USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 753 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 NoAdj-H: A 7 HIS HD1 : A 7 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 104 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 104 ZNZN :(H bumps) USER MOD Set 1.1: A 69 TYR OH : rot 167:sc= -1.11! USER MOD Set 1.2: A 95 ASN : amide:sc= -2.54! C(o=-3.6!,f=-12!) USER MOD Set 2.1: A 21 CYS SG : rot 158:sc= 1.28 USER MOD Set 2.2: A 24 CYS SG : rot -135:sc= 0.112 USER MOD Set 2.3: A 29 SER OG : rot -164:sc= 1.15 USER MOD Set 2.4: A 45 CYS SG : rot -138:sc= -1.19! USER MOD Set 2.5: A 51 HIS : no HE2:sc= 0.549! C(o=1.9!,f=-8.9!) USER MOD Set 3.1: A 17 SER OG : rot -120:sc= -1.73! USER MOD Set 3.2: A 42 HIS : no HD1:sc= 0 X(o=-1.7,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.0524 (180deg=-0.173) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.04) USER MOD Single : A 33 HIS : no HE2:sc= 0.346 K(o=0.35,f=-4.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -133:sc= 0.644 USER MOD Single : A 49 SER OG : rot 130:sc= 0.716 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.847 K(o=-0.85,f=-4.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00263 USER MOD Single : A 59 HIS : no HD1:sc= -0.0708 X(o=-0.071,f=-0.0025) USER MOD Single : A 61 THR OG1 : rot -168:sc= 0.633 USER MOD Single : A 79 TYR OH : rot -119:sc= 0.807 USER MOD Single : A 84 MET CE :methyl -160:sc= -0.162 (180deg=-0.823) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -140:sc= -0.273 (180deg=-1.67) USER MOD Single : A 92 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 94 HIS : no HD1:sc=-0.000654 X(o=-0.00065,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.403 1.568 0.427 1.00 0.00 N ATOM 2 CA MET A 1 3.207 0.715 0.245 1.00 0.00 C ATOM 3 C MET A 1 3.386 -0.206 -0.957 1.00 0.00 C ATOM 4 O MET A 1 3.369 0.230 -2.108 1.00 0.00 O ATOM 5 CB MET A 1 1.944 1.576 0.086 1.00 0.00 C ATOM 6 CG MET A 1 2.031 2.608 -1.026 1.00 0.00 C ATOM 7 SD MET A 1 0.537 3.601 -1.172 1.00 0.00 S ATOM 8 CE MET A 1 1.015 4.734 -2.474 1.00 0.00 C ATOM 0 H1 MET A 1 4.213 2.280 1.161 1.00 0.00 H new ATOM 0 H2 MET A 1 5.209 0.978 0.717 1.00 0.00 H new ATOM 0 H3 MET A 1 4.628 2.046 -0.469 1.00 0.00 H new ATOM 0 HA MET A 1 3.087 0.098 1.136 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.094 0.922 -0.106 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.746 2.088 1.027 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.882 3.264 -0.841 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.219 2.101 -1.972 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.192 5.418 -2.682 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.889 5.303 -2.158 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.255 4.171 -3.376 1.00 0.00 H new ATOM 20 N THR A 2 3.597 -1.479 -0.680 1.00 0.00 N ATOM 21 CA THR A 2 3.757 -2.468 -1.727 1.00 0.00 C ATOM 22 C THR A 2 2.568 -3.421 -1.752 1.00 0.00 C ATOM 23 O THR A 2 1.774 -3.413 -2.695 1.00 0.00 O ATOM 24 CB THR A 2 5.058 -3.267 -1.529 1.00 0.00 C ATOM 25 OG1 THR A 2 6.160 -2.362 -1.379 1.00 0.00 O ATOM 26 CG2 THR A 2 5.316 -4.193 -2.708 1.00 0.00 C ATOM 0 H THR A 2 3.662 -1.853 0.267 1.00 0.00 H new ATOM 0 HA THR A 2 3.809 -1.941 -2.680 1.00 0.00 H new ATOM 0 HB THR A 2 4.953 -3.876 -0.631 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.987 -2.872 -1.251 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.241 -4.745 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.488 -4.895 -2.808 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.404 -3.604 -3.621 1.00 0.00 H new ATOM 34 N MET A 3 2.432 -4.220 -0.701 1.00 0.00 N ATOM 35 CA MET A 3 1.376 -5.216 -0.632 1.00 0.00 C ATOM 36 C MET A 3 1.069 -5.566 0.818 1.00 0.00 C ATOM 37 O MET A 3 1.978 -5.670 1.643 1.00 0.00 O ATOM 38 CB MET A 3 1.794 -6.480 -1.396 1.00 0.00 C ATOM 39 CG MET A 3 0.722 -7.558 -1.428 1.00 0.00 C ATOM 40 SD MET A 3 1.256 -9.047 -2.297 1.00 0.00 S ATOM 41 CE MET A 3 -0.212 -10.064 -2.149 1.00 0.00 C ATOM 0 H MET A 3 3.042 -4.196 0.116 1.00 0.00 H new ATOM 0 HA MET A 3 0.478 -4.802 -1.090 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.052 -6.207 -2.419 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.695 -6.889 -0.938 1.00 0.00 H new ATOM 0 HG2 MET A 3 0.444 -7.818 -0.407 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.172 -7.162 -1.910 1.00 0.00 H new ATOM 0 HE1 MET A 3 -0.041 -11.023 -2.639 1.00 0.00 H new ATOM 0 HE2 MET A 3 -0.435 -10.229 -1.095 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.054 -9.559 -2.623 1.00 0.00 H new ATOM 51 N GLY A 4 -0.211 -5.722 1.126 1.00 0.00 N ATOM 52 CA GLY A 4 -0.606 -6.177 2.441 1.00 0.00 C ATOM 53 C GLY A 4 -0.523 -7.686 2.550 1.00 0.00 C ATOM 54 O GLY A 4 -0.161 -8.363 1.586 1.00 0.00 O ATOM 0 H GLY A 4 -0.984 -5.541 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.036 -5.720 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.625 -5.851 2.650 1.00 0.00 H new ATOM 58 N CYS A 5 -0.852 -8.225 3.711 1.00 0.00 N ATOM 59 CA CYS A 5 -0.800 -9.665 3.906 1.00 0.00 C ATOM 60 C CYS A 5 -1.815 -10.090 4.961 1.00 0.00 C ATOM 61 O CYS A 5 -2.338 -9.246 5.689 1.00 0.00 O ATOM 62 CB CYS A 5 0.611 -10.094 4.307 1.00 0.00 C ATOM 63 SG CYS A 5 1.131 -9.542 5.961 1.00 0.00 S ATOM 0 H CYS A 5 -1.156 -7.694 4.527 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.054 -10.158 2.967 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.671 -11.182 4.266 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.317 -9.708 3.571 1.00 0.00 H new ATOM 68 N ARG A 6 -2.077 -11.394 5.054 1.00 0.00 N ATOM 69 CA ARG A 6 -3.092 -11.922 5.973 1.00 0.00 C ATOM 70 C ARG A 6 -2.785 -11.559 7.429 1.00 0.00 C ATOM 71 O ARG A 6 -3.688 -11.485 8.262 1.00 0.00 O ATOM 72 CB ARG A 6 -3.213 -13.442 5.816 1.00 0.00 C ATOM 73 CG ARG A 6 -1.956 -14.209 6.196 1.00 0.00 C ATOM 74 CD ARG A 6 -1.993 -15.639 5.679 1.00 0.00 C ATOM 75 NE ARG A 6 -3.128 -16.397 6.202 1.00 0.00 N ATOM 76 CZ ARG A 6 -3.775 -17.334 5.505 1.00 0.00 C ATOM 77 NH1 ARG A 6 -3.408 -17.620 4.262 1.00 0.00 N ATOM 78 NH2 ARG A 6 -4.781 -17.999 6.051 1.00 0.00 N ATOM 0 H ARG A 6 -1.600 -12.108 4.503 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.044 -11.460 5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.041 -13.795 6.431 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.466 -13.670 4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.082 -13.698 5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.848 -14.217 7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.040 -15.627 4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.067 -16.144 5.952 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.443 -16.199 7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.627 -17.123 3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.907 -18.337 3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.066 -17.797 7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.271 -18.714 5.513 1.00 0.00 H new ATOM 92 N HIS A 7 -1.511 -11.319 7.725 1.00 0.00 N ATOM 93 CA HIS A 7 -1.091 -10.919 9.068 1.00 0.00 C ATOM 94 C HIS A 7 -1.707 -9.577 9.466 1.00 0.00 C ATOM 95 O HIS A 7 -1.857 -9.284 10.651 1.00 0.00 O ATOM 96 CB HIS A 7 0.433 -10.821 9.158 1.00 0.00 C ATOM 97 CG HIS A 7 1.148 -12.117 8.939 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.225 -12.201 8.097 1.00 0.00 N ATOM 99 CD2 HIS A 7 0.921 -13.335 9.487 1.00 0.00 C ATOM 100 CE1 HIS A 7 2.631 -13.454 8.147 1.00 0.00 C ATOM 101 NE2 HIS A 7 1.871 -14.183 8.977 1.00 0.00 N ATOM 0 H HIS A 7 -0.748 -11.394 7.052 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.443 -11.687 9.757 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.783 -10.098 8.421 1.00 0.00 H new ATOM 0 HB3 HIS A 7 0.703 -10.432 10.140 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.142 -13.589 10.190 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.470 -13.844 7.590 1.00 0.00 H new ATOM 0 HE2 HIS A 7 1.978 -15.175 9.188 1.00 0.00 H new ATOM 109 N VAL A 8 -2.050 -8.761 8.469 1.00 0.00 N ATOM 110 CA VAL A 8 -2.599 -7.430 8.717 1.00 0.00 C ATOM 111 C VAL A 8 -3.955 -7.526 9.425 1.00 0.00 C ATOM 112 O VAL A 8 -4.352 -6.624 10.151 1.00 0.00 O ATOM 113 CB VAL A 8 -2.722 -6.593 7.414 1.00 0.00 C ATOM 114 CG1 VAL A 8 -4.090 -6.735 6.772 1.00 0.00 C ATOM 115 CG2 VAL A 8 -2.419 -5.131 7.687 1.00 0.00 C ATOM 0 H VAL A 8 -1.957 -9.000 7.482 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.897 -6.911 9.369 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.987 -6.984 6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.130 -6.133 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.268 -7.781 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.856 -6.394 7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.510 -4.562 6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.125 -4.744 8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.404 -5.036 8.073 1.00 0.00 H new ATOM 125 N ALA A 9 -4.666 -8.626 9.207 1.00 0.00 N ATOM 126 CA ALA A 9 -5.948 -8.845 9.867 1.00 0.00 C ATOM 127 C ALA A 9 -5.750 -9.219 11.336 1.00 0.00 C ATOM 128 O ALA A 9 -6.714 -9.426 12.073 1.00 0.00 O ATOM 129 CB ALA A 9 -6.732 -9.927 9.143 1.00 0.00 C ATOM 0 H ALA A 9 -4.378 -9.378 8.581 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.516 -7.915 9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.687 -10.082 9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.909 -9.620 8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.163 -10.856 9.152 1.00 0.00 H new ATOM 135 N GLY A 10 -4.492 -9.294 11.756 1.00 0.00 N ATOM 136 CA GLY A 10 -4.183 -9.649 13.124 1.00 0.00 C ATOM 137 C GLY A 10 -3.555 -8.504 13.892 1.00 0.00 C ATOM 138 O GLY A 10 -3.016 -8.702 14.980 1.00 0.00 O ATOM 0 H GLY A 10 -3.678 -9.114 11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.096 -9.964 13.629 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.505 -10.502 13.130 1.00 0.00 H new ATOM 142 N ILE A 11 -3.597 -7.307 13.321 1.00 0.00 N ATOM 143 CA ILE A 11 -3.091 -6.127 14.009 1.00 0.00 C ATOM 144 C ILE A 11 -4.238 -5.332 14.613 1.00 0.00 C ATOM 145 O ILE A 11 -5.370 -5.369 14.121 1.00 0.00 O ATOM 146 CB ILE A 11 -2.266 -5.204 13.087 1.00 0.00 C ATOM 147 CG1 ILE A 11 -3.114 -4.735 11.902 1.00 0.00 C ATOM 148 CG2 ILE A 11 -1.010 -5.919 12.612 1.00 0.00 C ATOM 149 CD1 ILE A 11 -2.390 -3.818 10.942 1.00 0.00 C ATOM 0 H ILE A 11 -3.973 -7.128 12.390 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.428 -6.490 14.795 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.962 -4.323 13.653 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.467 -5.609 11.355 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.996 -4.220 12.283 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.438 -5.256 11.963 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.402 -6.197 13.473 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.289 -6.816 12.060 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.063 -3.534 10.133 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.061 -2.924 11.471 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.524 -4.335 10.529 1.00 0.00 H new ATOM 161 N ARG A 12 -3.947 -4.620 15.681 1.00 0.00 N ATOM 162 CA ARG A 12 -4.959 -3.854 16.381 1.00 0.00 C ATOM 163 C ARG A 12 -4.456 -2.448 16.663 1.00 0.00 C ATOM 164 O ARG A 12 -3.249 -2.196 16.628 1.00 0.00 O ATOM 165 CB ARG A 12 -5.339 -4.570 17.680 1.00 0.00 C ATOM 166 CG ARG A 12 -4.144 -4.903 18.559 1.00 0.00 C ATOM 167 CD ARG A 12 -4.500 -5.918 19.632 1.00 0.00 C ATOM 168 NE ARG A 12 -4.929 -7.195 19.061 1.00 0.00 N ATOM 169 CZ ARG A 12 -4.412 -8.377 19.405 1.00 0.00 C ATOM 170 NH1 ARG A 12 -3.430 -8.452 20.297 1.00 0.00 N ATOM 171 NH2 ARG A 12 -4.879 -9.490 18.858 1.00 0.00 N ATOM 0 H ARG A 12 -3.013 -4.555 16.086 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.847 -3.773 15.754 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.031 -3.943 18.243 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.869 -5.491 17.437 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.336 -5.295 17.941 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.773 -3.992 19.029 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.636 -6.081 20.277 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.295 -5.517 20.260 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.668 -7.181 18.358 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.064 -7.602 20.726 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.042 -9.360 20.553 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.634 -9.444 18.174 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.483 -10.393 19.121 1.00 0.00 H new ATOM 185 N THR A 13 -5.374 -1.526 16.894 1.00 0.00 N ATOM 186 CA THR A 13 -5.006 -0.181 17.297 1.00 0.00 C ATOM 187 C THR A 13 -4.548 -0.200 18.749 1.00 0.00 C ATOM 188 O THR A 13 -5.354 -0.325 19.673 1.00 0.00 O ATOM 189 CB THR A 13 -6.173 0.806 17.106 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.613 0.759 15.742 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.752 2.228 17.454 1.00 0.00 C ATOM 0 H THR A 13 -6.378 -1.684 16.809 1.00 0.00 H new ATOM 0 HA THR A 13 -4.189 0.162 16.662 1.00 0.00 H new ATOM 0 HB THR A 13 -6.984 0.516 17.774 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.357 1.385 15.617 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.596 2.903 17.310 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.429 2.268 18.494 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.929 2.532 16.807 1.00 0.00 H new ATOM 199 N VAL A 14 -3.246 -0.107 18.933 1.00 0.00 N ATOM 200 CA VAL A 14 -2.634 -0.309 20.232 1.00 0.00 C ATOM 201 C VAL A 14 -2.336 1.018 20.923 1.00 0.00 C ATOM 202 O VAL A 14 -2.555 2.087 20.356 1.00 0.00 O ATOM 203 CB VAL A 14 -1.337 -1.130 20.086 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.655 -2.548 19.645 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.392 -0.465 19.094 1.00 0.00 C ATOM 0 H VAL A 14 -2.584 0.110 18.188 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.342 -0.859 20.852 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.844 -1.171 21.057 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.729 -3.115 19.546 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.295 -3.025 20.387 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.169 -2.524 18.684 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.518 -1.059 19.004 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.877 -0.395 18.120 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.139 0.535 19.447 1.00 0.00 H new ATOM 215 N THR A 15 -1.856 0.940 22.155 1.00 0.00 N ATOM 216 CA THR A 15 -1.495 2.123 22.914 1.00 0.00 C ATOM 217 C THR A 15 0.021 2.212 23.057 1.00 0.00 C ATOM 218 O THR A 15 0.664 1.254 23.482 1.00 0.00 O ATOM 219 CB THR A 15 -2.139 2.099 24.315 1.00 0.00 C ATOM 220 OG1 THR A 15 -3.557 1.914 24.195 1.00 0.00 O ATOM 221 CG2 THR A 15 -1.854 3.389 25.072 1.00 0.00 C ATOM 0 H THR A 15 -1.707 0.062 22.652 1.00 0.00 H new ATOM 0 HA THR A 15 -1.864 2.994 22.373 1.00 0.00 H new ATOM 0 HB THR A 15 -1.706 1.270 24.874 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.961 1.898 25.087 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.320 3.344 26.056 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.777 3.514 25.186 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.260 4.234 24.516 1.00 0.00 H new ATOM 229 N PRO A 16 0.610 3.356 22.683 1.00 0.00 N ATOM 230 CA PRO A 16 2.054 3.579 22.790 1.00 0.00 C ATOM 231 C PRO A 16 2.535 3.549 24.237 1.00 0.00 C ATOM 232 O PRO A 16 2.037 4.298 25.082 1.00 0.00 O ATOM 233 CB PRO A 16 2.257 4.977 22.193 1.00 0.00 C ATOM 234 CG PRO A 16 1.016 5.255 21.415 1.00 0.00 C ATOM 235 CD PRO A 16 -0.084 4.523 22.120 1.00 0.00 C ATOM 0 HA PRO A 16 2.620 2.801 22.278 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.406 5.721 22.975 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.138 5.007 21.552 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.811 6.325 21.376 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.116 4.912 20.385 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.543 5.134 22.897 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.879 4.229 21.434 1.00 0.00 H new ATOM 243 N SER A 17 3.495 2.672 24.516 1.00 0.00 N ATOM 244 CA SER A 17 4.072 2.550 25.851 1.00 0.00 C ATOM 245 C SER A 17 4.789 3.840 26.255 1.00 0.00 C ATOM 246 O SER A 17 4.885 4.170 27.439 1.00 0.00 O ATOM 247 CB SER A 17 5.058 1.381 25.876 1.00 0.00 C ATOM 248 OG SER A 17 4.514 0.240 25.229 1.00 0.00 O ATOM 0 H SER A 17 3.892 2.031 23.829 1.00 0.00 H new ATOM 0 HA SER A 17 3.267 2.368 26.563 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.986 1.673 25.385 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.307 1.134 26.908 1.00 0.00 H new ATOM 0 HG SER A 17 4.468 -0.505 25.864 1.00 0.00 H new ATOM 254 N ALA A 18 5.289 4.557 25.256 1.00 0.00 N ATOM 255 CA ALA A 18 6.008 5.801 25.470 1.00 0.00 C ATOM 256 C ALA A 18 6.040 6.600 24.175 1.00 0.00 C ATOM 257 O ALA A 18 5.611 6.103 23.134 1.00 0.00 O ATOM 258 CB ALA A 18 7.421 5.519 25.961 1.00 0.00 C ATOM 0 H ALA A 18 5.206 4.290 24.275 1.00 0.00 H new ATOM 0 HA ALA A 18 5.494 6.385 26.234 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.947 6.461 26.117 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.377 4.969 26.901 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.953 4.925 25.218 1.00 0.00 H new ATOM 264 N LEU A 19 6.530 7.835 24.247 1.00 0.00 N ATOM 265 CA LEU A 19 6.648 8.683 23.063 1.00 0.00 C ATOM 266 C LEU A 19 7.667 8.093 22.097 1.00 0.00 C ATOM 267 O LEU A 19 7.376 7.860 20.927 1.00 0.00 O ATOM 268 CB LEU A 19 7.061 10.113 23.446 1.00 0.00 C ATOM 269 CG LEU A 19 5.977 10.978 24.107 1.00 0.00 C ATOM 270 CD1 LEU A 19 5.622 10.463 25.494 1.00 0.00 C ATOM 271 CD2 LEU A 19 6.434 12.426 24.183 1.00 0.00 C ATOM 0 H LEU A 19 6.851 8.271 25.111 1.00 0.00 H new ATOM 0 HA LEU A 19 5.672 8.726 22.579 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.913 10.054 24.124 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.405 10.623 22.546 1.00 0.00 H new ATOM 0 HG LEU A 19 5.080 10.919 23.490 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.852 11.098 25.932 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.249 9.441 25.418 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.510 10.480 26.126 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.657 13.029 24.653 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.348 12.488 24.773 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.625 12.801 23.177 1.00 0.00 H new ATOM 283 N GLY A 20 8.866 7.861 22.603 1.00 0.00 N ATOM 284 CA GLY A 20 9.885 7.204 21.821 1.00 0.00 C ATOM 285 C GLY A 20 10.101 5.778 22.280 1.00 0.00 C ATOM 286 O GLY A 20 9.158 5.102 22.692 1.00 0.00 O ATOM 0 H GLY A 20 9.152 8.118 23.548 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.599 7.210 20.769 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.820 7.759 21.900 1.00 0.00 H new ATOM 290 N CYS A 21 11.340 5.323 22.228 1.00 0.00 N ATOM 291 CA CYS A 21 11.666 3.974 22.656 1.00 0.00 C ATOM 292 C CYS A 21 11.647 3.880 24.176 1.00 0.00 C ATOM 293 O CYS A 21 12.369 4.609 24.859 1.00 0.00 O ATOM 294 CB CYS A 21 13.035 3.557 22.121 1.00 0.00 C ATOM 295 SG CYS A 21 13.543 1.888 22.604 1.00 0.00 S ATOM 0 H CYS A 21 12.136 5.867 21.894 1.00 0.00 H new ATOM 0 HA CYS A 21 10.914 3.296 22.253 1.00 0.00 H new ATOM 0 HB2 CYS A 21 13.022 3.620 21.033 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.782 4.268 22.473 1.00 0.00 H new ATOM 0 HG CYS A 21 14.442 1.451 21.773 1.00 0.00 H new ATOM 301 N GLU A 22 10.813 2.981 24.692 1.00 0.00 N ATOM 302 CA GLU A 22 10.694 2.757 26.131 1.00 0.00 C ATOM 303 C GLU A 22 12.056 2.449 26.744 1.00 0.00 C ATOM 304 O GLU A 22 12.419 3.001 27.783 1.00 0.00 O ATOM 305 CB GLU A 22 9.695 1.615 26.390 1.00 0.00 C ATOM 306 CG GLU A 22 9.554 1.192 27.851 1.00 0.00 C ATOM 307 CD GLU A 22 10.554 0.125 28.260 1.00 0.00 C ATOM 308 OE1 GLU A 22 10.682 -0.883 27.533 1.00 0.00 O ATOM 309 OE2 GLU A 22 11.201 0.276 29.317 1.00 0.00 O ATOM 0 H GLU A 22 10.203 2.389 24.128 1.00 0.00 H new ATOM 0 HA GLU A 22 10.321 3.664 26.607 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.716 1.920 26.021 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.000 0.747 25.805 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.682 2.066 28.490 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.544 0.819 28.019 1.00 0.00 H new ATOM 316 N GLU A 23 12.817 1.590 26.075 1.00 0.00 N ATOM 317 CA GLU A 23 14.137 1.208 26.553 1.00 0.00 C ATOM 318 C GLU A 23 15.058 2.423 26.631 1.00 0.00 C ATOM 319 O GLU A 23 15.757 2.629 27.620 1.00 0.00 O ATOM 320 CB GLU A 23 14.744 0.142 25.646 1.00 0.00 C ATOM 321 CG GLU A 23 16.109 -0.340 26.105 1.00 0.00 C ATOM 322 CD GLU A 23 16.649 -1.445 25.231 1.00 0.00 C ATOM 323 OE1 GLU A 23 16.759 -1.237 24.007 1.00 0.00 O ATOM 324 OE2 GLU A 23 16.971 -2.524 25.757 1.00 0.00 O ATOM 0 H GLU A 23 12.541 1.146 25.199 1.00 0.00 H new ATOM 0 HA GLU A 23 14.029 0.794 27.556 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.065 -0.709 25.595 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.830 0.542 24.636 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.807 0.497 26.102 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.040 -0.694 27.134 1.00 0.00 H new ATOM 331 N CYS A 24 15.040 3.243 25.597 1.00 0.00 N ATOM 332 CA CYS A 24 15.889 4.419 25.561 1.00 0.00 C ATOM 333 C CYS A 24 15.515 5.401 26.671 1.00 0.00 C ATOM 334 O CYS A 24 16.385 5.986 27.316 1.00 0.00 O ATOM 335 CB CYS A 24 15.795 5.097 24.194 1.00 0.00 C ATOM 336 SG CYS A 24 16.436 4.101 22.827 1.00 0.00 S ATOM 0 H CYS A 24 14.450 3.118 24.775 1.00 0.00 H new ATOM 0 HA CYS A 24 16.918 4.101 25.726 1.00 0.00 H new ATOM 0 HB2 CYS A 24 14.752 5.341 23.993 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.342 6.039 24.230 1.00 0.00 H new ATOM 0 HG CYS A 24 17.179 4.843 22.061 1.00 0.00 H new ATOM 342 N LEU A 25 14.223 5.544 26.922 1.00 0.00 N ATOM 343 CA LEU A 25 13.732 6.525 27.883 1.00 0.00 C ATOM 344 C LEU A 25 14.033 6.133 29.329 1.00 0.00 C ATOM 345 O LEU A 25 13.997 6.983 30.219 1.00 0.00 O ATOM 346 CB LEU A 25 12.230 6.734 27.703 1.00 0.00 C ATOM 347 CG LEU A 25 11.837 7.444 26.410 1.00 0.00 C ATOM 348 CD1 LEU A 25 10.326 7.500 26.268 1.00 0.00 C ATOM 349 CD2 LEU A 25 12.424 8.846 26.380 1.00 0.00 C ATOM 0 H LEU A 25 13.492 4.992 26.473 1.00 0.00 H new ATOM 0 HA LEU A 25 14.261 7.457 27.684 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.735 5.763 27.734 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.853 7.311 28.548 1.00 0.00 H new ATOM 0 HG LEU A 25 12.239 6.878 25.570 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.066 8.010 25.340 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.924 6.487 26.250 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.901 8.044 27.112 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.136 9.341 25.453 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.047 9.417 27.228 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.511 8.787 26.437 1.00 0.00 H new ATOM 361 N LYS A 26 14.345 4.865 29.567 1.00 0.00 N ATOM 362 CA LYS A 26 14.577 4.400 30.931 1.00 0.00 C ATOM 363 C LYS A 26 16.025 4.638 31.349 1.00 0.00 C ATOM 364 O LYS A 26 16.361 4.562 32.531 1.00 0.00 O ATOM 365 CB LYS A 26 14.228 2.914 31.058 1.00 0.00 C ATOM 366 CG LYS A 26 15.249 1.983 30.424 1.00 0.00 C ATOM 367 CD LYS A 26 14.603 0.697 29.944 1.00 0.00 C ATOM 368 CE LYS A 26 14.018 -0.110 31.091 1.00 0.00 C ATOM 369 NZ LYS A 26 13.073 -1.151 30.608 1.00 0.00 N ATOM 0 H LYS A 26 14.442 4.149 28.847 1.00 0.00 H new ATOM 0 HA LYS A 26 13.929 4.971 31.596 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.130 2.663 32.114 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.256 2.739 30.597 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.730 2.486 29.585 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.031 1.751 31.147 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.816 0.932 29.228 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.343 0.094 29.417 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.825 -0.583 31.651 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.501 0.559 31.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.557 -1.553 31.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.397 -0.724 29.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.603 -1.905 30.126 1.00 0.00 H new ATOM 383 N ILE A 27 16.880 4.932 30.377 1.00 0.00 N ATOM 384 CA ILE A 27 18.297 5.126 30.654 1.00 0.00 C ATOM 385 C ILE A 27 18.805 6.461 30.120 1.00 0.00 C ATOM 386 O ILE A 27 19.919 6.876 30.436 1.00 0.00 O ATOM 387 CB ILE A 27 19.153 3.985 30.061 1.00 0.00 C ATOM 388 CG1 ILE A 27 18.848 3.800 28.571 1.00 0.00 C ATOM 389 CG2 ILE A 27 18.919 2.690 30.829 1.00 0.00 C ATOM 390 CD1 ILE A 27 19.679 2.724 27.905 1.00 0.00 C ATOM 0 H ILE A 27 16.619 5.041 29.397 1.00 0.00 H new ATOM 0 HA ILE A 27 18.397 5.122 31.739 1.00 0.00 H new ATOM 0 HB ILE A 27 20.205 4.254 30.159 1.00 0.00 H new ATOM 0 HG12 ILE A 27 17.792 3.555 28.454 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.015 4.746 28.056 1.00 0.00 H new ATOM 0 HG21 ILE A 27 19.530 1.896 30.398 1.00 0.00 H new ATOM 0 HG22 ILE A 27 19.193 2.832 31.874 1.00 0.00 H new ATOM 0 HG23 ILE A 27 17.867 2.414 30.764 1.00 0.00 H new ATOM 0 HD11 ILE A 27 19.406 2.653 26.852 1.00 0.00 H new ATOM 0 HD12 ILE A 27 20.736 2.976 27.989 1.00 0.00 H new ATOM 0 HD13 ILE A 27 19.494 1.767 28.393 1.00 0.00 H new ATOM 402 N GLY A 28 17.989 7.142 29.328 1.00 0.00 N ATOM 403 CA GLY A 28 18.424 8.388 28.725 1.00 0.00 C ATOM 404 C GLY A 28 19.231 8.142 27.468 1.00 0.00 C ATOM 405 O GLY A 28 20.320 8.687 27.294 1.00 0.00 O ATOM 0 H GLY A 28 17.038 6.857 29.092 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.555 9.001 28.487 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.024 8.950 29.440 1.00 0.00 H new ATOM 409 N SER A 29 18.691 7.302 26.604 1.00 0.00 N ATOM 410 CA SER A 29 19.348 6.925 25.365 1.00 0.00 C ATOM 411 C SER A 29 18.614 7.555 24.181 1.00 0.00 C ATOM 412 O SER A 29 17.395 7.736 24.232 1.00 0.00 O ATOM 413 CB SER A 29 19.356 5.393 25.255 1.00 0.00 C ATOM 414 OG SER A 29 20.082 4.936 24.127 1.00 0.00 O ATOM 0 H SER A 29 17.782 6.861 26.742 1.00 0.00 H new ATOM 0 HA SER A 29 20.376 7.286 25.357 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.791 4.969 26.160 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.330 5.030 25.194 1.00 0.00 H new ATOM 0 HG SER A 29 19.862 3.997 23.955 1.00 0.00 H new ATOM 420 N PRO A 30 19.343 7.938 23.123 1.00 0.00 N ATOM 421 CA PRO A 30 18.744 8.502 21.915 1.00 0.00 C ATOM 422 C PRO A 30 18.175 7.428 20.987 1.00 0.00 C ATOM 423 O PRO A 30 18.175 6.235 21.315 1.00 0.00 O ATOM 424 CB PRO A 30 19.919 9.217 21.252 1.00 0.00 C ATOM 425 CG PRO A 30 21.116 8.432 21.660 1.00 0.00 C ATOM 426 CD PRO A 30 20.814 7.877 23.029 1.00 0.00 C ATOM 0 HA PRO A 30 17.898 9.152 22.140 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.809 9.238 20.168 1.00 0.00 H new ATOM 0 HB3 PRO A 30 19.992 10.252 21.585 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.314 7.629 20.950 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.005 9.063 21.684 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.179 6.855 23.135 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.289 8.467 23.813 1.00 0.00 H new ATOM 434 N TRP A 31 17.688 7.859 19.832 1.00 0.00 N ATOM 435 CA TRP A 31 17.130 6.952 18.842 1.00 0.00 C ATOM 436 C TRP A 31 17.133 7.599 17.466 1.00 0.00 C ATOM 437 O TRP A 31 17.269 8.817 17.344 1.00 0.00 O ATOM 438 CB TRP A 31 15.701 6.538 19.222 1.00 0.00 C ATOM 439 CG TRP A 31 14.780 7.694 19.499 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.286 8.597 18.597 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.231 8.057 20.768 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.477 9.503 19.235 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.423 9.192 20.567 1.00 0.00 C ATOM 444 CE3 TRP A 31 14.345 7.533 22.058 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.736 9.810 21.606 1.00 0.00 C ATOM 446 CZ3 TRP A 31 13.662 8.148 23.088 1.00 0.00 C ATOM 447 CH2 TRP A 31 12.866 9.276 22.857 1.00 0.00 C ATOM 0 H TRP A 31 17.669 8.841 19.557 1.00 0.00 H new ATOM 0 HA TRP A 31 17.754 6.059 18.815 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.281 5.938 18.414 1.00 0.00 H new ATOM 0 HB3 TRP A 31 15.742 5.900 20.105 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.501 8.596 17.539 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.994 10.283 18.789 1.00 0.00 H new ATOM 0 HE3 TRP A 31 14.956 6.663 22.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 12.122 10.681 21.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 13.743 7.752 24.089 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.344 9.734 23.684 1.00 0.00 H new ATOM 458 N VAL A 32 16.993 6.776 16.439 1.00 0.00 N ATOM 459 CA VAL A 32 16.881 7.266 15.073 1.00 0.00 C ATOM 460 C VAL A 32 15.425 7.223 14.624 1.00 0.00 C ATOM 461 O VAL A 32 14.808 8.255 14.373 1.00 0.00 O ATOM 462 CB VAL A 32 17.734 6.433 14.093 1.00 0.00 C ATOM 463 CG1 VAL A 32 17.664 7.018 12.691 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.177 6.344 14.566 1.00 0.00 C ATOM 0 H VAL A 32 16.954 5.760 16.526 1.00 0.00 H new ATOM 0 HA VAL A 32 17.250 8.292 15.063 1.00 0.00 H new ATOM 0 HB VAL A 32 17.326 5.423 14.065 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.272 6.417 12.015 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.630 7.016 12.347 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.040 8.041 12.704 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.756 5.752 13.858 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.600 7.346 14.633 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.210 5.870 15.547 1.00 0.00 H new ATOM 474 N HIS A 33 14.884 6.016 14.535 1.00 0.00 N ATOM 475 CA HIS A 33 13.494 5.823 14.149 1.00 0.00 C ATOM 476 C HIS A 33 12.761 5.037 15.226 1.00 0.00 C ATOM 477 O HIS A 33 13.386 4.321 16.015 1.00 0.00 O ATOM 478 CB HIS A 33 13.392 5.089 12.806 1.00 0.00 C ATOM 479 CG HIS A 33 13.894 5.875 11.634 1.00 0.00 C ATOM 480 ND1 HIS A 33 14.812 5.377 10.733 1.00 0.00 N ATOM 481 CD2 HIS A 33 13.589 7.122 11.205 1.00 0.00 C ATOM 482 CE1 HIS A 33 15.049 6.282 9.804 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.319 7.350 10.066 1.00 0.00 N ATOM 0 H HIS A 33 15.390 5.151 14.726 1.00 0.00 H new ATOM 0 HA HIS A 33 13.031 6.804 14.038 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.954 4.157 12.871 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.350 4.821 12.630 1.00 0.00 H new ATOM 0 HD1 HIS A 33 15.241 4.453 10.778 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.899 7.809 11.672 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.726 6.169 8.970 1.00 0.00 H new ATOM 492 N LEU A 34 11.444 5.161 15.252 1.00 0.00 N ATOM 493 CA LEU A 34 10.629 4.493 16.256 1.00 0.00 C ATOM 494 C LEU A 34 9.639 3.546 15.598 1.00 0.00 C ATOM 495 O LEU A 34 8.953 3.909 14.641 1.00 0.00 O ATOM 496 CB LEU A 34 9.863 5.501 17.127 1.00 0.00 C ATOM 497 CG LEU A 34 10.708 6.336 18.097 1.00 0.00 C ATOM 498 CD1 LEU A 34 11.704 5.458 18.838 1.00 0.00 C ATOM 499 CD2 LEU A 34 11.419 7.465 17.371 1.00 0.00 C ATOM 0 H LEU A 34 10.913 5.721 14.585 1.00 0.00 H new ATOM 0 HA LEU A 34 11.307 3.928 16.895 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.323 6.182 16.469 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.116 4.957 17.705 1.00 0.00 H new ATOM 0 HG LEU A 34 10.035 6.781 18.830 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.292 6.071 19.520 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.167 4.697 19.405 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.367 4.975 18.121 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.010 8.040 18.083 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.075 7.049 16.606 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.682 8.117 16.901 1.00 0.00 H new ATOM 511 N ARG A 35 9.574 2.331 16.114 1.00 0.00 N ATOM 512 CA ARG A 35 8.644 1.336 15.616 1.00 0.00 C ATOM 513 C ARG A 35 7.663 0.939 16.710 1.00 0.00 C ATOM 514 O ARG A 35 8.057 0.393 17.743 1.00 0.00 O ATOM 515 CB ARG A 35 9.392 0.093 15.124 1.00 0.00 C ATOM 516 CG ARG A 35 10.310 0.347 13.940 1.00 0.00 C ATOM 517 CD ARG A 35 10.983 -0.937 13.484 1.00 0.00 C ATOM 518 NE ARG A 35 11.796 -0.744 12.286 1.00 0.00 N ATOM 519 CZ ARG A 35 12.387 -1.734 11.616 1.00 0.00 C ATOM 520 NH1 ARG A 35 12.259 -2.993 12.016 1.00 0.00 N ATOM 521 NH2 ARG A 35 13.114 -1.468 10.543 1.00 0.00 N ATOM 0 H ARG A 35 10.160 2.009 16.884 1.00 0.00 H new ATOM 0 HA ARG A 35 8.097 1.772 14.780 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.982 -0.312 15.946 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.664 -0.670 14.848 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.737 0.773 13.116 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.068 1.081 14.214 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.611 -1.320 14.288 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.222 -1.692 13.286 1.00 0.00 H new ATOM 0 HE ARG A 35 11.919 0.208 11.940 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.704 -3.211 12.844 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.715 -3.742 11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.223 -0.504 10.227 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.565 -2.227 10.032 1.00 0.00 H new ATOM 535 N ILE A 36 6.389 1.213 16.487 1.00 0.00 N ATOM 536 CA ILE A 36 5.359 0.797 17.420 1.00 0.00 C ATOM 537 C ILE A 36 4.751 -0.513 16.949 1.00 0.00 C ATOM 538 O ILE A 36 4.228 -0.632 15.843 1.00 0.00 O ATOM 539 CB ILE A 36 4.263 1.873 17.619 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.221 1.379 18.628 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.605 2.247 16.298 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.203 2.428 19.015 1.00 0.00 C ATOM 0 H ILE A 36 6.045 1.720 15.671 1.00 0.00 H new ATOM 0 HA ILE A 36 5.829 0.656 18.394 1.00 0.00 H new ATOM 0 HB ILE A 36 4.735 2.773 18.013 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.701 0.519 18.207 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.733 1.034 19.526 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.841 3.004 16.474 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.358 2.642 15.616 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.145 1.363 15.857 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.499 2.005 19.732 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.712 3.280 19.466 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.663 2.756 18.127 1.00 0.00 H new ATOM 554 N CYS A 37 4.888 -1.510 17.787 1.00 0.00 N ATOM 555 CA CYS A 37 4.424 -2.844 17.482 1.00 0.00 C ATOM 556 C CYS A 37 2.900 -2.904 17.535 1.00 0.00 C ATOM 557 O CYS A 37 2.310 -2.837 18.614 1.00 0.00 O ATOM 558 CB CYS A 37 5.051 -3.793 18.488 1.00 0.00 C ATOM 559 SG CYS A 37 4.650 -5.542 18.269 1.00 0.00 S ATOM 0 H CYS A 37 5.326 -1.421 18.704 1.00 0.00 H new ATOM 0 HA CYS A 37 4.718 -3.132 16.473 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.134 -3.679 18.442 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.741 -3.490 19.488 1.00 0.00 H new ATOM 564 N ARG A 38 2.275 -3.054 16.365 1.00 0.00 N ATOM 565 CA ARG A 38 0.813 -2.985 16.234 1.00 0.00 C ATOM 566 C ARG A 38 0.103 -4.172 16.877 1.00 0.00 C ATOM 567 O ARG A 38 -1.110 -4.324 16.737 1.00 0.00 O ATOM 568 CB ARG A 38 0.410 -2.913 14.759 1.00 0.00 C ATOM 569 CG ARG A 38 0.735 -1.592 14.085 1.00 0.00 C ATOM 570 CD ARG A 38 0.019 -0.426 14.752 1.00 0.00 C ATOM 571 NE ARG A 38 -1.425 -0.644 14.858 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.339 0.115 14.252 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.975 1.067 13.409 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.630 -0.100 14.467 1.00 0.00 N ATOM 0 H ARG A 38 2.762 -3.226 15.485 1.00 0.00 H new ATOM 0 HA ARG A 38 0.504 -2.082 16.760 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.911 -3.716 14.218 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.662 -3.094 14.678 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.811 -1.423 14.116 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.450 -1.640 13.034 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.434 -0.270 15.748 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.205 0.485 14.183 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.752 -1.423 15.430 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.986 1.227 13.216 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.683 1.641 12.951 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.925 -0.847 15.096 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.328 0.481 14.003 1.00 0.00 H new ATOM 588 N THR A 39 0.845 -5.014 17.568 1.00 0.00 N ATOM 589 CA THR A 39 0.252 -6.164 18.218 1.00 0.00 C ATOM 590 C THR A 39 0.065 -5.916 19.710 1.00 0.00 C ATOM 591 O THR A 39 -1.021 -6.111 20.243 1.00 0.00 O ATOM 592 CB THR A 39 1.118 -7.420 18.016 1.00 0.00 C ATOM 593 OG1 THR A 39 1.666 -7.424 16.691 1.00 0.00 O ATOM 594 CG2 THR A 39 0.299 -8.683 18.235 1.00 0.00 C ATOM 0 H THR A 39 1.853 -4.924 17.693 1.00 0.00 H new ATOM 0 HA THR A 39 -0.724 -6.326 17.760 1.00 0.00 H new ATOM 0 HB THR A 39 1.927 -7.401 18.746 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.218 -8.224 16.568 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.932 -9.558 18.087 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.096 -8.689 19.251 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.527 -8.709 17.524 1.00 0.00 H new ATOM 602 N CYS A 40 1.121 -5.458 20.372 1.00 0.00 N ATOM 603 CA CYS A 40 1.103 -5.332 21.826 1.00 0.00 C ATOM 604 C CYS A 40 1.289 -3.878 22.265 1.00 0.00 C ATOM 605 O CYS A 40 1.254 -3.572 23.453 1.00 0.00 O ATOM 606 CB CYS A 40 2.187 -6.223 22.438 1.00 0.00 C ATOM 607 SG CYS A 40 3.882 -5.717 22.022 1.00 0.00 S ATOM 0 H CYS A 40 1.994 -5.170 19.930 1.00 0.00 H new ATOM 0 HA CYS A 40 0.127 -5.659 22.185 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.074 -6.222 23.522 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.032 -7.248 22.102 1.00 0.00 H new ATOM 612 N GLY A 41 1.501 -2.985 21.300 1.00 0.00 N ATOM 613 CA GLY A 41 1.565 -1.563 21.602 1.00 0.00 C ATOM 614 C GLY A 41 2.905 -1.096 22.135 1.00 0.00 C ATOM 615 O GLY A 41 3.044 0.055 22.544 1.00 0.00 O ATOM 0 H GLY A 41 1.629 -3.220 20.316 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.332 -1.001 20.698 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.793 -1.324 22.334 1.00 0.00 H new ATOM 619 N HIS A 42 3.909 -1.957 22.113 1.00 0.00 N ATOM 620 CA HIS A 42 5.191 -1.590 22.691 1.00 0.00 C ATOM 621 C HIS A 42 6.048 -0.897 21.645 1.00 0.00 C ATOM 622 O HIS A 42 6.307 -1.453 20.573 1.00 0.00 O ATOM 623 CB HIS A 42 5.916 -2.812 23.254 1.00 0.00 C ATOM 624 CG HIS A 42 6.879 -2.474 24.353 1.00 0.00 C ATOM 625 ND1 HIS A 42 8.232 -2.299 24.153 1.00 0.00 N ATOM 626 CD2 HIS A 42 6.668 -2.271 25.676 1.00 0.00 C ATOM 627 CE1 HIS A 42 8.809 -2.004 25.305 1.00 0.00 C ATOM 628 NE2 HIS A 42 7.882 -1.981 26.243 1.00 0.00 N ATOM 0 H HIS A 42 3.865 -2.894 21.711 1.00 0.00 H new ATOM 0 HA HIS A 42 5.011 -0.903 23.518 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.179 -3.522 23.631 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.455 -3.310 22.448 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.719 -2.327 26.189 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.862 -1.814 25.453 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.042 -1.780 27.230 1.00 0.00 H new ATOM 637 N VAL A 43 6.460 0.323 21.953 1.00 0.00 N ATOM 638 CA VAL A 43 7.275 1.110 21.041 1.00 0.00 C ATOM 639 C VAL A 43 8.754 0.821 21.269 1.00 0.00 C ATOM 640 O VAL A 43 9.232 0.833 22.406 1.00 0.00 O ATOM 641 CB VAL A 43 7.022 2.625 21.212 1.00 0.00 C ATOM 642 CG1 VAL A 43 7.749 3.421 20.138 1.00 0.00 C ATOM 643 CG2 VAL A 43 5.533 2.929 21.184 1.00 0.00 C ATOM 0 H VAL A 43 6.242 0.791 22.832 1.00 0.00 H new ATOM 0 HA VAL A 43 6.994 0.825 20.027 1.00 0.00 H new ATOM 0 HB VAL A 43 7.415 2.924 22.183 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.555 4.484 20.280 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.821 3.234 20.210 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.392 3.115 19.154 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.378 4.001 21.306 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.114 2.608 20.230 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.038 2.396 21.996 1.00 0.00 H new ATOM 653 N GLY A 44 9.465 0.545 20.189 1.00 0.00 N ATOM 654 CA GLY A 44 10.882 0.280 20.280 1.00 0.00 C ATOM 655 C GLY A 44 11.650 1.013 19.206 1.00 0.00 C ATOM 656 O GLY A 44 11.086 1.367 18.171 1.00 0.00 O ATOM 0 H GLY A 44 9.082 0.500 19.245 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.248 0.582 21.261 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.060 -0.792 20.189 1.00 0.00 H new ATOM 660 N CYS A 45 12.928 1.251 19.446 1.00 0.00 N ATOM 661 CA CYS A 45 13.758 1.953 18.483 1.00 0.00 C ATOM 662 C CYS A 45 14.081 1.061 17.291 1.00 0.00 C ATOM 663 O CYS A 45 14.275 -0.149 17.437 1.00 0.00 O ATOM 664 CB CYS A 45 15.039 2.447 19.150 1.00 0.00 C ATOM 665 SG CYS A 45 15.853 1.209 20.181 1.00 0.00 S ATOM 0 H CYS A 45 13.413 0.969 20.298 1.00 0.00 H new ATOM 0 HA CYS A 45 13.203 2.816 18.115 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.735 2.777 18.378 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.805 3.318 19.762 1.00 0.00 H new ATOM 0 HG CYS A 45 16.260 1.763 21.284 1.00 0.00 H new ATOM 671 N CYS A 46 14.124 1.677 16.120 1.00 0.00 N ATOM 672 CA CYS A 46 14.377 0.980 14.867 1.00 0.00 C ATOM 673 C CYS A 46 15.801 0.421 14.826 1.00 0.00 C ATOM 674 O CYS A 46 16.629 0.738 15.684 1.00 0.00 O ATOM 675 CB CYS A 46 14.149 1.954 13.711 1.00 0.00 C ATOM 676 SG CYS A 46 14.176 1.213 12.068 1.00 0.00 S ATOM 0 H CYS A 46 13.983 2.681 16.011 1.00 0.00 H new ATOM 0 HA CYS A 46 13.693 0.136 14.780 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.187 2.445 13.855 1.00 0.00 H new ATOM 0 HB3 CYS A 46 14.913 2.730 13.755 1.00 0.00 H new ATOM 0 HG CYS A 46 14.921 1.931 11.280 1.00 0.00 H new ATOM 682 N ASP A 47 16.090 -0.386 13.809 1.00 0.00 N ATOM 683 CA ASP A 47 17.394 -1.030 13.687 1.00 0.00 C ATOM 684 C ASP A 47 18.446 -0.041 13.187 1.00 0.00 C ATOM 685 O ASP A 47 19.610 -0.395 13.006 1.00 0.00 O ATOM 686 CB ASP A 47 17.318 -2.249 12.758 1.00 0.00 C ATOM 687 CG ASP A 47 17.079 -1.884 11.306 1.00 0.00 C ATOM 688 OD1 ASP A 47 15.958 -1.451 10.974 1.00 0.00 O ATOM 689 OD2 ASP A 47 18.006 -2.055 10.489 1.00 0.00 O ATOM 0 H ASP A 47 15.438 -0.610 13.057 1.00 0.00 H new ATOM 0 HA ASP A 47 17.691 -1.373 14.678 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.247 -2.814 12.835 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.517 -2.906 13.097 1.00 0.00 H new ATOM 694 N ASP A 48 18.021 1.199 12.958 1.00 0.00 N ATOM 695 CA ASP A 48 18.944 2.289 12.650 1.00 0.00 C ATOM 696 C ASP A 48 19.729 2.668 13.899 1.00 0.00 C ATOM 697 O ASP A 48 20.804 3.262 13.825 1.00 0.00 O ATOM 698 CB ASP A 48 18.191 3.530 12.160 1.00 0.00 C ATOM 699 CG ASP A 48 17.379 3.299 10.906 1.00 0.00 C ATOM 700 OD1 ASP A 48 17.946 3.391 9.799 1.00 0.00 O ATOM 701 OD2 ASP A 48 16.157 3.062 11.026 1.00 0.00 O ATOM 0 H ASP A 48 17.039 1.475 12.980 1.00 0.00 H new ATOM 0 HA ASP A 48 19.616 1.943 11.864 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.527 3.876 12.952 1.00 0.00 H new ATOM 0 HB3 ASP A 48 18.909 4.329 11.974 1.00 0.00 H new ATOM 706 N SER A 49 19.162 2.335 15.049 1.00 0.00 N ATOM 707 CA SER A 49 19.758 2.667 16.330 1.00 0.00 C ATOM 708 C SER A 49 20.496 1.456 16.892 1.00 0.00 C ATOM 709 O SER A 49 20.046 0.329 16.714 1.00 0.00 O ATOM 710 CB SER A 49 18.660 3.122 17.290 1.00 0.00 C ATOM 711 OG SER A 49 17.836 4.098 16.671 1.00 0.00 O ATOM 0 H SER A 49 18.279 1.829 15.118 1.00 0.00 H new ATOM 0 HA SER A 49 20.478 3.475 16.203 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.056 2.267 17.594 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.107 3.535 18.195 1.00 0.00 H new ATOM 0 HG SER A 49 16.895 3.847 16.778 1.00 0.00 H new ATOM 717 N PRO A 50 21.630 1.678 17.584 1.00 0.00 N ATOM 718 CA PRO A 50 22.476 0.601 18.128 1.00 0.00 C ATOM 719 C PRO A 50 21.703 -0.405 18.979 1.00 0.00 C ATOM 720 O PRO A 50 22.070 -1.577 19.053 1.00 0.00 O ATOM 721 CB PRO A 50 23.505 1.341 18.994 1.00 0.00 C ATOM 722 CG PRO A 50 22.996 2.737 19.122 1.00 0.00 C ATOM 723 CD PRO A 50 22.190 2.998 17.886 1.00 0.00 C ATOM 0 HA PRO A 50 22.914 0.009 17.325 1.00 0.00 H new ATOM 0 HB2 PRO A 50 23.605 0.870 19.972 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.491 1.325 18.530 1.00 0.00 H new ATOM 0 HG2 PRO A 50 22.384 2.849 20.017 1.00 0.00 H new ATOM 0 HG3 PRO A 50 23.819 3.446 19.208 1.00 0.00 H new ATOM 0 HD2 PRO A 50 21.410 3.739 18.060 1.00 0.00 H new ATOM 0 HD3 PRO A 50 22.809 3.372 17.070 1.00 0.00 H new ATOM 731 N HIS A 51 20.637 0.059 19.622 1.00 0.00 N ATOM 732 CA HIS A 51 19.798 -0.813 20.436 1.00 0.00 C ATOM 733 C HIS A 51 19.151 -1.903 19.581 1.00 0.00 C ATOM 734 O HIS A 51 19.203 -3.079 19.928 1.00 0.00 O ATOM 735 CB HIS A 51 18.705 -0.011 21.145 1.00 0.00 C ATOM 736 CG HIS A 51 19.155 0.744 22.360 1.00 0.00 C ATOM 737 ND1 HIS A 51 18.622 0.517 23.605 1.00 0.00 N ATOM 738 CD2 HIS A 51 20.040 1.757 22.512 1.00 0.00 C ATOM 739 CE1 HIS A 51 19.149 1.355 24.474 1.00 0.00 C ATOM 740 NE2 HIS A 51 20.017 2.124 23.838 1.00 0.00 N ATOM 0 H HIS A 51 20.334 1.033 19.595 1.00 0.00 H new ATOM 0 HA HIS A 51 20.440 -1.280 21.183 1.00 0.00 H new ATOM 0 HB2 HIS A 51 18.277 0.697 20.435 1.00 0.00 H new ATOM 0 HB3 HIS A 51 17.906 -0.693 21.436 1.00 0.00 H new ATOM 0 HD1 HIS A 51 17.923 -0.193 23.824 1.00 0.00 H new ATOM 0 HD2 HIS A 51 20.651 2.196 21.737 1.00 0.00 H new ATOM 0 HE1 HIS A 51 18.913 1.406 25.527 1.00 0.00 H new ATOM 749 N LYS A 52 18.547 -1.493 18.461 1.00 0.00 N ATOM 750 CA LYS A 52 17.839 -2.409 17.558 1.00 0.00 C ATOM 751 C LYS A 52 16.826 -3.265 18.316 1.00 0.00 C ATOM 752 O LYS A 52 16.637 -4.442 18.014 1.00 0.00 O ATOM 753 CB LYS A 52 18.825 -3.311 16.805 1.00 0.00 C ATOM 754 CG LYS A 52 19.811 -2.546 15.938 1.00 0.00 C ATOM 755 CD LYS A 52 20.580 -3.463 15.004 1.00 0.00 C ATOM 756 CE LYS A 52 21.409 -4.486 15.762 1.00 0.00 C ATOM 757 NZ LYS A 52 22.186 -5.350 14.838 1.00 0.00 N ATOM 0 H LYS A 52 18.534 -0.520 18.155 1.00 0.00 H new ATOM 0 HA LYS A 52 17.300 -1.797 16.834 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.379 -3.911 17.527 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.264 -4.004 16.178 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.275 -1.799 15.352 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.512 -2.008 16.576 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.881 -3.979 14.346 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.234 -2.866 14.368 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.090 -3.973 16.441 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.754 -5.104 16.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.740 -6.037 15.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.534 -5.858 14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.829 -4.762 14.271 1.00 0.00 H new ATOM 771 N HIS A 53 16.143 -2.658 19.277 1.00 0.00 N ATOM 772 CA HIS A 53 15.210 -3.399 20.117 1.00 0.00 C ATOM 773 C HIS A 53 13.988 -3.828 19.310 1.00 0.00 C ATOM 774 O HIS A 53 13.262 -4.738 19.705 1.00 0.00 O ATOM 775 CB HIS A 53 14.783 -2.559 21.324 1.00 0.00 C ATOM 776 CG HIS A 53 14.352 -3.381 22.504 1.00 0.00 C ATOM 777 ND1 HIS A 53 15.097 -3.479 23.655 1.00 0.00 N ATOM 778 CD2 HIS A 53 13.251 -4.145 22.709 1.00 0.00 C ATOM 779 CE1 HIS A 53 14.482 -4.267 24.513 1.00 0.00 C ATOM 780 NE2 HIS A 53 13.358 -4.684 23.966 1.00 0.00 N ATOM 0 H HIS A 53 16.215 -1.664 19.494 1.00 0.00 H new ATOM 0 HA HIS A 53 15.716 -4.293 20.482 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.612 -1.918 21.622 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.963 -1.904 21.029 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.440 -4.300 22.012 1.00 0.00 H new ATOM 0 HE1 HIS A 53 14.839 -4.527 25.499 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.679 -5.306 24.405 1.00 0.00 H new ATOM 789 N ALA A 54 13.772 -3.174 18.175 1.00 0.00 N ATOM 790 CA ALA A 54 12.652 -3.498 17.302 1.00 0.00 C ATOM 791 C ALA A 54 12.775 -4.910 16.736 1.00 0.00 C ATOM 792 O ALA A 54 11.784 -5.637 16.644 1.00 0.00 O ATOM 793 CB ALA A 54 12.556 -2.488 16.174 1.00 0.00 C ATOM 0 H ALA A 54 14.361 -2.413 17.837 1.00 0.00 H new ATOM 0 HA ALA A 54 11.741 -3.455 17.899 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.715 -2.742 15.529 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.407 -1.491 16.590 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.477 -2.504 15.592 1.00 0.00 H new ATOM 799 N THR A 55 13.988 -5.293 16.356 1.00 0.00 N ATOM 800 CA THR A 55 14.228 -6.620 15.811 1.00 0.00 C ATOM 801 C THR A 55 14.319 -7.648 16.933 1.00 0.00 C ATOM 802 O THR A 55 13.791 -8.757 16.821 1.00 0.00 O ATOM 803 CB THR A 55 15.512 -6.652 14.959 1.00 0.00 C ATOM 804 OG1 THR A 55 16.606 -6.100 15.700 1.00 0.00 O ATOM 805 CG2 THR A 55 15.327 -5.870 13.667 1.00 0.00 C ATOM 0 H THR A 55 14.818 -4.703 16.416 1.00 0.00 H new ATOM 0 HA THR A 55 13.386 -6.871 15.166 1.00 0.00 H new ATOM 0 HB THR A 55 15.727 -7.691 14.709 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.418 -6.125 15.152 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.247 -5.908 13.084 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.513 -6.309 13.090 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.088 -4.832 13.901 1.00 0.00 H new ATOM 813 N ARG A 56 14.974 -7.258 18.028 1.00 0.00 N ATOM 814 CA ARG A 56 15.075 -8.107 19.212 1.00 0.00 C ATOM 815 C ARG A 56 13.687 -8.493 19.716 1.00 0.00 C ATOM 816 O ARG A 56 13.467 -9.617 20.172 1.00 0.00 O ATOM 817 CB ARG A 56 15.831 -7.391 20.334 1.00 0.00 C ATOM 818 CG ARG A 56 17.263 -7.016 19.993 1.00 0.00 C ATOM 819 CD ARG A 56 17.942 -6.357 21.183 1.00 0.00 C ATOM 820 NE ARG A 56 19.307 -5.927 20.888 1.00 0.00 N ATOM 821 CZ ARG A 56 20.167 -5.502 21.816 1.00 0.00 C ATOM 822 NH1 ARG A 56 19.806 -5.465 23.095 1.00 0.00 N ATOM 823 NH2 ARG A 56 21.386 -5.107 21.466 1.00 0.00 N ATOM 0 H ARG A 56 15.443 -6.357 18.117 1.00 0.00 H new ATOM 0 HA ARG A 56 15.622 -9.006 18.927 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.286 -6.486 20.601 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.837 -8.031 21.216 1.00 0.00 H new ATOM 0 HG2 ARG A 56 17.818 -7.907 19.699 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.274 -6.338 19.140 1.00 0.00 H new ATOM 0 HD2 ARG A 56 17.355 -5.495 21.500 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.959 -7.056 22.019 1.00 0.00 H new ATOM 0 HE ARG A 56 19.620 -5.953 19.918 1.00 0.00 H new ATOM 0 HH11 ARG A 56 18.870 -5.762 23.369 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.466 -5.140 23.802 1.00 0.00 H new ATOM 0 HH21 ARG A 56 21.667 -5.128 20.486 1.00 0.00 H new ATOM 0 HH22 ARG A 56 22.041 -4.783 22.178 1.00 0.00 H new ATOM 837 N HIS A 57 12.756 -7.549 19.621 1.00 0.00 N ATOM 838 CA HIS A 57 11.391 -7.754 20.085 1.00 0.00 C ATOM 839 C HIS A 57 10.711 -8.890 19.329 1.00 0.00 C ATOM 840 O HIS A 57 10.042 -9.735 19.931 1.00 0.00 O ATOM 841 CB HIS A 57 10.576 -6.467 19.927 1.00 0.00 C ATOM 842 CG HIS A 57 9.172 -6.596 20.421 1.00 0.00 C ATOM 843 ND1 HIS A 57 8.830 -6.571 21.750 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.014 -6.789 19.738 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.510 -6.751 21.838 1.00 0.00 C ATOM 846 NE2 HIS A 57 6.964 -6.887 20.645 1.00 0.00 N ATOM 0 H HIS A 57 12.926 -6.626 19.222 1.00 0.00 H new ATOM 0 HA HIS A 57 11.438 -8.025 21.140 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.072 -5.661 20.468 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.560 -6.182 18.875 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.471 -6.438 22.532 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.923 -6.856 18.664 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.960 -6.781 22.767 1.00 0.00 H new ATOM 854 N PHE A 58 10.877 -8.902 18.014 1.00 0.00 N ATOM 855 CA PHE A 58 10.267 -9.929 17.181 1.00 0.00 C ATOM 856 C PHE A 58 10.838 -11.299 17.520 1.00 0.00 C ATOM 857 O PHE A 58 10.112 -12.290 17.557 1.00 0.00 O ATOM 858 CB PHE A 58 10.477 -9.613 15.697 1.00 0.00 C ATOM 859 CG PHE A 58 10.030 -10.715 14.777 1.00 0.00 C ATOM 860 CD1 PHE A 58 8.726 -11.180 14.804 1.00 0.00 C ATOM 861 CD2 PHE A 58 10.918 -11.287 13.888 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.319 -12.196 13.961 1.00 0.00 C ATOM 863 CE2 PHE A 58 10.519 -12.302 13.040 1.00 0.00 C ATOM 864 CZ PHE A 58 9.217 -12.757 13.078 1.00 0.00 C ATOM 0 H PHE A 58 11.428 -8.213 17.501 1.00 0.00 H new ATOM 0 HA PHE A 58 9.196 -9.942 17.381 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.934 -8.701 15.448 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.534 -9.412 15.523 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.018 -10.743 15.493 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.939 -10.936 13.855 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.299 -12.550 13.994 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.225 -12.738 12.349 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.902 -13.551 12.417 1.00 0.00 H new ATOM 874 N HIS A 59 12.135 -11.339 17.796 1.00 0.00 N ATOM 875 CA HIS A 59 12.809 -12.583 18.145 1.00 0.00 C ATOM 876 C HIS A 59 12.232 -13.157 19.442 1.00 0.00 C ATOM 877 O HIS A 59 12.176 -14.372 19.624 1.00 0.00 O ATOM 878 CB HIS A 59 14.315 -12.333 18.299 1.00 0.00 C ATOM 879 CG HIS A 59 15.150 -13.581 18.324 1.00 0.00 C ATOM 880 ND1 HIS A 59 16.061 -13.890 17.340 1.00 0.00 N ATOM 881 CD2 HIS A 59 15.219 -14.590 19.224 1.00 0.00 C ATOM 882 CE1 HIS A 59 16.650 -15.034 17.631 1.00 0.00 C ATOM 883 NE2 HIS A 59 16.157 -15.481 18.770 1.00 0.00 N ATOM 0 H HIS A 59 12.744 -10.521 17.785 1.00 0.00 H new ATOM 0 HA HIS A 59 12.649 -13.307 17.346 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.652 -11.701 17.478 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.487 -11.777 19.221 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.641 -14.677 20.132 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.408 -15.522 17.037 1.00 0.00 H new ATOM 0 HE2 HIS A 59 16.429 -16.347 19.236 1.00 0.00 H new ATOM 892 N ALA A 60 11.793 -12.274 20.331 1.00 0.00 N ATOM 893 CA ALA A 60 11.295 -12.689 21.635 1.00 0.00 C ATOM 894 C ALA A 60 9.801 -13.009 21.608 1.00 0.00 C ATOM 895 O ALA A 60 9.393 -14.126 21.925 1.00 0.00 O ATOM 896 CB ALA A 60 11.583 -11.613 22.670 1.00 0.00 C ATOM 0 H ALA A 60 11.772 -11.267 20.172 1.00 0.00 H new ATOM 0 HA ALA A 60 11.818 -13.606 21.907 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.207 -11.933 23.642 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.659 -11.448 22.734 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.090 -10.686 22.378 1.00 0.00 H new ATOM 902 N THR A 61 8.990 -12.032 21.217 1.00 0.00 N ATOM 903 CA THR A 61 7.537 -12.171 21.283 1.00 0.00 C ATOM 904 C THR A 61 6.969 -12.883 20.060 1.00 0.00 C ATOM 905 O THR A 61 5.947 -13.565 20.145 1.00 0.00 O ATOM 906 CB THR A 61 6.845 -10.800 21.418 1.00 0.00 C ATOM 907 OG1 THR A 61 7.330 -9.905 20.405 1.00 0.00 O ATOM 908 CG2 THR A 61 7.079 -10.195 22.795 1.00 0.00 C ATOM 0 H THR A 61 9.312 -11.136 20.851 1.00 0.00 H new ATOM 0 HA THR A 61 7.335 -12.774 22.168 1.00 0.00 H new ATOM 0 HB THR A 61 5.773 -10.950 21.291 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.037 -8.992 20.607 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.578 -9.229 22.858 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.678 -10.862 23.558 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.149 -10.060 22.956 1.00 0.00 H new ATOM 916 N GLY A 62 7.633 -12.726 18.924 1.00 0.00 N ATOM 917 CA GLY A 62 7.112 -13.273 17.690 1.00 0.00 C ATOM 918 C GLY A 62 6.027 -12.397 17.100 1.00 0.00 C ATOM 919 O GLY A 62 5.009 -12.893 16.622 1.00 0.00 O ATOM 0 H GLY A 62 8.520 -12.231 18.836 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.923 -13.382 16.970 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.713 -14.271 17.874 1.00 0.00 H new ATOM 923 N HIS A 63 6.242 -11.089 17.144 1.00 0.00 N ATOM 924 CA HIS A 63 5.292 -10.134 16.585 1.00 0.00 C ATOM 925 C HIS A 63 5.865 -9.555 15.297 1.00 0.00 C ATOM 926 O HIS A 63 6.717 -8.667 15.332 1.00 0.00 O ATOM 927 CB HIS A 63 4.976 -9.016 17.590 1.00 0.00 C ATOM 928 CG HIS A 63 4.217 -9.471 18.808 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.046 -8.650 19.898 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.594 -10.649 19.051 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.333 -9.332 20.767 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.034 -10.556 20.303 1.00 0.00 N ATOM 0 H HIS A 63 7.069 -10.663 17.562 1.00 0.00 H new ATOM 0 HA HIS A 63 4.357 -10.649 16.366 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.911 -8.557 17.910 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.398 -8.242 17.085 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.546 -11.500 18.387 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.027 -8.955 21.732 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.496 -11.276 20.785 1.00 0.00 H new ATOM 940 N PRO A 64 5.412 -10.068 14.143 1.00 0.00 N ATOM 941 CA PRO A 64 6.050 -9.808 12.850 1.00 0.00 C ATOM 942 C PRO A 64 5.657 -8.484 12.197 1.00 0.00 C ATOM 943 O PRO A 64 6.108 -8.187 11.091 1.00 0.00 O ATOM 944 CB PRO A 64 5.558 -10.978 12.001 1.00 0.00 C ATOM 945 CG PRO A 64 4.203 -11.290 12.537 1.00 0.00 C ATOM 946 CD PRO A 64 4.239 -10.957 14.008 1.00 0.00 C ATOM 0 HA PRO A 64 7.132 -9.726 12.958 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.514 -10.711 10.945 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.225 -11.836 12.085 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.439 -10.705 12.025 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.957 -12.341 12.383 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.323 -10.461 14.328 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.345 -11.854 14.618 1.00 0.00 H new ATOM 954 N ILE A 65 4.828 -7.689 12.856 1.00 0.00 N ATOM 955 CA ILE A 65 4.381 -6.433 12.265 1.00 0.00 C ATOM 956 C ILE A 65 4.650 -5.247 13.181 1.00 0.00 C ATOM 957 O ILE A 65 4.266 -5.239 14.355 1.00 0.00 O ATOM 958 CB ILE A 65 2.881 -6.466 11.890 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.621 -7.555 10.844 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.427 -5.104 11.369 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.193 -7.599 10.346 1.00 0.00 C ATOM 0 H ILE A 65 4.455 -7.884 13.785 1.00 0.00 H new ATOM 0 HA ILE A 65 4.963 -6.309 11.352 1.00 0.00 H new ATOM 0 HB ILE A 65 2.305 -6.698 12.786 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.287 -7.396 9.995 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.876 -8.524 11.272 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.369 -5.148 11.110 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.581 -4.349 12.140 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.006 -4.842 10.484 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.089 -8.395 9.609 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.521 -7.790 11.183 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.938 -6.644 9.887 1.00 0.00 H new ATOM 973 N ILE A 66 5.322 -4.252 12.624 1.00 0.00 N ATOM 974 CA ILE A 66 5.593 -3.010 13.323 1.00 0.00 C ATOM 975 C ILE A 66 5.119 -1.832 12.486 1.00 0.00 C ATOM 976 O ILE A 66 5.008 -1.935 11.265 1.00 0.00 O ATOM 977 CB ILE A 66 7.098 -2.857 13.645 1.00 0.00 C ATOM 978 CG1 ILE A 66 7.952 -3.005 12.380 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.522 -3.872 14.694 1.00 0.00 C ATOM 980 CD1 ILE A 66 8.208 -1.698 11.658 1.00 0.00 C ATOM 0 H ILE A 66 5.694 -4.285 11.675 1.00 0.00 H new ATOM 0 HA ILE A 66 5.049 -3.030 14.267 1.00 0.00 H new ATOM 0 HB ILE A 66 7.257 -1.855 14.043 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.908 -3.454 12.649 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.457 -3.695 11.697 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.584 -3.751 14.909 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.947 -3.714 15.606 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.340 -4.880 14.320 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.818 -1.884 10.774 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.258 -1.257 11.357 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.732 -1.012 12.323 1.00 0.00 H new ATOM 992 N GLU A 67 4.833 -0.725 13.142 1.00 0.00 N ATOM 993 CA GLU A 67 4.380 0.471 12.458 1.00 0.00 C ATOM 994 C GLU A 67 5.380 1.599 12.663 1.00 0.00 C ATOM 995 O GLU A 67 5.959 1.734 13.745 1.00 0.00 O ATOM 996 CB GLU A 67 3.000 0.866 12.985 1.00 0.00 C ATOM 997 CG GLU A 67 2.422 2.127 12.369 1.00 0.00 C ATOM 998 CD GLU A 67 0.996 2.366 12.812 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.788 2.885 13.928 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.074 2.006 12.061 1.00 0.00 O ATOM 0 H GLU A 67 4.907 -0.628 14.155 1.00 0.00 H new ATOM 0 HA GLU A 67 4.304 0.274 11.389 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.309 0.042 12.808 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.064 1.002 14.065 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.037 2.983 12.648 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.457 2.050 11.282 1.00 0.00 H new ATOM 1007 N GLY A 68 5.604 2.380 11.616 1.00 0.00 N ATOM 1008 CA GLY A 68 6.476 3.531 11.722 1.00 0.00 C ATOM 1009 C GLY A 68 5.859 4.604 12.590 1.00 0.00 C ATOM 1010 O GLY A 68 4.918 5.277 12.174 1.00 0.00 O ATOM 0 H GLY A 68 5.196 2.236 10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.435 3.227 12.141 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.675 3.933 10.729 1.00 0.00 H new ATOM 1014 N TYR A 69 6.385 4.762 13.795 1.00 0.00 N ATOM 1015 CA TYR A 69 5.780 5.650 14.773 1.00 0.00 C ATOM 1016 C TYR A 69 6.396 7.045 14.715 1.00 0.00 C ATOM 1017 O TYR A 69 5.706 8.047 14.920 1.00 0.00 O ATOM 1018 CB TYR A 69 5.924 5.057 16.176 1.00 0.00 C ATOM 1019 CG TYR A 69 5.046 5.723 17.207 1.00 0.00 C ATOM 1020 CD1 TYR A 69 3.693 5.918 16.963 1.00 0.00 C ATOM 1021 CD2 TYR A 69 5.565 6.157 18.420 1.00 0.00 C ATOM 1022 CE1 TYR A 69 2.882 6.526 17.896 1.00 0.00 C ATOM 1023 CE2 TYR A 69 4.758 6.766 19.360 1.00 0.00 C ATOM 1024 CZ TYR A 69 3.419 6.948 19.092 1.00 0.00 C ATOM 1025 OH TYR A 69 2.610 7.554 20.022 1.00 0.00 O ATOM 0 H TYR A 69 7.228 4.287 14.118 1.00 0.00 H new ATOM 0 HA TYR A 69 4.721 5.748 14.534 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.684 3.994 16.139 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.965 5.138 16.490 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.269 5.587 16.026 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.615 6.016 18.631 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.832 6.671 17.691 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.174 7.098 20.300 1.00 0.00 H new ATOM 0 HH TYR A 69 3.079 7.604 20.881 1.00 0.00 H new ATOM 1035 N ASP A 70 7.691 7.111 14.424 1.00 0.00 N ATOM 1036 CA ASP A 70 8.380 8.395 14.341 1.00 0.00 C ATOM 1037 C ASP A 70 8.002 9.166 13.062 1.00 0.00 C ATOM 1038 O ASP A 70 7.909 10.394 13.107 1.00 0.00 O ATOM 1039 CB ASP A 70 9.909 8.234 14.470 1.00 0.00 C ATOM 1040 CG ASP A 70 10.581 7.693 13.227 1.00 0.00 C ATOM 1041 OD1 ASP A 70 10.634 6.455 13.079 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.064 8.498 12.405 1.00 0.00 O ATOM 0 H ASP A 70 8.281 6.299 14.243 1.00 0.00 H new ATOM 0 HA ASP A 70 8.043 8.990 15.190 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.346 9.202 14.714 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.124 7.568 15.305 1.00 0.00 H new ATOM 1047 N PRO A 71 7.773 8.500 11.899 1.00 0.00 N ATOM 1048 CA PRO A 71 7.267 9.170 10.717 1.00 0.00 C ATOM 1049 C PRO A 71 5.744 9.099 10.647 1.00 0.00 C ATOM 1050 O PRO A 71 5.167 8.013 10.553 1.00 0.00 O ATOM 1051 CB PRO A 71 7.902 8.385 9.561 1.00 0.00 C ATOM 1052 CG PRO A 71 8.412 7.101 10.152 1.00 0.00 C ATOM 1053 CD PRO A 71 8.007 7.082 11.603 1.00 0.00 C ATOM 0 HA PRO A 71 7.512 10.232 10.700 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.171 8.188 8.777 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.713 8.952 9.105 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.994 6.243 9.625 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.496 7.037 10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.111 6.483 11.764 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.789 6.662 12.235 1.00 0.00 H new ATOM 1061 N PRO A 72 5.068 10.258 10.685 1.00 0.00 N ATOM 1062 CA PRO A 72 3.599 10.339 10.684 1.00 0.00 C ATOM 1063 C PRO A 72 2.978 9.955 9.336 1.00 0.00 C ATOM 1064 O PRO A 72 1.864 10.373 9.007 1.00 0.00 O ATOM 1065 CB PRO A 72 3.315 11.815 11.001 1.00 0.00 C ATOM 1066 CG PRO A 72 4.619 12.393 11.440 1.00 0.00 C ATOM 1067 CD PRO A 72 5.678 11.590 10.749 1.00 0.00 C ATOM 0 HA PRO A 72 3.164 9.641 11.400 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.931 12.337 10.124 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.562 11.909 11.783 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.690 13.447 11.170 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.728 12.333 12.523 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.903 11.982 9.757 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.613 11.583 11.309 1.00 0.00 H new ATOM 1075 N GLU A 73 3.699 9.147 8.572 1.00 0.00 N ATOM 1076 CA GLU A 73 3.231 8.678 7.280 1.00 0.00 C ATOM 1077 C GLU A 73 2.216 7.557 7.453 1.00 0.00 C ATOM 1078 O GLU A 73 1.257 7.449 6.688 1.00 0.00 O ATOM 1079 CB GLU A 73 4.411 8.180 6.445 1.00 0.00 C ATOM 1080 CG GLU A 73 5.414 9.266 6.103 1.00 0.00 C ATOM 1081 CD GLU A 73 4.812 10.352 5.237 1.00 0.00 C ATOM 1082 OE1 GLU A 73 4.612 10.105 4.028 1.00 0.00 O ATOM 1083 OE2 GLU A 73 4.538 11.452 5.754 1.00 0.00 O ATOM 0 H GLU A 73 4.622 8.800 8.831 1.00 0.00 H new ATOM 0 HA GLU A 73 2.750 9.510 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.920 7.385 6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.033 7.742 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.795 9.708 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.265 8.822 5.586 1.00 0.00 H new ATOM 1090 N GLY A 74 2.436 6.725 8.463 1.00 0.00 N ATOM 1091 CA GLY A 74 1.549 5.607 8.711 1.00 0.00 C ATOM 1092 C GLY A 74 1.817 4.443 7.779 1.00 0.00 C ATOM 1093 O GLY A 74 1.171 4.305 6.737 1.00 0.00 O ATOM 0 H GLY A 74 3.215 6.806 9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.664 5.277 9.743 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.516 5.933 8.594 1.00 0.00 H new ATOM 1097 N TRP A 75 2.778 3.610 8.141 1.00 0.00 N ATOM 1098 CA TRP A 75 3.102 2.431 7.353 1.00 0.00 C ATOM 1099 C TRP A 75 3.482 1.273 8.260 1.00 0.00 C ATOM 1100 O TRP A 75 3.953 1.479 9.381 1.00 0.00 O ATOM 1101 CB TRP A 75 4.228 2.724 6.350 1.00 0.00 C ATOM 1102 CG TRP A 75 5.452 3.356 6.949 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.748 4.689 6.976 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.550 2.689 7.592 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.958 4.892 7.592 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.469 3.682 7.981 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.845 1.351 7.878 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.659 3.380 8.639 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 8.026 1.053 8.532 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.920 2.063 8.906 1.00 0.00 C ATOM 0 H TRP A 75 3.349 3.728 8.978 1.00 0.00 H new ATOM 0 HA TRP A 75 2.214 2.152 6.786 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.517 1.791 5.866 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.841 3.381 5.571 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.121 5.470 6.572 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.404 5.798 7.737 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.162 0.565 7.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.351 4.157 8.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.263 0.024 8.758 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.834 1.798 9.416 1.00 0.00 H new ATOM 1121 N GLY A 76 3.276 0.064 7.768 1.00 0.00 N ATOM 1122 CA GLY A 76 3.571 -1.115 8.547 1.00 0.00 C ATOM 1123 C GLY A 76 4.560 -2.023 7.853 1.00 0.00 C ATOM 1124 O GLY A 76 4.448 -2.280 6.652 1.00 0.00 O ATOM 0 H GLY A 76 2.907 -0.122 6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.971 -0.818 9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.648 -1.663 8.738 1.00 0.00 H new ATOM 1128 N TRP A 77 5.528 -2.509 8.609 1.00 0.00 N ATOM 1129 CA TRP A 77 6.539 -3.406 8.081 1.00 0.00 C ATOM 1130 C TRP A 77 6.346 -4.799 8.657 1.00 0.00 C ATOM 1131 O TRP A 77 6.240 -4.970 9.874 1.00 0.00 O ATOM 1132 CB TRP A 77 7.937 -2.877 8.412 1.00 0.00 C ATOM 1133 CG TRP A 77 9.053 -3.803 8.026 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.735 -4.653 8.851 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.622 -3.968 6.722 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.690 -5.335 8.139 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.642 -4.932 6.831 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.368 -3.395 5.475 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.406 -5.334 5.739 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.126 -3.795 4.393 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.135 -4.756 4.530 1.00 0.00 C ATOM 0 H TRP A 77 5.635 -2.294 9.600 1.00 0.00 H new ATOM 0 HA TRP A 77 6.438 -3.459 6.997 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.081 -1.922 7.906 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.995 -2.682 9.483 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.550 -4.771 9.908 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.331 -6.029 8.522 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.593 -2.652 5.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.184 -6.075 5.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 9.937 -3.359 3.423 1.00 0.00 H new ATOM 0 HH2 TRP A 77 11.711 -5.046 3.664 1.00 0.00 H new ATOM 1152 N CYS A 78 6.286 -5.788 7.784 1.00 0.00 N ATOM 1153 CA CYS A 78 6.114 -7.163 8.215 1.00 0.00 C ATOM 1154 C CYS A 78 7.431 -7.912 8.047 1.00 0.00 C ATOM 1155 O CYS A 78 7.861 -8.160 6.926 1.00 0.00 O ATOM 1156 CB CYS A 78 5.002 -7.831 7.405 1.00 0.00 C ATOM 1157 SG CYS A 78 4.224 -9.251 8.235 1.00 0.00 S ATOM 0 H CYS A 78 6.354 -5.665 6.774 1.00 0.00 H new ATOM 0 HA CYS A 78 5.827 -7.185 9.266 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.235 -7.090 7.182 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.412 -8.162 6.451 1.00 0.00 H new ATOM 1162 N TYR A 79 8.059 -8.262 9.168 1.00 0.00 N ATOM 1163 CA TYR A 79 9.411 -8.834 9.175 1.00 0.00 C ATOM 1164 C TYR A 79 9.557 -10.050 8.260 1.00 0.00 C ATOM 1165 O TYR A 79 10.363 -10.037 7.330 1.00 0.00 O ATOM 1166 CB TYR A 79 9.822 -9.217 10.599 1.00 0.00 C ATOM 1167 CG TYR A 79 10.123 -8.033 11.490 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.256 -7.258 11.279 1.00 0.00 C ATOM 1169 CD2 TYR A 79 9.284 -7.695 12.544 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.544 -6.180 12.091 1.00 0.00 C ATOM 1171 CE2 TYR A 79 9.565 -6.616 13.361 1.00 0.00 C ATOM 1172 CZ TYR A 79 10.696 -5.861 13.129 1.00 0.00 C ATOM 1173 OH TYR A 79 10.983 -4.786 13.942 1.00 0.00 O ATOM 0 H TYR A 79 7.649 -8.159 10.096 1.00 0.00 H new ATOM 0 HA TYR A 79 10.071 -8.057 8.788 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.024 -9.806 11.051 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.703 -9.857 10.552 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.923 -7.503 10.466 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.398 -8.285 12.728 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.430 -5.589 11.914 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.903 -6.365 14.176 1.00 0.00 H new ATOM 0 HH TYR A 79 11.104 -5.096 14.864 1.00 0.00 H new ATOM 1183 N VAL A 80 8.784 -11.097 8.521 1.00 0.00 N ATOM 1184 CA VAL A 80 8.916 -12.352 7.779 1.00 0.00 C ATOM 1185 C VAL A 80 8.506 -12.201 6.314 1.00 0.00 C ATOM 1186 O VAL A 80 8.901 -12.998 5.463 1.00 0.00 O ATOM 1187 CB VAL A 80 8.104 -13.494 8.431 1.00 0.00 C ATOM 1188 CG1 VAL A 80 8.718 -13.886 9.766 1.00 0.00 C ATOM 1189 CG2 VAL A 80 6.648 -13.095 8.617 1.00 0.00 C ATOM 0 H VAL A 80 8.059 -11.106 9.239 1.00 0.00 H new ATOM 0 HA VAL A 80 9.974 -12.612 7.814 1.00 0.00 H new ATOM 0 HB VAL A 80 8.136 -14.354 7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.135 -14.691 10.212 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.743 -14.224 9.610 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.717 -13.024 10.434 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.101 -13.918 9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.591 -12.216 9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.207 -12.864 7.647 1.00 0.00 H new ATOM 1199 N ASP A 81 7.721 -11.176 6.027 1.00 0.00 N ATOM 1200 CA ASP A 81 7.253 -10.924 4.669 1.00 0.00 C ATOM 1201 C ASP A 81 8.257 -10.064 3.920 1.00 0.00 C ATOM 1202 O ASP A 81 8.500 -10.270 2.732 1.00 0.00 O ATOM 1203 CB ASP A 81 5.905 -10.197 4.678 1.00 0.00 C ATOM 1204 CG ASP A 81 4.815 -10.932 5.431 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.072 -11.416 6.546 1.00 0.00 O ATOM 1206 OD2 ASP A 81 3.674 -10.974 4.944 1.00 0.00 O ATOM 0 H ASP A 81 7.392 -10.501 6.717 1.00 0.00 H new ATOM 0 HA ASP A 81 7.140 -11.889 4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.038 -9.211 5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.581 -10.041 3.649 1.00 0.00 H new ATOM 1211 N GLU A 82 8.823 -9.095 4.642 1.00 0.00 N ATOM 1212 CA GLU A 82 9.733 -8.100 4.077 1.00 0.00 C ATOM 1213 C GLU A 82 9.006 -7.203 3.086 1.00 0.00 C ATOM 1214 O GLU A 82 9.605 -6.662 2.156 1.00 0.00 O ATOM 1215 CB GLU A 82 10.956 -8.755 3.435 1.00 0.00 C ATOM 1216 CG GLU A 82 11.954 -9.274 4.454 1.00 0.00 C ATOM 1217 CD GLU A 82 13.193 -9.853 3.813 1.00 0.00 C ATOM 1218 OE1 GLU A 82 14.068 -9.071 3.390 1.00 0.00 O ATOM 1219 OE2 GLU A 82 13.296 -11.093 3.730 1.00 0.00 O ATOM 0 H GLU A 82 8.661 -8.979 5.642 1.00 0.00 H new ATOM 0 HA GLU A 82 10.092 -7.478 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.629 -9.580 2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.450 -8.032 2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.241 -8.462 5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.477 -10.038 5.068 1.00 0.00 H new ATOM 1226 N VAL A 83 7.712 -7.032 3.312 1.00 0.00 N ATOM 1227 CA VAL A 83 6.914 -6.116 2.519 1.00 0.00 C ATOM 1228 C VAL A 83 6.399 -4.984 3.398 1.00 0.00 C ATOM 1229 O VAL A 83 5.979 -5.209 4.541 1.00 0.00 O ATOM 1230 CB VAL A 83 5.722 -6.820 1.819 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.216 -7.891 0.860 1.00 0.00 C ATOM 1232 CG2 VAL A 83 4.755 -7.419 2.832 1.00 0.00 C ATOM 0 H VAL A 83 7.193 -7.519 4.042 1.00 0.00 H new ATOM 0 HA VAL A 83 7.561 -5.718 1.737 1.00 0.00 H new ATOM 0 HB VAL A 83 5.183 -6.063 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.363 -8.371 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.850 -7.434 0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.790 -8.636 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.932 -7.904 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.278 -8.154 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.362 -6.628 3.471 1.00 0.00 H new ATOM 1242 N MET A 84 6.476 -3.770 2.885 1.00 0.00 N ATOM 1243 CA MET A 84 5.966 -2.611 3.593 1.00 0.00 C ATOM 1244 C MET A 84 4.606 -2.219 3.035 1.00 0.00 C ATOM 1245 O MET A 84 4.456 -2.002 1.833 1.00 0.00 O ATOM 1246 CB MET A 84 6.945 -1.439 3.478 1.00 0.00 C ATOM 1247 CG MET A 84 6.517 -0.205 4.259 1.00 0.00 C ATOM 1248 SD MET A 84 7.696 1.154 4.115 1.00 0.00 S ATOM 1249 CE MET A 84 9.166 0.402 4.812 1.00 0.00 C ATOM 0 H MET A 84 6.889 -3.561 1.976 1.00 0.00 H new ATOM 0 HA MET A 84 5.856 -2.865 4.647 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.925 -1.760 3.831 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.057 -1.172 2.427 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.542 0.126 3.902 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.399 -0.468 5.310 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.862 1.182 5.122 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.891 -0.203 5.676 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.641 -0.231 4.063 1.00 0.00 H new ATOM 1259 N PHE A 85 3.617 -2.148 3.905 1.00 0.00 N ATOM 1260 CA PHE A 85 2.276 -1.761 3.504 1.00 0.00 C ATOM 1261 C PHE A 85 1.877 -0.479 4.219 1.00 0.00 C ATOM 1262 O PHE A 85 2.583 -0.023 5.118 1.00 0.00 O ATOM 1263 CB PHE A 85 1.275 -2.890 3.783 1.00 0.00 C ATOM 1264 CG PHE A 85 1.337 -3.450 5.178 1.00 0.00 C ATOM 1265 CD1 PHE A 85 0.577 -2.900 6.196 1.00 0.00 C ATOM 1266 CD2 PHE A 85 2.147 -4.539 5.465 1.00 0.00 C ATOM 1267 CE1 PHE A 85 0.625 -3.421 7.474 1.00 0.00 C ATOM 1268 CE2 PHE A 85 2.200 -5.063 6.741 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.438 -4.504 7.747 1.00 0.00 C ATOM 0 H PHE A 85 3.717 -2.354 4.899 1.00 0.00 H new ATOM 0 HA PHE A 85 2.266 -1.576 2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.267 -2.518 3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.451 -3.698 3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.061 -2.054 5.988 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.743 -4.982 4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.027 -2.982 8.259 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.837 -5.909 6.952 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.477 -4.913 8.746 1.00 0.00 H new ATOM 1279 N ASP A 86 0.757 0.102 3.825 1.00 0.00 N ATOM 1280 CA ASP A 86 0.339 1.377 4.387 1.00 0.00 C ATOM 1281 C ASP A 86 -0.627 1.153 5.540 1.00 0.00 C ATOM 1282 O ASP A 86 -1.398 0.193 5.543 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.309 2.268 3.316 1.00 0.00 C ATOM 1284 CG ASP A 86 -1.815 2.089 3.215 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -2.266 1.078 2.630 1.00 0.00 O ATOM 1286 OD2 ASP A 86 -2.549 2.961 3.727 1.00 0.00 O ATOM 0 H ASP A 86 0.124 -0.284 3.124 1.00 0.00 H new ATOM 0 HA ASP A 86 1.226 1.888 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.088 3.312 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.142 2.047 2.348 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.563 2.029 6.527 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.462 1.970 7.671 1.00 0.00 C ATOM 1293 C LEU A 87 -1.935 3.368 8.033 1.00 0.00 C ATOM 1294 O LEU A 87 -2.426 3.594 9.127 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.764 1.335 8.879 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.531 -0.173 8.789 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.256 -0.661 9.995 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.858 -0.913 8.690 1.00 0.00 C ATOM 0 H LEU A 87 0.108 2.797 6.561 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.320 1.355 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.199 1.826 9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.359 1.540 9.769 1.00 0.00 H new ATOM 0 HG LEU A 87 0.048 -0.378 7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.413 -1.737 9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.221 -0.155 10.029 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.301 -0.442 10.906 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.673 -1.985 8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.460 -0.700 9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.392 -0.584 7.799 1.00 0.00 H new ATOM 1310 N SER A 88 -1.815 4.289 7.086 1.00 0.00 N ATOM 1311 CA SER A 88 -2.081 5.704 7.332 1.00 0.00 C ATOM 1312 C SER A 88 -3.479 5.938 7.914 1.00 0.00 C ATOM 1313 O SER A 88 -3.653 6.768 8.808 1.00 0.00 O ATOM 1314 CB SER A 88 -1.908 6.491 6.029 1.00 0.00 C ATOM 1315 OG SER A 88 -2.110 7.882 6.224 1.00 0.00 O ATOM 0 H SER A 88 -1.532 4.080 6.129 1.00 0.00 H new ATOM 0 HA SER A 88 -1.364 6.055 8.074 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.907 6.321 5.632 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.614 6.122 5.285 1.00 0.00 H new ATOM 0 HG SER A 88 -1.990 8.352 5.373 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.465 5.190 7.434 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.850 5.393 7.857 1.00 0.00 C ATOM 1323 C ASP A 89 -6.099 4.804 9.239 1.00 0.00 C ATOM 1324 O ASP A 89 -7.040 5.191 9.928 1.00 0.00 O ATOM 1325 CB ASP A 89 -6.829 4.742 6.875 1.00 0.00 C ATOM 1326 CG ASP A 89 -6.658 5.212 5.447 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -7.141 6.312 5.112 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -6.047 4.472 4.649 1.00 0.00 O ATOM 0 H ASP A 89 -4.335 4.440 6.755 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.014 6.470 7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.700 3.660 6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.848 4.952 7.198 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.251 3.871 9.645 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.497 3.097 10.856 1.00 0.00 C ATOM 1335 C ARG A 90 -4.306 3.179 11.798 1.00 0.00 C ATOM 1336 O ARG A 90 -4.196 2.391 12.738 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.751 1.633 10.486 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.621 1.467 9.252 1.00 0.00 C ATOM 1339 CD ARG A 90 -6.695 0.019 8.804 1.00 0.00 C ATOM 1340 NE ARG A 90 -7.105 -0.085 7.406 1.00 0.00 N ATOM 1341 CZ ARG A 90 -6.907 -1.159 6.647 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -6.428 -2.280 7.170 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -7.216 -1.121 5.360 1.00 0.00 N ATOM 0 H ARG A 90 -4.388 3.631 9.156 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.371 3.510 11.359 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.795 1.137 10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.227 1.130 11.328 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.625 1.834 9.464 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.223 2.078 8.442 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.722 -0.455 8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.401 -0.523 9.433 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.573 0.717 6.985 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.207 -2.325 8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.281 -3.097 6.577 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.605 -0.270 4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.065 -1.943 4.775 1.00 0.00 H new ATOM 1357 N MET A 91 -3.426 4.139 11.544 1.00 0.00 N ATOM 1358 CA MET A 91 -2.163 4.243 12.269 1.00 0.00 C ATOM 1359 C MET A 91 -2.382 4.673 13.709 1.00 0.00 C ATOM 1360 O MET A 91 -3.445 5.193 14.063 1.00 0.00 O ATOM 1361 CB MET A 91 -1.212 5.229 11.581 1.00 0.00 C ATOM 1362 CG MET A 91 -1.692 6.672 11.606 1.00 0.00 C ATOM 1363 SD MET A 91 -0.468 7.823 10.949 1.00 0.00 S ATOM 1364 CE MET A 91 0.885 7.570 12.099 1.00 0.00 C ATOM 0 H MET A 91 -3.564 4.861 10.837 1.00 0.00 H new ATOM 0 HA MET A 91 -1.712 3.251 12.266 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.236 5.173 12.063 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.073 4.921 10.545 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.611 6.755 11.026 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.935 6.952 12.631 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.349 8.529 12.332 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.504 7.119 13.015 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.626 6.908 11.650 1.00 0.00 H new ATOM 1374 N THR A 92 -1.371 4.450 14.529 1.00 0.00 N ATOM 1375 CA THR A 92 -1.419 4.834 15.922 1.00 0.00 C ATOM 1376 C THR A 92 -1.020 6.299 16.079 1.00 0.00 C ATOM 1377 O THR A 92 0.113 6.675 15.778 1.00 0.00 O ATOM 1378 CB THR A 92 -0.474 3.960 16.764 1.00 0.00 C ATOM 1379 OG1 THR A 92 -0.517 2.605 16.295 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.865 4.005 18.233 1.00 0.00 C ATOM 0 H THR A 92 -0.500 4.000 14.247 1.00 0.00 H new ATOM 0 HA THR A 92 -2.441 4.692 16.274 1.00 0.00 H new ATOM 0 HB THR A 92 0.539 4.350 16.661 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.022 2.524 15.480 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.184 3.380 18.810 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.808 5.032 18.593 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.884 3.635 18.350 1.00 0.00 H new ATOM 1388 N PRO A 93 -1.954 7.149 16.528 1.00 0.00 N ATOM 1389 CA PRO A 93 -1.677 8.566 16.765 1.00 0.00 C ATOM 1390 C PRO A 93 -0.600 8.751 17.827 1.00 0.00 C ATOM 1391 O PRO A 93 -0.582 8.033 18.830 1.00 0.00 O ATOM 1392 CB PRO A 93 -3.018 9.123 17.256 1.00 0.00 C ATOM 1393 CG PRO A 93 -4.038 8.131 16.813 1.00 0.00 C ATOM 1394 CD PRO A 93 -3.348 6.799 16.837 1.00 0.00 C ATOM 0 HA PRO A 93 -1.304 9.070 15.873 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.024 9.237 18.340 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.215 10.107 16.831 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.903 8.136 17.477 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.403 8.365 15.813 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.437 6.315 17.809 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.766 6.114 16.100 1.00 0.00 H new ATOM 1402 N HIS A 94 0.303 9.699 17.601 1.00 0.00 N ATOM 1403 CA HIS A 94 1.397 9.935 18.536 1.00 0.00 C ATOM 1404 C HIS A 94 0.859 10.396 19.890 1.00 0.00 C ATOM 1405 O HIS A 94 -0.056 11.217 19.963 1.00 0.00 O ATOM 1406 CB HIS A 94 2.410 10.948 17.970 1.00 0.00 C ATOM 1407 CG HIS A 94 1.884 12.344 17.795 1.00 0.00 C ATOM 1408 ND1 HIS A 94 1.344 12.805 16.615 1.00 0.00 N ATOM 1409 CD2 HIS A 94 1.834 13.385 18.658 1.00 0.00 C ATOM 1410 CE1 HIS A 94 0.985 14.067 16.763 1.00 0.00 C ATOM 1411 NE2 HIS A 94 1.271 14.442 17.993 1.00 0.00 N ATOM 0 H HIS A 94 0.300 10.312 16.786 1.00 0.00 H new ATOM 0 HA HIS A 94 1.923 8.991 18.681 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.275 10.982 18.633 1.00 0.00 H new ATOM 0 HB3 HIS A 94 2.762 10.585 17.004 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.175 13.383 19.683 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.533 14.687 16.003 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.101 15.368 18.386 1.00 0.00 H new ATOM 1420 N ASN A 95 1.423 9.845 20.954 1.00 0.00 N ATOM 1421 CA ASN A 95 0.989 10.159 22.312 1.00 0.00 C ATOM 1422 C ASN A 95 1.686 11.415 22.822 1.00 0.00 C ATOM 1423 O ASN A 95 1.371 11.922 23.899 1.00 0.00 O ATOM 1424 CB ASN A 95 1.274 8.979 23.250 1.00 0.00 C ATOM 1425 CG ASN A 95 2.758 8.723 23.449 1.00 0.00 C ATOM 1426 OD1 ASN A 95 3.578 9.024 22.584 1.00 0.00 O ATOM 1427 ND2 ASN A 95 3.110 8.147 24.586 1.00 0.00 N ATOM 0 H ASN A 95 2.188 9.173 20.905 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.085 10.342 22.294 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.811 9.172 24.218 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.807 8.081 22.847 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.091 7.938 24.769 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.400 7.912 25.280 1.00 0.00 H new ATOM 1434 N GLY A 96 2.641 11.896 22.046 1.00 0.00 N ATOM 1435 CA GLY A 96 3.344 13.112 22.383 1.00 0.00 C ATOM 1436 C GLY A 96 4.338 13.487 21.307 1.00 0.00 C ATOM 1437 O GLY A 96 4.522 12.729 20.352 1.00 0.00 O ATOM 0 H GLY A 96 2.945 11.458 21.176 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.628 13.923 22.519 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.864 12.983 23.332 1.00 0.00 H new ATOM 1441 N PRO A 97 4.981 14.655 21.421 1.00 0.00 N ATOM 1442 CA PRO A 97 5.988 15.104 20.457 1.00 0.00 C ATOM 1443 C PRO A 97 7.236 14.227 20.489 1.00 0.00 C ATOM 1444 O PRO A 97 7.939 14.167 21.499 1.00 0.00 O ATOM 1445 CB PRO A 97 6.324 16.533 20.911 1.00 0.00 C ATOM 1446 CG PRO A 97 5.235 16.915 21.855 1.00 0.00 C ATOM 1447 CD PRO A 97 4.775 15.638 22.490 1.00 0.00 C ATOM 0 HA PRO A 97 5.621 15.053 19.432 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.298 16.571 21.399 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.365 17.215 20.062 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.598 17.616 22.606 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.417 17.407 21.329 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.356 15.396 23.380 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.730 15.691 22.796 1.00 0.00 H new ATOM 1455 N ILE A 98 7.505 13.545 19.387 1.00 0.00 N ATOM 1456 CA ILE A 98 8.654 12.658 19.304 1.00 0.00 C ATOM 1457 C ILE A 98 9.877 13.415 18.802 1.00 0.00 C ATOM 1458 O ILE A 98 9.900 13.898 17.669 1.00 0.00 O ATOM 1459 CB ILE A 98 8.376 11.452 18.384 1.00 0.00 C ATOM 1460 CG1 ILE A 98 7.144 10.687 18.878 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.592 10.533 18.327 1.00 0.00 C ATOM 1462 CD1 ILE A 98 6.812 9.468 18.047 1.00 0.00 C ATOM 0 H ILE A 98 6.943 13.589 18.537 1.00 0.00 H new ATOM 0 HA ILE A 98 8.848 12.282 20.309 1.00 0.00 H new ATOM 0 HB ILE A 98 8.178 11.817 17.376 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.309 10.378 19.910 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.286 11.359 18.880 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.379 9.687 17.673 1.00 0.00 H new ATOM 0 HG22 ILE A 98 10.448 11.085 17.938 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.820 10.169 19.329 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.929 8.978 18.457 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.615 9.771 17.019 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.653 8.775 18.066 1.00 0.00 H new ATOM 1474 N PRO A 99 10.903 13.543 19.653 1.00 0.00 N ATOM 1475 CA PRO A 99 12.116 14.289 19.325 1.00 0.00 C ATOM 1476 C PRO A 99 13.061 13.530 18.395 1.00 0.00 C ATOM 1477 O PRO A 99 13.550 12.447 18.726 1.00 0.00 O ATOM 1478 CB PRO A 99 12.771 14.507 20.688 1.00 0.00 C ATOM 1479 CG PRO A 99 12.315 13.360 21.522 1.00 0.00 C ATOM 1480 CD PRO A 99 10.950 12.980 21.017 1.00 0.00 C ATOM 0 HA PRO A 99 11.885 15.208 18.785 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.858 14.527 20.605 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.467 15.458 21.125 1.00 0.00 H new ATOM 0 HG2 PRO A 99 13.006 12.521 21.439 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.275 13.638 22.575 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.815 11.898 21.007 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.162 13.394 21.647 1.00 0.00 H new ATOM 1488 N ARG A 100 13.298 14.101 17.224 1.00 0.00 N ATOM 1489 CA ARG A 100 14.299 13.579 16.308 1.00 0.00 C ATOM 1490 C ARG A 100 15.674 14.044 16.774 1.00 0.00 C ATOM 1491 O ARG A 100 15.969 15.239 16.767 1.00 0.00 O ATOM 1492 CB ARG A 100 14.001 14.055 14.876 1.00 0.00 C ATOM 1493 CG ARG A 100 14.898 13.457 13.790 1.00 0.00 C ATOM 1494 CD ARG A 100 16.229 14.190 13.664 1.00 0.00 C ATOM 1495 NE ARG A 100 16.054 15.636 13.527 1.00 0.00 N ATOM 1496 CZ ARG A 100 17.062 16.507 13.442 1.00 0.00 C ATOM 1497 NH1 ARG A 100 18.314 16.085 13.338 1.00 0.00 N ATOM 1498 NH2 ARG A 100 16.814 17.808 13.428 1.00 0.00 N ATOM 0 H ARG A 100 12.808 14.929 16.885 1.00 0.00 H new ATOM 0 HA ARG A 100 14.277 12.489 16.303 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.964 13.817 14.640 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.094 15.141 14.844 1.00 0.00 H new ATOM 0 HG2 ARG A 100 15.085 12.407 14.015 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.377 13.490 12.833 1.00 0.00 H new ATOM 0 HD2 ARG A 100 16.841 13.982 14.542 1.00 0.00 H new ATOM 0 HD3 ARG A 100 16.772 13.808 12.799 1.00 0.00 H new ATOM 0 HE ARG A 100 15.102 16.001 13.494 1.00 0.00 H new ATOM 0 HH11 ARG A 100 18.516 15.085 13.322 1.00 0.00 H new ATOM 0 HH12 ARG A 100 19.076 16.760 13.274 1.00 0.00 H new ATOM 0 HH21 ARG A 100 15.853 18.145 13.482 1.00 0.00 H new ATOM 0 HH22 ARG A 100 17.584 18.473 13.363 1.00 0.00 H new ATOM 1512 N TYR A 101 16.500 13.103 17.207 1.00 0.00 N ATOM 1513 CA TYR A 101 17.813 13.437 17.741 1.00 0.00 C ATOM 1514 C TYR A 101 18.858 13.500 16.638 1.00 0.00 C ATOM 1515 O TYR A 101 19.641 14.448 16.566 1.00 0.00 O ATOM 1516 CB TYR A 101 18.245 12.419 18.797 1.00 0.00 C ATOM 1517 CG TYR A 101 17.404 12.435 20.053 1.00 0.00 C ATOM 1518 CD1 TYR A 101 17.264 13.595 20.805 1.00 0.00 C ATOM 1519 CD2 TYR A 101 16.770 11.284 20.497 1.00 0.00 C ATOM 1520 CE1 TYR A 101 16.514 13.606 21.964 1.00 0.00 C ATOM 1521 CE2 TYR A 101 16.015 11.288 21.653 1.00 0.00 C ATOM 1522 CZ TYR A 101 15.891 12.450 22.383 1.00 0.00 C ATOM 1523 OH TYR A 101 15.150 12.451 23.543 1.00 0.00 O ATOM 0 H TYR A 101 16.286 12.106 17.199 1.00 0.00 H new ATOM 0 HA TYR A 101 17.735 14.421 18.204 1.00 0.00 H new ATOM 0 HB2 TYR A 101 18.207 11.421 18.360 1.00 0.00 H new ATOM 0 HB3 TYR A 101 19.284 12.610 19.066 1.00 0.00 H new ATOM 0 HD1 TYR A 101 17.750 14.502 20.478 1.00 0.00 H new ATOM 0 HD2 TYR A 101 16.868 10.370 19.930 1.00 0.00 H new ATOM 0 HE1 TYR A 101 16.416 14.515 22.539 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.524 10.385 21.983 1.00 0.00 H new ATOM 0 HH TYR A 101 14.778 11.557 23.694 1.00 0.00 H new ATOM 1533 N VAL A 102 18.866 12.496 15.776 1.00 0.00 N ATOM 1534 CA VAL A 102 19.882 12.397 14.743 1.00 0.00 C ATOM 1535 C VAL A 102 19.278 12.569 13.352 1.00 0.00 C ATOM 1536 O VAL A 102 19.319 13.701 12.835 1.00 0.00 O ATOM 1537 CB VAL A 102 20.664 11.066 14.843 1.00 0.00 C ATOM 1538 CG1 VAL A 102 21.617 11.106 16.026 1.00 0.00 C ATOM 1539 CG2 VAL A 102 19.720 9.880 14.982 1.00 0.00 C ATOM 1540 OXT VAL A 102 18.751 11.592 12.791 1.00 0.00 O ATOM 0 H VAL A 102 18.181 11.740 15.772 1.00 0.00 H new ATOM 0 HA VAL A 102 20.589 13.211 14.905 1.00 0.00 H new ATOM 0 HB VAL A 102 21.234 10.943 13.922 1.00 0.00 H new ATOM 0 HG11 VAL A 102 22.162 10.164 16.086 1.00 0.00 H new ATOM 0 HG12 VAL A 102 22.323 11.926 15.897 1.00 0.00 H new ATOM 0 HG13 VAL A 102 21.050 11.257 16.945 1.00 0.00 H new ATOM 0 HG21 VAL A 102 20.300 8.959 15.050 1.00 0.00 H new ATOM 0 HG22 VAL A 102 19.119 9.997 15.883 1.00 0.00 H new ATOM 0 HG23 VAL A 102 19.065 9.833 14.112 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 2.975 -10.695 6.860 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 4.926 -6.796 20.212 1.00 0.00 ZN