USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 764 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 41 MET CE :methyl 152:sc= -2.99! (180deg=-1.05) USER MOD Set 1.2: A 46 THR OG1 : rot -70:sc= -0.351 USER MOD Set 2.1: A 28 MET CE :methyl -125:sc= -30.5! (180deg=-30.8!) USER MOD Set 2.2: A 80 MET CE :methyl 151:sc= -18.1! (180deg=-21.9!) USER MOD Set 3.1: A 21 MET CE :methyl -111:sc= -0.92 (180deg=-6.81!) USER MOD Set 3.2: A 76 TYR OH : rot 180:sc= -11.4! USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -120:sc= -0.164 USER MOD Single : A 22 SER OG : rot 57:sc= 0.628 USER MOD Single : A 29 GLN : amide:sc= -0.415 X(o=-0.42,f=0) USER MOD Single : A 33 SER OG : rot -86:sc= 0.718 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -7! C(o=-7!,f=-11!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -23.8! C(o=-24!,f=-23!) USER MOD Single : A 68 LYS NZ :NH3+ -134:sc= 0 (180deg=-2.76) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -41:sc= 0.609 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= -0.306 (180deg=-0.32) USER MOD Single : A 83 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.063) USER MOD Single : A 88 HIS : no HE2:sc= -24.7! C(o=-25!,f=-26!) USER MOD Single : A 89 THR OG1 : rot -62:sc= -1.72! USER MOD Single : A 91 ASN : amide:sc= -0.306 K(o=-0.31,f=-1) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 57:sc= 0.976 USER MOD Single : A 96 SER OG : rot 34:sc= 0.0517 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 99 CYS SG : rot 180:sc= 0.0243 USER MOD Single : A 100 TYR OH : rot 63:sc= 0.961 USER MOD Single : A 101 TYR OH : rot 180:sc= -0.0998 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 14 4.460 10.917 -5.716 1.00 0.00 N ATOM 28 CA PRO A 14 5.729 10.816 -5.028 1.00 0.00 C ATOM 29 C PRO A 14 6.218 9.375 -5.068 1.00 0.00 C ATOM 30 O PRO A 14 7.322 9.079 -4.616 1.00 0.00 O ATOM 31 CB PRO A 14 5.433 11.253 -3.595 1.00 0.00 C ATOM 32 CG PRO A 14 3.974 10.838 -3.409 1.00 0.00 C ATOM 33 CD PRO A 14 3.370 11.111 -4.784 1.00 0.00 C ATOM 0 HA PRO A 14 6.508 11.429 -5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.089 10.759 -2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.568 12.327 -3.463 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.884 9.789 -3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.484 11.420 -2.629 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.545 10.431 -4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.972 12.124 -4.847 1.00 0.00 H new ATOM 41 N LEU A 15 5.392 8.477 -5.612 1.00 0.00 N ATOM 42 CA LEU A 15 5.743 7.074 -5.707 1.00 0.00 C ATOM 43 C LEU A 15 5.523 6.583 -7.131 1.00 0.00 C ATOM 44 O LEU A 15 4.864 7.249 -7.925 1.00 0.00 O ATOM 45 CB LEU A 15 4.900 6.271 -4.721 1.00 0.00 C ATOM 46 CG LEU A 15 4.735 7.065 -3.429 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.806 6.310 -2.483 1.00 0.00 C ATOM 48 CD2 LEU A 15 6.098 7.247 -2.767 1.00 0.00 C ATOM 0 H LEU A 15 4.474 8.707 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 15 6.795 6.941 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.924 6.053 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.377 5.313 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 15 4.307 8.042 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.688 6.877 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.833 6.180 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.233 5.333 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.981 7.814 -1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.526 6.270 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.762 7.787 -3.443 1.00 0.00 H new ATOM 60 N THR A 16 6.077 5.411 -7.452 1.00 0.00 N ATOM 61 CA THR A 16 5.935 4.840 -8.776 1.00 0.00 C ATOM 62 C THR A 16 5.871 3.323 -8.683 1.00 0.00 C ATOM 63 O THR A 16 5.031 2.693 -9.321 1.00 0.00 O ATOM 64 CB THR A 16 7.109 5.279 -9.647 1.00 0.00 C ATOM 65 OG1 THR A 16 7.583 6.530 -9.201 1.00 0.00 O ATOM 66 CG2 THR A 16 6.651 5.397 -11.098 1.00 0.00 C ATOM 0 H THR A 16 6.627 4.845 -6.806 1.00 0.00 H new ATOM 0 HA THR A 16 5.009 5.194 -9.230 1.00 0.00 H new ATOM 0 HB THR A 16 7.908 4.541 -9.577 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.338 6.812 -9.759 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.490 5.711 -11.720 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.284 4.430 -11.444 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.851 6.134 -11.168 1.00 0.00 H new ATOM 74 N VAL A 17 6.765 2.735 -7.883 1.00 0.00 N ATOM 75 CA VAL A 17 6.807 1.297 -7.709 1.00 0.00 C ATOM 76 C VAL A 17 8.131 0.894 -7.077 1.00 0.00 C ATOM 77 O VAL A 17 8.182 -0.041 -6.281 1.00 0.00 O ATOM 78 CB VAL A 17 6.623 0.616 -9.062 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.676 -0.476 -9.229 1.00 0.00 C ATOM 80 CG2 VAL A 17 5.231 -0.003 -9.135 1.00 0.00 C ATOM 0 H VAL A 17 7.469 3.243 -7.347 1.00 0.00 H new ATOM 0 HA VAL A 17 6.000 0.982 -7.047 1.00 0.00 H new ATOM 0 HB VAL A 17 6.734 1.352 -9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.545 -0.963 -10.195 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.671 -0.033 -9.178 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.565 -1.213 -8.433 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.099 -0.490 -10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.118 -0.740 -8.340 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.479 0.777 -9.016 1.00 0.00 H new ATOM 90 N LYS A 18 9.205 1.603 -7.433 1.00 0.00 N ATOM 91 CA LYS A 18 10.521 1.315 -6.898 1.00 0.00 C ATOM 92 C LYS A 18 10.776 2.166 -5.663 1.00 0.00 C ATOM 93 O LYS A 18 11.819 2.041 -5.025 1.00 0.00 O ATOM 94 CB LYS A 18 11.574 1.587 -7.969 1.00 0.00 C ATOM 95 CG LYS A 18 11.381 0.617 -9.131 1.00 0.00 C ATOM 96 CD LYS A 18 12.641 -0.225 -9.308 1.00 0.00 C ATOM 97 CE LYS A 18 12.280 -1.549 -9.974 1.00 0.00 C ATOM 98 NZ LYS A 18 13.399 -2.501 -9.898 1.00 0.00 N ATOM 0 H LYS A 18 9.180 2.381 -8.092 1.00 0.00 H new ATOM 0 HA LYS A 18 10.577 0.266 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.492 2.615 -8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.573 1.473 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.524 -0.029 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.168 1.168 -10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.368 0.313 -9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.108 -0.408 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.402 -1.976 -9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.016 -1.375 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.128 -3.393 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.229 -2.101 -10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.633 -2.683 -8.901 1.00 0.00 H new ATOM 112 N SER A 19 9.819 3.033 -5.325 1.00 0.00 N ATOM 113 CA SER A 19 9.944 3.897 -4.169 1.00 0.00 C ATOM 114 C SER A 19 10.321 3.073 -2.946 1.00 0.00 C ATOM 115 O SER A 19 9.807 1.974 -2.753 1.00 0.00 O ATOM 116 CB SER A 19 8.627 4.633 -3.940 1.00 0.00 C ATOM 117 OG SER A 19 8.753 5.968 -4.377 1.00 0.00 O ATOM 0 H SER A 19 8.948 3.149 -5.844 1.00 0.00 H new ATOM 0 HA SER A 19 10.730 4.632 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.822 4.136 -4.481 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.363 4.608 -2.883 1.00 0.00 H new ATOM 0 HG SER A 19 8.590 6.575 -3.625 1.00 0.00 H new ATOM 123 N ASP A 20 11.222 3.608 -2.119 1.00 0.00 N ATOM 124 CA ASP A 20 11.662 2.921 -0.921 1.00 0.00 C ATOM 125 C ASP A 20 10.484 2.207 -0.275 1.00 0.00 C ATOM 126 O ASP A 20 9.543 2.849 0.184 1.00 0.00 O ATOM 127 CB ASP A 20 12.280 3.929 0.044 1.00 0.00 C ATOM 128 CG ASP A 20 13.639 3.451 0.534 1.00 0.00 C ATOM 129 OD1 ASP A 20 13.704 2.284 0.978 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.588 4.261 0.455 1.00 0.00 O ATOM 0 H ASP A 20 11.658 4.519 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 20 12.415 2.176 -1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.387 4.894 -0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.615 4.079 0.894 1.00 0.00 H new ATOM 136 N MET A 21 10.538 0.873 -0.240 1.00 0.00 N ATOM 137 CA MET A 21 9.475 0.083 0.348 1.00 0.00 C ATOM 138 C MET A 21 8.999 0.733 1.639 1.00 0.00 C ATOM 139 O MET A 21 7.798 0.888 1.853 1.00 0.00 O ATOM 140 CB MET A 21 9.981 -1.332 0.612 1.00 0.00 C ATOM 141 CG MET A 21 9.679 -2.215 -0.596 1.00 0.00 C ATOM 142 SD MET A 21 11.026 -2.297 -1.802 1.00 0.00 S ATOM 143 CE MET A 21 10.485 -0.989 -2.930 1.00 0.00 C ATOM 0 H MET A 21 11.312 0.325 -0.615 1.00 0.00 H new ATOM 0 HA MET A 21 8.632 0.033 -0.341 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.054 -1.316 0.805 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.503 -1.740 1.503 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.454 -3.223 -0.249 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.783 -1.841 -1.092 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.176 -1.430 -3.878 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.645 -0.452 -2.489 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.308 -0.295 -3.104 1.00 0.00 H new ATOM 153 N SER A 22 9.944 1.115 2.500 1.00 0.00 N ATOM 154 CA SER A 22 9.617 1.747 3.762 1.00 0.00 C ATOM 155 C SER A 22 8.848 3.037 3.510 1.00 0.00 C ATOM 156 O SER A 22 7.933 3.373 4.259 1.00 0.00 O ATOM 157 CB SER A 22 10.901 2.026 4.539 1.00 0.00 C ATOM 158 OG SER A 22 10.580 2.371 5.868 1.00 0.00 O ATOM 0 H SER A 22 10.944 0.993 2.338 1.00 0.00 H new ATOM 0 HA SER A 22 8.987 1.082 4.353 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.545 1.147 4.526 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.457 2.836 4.066 1.00 0.00 H new ATOM 0 HG SER A 22 10.052 1.652 6.274 1.00 0.00 H new ATOM 164 N ALA A 23 9.222 3.759 2.451 1.00 0.00 N ATOM 165 CA ALA A 23 8.568 5.005 2.106 1.00 0.00 C ATOM 166 C ALA A 23 7.130 4.733 1.688 1.00 0.00 C ATOM 167 O ALA A 23 6.236 5.525 1.980 1.00 0.00 O ATOM 168 CB ALA A 23 9.339 5.688 0.981 1.00 0.00 C ATOM 0 H ALA A 23 9.979 3.493 1.821 1.00 0.00 H new ATOM 0 HA ALA A 23 8.555 5.666 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.848 6.626 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.358 5.891 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.363 5.036 0.108 1.00 0.00 H new ATOM 174 N ILE A 24 6.908 3.610 1.000 1.00 0.00 N ATOM 175 CA ILE A 24 5.583 3.239 0.546 1.00 0.00 C ATOM 176 C ILE A 24 4.709 2.886 1.741 1.00 0.00 C ATOM 177 O ILE A 24 3.641 3.467 1.924 1.00 0.00 O ATOM 178 CB ILE A 24 5.688 2.058 -0.415 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.410 2.499 -1.685 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.288 1.566 -0.771 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.596 3.585 -2.383 1.00 0.00 C ATOM 0 H ILE A 24 7.639 2.945 0.749 1.00 0.00 H new ATOM 0 HA ILE A 24 5.125 4.078 0.021 1.00 0.00 H new ATOM 0 HB ILE A 24 6.247 1.252 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.403 2.875 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.548 1.648 -2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.362 0.723 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.771 1.252 0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.729 2.372 -1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.112 3.900 -3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.613 3.193 -2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.481 4.439 -1.716 1.00 0.00 H new ATOM 193 N VAL A 25 5.165 1.932 2.556 1.00 0.00 N ATOM 194 CA VAL A 25 4.425 1.507 3.727 1.00 0.00 C ATOM 195 C VAL A 25 4.114 2.712 4.604 1.00 0.00 C ATOM 196 O VAL A 25 3.012 2.827 5.136 1.00 0.00 O ATOM 197 CB VAL A 25 5.242 0.474 4.497 1.00 0.00 C ATOM 198 CG1 VAL A 25 4.434 -0.026 5.691 1.00 0.00 C ATOM 199 CG2 VAL A 25 5.572 -0.700 3.579 1.00 0.00 C ATOM 0 H VAL A 25 6.049 1.442 2.418 1.00 0.00 H new ATOM 0 HA VAL A 25 3.483 1.051 3.422 1.00 0.00 H new ATOM 0 HB VAL A 25 6.167 0.931 4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.017 -0.764 6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.197 0.812 6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.509 -0.483 5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.156 -1.439 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.647 -1.157 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.149 -0.344 2.726 1.00 0.00 H new ATOM 209 N ARG A 26 5.089 3.611 4.753 1.00 0.00 N ATOM 210 CA ARG A 26 4.916 4.800 5.564 1.00 0.00 C ATOM 211 C ARG A 26 3.741 5.613 5.041 1.00 0.00 C ATOM 212 O ARG A 26 2.872 6.017 5.811 1.00 0.00 O ATOM 213 CB ARG A 26 6.200 5.625 5.535 1.00 0.00 C ATOM 214 CG ARG A 26 6.895 5.531 6.890 1.00 0.00 C ATOM 215 CD ARG A 26 7.800 4.302 6.913 1.00 0.00 C ATOM 216 NE ARG A 26 8.475 4.170 8.204 1.00 0.00 N ATOM 217 CZ ARG A 26 9.430 5.016 8.613 1.00 0.00 C ATOM 218 NH1 ARG A 26 9.803 6.036 7.828 1.00 0.00 N ATOM 219 NH2 ARG A 26 10.012 4.843 9.808 1.00 0.00 N ATOM 0 H ARG A 26 6.008 3.530 4.317 1.00 0.00 H new ATOM 0 HA ARG A 26 4.706 4.515 6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.861 5.261 4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.972 6.665 5.303 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.482 6.431 7.073 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.154 5.465 7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.209 3.408 6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.541 4.377 6.117 1.00 0.00 H new ATOM 0 HE ARG A 26 8.207 3.401 8.819 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.360 6.168 6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.530 6.680 8.140 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.728 4.067 10.406 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.739 5.487 10.119 1.00 0.00 H new ATOM 233 N VAL A 27 3.715 5.852 3.728 1.00 0.00 N ATOM 234 CA VAL A 27 2.648 6.614 3.110 1.00 0.00 C ATOM 235 C VAL A 27 1.303 6.002 3.470 1.00 0.00 C ATOM 236 O VAL A 27 0.466 6.656 4.088 1.00 0.00 O ATOM 237 CB VAL A 27 2.847 6.632 1.597 1.00 0.00 C ATOM 238 CG1 VAL A 27 1.764 7.490 0.951 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.219 7.215 1.272 1.00 0.00 C ATOM 0 H VAL A 27 4.428 5.524 3.077 1.00 0.00 H new ATOM 0 HA VAL A 27 2.668 7.640 3.478 1.00 0.00 H new ATOM 0 HB VAL A 27 2.783 5.615 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.906 7.503 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.784 7.074 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.827 8.507 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.362 7.228 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.283 8.232 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.993 6.602 1.733 1.00 0.00 H new ATOM 249 N MET A 28 1.095 4.741 3.083 1.00 0.00 N ATOM 250 CA MET A 28 -0.147 4.051 3.367 1.00 0.00 C ATOM 251 C MET A 28 -0.573 4.319 4.803 1.00 0.00 C ATOM 252 O MET A 28 -1.746 4.570 5.070 1.00 0.00 O ATOM 253 CB MET A 28 0.037 2.555 3.129 1.00 0.00 C ATOM 254 CG MET A 28 0.707 2.333 1.776 1.00 0.00 C ATOM 255 SD MET A 28 0.089 0.889 0.878 1.00 0.00 S ATOM 256 CE MET A 28 0.819 -0.419 1.895 1.00 0.00 C ATOM 0 H MET A 28 1.778 4.183 2.571 1.00 0.00 H new ATOM 0 HA MET A 28 -0.930 4.419 2.703 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.645 2.122 3.923 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.929 2.050 3.156 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.562 3.221 1.160 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.781 2.222 1.927 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.411 -1.082 1.265 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.460 0.027 2.656 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.026 -0.990 2.378 1.00 0.00 H new ATOM 266 N GLN A 29 0.386 4.266 5.731 1.00 0.00 N ATOM 267 CA GLN A 29 0.107 4.502 7.133 1.00 0.00 C ATOM 268 C GLN A 29 -0.502 5.885 7.312 1.00 0.00 C ATOM 269 O GLN A 29 -1.494 6.042 8.022 1.00 0.00 O ATOM 270 CB GLN A 29 1.398 4.371 7.936 1.00 0.00 C ATOM 271 CG GLN A 29 1.373 3.070 8.732 1.00 0.00 C ATOM 272 CD GLN A 29 2.376 3.114 9.876 1.00 0.00 C ATOM 273 OE1 GLN A 29 2.132 2.549 10.940 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.506 3.791 9.656 1.00 0.00 N ATOM 0 H GLN A 29 1.364 4.060 5.526 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.608 3.763 7.495 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.258 4.383 7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.507 5.220 8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.372 2.900 9.127 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.602 2.232 8.074 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.662 4.243 8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.213 3.856 10.389 1.00 0.00 H new ATOM 283 N LEU A 30 0.094 6.890 6.666 1.00 0.00 N ATOM 284 CA LEU A 30 -0.392 8.253 6.756 1.00 0.00 C ATOM 285 C LEU A 30 -1.903 8.276 6.573 1.00 0.00 C ATOM 286 O LEU A 30 -2.431 7.631 5.669 1.00 0.00 O ATOM 287 CB LEU A 30 0.294 9.108 5.695 1.00 0.00 C ATOM 288 CG LEU A 30 1.797 9.139 5.961 1.00 0.00 C ATOM 289 CD1 LEU A 30 2.523 9.642 4.717 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.087 10.072 7.133 1.00 0.00 C ATOM 0 H LEU A 30 0.917 6.776 6.074 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.159 8.661 7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.098 8.702 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.110 10.120 5.711 1.00 0.00 H new ATOM 0 HG LEU A 30 2.144 8.135 6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.596 9.664 4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.316 8.975 3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.176 10.647 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.160 10.094 7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.740 11.077 6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.568 9.712 8.022 1.00 0.00 H new ATOM 302 N PRO A 31 -2.598 9.022 7.434 1.00 0.00 N ATOM 303 CA PRO A 31 -4.038 9.165 7.411 1.00 0.00 C ATOM 304 C PRO A 31 -4.447 10.027 6.225 1.00 0.00 C ATOM 305 O PRO A 31 -5.631 10.292 6.026 1.00 0.00 O ATOM 306 CB PRO A 31 -4.384 9.851 8.731 1.00 0.00 C ATOM 307 CG PRO A 31 -3.138 10.689 9.014 1.00 0.00 C ATOM 308 CD PRO A 31 -2.010 9.793 8.508 1.00 0.00 C ATOM 0 HA PRO A 31 -4.557 8.212 7.306 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.277 10.470 8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.574 9.128 9.525 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.164 11.644 8.488 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.033 10.912 10.076 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.165 10.384 8.153 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.635 9.145 9.300 1.00 0.00 H new ATOM 316 N ASP A 32 -3.463 10.465 5.436 1.00 0.00 N ATOM 317 CA ASP A 32 -3.725 11.295 4.278 1.00 0.00 C ATOM 318 C ASP A 32 -3.192 10.615 3.026 1.00 0.00 C ATOM 319 O ASP A 32 -2.844 11.283 2.054 1.00 0.00 O ATOM 320 CB ASP A 32 -3.071 12.660 4.472 1.00 0.00 C ATOM 321 CG ASP A 32 -4.002 13.609 5.215 1.00 0.00 C ATOM 322 OD1 ASP A 32 -3.933 13.610 6.463 1.00 0.00 O ATOM 323 OD2 ASP A 32 -4.764 14.315 4.520 1.00 0.00 O ATOM 0 H ASP A 32 -2.477 10.253 5.586 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.800 11.435 4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.141 12.546 5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.811 13.084 3.502 1.00 0.00 H new ATOM 329 N SER A 33 -3.127 9.281 3.050 1.00 0.00 N ATOM 330 CA SER A 33 -2.637 8.520 1.918 1.00 0.00 C ATOM 331 C SER A 33 -3.807 7.893 1.172 1.00 0.00 C ATOM 332 O SER A 33 -3.691 7.568 -0.007 1.00 0.00 O ATOM 333 CB SER A 33 -1.671 7.446 2.409 1.00 0.00 C ATOM 334 OG SER A 33 -2.393 6.428 3.065 1.00 0.00 O ATOM 0 H SER A 33 -3.411 8.712 3.848 1.00 0.00 H new ATOM 0 HA SER A 33 -2.107 9.181 1.232 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.116 7.029 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.939 7.883 3.088 1.00 0.00 H new ATOM 0 HG SER A 33 -2.525 6.674 4.004 1.00 0.00 H new ATOM 340 N GLY A 34 -4.937 7.725 1.863 1.00 0.00 N ATOM 341 CA GLY A 34 -6.117 7.140 1.259 1.00 0.00 C ATOM 342 C GLY A 34 -6.275 5.693 1.705 1.00 0.00 C ATOM 343 O GLY A 34 -7.214 5.013 1.295 1.00 0.00 O ATOM 0 H GLY A 34 -5.051 7.989 2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.000 7.713 1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.039 7.187 0.173 1.00 0.00 H new ATOM 347 N LEU A 35 -5.352 5.222 2.547 1.00 0.00 N ATOM 348 CA LEU A 35 -5.392 3.861 3.043 1.00 0.00 C ATOM 349 C LEU A 35 -5.595 3.867 4.552 1.00 0.00 C ATOM 350 O LEU A 35 -6.553 3.285 5.054 1.00 0.00 O ATOM 351 CB LEU A 35 -4.094 3.148 2.675 1.00 0.00 C ATOM 352 CG LEU A 35 -4.276 1.642 2.845 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.674 1.242 2.382 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.233 0.906 2.009 1.00 0.00 C ATOM 0 H LEU A 35 -4.568 5.773 2.896 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.226 3.328 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.819 3.378 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.280 3.501 3.309 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.152 1.378 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.804 0.167 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.419 1.767 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.799 1.506 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.363 -0.169 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.356 1.170 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.234 1.191 2.340 1.00 0.00 H new ATOM 366 N GLU A 36 -4.689 4.529 5.275 1.00 0.00 N ATOM 367 CA GLU A 36 -4.776 4.607 6.719 1.00 0.00 C ATOM 368 C GLU A 36 -4.737 3.208 7.318 1.00 0.00 C ATOM 369 O GLU A 36 -5.690 2.444 7.181 1.00 0.00 O ATOM 370 CB GLU A 36 -6.062 5.327 7.112 1.00 0.00 C ATOM 371 CG GLU A 36 -5.815 6.166 8.362 1.00 0.00 C ATOM 372 CD GLU A 36 -6.708 7.398 8.375 1.00 0.00 C ATOM 373 OE1 GLU A 36 -7.029 7.878 7.267 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.052 7.838 9.494 1.00 0.00 O ATOM 0 H GLU A 36 -3.888 5.017 4.875 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.926 5.169 7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.399 5.964 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.854 4.602 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.005 5.565 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.769 6.470 8.400 1.00 0.00 H new ATOM 382 N ILE A 37 -3.629 2.874 7.985 1.00 0.00 N ATOM 383 CA ILE A 37 -3.470 1.573 8.604 1.00 0.00 C ATOM 384 C ILE A 37 -3.524 1.713 10.119 1.00 0.00 C ATOM 385 O ILE A 37 -2.581 2.207 10.732 1.00 0.00 O ATOM 386 CB ILE A 37 -2.143 0.960 8.164 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.859 1.349 6.716 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.223 -0.559 8.276 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.661 0.448 5.780 1.00 0.00 C ATOM 0 H ILE A 37 -2.830 3.496 8.106 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.281 0.915 8.291 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.342 1.330 8.804 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.125 2.393 6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.794 1.254 6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.276 -0.997 7.962 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.427 -0.837 9.310 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.024 -0.929 7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.458 0.726 4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.373 -0.591 5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.725 0.565 5.985 1.00 0.00 H new ATOM 401 N ARG A 38 -4.633 1.277 10.721 1.00 0.00 N ATOM 402 CA ARG A 38 -4.805 1.356 12.158 1.00 0.00 C ATOM 403 C ARG A 38 -6.228 0.966 12.529 1.00 0.00 C ATOM 404 O ARG A 38 -6.459 0.390 13.590 1.00 0.00 O ATOM 405 CB ARG A 38 -4.493 2.774 12.628 1.00 0.00 C ATOM 406 CG ARG A 38 -3.185 2.773 13.415 1.00 0.00 C ATOM 407 CD ARG A 38 -2.236 3.813 12.827 1.00 0.00 C ATOM 408 NE ARG A 38 -2.011 4.910 13.768 1.00 0.00 N ATOM 409 CZ ARG A 38 -2.904 5.889 13.968 1.00 0.00 C ATOM 410 NH1 ARG A 38 -4.062 5.888 13.292 1.00 0.00 N ATOM 411 NH2 ARG A 38 -2.640 6.869 14.843 1.00 0.00 N ATOM 0 H ARG A 38 -5.424 0.865 10.226 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.120 0.665 12.650 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.414 3.443 11.771 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.305 3.149 13.251 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.380 2.995 14.464 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.727 1.785 13.378 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.285 3.343 12.578 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.651 4.205 11.898 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.137 4.931 14.294 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.263 5.142 12.626 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.742 6.633 13.444 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.759 6.870 15.357 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.320 7.614 14.995 1.00 0.00 H new ATOM 425 N ASP A 39 -7.184 1.282 11.652 1.00 0.00 N ATOM 426 CA ASP A 39 -8.577 0.964 11.892 1.00 0.00 C ATOM 427 C ASP A 39 -9.276 0.683 10.570 1.00 0.00 C ATOM 428 O ASP A 39 -9.157 1.461 9.626 1.00 0.00 O ATOM 429 CB ASP A 39 -9.244 2.126 12.622 1.00 0.00 C ATOM 430 CG ASP A 39 -8.269 2.801 13.576 1.00 0.00 C ATOM 431 OD1 ASP A 39 -7.890 3.954 13.278 1.00 0.00 O ATOM 432 OD2 ASP A 39 -7.921 2.151 14.585 1.00 0.00 O ATOM 0 H ASP A 39 -7.009 1.760 10.768 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.650 0.072 12.515 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.612 2.853 11.897 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.109 1.763 13.177 1.00 0.00 H new ATOM 438 N ARG A 40 -10.008 -0.432 10.504 1.00 0.00 N ATOM 439 CA ARG A 40 -10.720 -0.809 9.300 1.00 0.00 C ATOM 440 C ARG A 40 -12.029 -1.492 9.668 1.00 0.00 C ATOM 441 O ARG A 40 -12.341 -1.646 10.847 1.00 0.00 O ATOM 442 CB ARG A 40 -9.845 -1.736 8.462 1.00 0.00 C ATOM 443 CG ARG A 40 -8.832 -0.906 7.677 1.00 0.00 C ATOM 444 CD ARG A 40 -9.291 -0.780 6.227 1.00 0.00 C ATOM 445 NE ARG A 40 -9.496 0.621 5.861 1.00 0.00 N ATOM 446 CZ ARG A 40 -10.639 1.276 6.107 1.00 0.00 C ATOM 447 NH1 ARG A 40 -11.654 0.647 6.714 1.00 0.00 N ATOM 448 NH2 ARG A 40 -10.766 2.560 5.746 1.00 0.00 N ATOM 0 H ARG A 40 -10.118 -1.086 11.279 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.949 0.081 8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.328 -2.447 9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.463 -2.317 7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.731 0.083 8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.850 -1.377 7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.548 -1.227 5.567 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.218 -1.336 6.086 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.737 1.121 5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.557 -0.330 6.989 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.524 1.145 6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.993 3.039 5.284 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.636 3.059 5.933 1.00 0.00 H new ATOM 462 N MET A 41 -12.797 -1.903 8.656 1.00 0.00 N ATOM 463 CA MET A 41 -14.066 -2.564 8.881 1.00 0.00 C ATOM 464 C MET A 41 -14.102 -3.886 8.128 1.00 0.00 C ATOM 465 O MET A 41 -13.602 -3.980 7.009 1.00 0.00 O ATOM 466 CB MET A 41 -15.202 -1.652 8.425 1.00 0.00 C ATOM 467 CG MET A 41 -15.354 -0.498 9.411 1.00 0.00 C ATOM 468 SD MET A 41 -17.064 0.047 9.646 1.00 0.00 S ATOM 469 CE MET A 41 -17.678 -1.344 10.629 1.00 0.00 C ATOM 0 H MET A 41 -12.553 -1.785 7.673 1.00 0.00 H new ATOM 0 HA MET A 41 -14.187 -2.771 9.944 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.995 -1.267 7.427 1.00 0.00 H new ATOM 0 HB3 MET A 41 -16.133 -2.216 8.362 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.944 -0.800 10.375 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.759 0.346 9.062 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.491 -1.005 11.271 1.00 0.00 H new ATOM 0 HE2 MET A 41 -18.043 -2.127 9.964 1.00 0.00 H new ATOM 0 HE3 MET A 41 -16.870 -1.739 11.245 1.00 0.00 H new ATOM 479 N TRP A 42 -14.696 -4.911 8.744 1.00 0.00 N ATOM 480 CA TRP A 42 -14.794 -6.218 8.126 1.00 0.00 C ATOM 481 C TRP A 42 -15.814 -7.068 8.870 1.00 0.00 C ATOM 482 O TRP A 42 -15.847 -7.069 10.099 1.00 0.00 O ATOM 483 CB TRP A 42 -13.423 -6.887 8.135 1.00 0.00 C ATOM 484 CG TRP A 42 -13.408 -8.300 7.647 1.00 0.00 C ATOM 485 CD1 TRP A 42 -12.894 -9.353 8.319 1.00 0.00 C ATOM 486 CD2 TRP A 42 -13.922 -8.841 6.391 1.00 0.00 C ATOM 487 NE1 TRP A 42 -13.052 -10.500 7.571 1.00 0.00 N ATOM 488 CE2 TRP A 42 -13.682 -10.242 6.370 1.00 0.00 C ATOM 489 CE3 TRP A 42 -14.565 -8.292 5.268 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -14.058 -11.053 5.296 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -14.948 -9.097 4.185 1.00 0.00 C ATOM 492 CH2 TRP A 42 -14.696 -10.474 4.196 1.00 0.00 C ATOM 0 H TRP A 42 -15.115 -4.852 9.672 1.00 0.00 H new ATOM 0 HA TRP A 42 -15.126 -6.111 7.093 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -12.744 -6.298 7.519 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -13.031 -6.865 9.152 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.430 -9.304 9.293 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.742 -11.425 7.868 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -14.768 -7.232 5.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -13.858 -12.114 5.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -15.442 -8.650 3.335 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -14.994 -11.086 3.358 1.00 0.00 H new ATOM 503 N LEU A 43 -16.648 -7.794 8.122 1.00 0.00 N ATOM 504 CA LEU A 43 -17.663 -8.643 8.711 1.00 0.00 C ATOM 505 C LEU A 43 -18.694 -7.790 9.436 1.00 0.00 C ATOM 506 O LEU A 43 -19.355 -8.262 10.358 1.00 0.00 O ATOM 507 CB LEU A 43 -17.004 -9.629 9.673 1.00 0.00 C ATOM 508 CG LEU A 43 -16.789 -10.963 8.965 1.00 0.00 C ATOM 509 CD1 LEU A 43 -15.299 -11.169 8.708 1.00 0.00 C ATOM 510 CD2 LEU A 43 -17.315 -12.095 9.842 1.00 0.00 C ATOM 0 H LEU A 43 -16.633 -7.804 7.102 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.172 -9.204 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -16.050 -9.232 10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -17.631 -9.769 10.553 1.00 0.00 H new ATOM 0 HG LEU A 43 -17.324 -10.960 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -15.145 -12.122 8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.923 -10.361 8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.763 -11.171 9.657 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.162 -13.048 9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.780 -12.098 10.792 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -18.379 -11.949 10.025 1.00 0.00 H new ATOM 522 N LYS A 44 -18.829 -6.530 9.017 1.00 0.00 N ATOM 523 CA LYS A 44 -19.778 -5.620 9.628 1.00 0.00 C ATOM 524 C LYS A 44 -19.298 -5.229 11.018 1.00 0.00 C ATOM 525 O LYS A 44 -20.085 -4.764 11.841 1.00 0.00 O ATOM 526 CB LYS A 44 -21.149 -6.287 9.696 1.00 0.00 C ATOM 527 CG LYS A 44 -21.889 -6.062 8.380 1.00 0.00 C ATOM 528 CD LYS A 44 -23.159 -5.259 8.641 1.00 0.00 C ATOM 529 CE LYS A 44 -24.122 -6.088 9.486 1.00 0.00 C ATOM 530 NZ LYS A 44 -25.107 -6.778 8.640 1.00 0.00 N ATOM 0 H LYS A 44 -18.288 -6.123 8.254 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.858 -4.715 9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -21.037 -7.355 9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.725 -5.875 10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -21.248 -5.530 7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -22.139 -7.019 7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.915 -4.330 9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -23.630 -4.986 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -23.562 -6.820 10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -24.637 -5.441 10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.750 -7.335 9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -25.655 -6.076 8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.614 -7.412 7.979 1.00 0.00 H new ATOM 544 N ILE A 45 -18.003 -5.420 11.280 1.00 0.00 N ATOM 545 CA ILE A 45 -17.424 -5.087 12.566 1.00 0.00 C ATOM 546 C ILE A 45 -16.328 -4.046 12.383 1.00 0.00 C ATOM 547 O ILE A 45 -16.062 -3.613 11.264 1.00 0.00 O ATOM 548 CB ILE A 45 -16.867 -6.351 13.215 1.00 0.00 C ATOM 549 CG1 ILE A 45 -17.688 -7.557 12.768 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.944 -6.218 14.733 1.00 0.00 C ATOM 551 CD1 ILE A 45 -19.144 -7.363 13.181 1.00 0.00 C ATOM 0 H ILE A 45 -17.339 -5.806 10.609 1.00 0.00 H new ATOM 0 HA ILE A 45 -18.191 -4.668 13.218 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.828 -6.487 12.914 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.619 -7.677 11.687 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -17.290 -8.467 13.216 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.546 -7.120 15.198 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.358 -5.356 15.053 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.983 -6.082 15.034 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -19.731 -8.224 12.862 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -19.205 -7.264 14.265 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -19.538 -6.462 12.712 1.00 0.00 H new ATOM 563 N THR A 46 -15.693 -3.643 13.486 1.00 0.00 N ATOM 564 CA THR A 46 -14.632 -2.658 13.436 1.00 0.00 C ATOM 565 C THR A 46 -13.397 -3.189 14.150 1.00 0.00 C ATOM 566 O THR A 46 -13.501 -3.768 15.229 1.00 0.00 O ATOM 567 CB THR A 46 -15.113 -1.361 14.082 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.074 -0.751 13.249 1.00 0.00 O ATOM 569 CG2 THR A 46 -13.930 -0.416 14.270 1.00 0.00 C ATOM 0 H THR A 46 -15.902 -3.990 14.422 1.00 0.00 H new ATOM 0 HA THR A 46 -14.367 -2.457 12.398 1.00 0.00 H new ATOM 0 HB THR A 46 -15.559 -1.581 15.052 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.637 -0.408 12.442 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.274 0.510 14.731 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.186 -0.887 14.913 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.484 -0.195 13.301 1.00 0.00 H new ATOM 577 N ILE A 47 -12.224 -2.989 13.543 1.00 0.00 N ATOM 578 CA ILE A 47 -10.975 -3.444 14.120 1.00 0.00 C ATOM 579 C ILE A 47 -10.046 -2.258 14.336 1.00 0.00 C ATOM 580 O ILE A 47 -10.280 -1.178 13.799 1.00 0.00 O ATOM 581 CB ILE A 47 -10.334 -4.474 13.194 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.220 -5.715 13.122 1.00 0.00 C ATOM 583 CG2 ILE A 47 -8.961 -4.860 13.737 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.815 -5.833 11.722 1.00 0.00 C ATOM 0 H ILE A 47 -12.123 -2.511 12.647 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.164 -3.912 15.086 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.224 -4.048 12.197 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.637 -6.605 13.358 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.017 -5.650 13.863 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.502 -5.596 13.076 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.328 -3.974 13.789 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.071 -5.286 14.734 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.448 -6.719 11.669 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.412 -4.947 11.504 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.011 -5.917 10.991 1.00 0.00 H new ATOM 596 N ALA A 48 -8.988 -2.463 15.125 1.00 0.00 N ATOM 597 CA ALA A 48 -8.031 -1.412 15.408 1.00 0.00 C ATOM 598 C ALA A 48 -6.693 -1.746 14.763 1.00 0.00 C ATOM 599 O ALA A 48 -5.650 -1.638 15.402 1.00 0.00 O ATOM 600 CB ALA A 48 -7.879 -1.257 16.918 1.00 0.00 C ATOM 0 H ALA A 48 -8.780 -3.354 15.576 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.387 -0.469 14.993 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.159 -0.467 17.132 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.843 -0.998 17.356 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.526 -2.195 17.346 1.00 0.00 H new ATOM 606 N ASN A 49 -6.726 -2.152 13.491 1.00 0.00 N ATOM 607 CA ASN A 49 -5.518 -2.498 12.770 1.00 0.00 C ATOM 608 C ASN A 49 -5.827 -3.554 11.718 1.00 0.00 C ATOM 609 O ASN A 49 -5.973 -4.731 12.040 1.00 0.00 O ATOM 610 CB ASN A 49 -4.468 -3.006 13.753 1.00 0.00 C ATOM 611 CG ASN A 49 -3.503 -1.895 14.140 1.00 0.00 C ATOM 612 OD1 ASN A 49 -3.294 -0.957 13.373 1.00 0.00 O ATOM 613 ND2 ASN A 49 -2.916 -2.000 15.334 1.00 0.00 N ATOM 0 H ASN A 49 -7.583 -2.246 12.946 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.127 -1.615 12.264 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.958 -3.395 14.646 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.916 -3.833 13.306 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.261 -1.282 15.645 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.122 -2.798 15.935 1.00 0.00 H new ATOM 620 N ALA A 50 -5.925 -3.129 10.456 1.00 0.00 N ATOM 621 CA ALA A 50 -6.215 -4.037 9.364 1.00 0.00 C ATOM 622 C ALA A 50 -5.869 -3.375 8.038 1.00 0.00 C ATOM 623 O ALA A 50 -5.965 -2.157 7.906 1.00 0.00 O ATOM 624 CB ALA A 50 -7.691 -4.425 9.406 1.00 0.00 C ATOM 0 H ALA A 50 -5.806 -2.156 10.173 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.612 -4.939 9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.911 -5.108 8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.912 -4.914 10.355 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.305 -3.530 9.308 1.00 0.00 H new ATOM 630 N VAL A 51 -5.465 -4.182 7.054 1.00 0.00 N ATOM 631 CA VAL A 51 -5.106 -3.673 5.746 1.00 0.00 C ATOM 632 C VAL A 51 -4.566 -4.805 4.883 1.00 0.00 C ATOM 633 O VAL A 51 -5.068 -5.047 3.788 1.00 0.00 O ATOM 634 CB VAL A 51 -4.067 -2.566 5.899 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.764 -1.209 5.881 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.328 -2.742 7.222 1.00 0.00 C ATOM 0 H VAL A 51 -5.381 -5.194 7.148 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.988 -3.259 5.257 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.355 -2.619 5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.022 -0.418 5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.292 -1.084 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.476 -1.155 6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.586 -1.952 7.332 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.039 -2.689 8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.830 -3.712 7.235 1.00 0.00 H new ATOM 646 N ILE A 52 -3.539 -5.499 5.381 1.00 0.00 N ATOM 647 CA ILE A 52 -2.937 -6.601 4.658 1.00 0.00 C ATOM 648 C ILE A 52 -2.454 -6.121 3.296 1.00 0.00 C ATOM 649 O ILE A 52 -2.731 -4.990 2.901 1.00 0.00 O ATOM 650 CB ILE A 52 -3.956 -7.726 4.506 1.00 0.00 C ATOM 651 CG1 ILE A 52 -3.245 -9.073 4.601 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.644 -7.609 3.149 1.00 0.00 C ATOM 653 CD1 ILE A 52 -4.280 -10.185 4.750 1.00 0.00 C ATOM 0 H ILE A 52 -3.112 -5.309 6.287 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.079 -6.980 5.213 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.700 -7.651 5.299 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.641 -9.241 3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.565 -9.078 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.372 -8.413 3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.152 -6.647 3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.900 -7.684 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.773 -11.147 4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.865 -10.019 5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.942 -10.184 3.884 1.00 0.00 H new ATOM 665 N GLY A 53 -1.732 -6.983 2.577 1.00 0.00 N ATOM 666 CA GLY A 53 -1.218 -6.638 1.267 1.00 0.00 C ATOM 667 C GLY A 53 -2.364 -6.298 0.324 1.00 0.00 C ATOM 668 O GLY A 53 -2.198 -5.500 -0.596 1.00 0.00 O ATOM 0 H GLY A 53 -1.494 -7.925 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.539 -5.789 1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.641 -7.470 0.864 1.00 0.00 H new ATOM 672 N ALA A 54 -3.530 -6.906 0.556 1.00 0.00 N ATOM 673 CA ALA A 54 -4.695 -6.667 -0.271 1.00 0.00 C ATOM 674 C ALA A 54 -4.972 -5.173 -0.352 1.00 0.00 C ATOM 675 O ALA A 54 -5.029 -4.609 -1.442 1.00 0.00 O ATOM 676 CB ALA A 54 -5.893 -7.409 0.313 1.00 0.00 C ATOM 0 H ALA A 54 -3.683 -7.569 1.316 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.512 -7.037 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.770 -7.230 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.681 -8.478 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.085 -7.050 1.324 1.00 0.00 H new ATOM 682 N ASP A 55 -5.144 -4.532 0.806 1.00 0.00 N ATOM 683 CA ASP A 55 -5.414 -3.110 0.860 1.00 0.00 C ATOM 684 C ASP A 55 -4.189 -2.335 0.397 1.00 0.00 C ATOM 685 O ASP A 55 -4.303 -1.416 -0.411 1.00 0.00 O ATOM 686 CB ASP A 55 -5.796 -2.719 2.285 1.00 0.00 C ATOM 687 CG ASP A 55 -6.737 -1.523 2.287 1.00 0.00 C ATOM 688 OD1 ASP A 55 -6.811 -0.857 1.232 1.00 0.00 O ATOM 689 OD2 ASP A 55 -7.366 -1.297 3.344 1.00 0.00 O ATOM 0 H ASP A 55 -5.099 -4.986 1.718 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.244 -2.868 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.274 -3.563 2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.897 -2.481 2.854 1.00 0.00 H new ATOM 695 N VAL A 56 -3.015 -2.707 0.913 1.00 0.00 N ATOM 696 CA VAL A 56 -1.777 -2.047 0.551 1.00 0.00 C ATOM 697 C VAL A 56 -1.660 -1.967 -0.964 1.00 0.00 C ATOM 698 O VAL A 56 -1.129 -0.995 -1.497 1.00 0.00 O ATOM 699 CB VAL A 56 -0.600 -2.814 1.146 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.693 -2.049 0.879 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.800 -2.965 2.651 1.00 0.00 C ATOM 0 H VAL A 56 -2.905 -3.466 1.585 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.770 -1.033 0.950 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.540 -3.801 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.534 -2.597 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.836 -1.941 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.633 -1.062 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.041 -3.513 3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.860 -1.979 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.723 -3.512 2.842 1.00 0.00 H new ATOM 711 N VAL A 57 -2.157 -2.994 -1.658 1.00 0.00 N ATOM 712 CA VAL A 57 -2.106 -3.035 -3.105 1.00 0.00 C ATOM 713 C VAL A 57 -3.130 -2.070 -3.684 1.00 0.00 C ATOM 714 O VAL A 57 -2.766 -1.097 -4.341 1.00 0.00 O ATOM 715 CB VAL A 57 -2.375 -4.460 -3.582 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.529 -4.467 -5.101 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.208 -5.358 -3.185 1.00 0.00 C ATOM 0 H VAL A 57 -2.599 -3.807 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.117 -2.732 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.291 -4.831 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.721 -5.484 -5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.363 -3.825 -5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.613 -4.097 -5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.400 -6.376 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.292 -4.988 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.098 -5.353 -2.101 1.00 0.00 H new ATOM 727 N ASP A 58 -4.414 -2.340 -3.439 1.00 0.00 N ATOM 728 CA ASP A 58 -5.481 -1.496 -3.936 1.00 0.00 C ATOM 729 C ASP A 58 -5.101 -0.032 -3.767 1.00 0.00 C ATOM 730 O ASP A 58 -5.556 0.821 -4.526 1.00 0.00 O ATOM 731 CB ASP A 58 -6.771 -1.811 -3.184 1.00 0.00 C ATOM 732 CG ASP A 58 -7.246 -3.225 -3.487 1.00 0.00 C ATOM 733 OD1 ASP A 58 -6.595 -3.872 -4.335 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.251 -3.631 -2.865 1.00 0.00 O ATOM 0 H ASP A 58 -4.732 -3.143 -2.896 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.639 -1.690 -4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.608 -1.700 -2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.544 -1.096 -3.465 1.00 0.00 H new ATOM 740 N TRP A 59 -4.265 0.259 -2.768 1.00 0.00 N ATOM 741 CA TRP A 59 -3.831 1.618 -2.510 1.00 0.00 C ATOM 742 C TRP A 59 -2.776 2.027 -3.528 1.00 0.00 C ATOM 743 O TRP A 59 -3.035 2.862 -4.392 1.00 0.00 O ATOM 744 CB TRP A 59 -3.279 1.713 -1.091 1.00 0.00 C ATOM 745 CG TRP A 59 -3.153 3.104 -0.557 1.00 0.00 C ATOM 746 CD1 TRP A 59 -4.168 3.844 -0.060 1.00 0.00 C ATOM 747 CD2 TRP A 59 -1.961 3.942 -0.454 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.690 5.074 0.340 1.00 0.00 N ATOM 749 CE2 TRP A 59 -2.333 5.188 0.119 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.605 3.776 -0.787 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -1.411 6.214 0.349 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.328 4.799 -0.560 1.00 0.00 C ATOM 753 CH2 TRP A 59 -0.071 6.016 0.006 1.00 0.00 C ATOM 0 H TRP A 59 -3.879 -0.435 -2.128 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.678 2.298 -2.603 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.926 1.141 -0.426 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.298 1.239 -1.066 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.196 3.522 0.013 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.268 5.808 0.749 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.276 2.845 -1.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.731 7.148 0.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.364 4.646 -0.824 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.654 6.798 0.177 1.00 0.00 H new ATOM 764 N LEU A 60 -1.584 1.436 -3.424 1.00 0.00 N ATOM 765 CA LEU A 60 -0.497 1.740 -4.334 1.00 0.00 C ATOM 766 C LEU A 60 -1.046 1.979 -5.733 1.00 0.00 C ATOM 767 O LEU A 60 -0.596 2.883 -6.433 1.00 0.00 O ATOM 768 CB LEU A 60 0.502 0.587 -4.335 1.00 0.00 C ATOM 769 CG LEU A 60 1.122 0.450 -2.947 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.718 -0.946 -2.791 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.221 1.495 -2.775 1.00 0.00 C ATOM 0 H LEU A 60 -1.354 0.742 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 60 0.013 2.646 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.003 -0.341 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.280 0.767 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 60 0.353 0.603 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.161 -1.044 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.933 -1.692 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.486 -1.100 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.664 1.397 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.990 1.343 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.795 2.492 -2.886 1.00 0.00 H new ATOM 783 N TYR A 61 -2.023 1.165 -6.140 1.00 0.00 N ATOM 784 CA TYR A 61 -2.625 1.292 -7.452 1.00 0.00 C ATOM 785 C TYR A 61 -3.474 2.553 -7.511 1.00 0.00 C ATOM 786 O TYR A 61 -3.351 3.344 -8.443 1.00 0.00 O ATOM 787 CB TYR A 61 -3.471 0.056 -7.743 1.00 0.00 C ATOM 788 CG TYR A 61 -4.215 0.130 -9.055 1.00 0.00 C ATOM 789 CD1 TYR A 61 -5.419 0.840 -9.138 1.00 0.00 C ATOM 790 CD2 TYR A 61 -3.701 -0.511 -10.189 1.00 0.00 C ATOM 791 CE1 TYR A 61 -6.109 0.909 -10.354 1.00 0.00 C ATOM 792 CE2 TYR A 61 -4.391 -0.442 -11.405 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.595 0.268 -11.488 1.00 0.00 C ATOM 794 OH TYR A 61 -6.267 0.334 -12.673 1.00 0.00 O ATOM 0 H TYR A 61 -2.409 0.411 -5.571 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.844 1.369 -8.209 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.826 -0.823 -7.749 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.189 -0.082 -6.935 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.815 1.335 -8.264 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.772 -1.059 -10.125 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.038 1.457 -10.418 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.995 -0.937 -12.279 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.773 -0.164 -13.358 1.00 0.00 H new ATOM 804 N THR A 62 -4.338 2.741 -6.510 1.00 0.00 N ATOM 805 CA THR A 62 -5.199 3.906 -6.457 1.00 0.00 C ATOM 806 C THR A 62 -4.431 5.093 -5.894 1.00 0.00 C ATOM 807 O THR A 62 -5.018 6.130 -5.593 1.00 0.00 O ATOM 808 CB THR A 62 -6.420 3.595 -5.596 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.523 4.341 -6.059 1.00 0.00 O ATOM 810 CG2 THR A 62 -6.128 3.966 -4.145 1.00 0.00 C ATOM 0 H THR A 62 -4.453 2.096 -5.729 1.00 0.00 H new ATOM 0 HA THR A 62 -5.533 4.161 -7.463 1.00 0.00 H new ATOM 0 HB THR A 62 -6.648 2.531 -5.660 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.308 4.141 -5.508 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.000 3.744 -3.530 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.275 3.390 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.900 5.030 -4.080 1.00 0.00 H new ATOM 818 N HIS A 63 -3.112 4.941 -5.752 1.00 0.00 N ATOM 819 CA HIS A 63 -2.275 6.000 -5.225 1.00 0.00 C ATOM 820 C HIS A 63 -1.398 6.569 -6.331 1.00 0.00 C ATOM 821 O HIS A 63 -1.658 7.660 -6.834 1.00 0.00 O ATOM 822 CB HIS A 63 -1.420 5.452 -4.086 1.00 0.00 C ATOM 823 CG HIS A 63 -1.146 6.477 -3.020 1.00 0.00 C ATOM 824 ND1 HIS A 63 -2.092 7.182 -2.311 1.00 0.00 N ATOM 825 CD2 HIS A 63 0.087 6.877 -2.583 1.00 0.00 C ATOM 826 CE1 HIS A 63 -1.433 7.991 -1.461 1.00 0.00 C ATOM 827 NE2 HIS A 63 -0.104 7.842 -1.589 1.00 0.00 N ATOM 0 H HIS A 63 -2.608 4.089 -5.998 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.902 6.804 -4.839 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.924 4.595 -3.639 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.474 5.091 -4.489 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -3.104 7.106 -2.411 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.038 6.513 -2.942 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.909 8.669 -0.768 1.00 0.00 H new ATOM 835 N VAL A 64 -0.356 5.825 -6.711 1.00 0.00 N ATOM 836 CA VAL A 64 0.553 6.257 -7.753 1.00 0.00 C ATOM 837 C VAL A 64 0.576 5.227 -8.874 1.00 0.00 C ATOM 838 O VAL A 64 -0.239 4.307 -8.892 1.00 0.00 O ATOM 839 CB VAL A 64 1.947 6.448 -7.164 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.960 7.691 -6.280 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.318 5.225 -6.330 1.00 0.00 C ATOM 0 H VAL A 64 -0.128 4.918 -6.305 1.00 0.00 H new ATOM 0 HA VAL A 64 0.216 7.208 -8.166 1.00 0.00 H new ATOM 0 HB VAL A 64 2.669 6.570 -7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.956 7.828 -5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.695 8.564 -6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.238 7.571 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.314 5.360 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.596 5.103 -5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.309 4.337 -6.962 1.00 0.00 H new ATOM 851 N GLU A 65 1.514 5.383 -9.811 1.00 0.00 N ATOM 852 CA GLU A 65 1.637 4.466 -10.926 1.00 0.00 C ATOM 853 C GLU A 65 3.103 4.135 -11.168 1.00 0.00 C ATOM 854 O GLU A 65 3.988 4.766 -10.593 1.00 0.00 O ATOM 855 CB GLU A 65 1.012 5.092 -12.169 1.00 0.00 C ATOM 856 CG GLU A 65 1.637 6.461 -12.419 1.00 0.00 C ATOM 857 CD GLU A 65 1.873 6.688 -13.905 1.00 0.00 C ATOM 858 OE1 GLU A 65 3.051 6.592 -14.314 1.00 0.00 O ATOM 859 OE2 GLU A 65 0.872 6.953 -14.605 1.00 0.00 O ATOM 0 H GLU A 65 2.197 6.141 -9.812 1.00 0.00 H new ATOM 0 HA GLU A 65 1.111 3.539 -10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.169 4.446 -13.033 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.065 5.191 -12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.983 7.240 -12.027 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.582 6.537 -11.881 1.00 0.00 H new ATOM 867 N GLY A 66 3.360 3.143 -12.024 1.00 0.00 N ATOM 868 CA GLY A 66 4.717 2.738 -12.334 1.00 0.00 C ATOM 869 C GLY A 66 4.796 1.225 -12.482 1.00 0.00 C ATOM 870 O GLY A 66 5.788 0.698 -12.979 1.00 0.00 O ATOM 0 H GLY A 66 2.639 2.610 -12.511 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.045 3.218 -13.256 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.392 3.069 -11.544 1.00 0.00 H new ATOM 874 N PHE A 67 3.744 0.526 -12.048 1.00 0.00 N ATOM 875 CA PHE A 67 3.701 -0.919 -12.134 1.00 0.00 C ATOM 876 C PHE A 67 3.082 -1.339 -13.460 1.00 0.00 C ATOM 877 O PHE A 67 2.026 -0.839 -13.841 1.00 0.00 O ATOM 878 CB PHE A 67 2.897 -1.474 -10.962 1.00 0.00 C ATOM 879 CG PHE A 67 3.486 -1.135 -9.613 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.871 -0.989 -9.471 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.646 -0.965 -8.506 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.416 -0.673 -8.221 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.192 -0.649 -7.256 1.00 0.00 C ATOM 884 CZ PHE A 67 4.577 -0.503 -7.113 1.00 0.00 C ATOM 0 H PHE A 67 2.913 0.948 -11.634 1.00 0.00 H new ATOM 0 HA PHE A 67 4.713 -1.320 -12.085 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.880 -1.086 -11.013 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.830 -2.558 -11.058 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.519 -1.120 -10.325 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.578 -1.078 -8.616 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.484 -0.560 -8.111 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.544 -0.518 -6.402 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.998 -0.259 -6.149 1.00 0.00 H new ATOM 894 N LYS A 68 3.743 -2.262 -14.164 1.00 0.00 N ATOM 895 CA LYS A 68 3.254 -2.742 -15.441 1.00 0.00 C ATOM 896 C LYS A 68 1.747 -2.943 -15.376 1.00 0.00 C ATOM 897 O LYS A 68 1.008 -2.379 -16.181 1.00 0.00 O ATOM 898 CB LYS A 68 3.958 -4.049 -15.795 1.00 0.00 C ATOM 899 CG LYS A 68 3.182 -4.761 -16.899 1.00 0.00 C ATOM 900 CD LYS A 68 2.537 -6.024 -16.334 1.00 0.00 C ATOM 901 CE LYS A 68 1.765 -6.739 -17.439 1.00 0.00 C ATOM 902 NZ LYS A 68 0.784 -7.679 -16.874 1.00 0.00 N ATOM 0 H LYS A 68 4.620 -2.687 -13.862 1.00 0.00 H new ATOM 0 HA LYS A 68 3.469 -2.006 -16.216 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.978 -3.848 -16.124 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.027 -4.688 -14.914 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.417 -4.099 -17.305 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.850 -5.018 -17.721 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.302 -6.684 -15.925 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.866 -5.767 -15.514 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.254 -6.006 -18.063 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.460 -7.277 -18.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.843 -8.587 -17.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.988 -7.829 -15.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.173 -7.287 -16.979 1.00 0.00 H new ATOM 916 N GLU A 69 1.291 -3.749 -14.415 1.00 0.00 N ATOM 917 CA GLU A 69 -0.124 -4.017 -14.252 1.00 0.00 C ATOM 918 C GLU A 69 -0.385 -4.612 -12.876 1.00 0.00 C ATOM 919 O GLU A 69 0.531 -4.738 -12.067 1.00 0.00 O ATOM 920 CB GLU A 69 -0.590 -4.969 -15.350 1.00 0.00 C ATOM 921 CG GLU A 69 -2.053 -4.689 -15.680 1.00 0.00 C ATOM 922 CD GLU A 69 -2.289 -4.733 -17.183 1.00 0.00 C ATOM 923 OE1 GLU A 69 -1.676 -3.894 -17.878 1.00 0.00 O ATOM 924 OE2 GLU A 69 -3.077 -5.604 -17.608 1.00 0.00 O ATOM 0 H GLU A 69 1.890 -4.225 -13.740 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.684 -3.086 -14.333 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.025 -4.843 -16.241 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.471 -6.002 -15.025 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.688 -5.424 -15.186 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.337 -3.711 -15.292 1.00 0.00 H new ATOM 932 N ARG A 70 -1.642 -4.979 -12.612 1.00 0.00 N ATOM 933 CA ARG A 70 -2.018 -5.557 -11.338 1.00 0.00 C ATOM 934 C ARG A 70 -0.952 -6.545 -10.885 1.00 0.00 C ATOM 935 O ARG A 70 -0.739 -6.726 -9.688 1.00 0.00 O ATOM 936 CB ARG A 70 -3.372 -6.248 -11.474 1.00 0.00 C ATOM 937 CG ARG A 70 -3.987 -6.439 -10.091 1.00 0.00 C ATOM 938 CD ARG A 70 -5.356 -5.767 -10.046 1.00 0.00 C ATOM 939 NE ARG A 70 -6.412 -6.697 -10.448 1.00 0.00 N ATOM 940 CZ ARG A 70 -7.675 -6.310 -10.668 1.00 0.00 C ATOM 941 NH1 ARG A 70 -8.016 -5.022 -10.524 1.00 0.00 N ATOM 942 NH2 ARG A 70 -8.598 -7.210 -11.034 1.00 0.00 N ATOM 0 H ARG A 70 -2.413 -4.882 -13.273 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.099 -4.771 -10.587 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.036 -5.651 -12.099 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.252 -7.213 -11.967 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.084 -7.502 -9.868 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.335 -6.012 -9.329 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.553 -5.402 -9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.361 -4.899 -10.706 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.176 -7.682 -10.566 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.314 -4.336 -10.247 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.978 -4.727 -10.692 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.339 -8.190 -11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.560 -6.915 -11.201 1.00 0.00 H new ATOM 956 N ARG A 71 -0.281 -7.183 -11.846 1.00 0.00 N ATOM 957 CA ARG A 71 0.757 -8.148 -11.542 1.00 0.00 C ATOM 958 C ARG A 71 1.903 -7.460 -10.814 1.00 0.00 C ATOM 959 O ARG A 71 2.123 -7.702 -9.630 1.00 0.00 O ATOM 960 CB ARG A 71 1.248 -8.790 -12.837 1.00 0.00 C ATOM 961 CG ARG A 71 1.500 -10.277 -12.603 1.00 0.00 C ATOM 962 CD ARG A 71 0.761 -11.091 -13.661 1.00 0.00 C ATOM 963 NE ARG A 71 1.681 -11.967 -14.387 1.00 0.00 N ATOM 964 CZ ARG A 71 2.418 -11.546 -15.424 1.00 0.00 C ATOM 965 NH1 ARG A 71 2.330 -10.274 -15.836 1.00 0.00 N ATOM 966 NH2 ARG A 71 3.242 -12.397 -16.050 1.00 0.00 N ATOM 0 H ARG A 71 -0.445 -7.042 -12.843 1.00 0.00 H new ATOM 0 HA ARG A 71 0.356 -8.927 -10.894 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.508 -8.655 -13.626 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.164 -8.303 -13.173 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.569 -10.487 -12.648 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.161 -10.562 -11.607 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.018 -11.689 -13.187 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.265 -10.419 -14.361 1.00 0.00 H new ATOM 0 HE ARG A 71 1.765 -12.940 -14.091 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.702 -9.626 -15.360 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.891 -9.954 -16.625 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.308 -13.366 -15.737 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.803 -12.076 -16.839 1.00 0.00 H new ATOM 980 N GLU A 72 2.634 -6.599 -11.526 1.00 0.00 N ATOM 981 CA GLU A 72 3.750 -5.882 -10.942 1.00 0.00 C ATOM 982 C GLU A 72 3.331 -5.258 -9.618 1.00 0.00 C ATOM 983 O GLU A 72 4.110 -5.230 -8.668 1.00 0.00 O ATOM 984 CB GLU A 72 4.231 -4.811 -11.917 1.00 0.00 C ATOM 985 CG GLU A 72 5.189 -5.435 -12.927 1.00 0.00 C ATOM 986 CD GLU A 72 6.021 -4.365 -13.620 1.00 0.00 C ATOM 987 OE1 GLU A 72 6.025 -3.227 -13.103 1.00 0.00 O ATOM 988 OE2 GLU A 72 6.637 -4.706 -14.652 1.00 0.00 O ATOM 0 H GLU A 72 2.466 -6.387 -12.509 1.00 0.00 H new ATOM 0 HA GLU A 72 4.569 -6.574 -10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.380 -4.366 -12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.730 -4.008 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.847 -6.142 -12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.624 -6.000 -13.669 1.00 0.00 H new ATOM 996 N ALA A 73 2.095 -4.757 -9.558 1.00 0.00 N ATOM 997 CA ALA A 73 1.579 -4.137 -8.355 1.00 0.00 C ATOM 998 C ALA A 73 1.671 -5.114 -7.191 1.00 0.00 C ATOM 999 O ALA A 73 2.233 -4.789 -6.148 1.00 0.00 O ATOM 1000 CB ALA A 73 0.134 -3.705 -8.586 1.00 0.00 C ATOM 0 H ALA A 73 1.437 -4.773 -10.337 1.00 0.00 H new ATOM 0 HA ALA A 73 2.173 -3.256 -8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.255 -3.238 -7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.095 -2.991 -9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.471 -4.577 -8.834 1.00 0.00 H new ATOM 1006 N ARG A 74 1.116 -6.315 -7.373 1.00 0.00 N ATOM 1007 CA ARG A 74 1.137 -7.331 -6.340 1.00 0.00 C ATOM 1008 C ARG A 74 2.575 -7.713 -6.021 1.00 0.00 C ATOM 1009 O ARG A 74 2.879 -8.109 -4.898 1.00 0.00 O ATOM 1010 CB ARG A 74 0.346 -8.548 -6.810 1.00 0.00 C ATOM 1011 CG ARG A 74 0.276 -9.575 -5.683 1.00 0.00 C ATOM 1012 CD ARG A 74 -1.147 -10.116 -5.575 1.00 0.00 C ATOM 1013 NE ARG A 74 -1.242 -11.462 -6.139 1.00 0.00 N ATOM 1014 CZ ARG A 74 -1.393 -11.690 -7.451 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -1.462 -10.661 -8.306 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -1.475 -12.947 -7.908 1.00 0.00 N ATOM 0 H ARG A 74 0.647 -6.600 -8.233 1.00 0.00 H new ATOM 0 HA ARG A 74 0.676 -6.942 -5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.659 -8.249 -7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.821 -8.987 -7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.973 -10.391 -5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.575 -9.117 -4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.454 -10.134 -4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.833 -9.450 -6.098 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.191 -12.261 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.400 -9.704 -7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.577 -10.834 -9.305 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.423 -13.731 -7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.590 -13.120 -8.907 1.00 0.00 H new ATOM 1030 N LYS A 75 3.461 -7.592 -7.012 1.00 0.00 N ATOM 1031 CA LYS A 75 4.860 -7.925 -6.830 1.00 0.00 C ATOM 1032 C LYS A 75 5.504 -6.943 -5.862 1.00 0.00 C ATOM 1033 O LYS A 75 6.296 -7.338 -5.009 1.00 0.00 O ATOM 1034 CB LYS A 75 5.569 -7.894 -8.181 1.00 0.00 C ATOM 1035 CG LYS A 75 5.555 -9.292 -8.794 1.00 0.00 C ATOM 1036 CD LYS A 75 6.031 -9.218 -10.242 1.00 0.00 C ATOM 1037 CE LYS A 75 6.644 -10.557 -10.645 1.00 0.00 C ATOM 1038 NZ LYS A 75 5.607 -11.494 -11.104 1.00 0.00 N ATOM 0 H LYS A 75 3.225 -7.264 -7.949 1.00 0.00 H new ATOM 0 HA LYS A 75 4.947 -8.927 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.074 -7.188 -8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.596 -7.550 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.201 -9.958 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.549 -9.709 -8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.195 -8.976 -10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.766 -8.421 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.376 -10.402 -11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.178 -10.987 -9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.049 -12.397 -11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.923 -11.657 -10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.115 -11.091 -11.927 1.00 0.00 H new ATOM 1052 N TYR A 76 5.162 -5.659 -5.995 1.00 0.00 N ATOM 1053 CA TYR A 76 5.709 -4.631 -5.133 1.00 0.00 C ATOM 1054 C TYR A 76 5.205 -4.827 -3.711 1.00 0.00 C ATOM 1055 O TYR A 76 5.995 -4.867 -2.770 1.00 0.00 O ATOM 1056 CB TYR A 76 5.308 -3.258 -5.665 1.00 0.00 C ATOM 1057 CG TYR A 76 5.880 -2.111 -4.866 1.00 0.00 C ATOM 1058 CD1 TYR A 76 5.173 -1.599 -3.772 1.00 0.00 C ATOM 1059 CD2 TYR A 76 7.118 -1.561 -5.219 1.00 0.00 C ATOM 1060 CE1 TYR A 76 5.703 -0.536 -3.031 1.00 0.00 C ATOM 1061 CE2 TYR A 76 7.648 -0.498 -4.479 1.00 0.00 C ATOM 1062 CZ TYR A 76 6.941 0.015 -3.385 1.00 0.00 C ATOM 1063 OH TYR A 76 7.457 1.051 -2.664 1.00 0.00 O ATOM 0 H TYR A 76 4.506 -5.315 -6.696 1.00 0.00 H new ATOM 0 HA TYR A 76 6.797 -4.700 -5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.636 -3.168 -6.700 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.221 -3.182 -5.668 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.218 -2.024 -3.499 1.00 0.00 H new ATOM 0 HD2 TYR A 76 7.664 -1.957 -6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.157 -0.141 -2.187 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.603 -0.073 -4.752 1.00 0.00 H new ATOM 0 HH TYR A 76 8.322 1.313 -3.042 1.00 0.00 H new ATOM 1073 N ALA A 77 3.884 -4.948 -3.555 1.00 0.00 N ATOM 1074 CA ALA A 77 3.283 -5.138 -2.251 1.00 0.00 C ATOM 1075 C ALA A 77 3.959 -6.298 -1.535 1.00 0.00 C ATOM 1076 O ALA A 77 4.338 -6.177 -0.372 1.00 0.00 O ATOM 1077 CB ALA A 77 1.788 -5.400 -2.414 1.00 0.00 C ATOM 0 H ALA A 77 3.216 -4.916 -4.325 1.00 0.00 H new ATOM 0 HA ALA A 77 3.418 -4.239 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.335 -5.543 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.321 -4.548 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.639 -6.296 -3.017 1.00 0.00 H new ATOM 1083 N SER A 78 4.109 -7.426 -2.233 1.00 0.00 N ATOM 1084 CA SER A 78 4.739 -8.600 -1.661 1.00 0.00 C ATOM 1085 C SER A 78 6.152 -8.260 -1.210 1.00 0.00 C ATOM 1086 O SER A 78 6.536 -8.560 -0.081 1.00 0.00 O ATOM 1087 CB SER A 78 4.756 -9.722 -2.695 1.00 0.00 C ATOM 1088 OG SER A 78 3.479 -9.841 -3.280 1.00 0.00 O ATOM 0 H SER A 78 3.799 -7.543 -3.198 1.00 0.00 H new ATOM 0 HA SER A 78 4.173 -8.934 -0.792 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.501 -9.513 -3.462 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.040 -10.662 -2.223 1.00 0.00 H new ATOM 0 HG SER A 78 2.792 -9.737 -2.589 1.00 0.00 H new ATOM 1094 N SER A 79 6.928 -7.630 -2.096 1.00 0.00 N ATOM 1095 CA SER A 79 8.291 -7.252 -1.784 1.00 0.00 C ATOM 1096 C SER A 79 8.303 -6.281 -0.612 1.00 0.00 C ATOM 1097 O SER A 79 9.281 -6.210 0.129 1.00 0.00 O ATOM 1098 CB SER A 79 8.937 -6.621 -3.014 1.00 0.00 C ATOM 1099 OG SER A 79 9.880 -7.516 -3.560 1.00 0.00 O ATOM 0 H SER A 79 6.626 -7.374 -3.036 1.00 0.00 H new ATOM 0 HA SER A 79 8.862 -8.137 -1.502 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.175 -6.381 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.423 -5.684 -2.742 1.00 0.00 H new ATOM 0 HG SER A 79 10.294 -7.112 -4.351 1.00 0.00 H new ATOM 1105 N MET A 80 7.211 -5.532 -0.444 1.00 0.00 N ATOM 1106 CA MET A 80 7.104 -4.571 0.636 1.00 0.00 C ATOM 1107 C MET A 80 6.950 -5.299 1.964 1.00 0.00 C ATOM 1108 O MET A 80 7.572 -4.925 2.956 1.00 0.00 O ATOM 1109 CB MET A 80 5.911 -3.653 0.382 1.00 0.00 C ATOM 1110 CG MET A 80 6.367 -2.198 0.444 1.00 0.00 C ATOM 1111 SD MET A 80 5.008 -1.002 0.473 1.00 0.00 S ATOM 1112 CE MET A 80 4.136 -1.591 1.946 1.00 0.00 C ATOM 0 H MET A 80 6.391 -5.579 -1.048 1.00 0.00 H new ATOM 0 HA MET A 80 8.010 -3.966 0.680 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.475 -3.867 -0.594 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.134 -3.834 1.125 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.980 -2.058 1.334 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.002 -1.990 -0.417 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.621 -0.756 2.422 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.408 -2.350 1.659 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.853 -2.022 2.645 1.00 0.00 H new ATOM 1122 N LEU A 81 6.116 -6.342 1.981 1.00 0.00 N ATOM 1123 CA LEU A 81 5.884 -7.116 3.183 1.00 0.00 C ATOM 1124 C LEU A 81 7.175 -7.799 3.615 1.00 0.00 C ATOM 1125 O LEU A 81 7.586 -7.683 4.767 1.00 0.00 O ATOM 1126 CB LEU A 81 4.789 -8.146 2.921 1.00 0.00 C ATOM 1127 CG LEU A 81 4.820 -9.210 4.015 1.00 0.00 C ATOM 1128 CD1 LEU A 81 5.881 -10.254 3.680 1.00 0.00 C ATOM 1129 CD2 LEU A 81 5.153 -8.555 5.352 1.00 0.00 C ATOM 0 H LEU A 81 5.592 -6.664 1.167 1.00 0.00 H new ATOM 0 HA LEU A 81 5.559 -6.456 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.814 -7.659 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.936 -8.608 1.945 1.00 0.00 H new ATOM 0 HG LEU A 81 3.845 -9.693 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.903 -11.014 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.642 -10.722 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.857 -9.773 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.175 -9.314 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.128 -8.072 5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.394 -7.810 5.591 1.00 0.00 H new ATOM 1141 N LYS A 82 7.814 -8.513 2.685 1.00 0.00 N ATOM 1142 CA LYS A 82 9.052 -9.208 2.974 1.00 0.00 C ATOM 1143 C LYS A 82 9.999 -8.287 3.730 1.00 0.00 C ATOM 1144 O LYS A 82 10.456 -8.622 4.821 1.00 0.00 O ATOM 1145 CB LYS A 82 9.685 -9.682 1.669 1.00 0.00 C ATOM 1146 CG LYS A 82 9.489 -11.188 1.526 1.00 0.00 C ATOM 1147 CD LYS A 82 8.031 -11.541 1.806 1.00 0.00 C ATOM 1148 CE LYS A 82 7.966 -12.615 2.888 1.00 0.00 C ATOM 1149 NZ LYS A 82 8.486 -13.898 2.390 1.00 0.00 N ATOM 0 H LYS A 82 7.486 -8.620 1.725 1.00 0.00 H new ATOM 0 HA LYS A 82 8.847 -10.077 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.232 -9.164 0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.748 -9.440 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.765 -11.507 0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.142 -11.718 2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.486 -10.653 2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.551 -11.898 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.543 -12.297 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.935 -12.740 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.262 -14.651 3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.047 -14.118 1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.517 -13.833 2.273 1.00 0.00 H new ATOM 1163 N HIS A 83 10.294 -7.123 3.148 1.00 0.00 N ATOM 1164 CA HIS A 83 11.186 -6.164 3.771 1.00 0.00 C ATOM 1165 C HIS A 83 10.919 -6.102 5.268 1.00 0.00 C ATOM 1166 O HIS A 83 11.824 -5.824 6.051 1.00 0.00 O ATOM 1167 CB HIS A 83 10.987 -4.794 3.129 1.00 0.00 C ATOM 1168 CG HIS A 83 12.285 -4.142 2.738 1.00 0.00 C ATOM 1169 ND1 HIS A 83 12.927 -4.273 1.528 1.00 0.00 N ATOM 1170 CD2 HIS A 83 13.039 -3.312 3.523 1.00 0.00 C ATOM 1171 CE1 HIS A 83 14.048 -3.532 1.589 1.00 0.00 C ATOM 1172 NE2 HIS A 83 14.161 -2.928 2.784 1.00 0.00 N ATOM 0 H HIS A 83 9.924 -6.828 2.244 1.00 0.00 H new ATOM 0 HA HIS A 83 12.220 -6.475 3.621 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.357 -4.899 2.245 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.454 -4.145 3.824 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.808 -3.008 4.533 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.762 -3.435 0.785 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.915 -2.313 3.090 1.00 0.00 H new ATOM 1180 N GLY A 84 9.671 -6.362 5.665 1.00 0.00 N ATOM 1181 CA GLY A 84 9.297 -6.333 7.065 1.00 0.00 C ATOM 1182 C GLY A 84 8.444 -5.106 7.357 1.00 0.00 C ATOM 1183 O GLY A 84 8.337 -4.680 8.505 1.00 0.00 O ATOM 0 H GLY A 84 8.908 -6.594 5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.745 -7.238 7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.192 -6.319 7.688 1.00 0.00 H new ATOM 1187 N PHE A 85 7.835 -4.538 6.314 1.00 0.00 N ATOM 1188 CA PHE A 85 6.997 -3.366 6.465 1.00 0.00 C ATOM 1189 C PHE A 85 5.563 -3.789 6.751 1.00 0.00 C ATOM 1190 O PHE A 85 4.675 -2.947 6.859 1.00 0.00 O ATOM 1191 CB PHE A 85 7.069 -2.523 5.195 1.00 0.00 C ATOM 1192 CG PHE A 85 8.415 -1.871 4.980 1.00 0.00 C ATOM 1193 CD1 PHE A 85 8.968 -1.061 5.979 1.00 0.00 C ATOM 1194 CD2 PHE A 85 9.110 -2.079 3.783 1.00 0.00 C ATOM 1195 CE1 PHE A 85 10.216 -0.459 5.780 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.358 -1.478 3.584 1.00 0.00 C ATOM 1197 CZ PHE A 85 10.911 -0.667 4.583 1.00 0.00 C ATOM 0 H PHE A 85 7.912 -4.879 5.356 1.00 0.00 H new ATOM 0 HA PHE A 85 7.352 -2.767 7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.838 -3.153 4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.302 -1.750 5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.432 -0.901 6.903 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.683 -2.704 3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.643 0.166 6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.894 -1.639 2.661 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.874 -0.202 4.430 1.00 0.00 H new ATOM 1207 N LEU A 86 5.339 -5.100 6.873 1.00 0.00 N ATOM 1208 CA LEU A 86 4.017 -5.628 7.145 1.00 0.00 C ATOM 1209 C LEU A 86 4.120 -6.813 8.094 1.00 0.00 C ATOM 1210 O LEU A 86 5.090 -7.567 8.048 1.00 0.00 O ATOM 1211 CB LEU A 86 3.356 -6.042 5.833 1.00 0.00 C ATOM 1212 CG LEU A 86 2.210 -5.085 5.517 1.00 0.00 C ATOM 1213 CD1 LEU A 86 1.896 -5.142 4.025 1.00 0.00 C ATOM 1214 CD2 LEU A 86 0.973 -5.492 6.313 1.00 0.00 C ATOM 0 H LEU A 86 6.065 -5.811 6.786 1.00 0.00 H new ATOM 0 HA LEU A 86 3.405 -4.861 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.088 -6.030 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.981 -7.063 5.908 1.00 0.00 H new ATOM 0 HG LEU A 86 2.499 -4.070 5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.077 -4.459 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.779 -4.851 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.607 -6.157 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.154 -4.809 6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.684 -6.507 6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.197 -5.451 7.379 1.00 0.00 H new ATOM 1226 N ARG A 87 3.115 -6.977 8.958 1.00 0.00 N ATOM 1227 CA ARG A 87 3.096 -8.066 9.913 1.00 0.00 C ATOM 1228 C ARG A 87 1.875 -8.942 9.672 1.00 0.00 C ATOM 1229 O ARG A 87 0.757 -8.441 9.582 1.00 0.00 O ATOM 1230 CB ARG A 87 3.084 -7.499 11.330 1.00 0.00 C ATOM 1231 CG ARG A 87 4.223 -8.116 12.135 1.00 0.00 C ATOM 1232 CD ARG A 87 5.463 -7.233 12.022 1.00 0.00 C ATOM 1233 NE ARG A 87 6.612 -7.854 12.682 1.00 0.00 N ATOM 1234 CZ ARG A 87 6.762 -7.870 14.013 1.00 0.00 C ATOM 1235 NH1 ARG A 87 5.837 -7.302 14.799 1.00 0.00 N ATOM 1236 NH2 ARG A 87 7.838 -8.453 14.559 1.00 0.00 N ATOM 0 H ARG A 87 2.304 -6.361 9.008 1.00 0.00 H new ATOM 0 HA ARG A 87 3.989 -8.679 9.789 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.192 -6.415 11.300 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.129 -7.711 11.810 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.930 -8.218 13.180 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.442 -9.118 11.766 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.694 -7.057 10.971 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.263 -6.260 12.471 1.00 0.00 H new ATOM 0 HE ARG A 87 7.329 -8.293 12.104 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.018 -6.857 14.384 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.952 -7.314 15.812 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.543 -8.885 13.961 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.952 -8.465 15.573 1.00 0.00 H new ATOM 1250 N HIS A 88 2.090 -10.256 9.569 1.00 0.00 N ATOM 1251 CA HIS A 88 1.006 -11.190 9.339 1.00 0.00 C ATOM 1252 C HIS A 88 0.800 -12.061 10.570 1.00 0.00 C ATOM 1253 O HIS A 88 1.305 -11.748 11.646 1.00 0.00 O ATOM 1254 CB HIS A 88 1.327 -12.047 8.118 1.00 0.00 C ATOM 1255 CG HIS A 88 1.499 -11.232 6.865 1.00 0.00 C ATOM 1256 ND1 HIS A 88 1.348 -9.869 6.757 1.00 0.00 N ATOM 1257 CD2 HIS A 88 1.835 -11.714 5.629 1.00 0.00 C ATOM 1258 CE1 HIS A 88 1.590 -9.540 5.475 1.00 0.00 C ATOM 1259 NE2 HIS A 88 1.891 -10.630 4.749 1.00 0.00 N ATOM 0 H HIS A 88 3.010 -10.689 9.643 1.00 0.00 H new ATOM 0 HA HIS A 88 0.083 -10.641 9.151 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.239 -12.613 8.306 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.527 -12.772 7.968 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.099 -9.227 7.509 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.023 -12.748 5.378 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.548 -8.535 5.082 1.00 0.00 H new ATOM 1267 N THR A 89 0.054 -13.156 10.410 1.00 0.00 N ATOM 1268 CA THR A 89 -0.212 -14.063 11.509 1.00 0.00 C ATOM 1269 C THR A 89 0.329 -15.447 11.181 1.00 0.00 C ATOM 1270 O THR A 89 -0.096 -16.438 11.771 1.00 0.00 O ATOM 1271 CB THR A 89 -1.715 -14.118 11.769 1.00 0.00 C ATOM 1272 OG1 THR A 89 -2.409 -13.939 10.555 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.103 -13.010 12.745 1.00 0.00 C ATOM 0 H THR A 89 -0.374 -13.429 9.525 1.00 0.00 H new ATOM 0 HA THR A 89 0.287 -13.705 12.409 1.00 0.00 H new ATOM 0 HB THR A 89 -1.975 -15.087 12.196 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.197 -13.057 10.184 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.176 -13.049 12.931 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.567 -13.148 13.684 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.843 -12.041 12.318 1.00 0.00 H new ATOM 1281 N VAL A 90 1.271 -15.513 10.237 1.00 0.00 N ATOM 1282 CA VAL A 90 1.865 -16.772 9.836 1.00 0.00 C ATOM 1283 C VAL A 90 3.158 -16.999 10.606 1.00 0.00 C ATOM 1284 O VAL A 90 3.554 -16.165 11.418 1.00 0.00 O ATOM 1285 CB VAL A 90 2.127 -16.754 8.333 1.00 0.00 C ATOM 1286 CG1 VAL A 90 0.902 -16.203 7.609 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.334 -15.867 8.038 1.00 0.00 C ATOM 0 H VAL A 90 1.634 -14.700 9.739 1.00 0.00 H new ATOM 0 HA VAL A 90 1.181 -17.590 10.062 1.00 0.00 H new ATOM 0 HB VAL A 90 2.327 -17.768 7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.089 -16.190 6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.040 -16.836 7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.701 -15.189 7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.522 -15.854 6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.134 -14.853 8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.209 -16.260 8.555 1.00 0.00 H new ATOM 1297 N ASN A 91 3.817 -18.132 10.351 1.00 0.00 N ATOM 1298 CA ASN A 91 5.060 -18.460 11.020 1.00 0.00 C ATOM 1299 C ASN A 91 5.955 -17.230 11.083 1.00 0.00 C ATOM 1300 O ASN A 91 6.506 -16.914 12.135 1.00 0.00 O ATOM 1301 CB ASN A 91 5.753 -19.596 10.273 1.00 0.00 C ATOM 1302 CG ASN A 91 5.976 -20.791 11.189 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.173 -21.049 12.082 1.00 0.00 O ATOM 1304 ND2 ASN A 91 7.070 -21.523 10.963 1.00 0.00 N ATOM 0 H ASN A 91 3.502 -18.834 9.682 1.00 0.00 H new ATOM 0 HA ASN A 91 4.853 -18.785 12.040 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.148 -19.896 9.417 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.709 -19.249 9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.268 -22.337 11.545 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.707 -21.268 10.208 1.00 0.00 H new ATOM 1311 N LYS A 92 6.098 -16.536 9.952 1.00 0.00 N ATOM 1312 CA LYS A 92 6.924 -15.347 9.886 1.00 0.00 C ATOM 1313 C LYS A 92 6.139 -14.206 9.255 1.00 0.00 C ATOM 1314 O LYS A 92 5.564 -13.380 9.961 1.00 0.00 O ATOM 1315 CB LYS A 92 8.184 -15.648 9.078 1.00 0.00 C ATOM 1316 CG LYS A 92 8.965 -16.770 9.755 1.00 0.00 C ATOM 1317 CD LYS A 92 10.429 -16.361 9.891 1.00 0.00 C ATOM 1318 CE LYS A 92 11.122 -17.276 10.897 1.00 0.00 C ATOM 1319 NZ LYS A 92 12.577 -17.059 10.893 1.00 0.00 N ATOM 0 H LYS A 92 5.648 -16.785 9.071 1.00 0.00 H new ATOM 0 HA LYS A 92 7.216 -15.047 10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.917 -15.938 8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.803 -14.754 9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.542 -16.980 10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.885 -17.687 9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.927 -16.424 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.499 -15.324 10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.726 -17.091 11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.905 -18.317 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.024 -17.693 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.955 -17.259 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.781 -16.071 11.146 1.00 0.00 H new ATOM 1333 N ILE A 93 6.117 -14.161 7.921 1.00 0.00 N ATOM 1334 CA ILE A 93 5.404 -13.126 7.200 1.00 0.00 C ATOM 1335 C ILE A 93 4.861 -13.688 5.894 1.00 0.00 C ATOM 1336 O ILE A 93 3.656 -13.652 5.655 1.00 0.00 O ATOM 1337 CB ILE A 93 6.343 -11.952 6.936 1.00 0.00 C ATOM 1338 CG1 ILE A 93 7.780 -12.458 6.853 1.00 0.00 C ATOM 1339 CG2 ILE A 93 6.225 -10.941 8.073 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.591 -11.538 5.945 1.00 0.00 C ATOM 0 H ILE A 93 6.591 -14.838 7.323 1.00 0.00 H new ATOM 0 HA ILE A 93 4.563 -12.774 7.798 1.00 0.00 H new ATOM 0 HB ILE A 93 6.071 -11.474 5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.224 -12.489 7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.797 -13.476 6.465 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.895 -10.102 7.885 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.199 -10.579 8.133 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.497 -11.419 9.014 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.618 -11.899 5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.150 -11.530 4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.585 -10.527 6.352 1.00 0.00 H new ATOM 1352 N THR A 94 5.753 -14.208 5.048 1.00 0.00 N ATOM 1353 CA THR A 94 5.354 -14.774 3.775 1.00 0.00 C ATOM 1354 C THR A 94 4.100 -14.077 3.268 1.00 0.00 C ATOM 1355 O THR A 94 2.986 -14.509 3.556 1.00 0.00 O ATOM 1356 CB THR A 94 5.112 -16.272 3.939 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.887 -16.479 4.606 1.00 0.00 O ATOM 1358 CG2 THR A 94 6.246 -16.885 4.755 1.00 0.00 C ATOM 0 H THR A 94 6.756 -14.245 5.230 1.00 0.00 H new ATOM 0 HA THR A 94 6.148 -14.625 3.043 1.00 0.00 H new ATOM 0 HB THR A 94 5.076 -16.744 2.957 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.165 -16.044 4.106 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.073 -17.955 4.872 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.193 -16.725 4.240 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.283 -16.414 5.737 1.00 0.00 H new ATOM 1366 N PHE A 95 4.284 -12.994 2.508 1.00 0.00 N ATOM 1367 CA PHE A 95 3.168 -12.246 1.965 1.00 0.00 C ATOM 1368 C PHE A 95 2.080 -13.204 1.501 1.00 0.00 C ATOM 1369 O PHE A 95 2.353 -14.370 1.227 1.00 0.00 O ATOM 1370 CB PHE A 95 3.655 -11.377 0.809 1.00 0.00 C ATOM 1371 CG PHE A 95 2.651 -10.337 0.372 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.416 -9.212 1.171 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.953 -10.499 -0.831 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.484 -8.249 0.767 1.00 0.00 C ATOM 1375 CE2 PHE A 95 1.021 -9.536 -1.235 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.787 -8.411 -0.436 1.00 0.00 C ATOM 0 H PHE A 95 5.201 -12.622 2.260 1.00 0.00 H new ATOM 0 HA PHE A 95 2.748 -11.600 2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.578 -10.878 1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.896 -12.017 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.954 -9.087 2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.134 -11.367 -1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.303 -7.381 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.483 -9.661 -2.163 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.068 -7.668 -0.748 1.00 0.00 H new ATOM 1386 N SER A 96 0.844 -12.708 1.412 1.00 0.00 N ATOM 1387 CA SER A 96 -0.275 -13.520 0.980 1.00 0.00 C ATOM 1388 C SER A 96 -1.293 -12.653 0.252 1.00 0.00 C ATOM 1389 O SER A 96 -1.440 -12.753 -0.964 1.00 0.00 O ATOM 1390 CB SER A 96 -0.910 -14.196 2.192 1.00 0.00 C ATOM 1391 OG SER A 96 -0.381 -15.496 2.335 1.00 0.00 O ATOM 0 H SER A 96 0.601 -11.743 1.636 1.00 0.00 H new ATOM 0 HA SER A 96 0.075 -14.290 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.716 -13.612 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.992 -14.243 2.070 1.00 0.00 H new ATOM 0 HG SER A 96 0.555 -15.502 2.046 1.00 0.00 H new ATOM 1397 N GLU A 97 -1.996 -11.799 0.999 1.00 0.00 N ATOM 1398 CA GLU A 97 -2.992 -10.921 0.419 1.00 0.00 C ATOM 1399 C GLU A 97 -4.333 -11.637 0.339 1.00 0.00 C ATOM 1400 O GLU A 97 -5.037 -11.531 -0.662 1.00 0.00 O ATOM 1401 CB GLU A 97 -2.532 -10.477 -0.966 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.238 -9.179 -1.345 1.00 0.00 C ATOM 1403 CD GLU A 97 -4.139 -9.383 -2.555 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -4.573 -10.539 -2.750 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -4.377 -8.380 -3.261 1.00 0.00 O ATOM 0 H GLU A 97 -1.887 -11.703 2.009 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.113 -10.039 1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.452 -10.331 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.754 -11.252 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.830 -8.823 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.498 -8.409 -1.563 1.00 0.00 H new ATOM 1413 N GLN A 98 -4.685 -12.367 1.400 1.00 0.00 N ATOM 1414 CA GLN A 98 -5.937 -13.096 1.444 1.00 0.00 C ATOM 1415 C GLN A 98 -6.674 -12.778 2.737 1.00 0.00 C ATOM 1416 O GLN A 98 -7.705 -12.109 2.717 1.00 0.00 O ATOM 1417 CB GLN A 98 -5.656 -14.592 1.335 1.00 0.00 C ATOM 1418 CG GLN A 98 -6.486 -15.185 0.200 1.00 0.00 C ATOM 1419 CD GLN A 98 -6.232 -16.679 0.065 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -5.191 -17.175 0.490 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -7.188 -17.398 -0.529 1.00 0.00 N ATOM 0 H GLN A 98 -4.113 -12.464 2.239 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.568 -12.796 0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.595 -14.761 1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.899 -15.088 2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.545 -15.008 0.387 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.240 -14.684 -0.736 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.035 -16.941 -0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.071 -18.404 -0.646 1.00 0.00 H new ATOM 1430 N CYS A 99 -6.142 -13.260 3.862 1.00 0.00 N ATOM 1431 CA CYS A 99 -6.745 -13.027 5.159 1.00 0.00 C ATOM 1432 C CYS A 99 -6.696 -11.541 5.485 1.00 0.00 C ATOM 1433 O CYS A 99 -7.053 -10.711 4.653 1.00 0.00 O ATOM 1434 CB CYS A 99 -6.005 -13.840 6.218 1.00 0.00 C ATOM 1435 SG CYS A 99 -5.978 -15.575 5.704 1.00 0.00 S ATOM 0 H CYS A 99 -5.288 -13.817 3.892 1.00 0.00 H new ATOM 0 HA CYS A 99 -7.788 -13.343 5.145 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.988 -13.466 6.339 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -6.499 -13.740 7.185 1.00 0.00 H new ATOM 0 HG CYS A 99 -5.348 -16.282 6.595 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.252 -11.207 6.699 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.162 -9.825 7.124 1.00 0.00 C ATOM 1443 C TYR A 100 -4.931 -9.633 7.999 1.00 0.00 C ATOM 1444 O TYR A 100 -4.724 -10.379 8.954 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.430 -9.444 7.884 1.00 0.00 C ATOM 1446 CG TYR A 100 -8.520 -8.892 6.997 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -9.318 -9.761 6.244 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -8.733 -7.510 6.928 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -10.329 -9.249 5.422 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -9.744 -6.997 6.106 1.00 0.00 C ATOM 1451 CZ TYR A 100 -10.542 -7.867 5.353 1.00 0.00 C ATOM 1452 OH TYR A 100 -11.526 -7.367 4.552 1.00 0.00 O ATOM 0 H TYR A 100 -5.950 -11.883 7.400 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.068 -9.178 6.252 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.808 -10.322 8.407 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.180 -8.703 8.643 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.154 -10.827 6.297 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.117 -6.839 7.509 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -10.945 -9.920 4.841 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -9.908 -5.931 6.053 1.00 0.00 H new ATOM 0 HH TYR A 100 -12.397 -7.690 4.864 1.00 0.00 H new ATOM 1462 N TYR A 101 -4.114 -8.630 7.672 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.910 -8.349 8.428 1.00 0.00 C ATOM 1464 C TYR A 101 -2.856 -6.869 8.780 1.00 0.00 C ATOM 1465 O TYR A 101 -3.794 -6.127 8.498 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.690 -8.755 7.607 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.590 -10.243 7.371 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -2.084 -11.138 8.328 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -1.003 -10.728 6.196 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -1.992 -12.517 8.109 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -0.911 -12.108 5.977 1.00 0.00 C ATOM 1472 CZ TYR A 101 -1.405 -13.002 6.934 1.00 0.00 C ATOM 1473 OH TYR A 101 -1.316 -14.347 6.721 1.00 0.00 O ATOM 0 H TYR A 101 -4.272 -8.001 6.884 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.915 -8.922 9.355 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.723 -8.244 6.645 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.789 -8.415 8.117 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.536 -10.764 9.235 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.621 -10.038 5.458 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.374 -13.207 8.847 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.459 -12.482 5.070 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.883 -14.514 5.858 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.752 -6.441 9.398 1.00 0.00 N ATOM 1484 CA VAL A 102 -1.581 -5.055 9.785 1.00 0.00 C ATOM 1485 C VAL A 102 -0.102 -4.697 9.773 1.00 0.00 C ATOM 1486 O VAL A 102 0.746 -5.541 10.056 1.00 0.00 O ATOM 1487 CB VAL A 102 -2.179 -4.837 11.171 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -1.092 -4.347 12.123 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -3.290 -3.795 11.087 1.00 0.00 C ATOM 0 H VAL A 102 -0.965 -7.044 9.638 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.098 -4.408 9.076 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.589 -5.776 11.542 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.519 -4.191 13.114 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.298 -5.092 12.183 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.681 -3.408 11.753 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.718 -3.639 12.077 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.880 -2.855 10.716 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.067 -4.145 10.407 1.00 0.00 H new ATOM 1499 N PHE A 103 0.208 -3.441 9.444 1.00 0.00 N ATOM 1500 CA PHE A 103 1.581 -2.981 9.399 1.00 0.00 C ATOM 1501 C PHE A 103 2.386 -3.647 10.506 1.00 0.00 C ATOM 1502 O PHE A 103 1.825 -4.079 11.510 1.00 0.00 O ATOM 1503 CB PHE A 103 1.612 -1.462 9.546 1.00 0.00 C ATOM 1504 CG PHE A 103 0.805 -0.953 10.716 1.00 0.00 C ATOM 1505 CD1 PHE A 103 1.193 -1.265 12.024 1.00 0.00 C ATOM 1506 CD2 PHE A 103 -0.331 -0.165 10.492 1.00 0.00 C ATOM 1507 CE1 PHE A 103 0.446 -0.791 13.108 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -1.079 0.309 11.576 1.00 0.00 C ATOM 1509 CZ PHE A 103 -0.691 -0.004 12.884 1.00 0.00 C ATOM 0 H PHE A 103 -0.482 -2.729 9.206 1.00 0.00 H new ATOM 0 HA PHE A 103 2.027 -3.250 8.442 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.646 -1.137 9.660 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.234 -1.009 8.630 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.069 -1.872 12.197 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.630 0.077 9.483 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.746 -1.032 14.117 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.955 0.916 11.403 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.268 0.361 13.721 1.00 0.00 H new ATOM 1519 N GLY A 104 3.706 -3.729 10.321 1.00 0.00 N ATOM 1520 CA GLY A 104 4.575 -4.342 11.306 1.00 0.00 C ATOM 1521 C GLY A 104 5.673 -3.371 11.718 1.00 0.00 C ATOM 1522 O GLY A 104 5.765 -2.269 11.180 1.00 0.00 O ATOM 0 H GLY A 104 4.189 -3.376 9.495 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.994 -4.637 12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.018 -5.250 10.896 1.00 0.00 H new ATOM 1526 N ASP A 105 6.506 -3.782 12.676 1.00 0.00 N ATOM 1527 CA ASP A 105 7.590 -2.948 13.155 1.00 0.00 C ATOM 1528 C ASP A 105 8.449 -3.734 14.136 1.00 0.00 C ATOM 1529 O ASP A 105 8.173 -3.746 15.334 1.00 0.00 O ATOM 1530 CB ASP A 105 7.016 -1.700 13.819 1.00 0.00 C ATOM 1531 CG ASP A 105 7.738 -0.449 13.340 1.00 0.00 C ATOM 1532 OD1 ASP A 105 8.886 -0.248 13.791 1.00 0.00 O ATOM 1533 OD2 ASP A 105 7.127 0.284 12.531 1.00 0.00 O ATOM 0 H ASP A 105 6.443 -4.692 13.132 1.00 0.00 H new ATOM 0 HA ASP A 105 8.216 -2.642 12.317 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.953 -1.620 13.594 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.107 -1.785 14.902 1.00 0.00 H new