103 -3.027 1.00 0.00 C ATOM 954 CG GLU A 67 -8.507 1.336 -2.280 1.00 0.00 C ATOM 955 CD GLU A 67 -9.057 1.334 -0.852 1.00 0.00 C ATOM 956 OE1 GLU A 67 -9.112 0.268 -0.261 1.00 0.00 O ATOM 957 OE2 GLU A 67 -9.413 2.399 -0.375 1.00 0.00 O ATOM 0 H GLU A 67 -7.573 -0.395 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.409 -0.946 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.188 0.344 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.984 -0.208 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.417 1.334 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.815 2.244 -2.799 1.00 0.00 H new ATOM 964 N VAL A 68 -8.379 -3.202 -1.876 1.00 0.00 N ATOM 965 CA VAL A 68 -9.052 -4.530 -1.736 1.00 0.00 C ATOM 966 C VAL A 68 -9.850 -4.586 -0.428 1.00 0.00 C ATOM 967 O VAL A 68 -9.749 -5.533 0.328 1.00 0.00 O ATOM 968 CB VAL A 68 -7.918 -5.562 -1.725 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.170 -5.510 -3.059 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.939 -5.257 -0.582 1.00 0.00 C ATOM 0 H VAL A 68 -7.662 -3.006 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.758 -4.718 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.342 -6.555 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.363 -6.243 -3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.860 -5.736 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.753 -4.513 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.137 -5.996 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.516 -4.262 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.468 -5.297 0.370 1.00 0.00 H new ATOM 980 N GLU A 69 -10.668 -3.595 -0.182 1.00 0.00 N ATOM 981 CA GLU A 69 -11.511 -3.602 1.051 1.00 0.00 C ATOM 982 C GLU A 69 -12.748 -4.479 0.841 1.00 0.00 C ATOM 983 O GLU A 69 -13.098 -4.815 -0.275 1.00 0.00 O ATOM 984 CB GLU A 69 -11.918 -2.143 1.262 1.00 0.00 C ATOM 985 CG GLU A 69 -12.105 -1.876 2.758 1.00 0.00 C ATOM 986 CD GLU A 69 -10.758 -1.997 3.472 1.00 0.00 C ATOM 987 OE1 GLU A 69 -10.056 -1.001 3.542 1.00 0.00 O ATOM 988 OE2 GLU A 69 -10.451 -3.082 3.935 1.00 0.00 O ATOM 0 H GLU A 69 -10.789 -2.780 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.978 -4.005 1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.155 -1.479 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.843 -1.931 0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.521 -0.880 2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.816 -2.587 3.179 1.00 0.00 H new ATOM 995 N ALA A 70 -13.423 -4.832 1.906 1.00 0.00 N ATOM 996 CA ALA A 70 -14.656 -5.666 1.777 1.00 0.00 C ATOM 997 C ALA A 70 -15.863 -4.780 1.434 1.00 0.00 C ATOM 998 O ALA A 70 -15.737 -3.572 1.370 1.00 0.00 O ATOM 999 CB ALA A 70 -14.839 -6.316 3.148 1.00 0.00 C ATOM 0 H ALA A 70 -13.172 -4.578 2.861 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.572 -6.408 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.727 -6.947 3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.965 -6.924 3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.955 -5.541 3.906 1.00 0.00 H new ATOM 1005 N PRO A 71 -17.008 -5.402 1.222 1.00 0.00 N ATOM 1006 CA PRO A 71 -18.242 -4.636 0.883 1.00 0.00 C ATOM 1007 C PRO A 71 -18.503 -3.530 1.914 1.00 0.00 C ATOM 1008 O PRO A 71 -18.229 -3.689 3.090 1.00 0.00 O ATOM 1009 CB PRO A 71 -19.346 -5.690 0.939 1.00 0.00 C ATOM 1010 CG PRO A 71 -18.651 -6.988 0.694 1.00 0.00 C ATOM 1011 CD PRO A 71 -17.267 -6.853 1.270 1.00 0.00 C ATOM 0 HA PRO A 71 -18.174 -4.137 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -19.847 -5.687 1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -20.110 -5.502 0.184 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -19.188 -7.810 1.167 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -18.607 -7.208 -0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.219 -7.235 2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.534 -7.410 0.686 1.00 0.00 H new ATOM 1019 N LYS A 72 -19.053 -2.423 1.482 1.00 0.00 N ATOM 1020 CA LYS A 72 -19.362 -1.314 2.433 1.00 0.00 C ATOM 1021 C LYS A 72 -20.695 -0.657 2.062 1.00 0.00 C ATOM 1022 O LYS A 72 -21.039 -0.546 0.900 1.00 0.00 O ATOM 1023 CB LYS A 72 -18.212 -0.321 2.270 1.00 0.00 C ATOM 1024 CG LYS A 72 -18.383 0.827 3.267 1.00 0.00 C ATOM 1025 CD LYS A 72 -17.789 0.424 4.618 1.00 0.00 C ATOM 1026 CE LYS A 72 -17.446 1.681 5.422 1.00 0.00 C ATOM 1027 NZ LYS A 72 -16.094 2.084 4.944 1.00 0.00 N ATOM 0 H LYS A 72 -19.301 -2.240 0.510 1.00 0.00 H new ATOM 0 HA LYS A 72 -19.455 -1.664 3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -17.258 -0.822 2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -18.194 0.067 1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.888 1.724 2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -19.440 1.070 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.499 -0.191 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.894 -0.180 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.177 2.471 5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.442 1.476 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.005 3.119 4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.368 1.648 5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.964 1.766 3.962 1.00 0.00 H new ATOM 1041 N ALA A 73 -21.433 -0.200 3.041 1.00 0.00 N ATOM 1042 CA ALA A 73 -22.733 0.478 2.754 1.00 0.00 C ATOM 1043 C ALA A 73 -22.497 1.951 2.413 1.00 0.00 C ATOM 1044 O ALA A 73 -21.822 2.663 3.132 1.00 0.00 O ATOM 1045 CB ALA A 73 -23.540 0.350 4.047 1.00 0.00 C ATOM 0 H ALA A 73 -21.191 -0.267 4.029 1.00 0.00 H new ATOM 0 HA ALA A 73 -23.251 0.034 1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -24.512 0.825 3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -23.680 -0.704 4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -23.003 0.838 4.861 1.00 0.00 H new ATOM 1051 N LYS A 74 -23.072 2.417 1.333 1.00 0.00 N ATOM 1052 CA LYS A 74 -22.911 3.853 0.952 1.00 0.00 C ATOM 1053 C LYS A 74 -24.225 4.614 1.188 1.00 0.00 C ATOM 1054 O LYS A 74 -25.264 4.005 1.353 1.00 0.00 O ATOM 1055 CB LYS A 74 -22.565 3.830 -0.538 1.00 0.00 C ATOM 1056 CG LYS A 74 -21.046 3.870 -0.709 1.00 0.00 C ATOM 1057 CD LYS A 74 -20.703 4.365 -2.116 1.00 0.00 C ATOM 1058 CE LYS A 74 -19.389 3.730 -2.576 1.00 0.00 C ATOM 1059 NZ LYS A 74 -18.749 4.757 -3.444 1.00 0.00 N ATOM 0 H LYS A 74 -23.647 1.864 0.698 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.143 4.354 1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.970 2.931 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -23.021 4.683 -1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.603 4.529 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.625 2.877 -0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.505 4.109 -2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.615 5.451 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.753 3.479 -1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -19.568 2.805 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.841 4.395 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -19.374 4.971 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -18.584 5.624 -2.893 1.00 0.00 H new ATOM 1073 N PRO A 75 -24.147 5.932 1.197 1.00 0.00 N ATOM 1074 CA PRO A 75 -25.362 6.768 1.417 1.00 0.00 C ATOM 1075 C PRO A 75 -26.480 6.380 0.440 1.00 0.00 C ATOM 1076 O PRO A 75 -26.302 5.536 -0.418 1.00 0.00 O ATOM 1077 CB PRO A 75 -24.878 8.189 1.138 1.00 0.00 C ATOM 1078 CG PRO A 75 -23.406 8.149 1.383 1.00 0.00 C ATOM 1079 CD PRO A 75 -22.944 6.764 1.013 1.00 0.00 C ATOM 0 HA PRO A 75 -25.779 6.647 2.417 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -25.100 8.488 0.114 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -25.368 8.909 1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -22.893 8.901 0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -23.181 8.366 2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -22.583 6.724 -0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -22.126 6.431 1.652 1.00 0.00 H new ATOM 1087 N LYS A 76 -27.627 7.009 0.553 1.00 0.00 N ATOM 1088 CA LYS A 76 -28.766 6.709 -0.379 1.00 0.00 C ATOM 1089 C LYS A 76 -29.064 5.205 -0.407 1.00 0.00 C ATOM 1090 O LYS A 76 -28.424 4.425 0.273 1.00 0.00 O ATOM 1091 CB LYS A 76 -28.303 7.191 -1.757 1.00 0.00 C ATOM 1092 CG LYS A 76 -28.638 8.675 -1.919 1.00 0.00 C ATOM 1093 CD LYS A 76 -27.521 9.521 -1.305 1.00 0.00 C ATOM 1094 CE LYS A 76 -27.441 10.866 -2.030 1.00 0.00 C ATOM 1095 NZ LYS A 76 -26.631 10.596 -3.251 1.00 0.00 N ATOM 0 H LYS A 76 -27.826 7.722 1.255 1.00 0.00 H new ATOM 0 HA LYS A 76 -29.685 7.204 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -27.230 7.036 -1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -28.791 6.610 -2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -28.755 8.919 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -29.588 8.899 -1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -27.712 9.679 -0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -26.569 8.997 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -28.434 11.235 -2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -26.971 11.625 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -25.717 11.087 -3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -26.468 9.573 -3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -27.142 10.940 -4.089 1.00 0.00 H new ATOM 1109 N LYS A 77 -30.016 4.795 -1.208 1.00 0.00 N ATOM 1110 CA LYS A 77 -30.343 3.343 -1.311 1.00 0.00 C ATOM 1111 C LYS A 77 -29.733 2.750 -2.584 1.00 0.00 C ATOM 1112 O LYS A 77 -30.205 3.091 -3.656 1.00 0.00 O ATOM 1113 CB LYS A 77 -31.870 3.284 -1.369 1.00 0.00 C ATOM 1114 CG LYS A 77 -32.356 1.982 -0.728 1.00 0.00 C ATOM 1115 CD LYS A 77 -33.713 2.217 -0.063 1.00 0.00 C ATOM 1116 CE LYS A 77 -33.927 1.179 1.041 1.00 0.00 C ATOM 1117 NZ LYS A 77 -34.715 1.888 2.087 1.00 0.00 N ATOM 1118 OXT LYS A 77 -28.805 1.968 -2.465 1.00 0.00 O ATOM 0 H LYS A 77 -30.582 5.407 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 77 -29.944 2.770 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -32.298 4.140 -0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -32.208 3.340 -2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -32.440 1.201 -1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -31.633 1.635 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -33.756 3.223 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -34.510 2.146 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -34.463 0.308 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -32.976 0.822 1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -34.902 1.241 2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -34.177 2.709 2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -35.617 2.210 1.683 1.00 0.00 H new TER 1132 LYS A 77