USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 643 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 72 ASN : amide:sc= -1.37 K(o=-0.36,f=-3.6!) USER MOD Set 1.2: A 82 THR OG1 : rot -155:sc= 1.01 USER MOD Set 2.1: A 8 CYS SG : rot 180:sc= 0.00592 USER MOD Set 2.2: A 15 SER OG : rot -35:sc= 0.304 USER MOD Set 2.3: A 37 GLN :FLIP amide:sc= -0.361 F(o=-0.69,f=-0.052) USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0496) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 149:sc= 1.06 (180deg=0.385) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0582 F(o=-0.8,f=-0.058) USER MOD Single : A 20 ASN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=0.0071) USER MOD Single : A 30 ASN : amide:sc= -0.406 K(o=-0.41,f=-0.92) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -150:sc= -0.527 USER MOD Single : A 55 THR OG1 : rot 114:sc= 1.07 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0931 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.633 K(o=-0.63,f=-3) USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= -1.27 (180deg=-1.39) USER MOD Single : A 84 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.48) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.113 F(o=-0.73,f=-0.11) USER MOD Single : A 88 THR OG1 : rot 81:sc= 1.31 USER MOD Single : A 91 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.95) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.153 -0.631 0.130 1.00 14.22 N ATOM 2 CA MET A 1 2.152 -0.494 -0.923 1.00 74.13 C ATOM 3 C MET A 1 2.956 -1.781 -1.080 1.00 54.14 C ATOM 4 O MET A 1 3.559 -2.269 -0.125 1.00 34.25 O ATOM 5 CB MET A 1 3.091 0.674 -0.616 1.00 61.33 C ATOM 6 CG MET A 1 3.750 1.265 -1.852 1.00 74.01 C ATOM 7 SD MET A 1 4.960 2.540 -1.451 1.00 62.35 S ATOM 8 CE MET A 1 4.783 3.630 -2.861 1.00 40.04 C ATOM 0 H1 MET A 1 0.618 0.257 0.219 1.00 14.22 H new ATOM 0 H2 MET A 1 0.501 -1.406 -0.108 1.00 14.22 H new ATOM 0 H3 MET A 1 1.626 -0.842 1.032 1.00 14.22 H new ATOM 0 HA MET A 1 1.631 -0.295 -1.860 1.00 74.13 H new ATOM 0 HB2 MET A 1 2.530 1.456 -0.104 1.00 61.33 H new ATOM 0 HB3 MET A 1 3.866 0.336 0.072 1.00 61.33 H new ATOM 0 HG2 MET A 1 4.239 0.469 -2.414 1.00 74.01 H new ATOM 0 HG3 MET A 1 2.983 1.688 -2.501 1.00 74.01 H new ATOM 0 HE1 MET A 1 5.389 4.523 -2.709 1.00 40.04 H new ATOM 0 HE2 MET A 1 5.115 3.115 -3.763 1.00 40.04 H new ATOM 0 HE3 MET A 1 3.737 3.916 -2.971 1.00 40.04 H new ATOM 18 N LYS A 2 2.960 -2.326 -2.292 1.00 71.30 N ATOM 19 CA LYS A 2 3.690 -3.556 -2.575 1.00 62.15 C ATOM 20 C LYS A 2 4.774 -3.316 -3.621 1.00 63.33 C ATOM 21 O LYS A 2 4.590 -3.620 -4.800 1.00 12.15 O ATOM 22 CB LYS A 2 2.729 -4.644 -3.061 1.00 45.45 C ATOM 23 CG LYS A 2 1.549 -4.871 -2.133 1.00 71.44 C ATOM 24 CD LYS A 2 2.005 -5.194 -0.720 1.00 74.23 C ATOM 25 CE LYS A 2 2.807 -6.486 -0.675 1.00 1.52 C ATOM 26 NZ LYS A 2 3.108 -6.903 0.723 1.00 41.43 N ATOM 0 H LYS A 2 2.466 -1.935 -3.094 1.00 71.30 H new ATOM 0 HA LYS A 2 4.166 -3.887 -1.652 1.00 62.15 H new ATOM 0 HB2 LYS A 2 2.357 -4.373 -4.049 1.00 45.45 H new ATOM 0 HB3 LYS A 2 3.278 -5.579 -3.172 1.00 45.45 H new ATOM 0 HG2 LYS A 2 0.920 -3.981 -2.119 1.00 71.44 H new ATOM 0 HG3 LYS A 2 0.937 -5.688 -2.515 1.00 71.44 H new ATOM 0 HD2 LYS A 2 2.612 -4.374 -0.336 1.00 74.23 H new ATOM 0 HD3 LYS A 2 1.137 -5.281 -0.067 1.00 74.23 H new ATOM 0 HE2 LYS A 2 2.250 -7.277 -1.178 1.00 1.52 H new ATOM 0 HE3 LYS A 2 3.740 -6.354 -1.224 1.00 1.52 H new ATOM 0 HZ1 LYS A 2 3.158 -7.941 0.773 1.00 41.43 H new ATOM 0 HZ2 LYS A 2 4.019 -6.498 1.018 1.00 41.43 H new ATOM 0 HZ3 LYS A 2 2.357 -6.562 1.356 1.00 41.43 H new ATOM 40 N GLN A 3 5.904 -2.771 -3.182 1.00 22.53 N ATOM 41 CA GLN A 3 7.018 -2.492 -4.081 1.00 35.40 C ATOM 42 C GLN A 3 7.648 -3.787 -4.585 1.00 1.55 C ATOM 43 O GLN A 3 8.445 -4.414 -3.887 1.00 2.45 O ATOM 44 CB GLN A 3 8.071 -1.640 -3.373 1.00 4.45 C ATOM 45 CG GLN A 3 9.080 -1.008 -4.319 1.00 32.41 C ATOM 46 CD GLN A 3 9.964 0.014 -3.632 1.00 61.23 C ATOM 47 OE1 GLN A 3 9.559 1.156 -3.416 1.00 44.52 O ATOM 48 NE2 GLN A 3 11.180 -0.393 -3.285 1.00 14.42 N ATOM 0 H GLN A 3 6.072 -2.514 -2.209 1.00 22.53 H new ATOM 0 HA GLN A 3 6.631 -1.940 -4.938 1.00 35.40 H new ATOM 0 HB2 GLN A 3 7.570 -0.852 -2.810 1.00 4.45 H new ATOM 0 HB3 GLN A 3 8.602 -2.260 -2.650 1.00 4.45 H new ATOM 0 HG2 GLN A 3 9.704 -1.789 -4.753 1.00 32.41 H new ATOM 0 HG3 GLN A 3 8.550 -0.529 -5.142 1.00 32.41 H new ATOM 0 HE21 GLN A 3 11.474 -1.349 -3.484 1.00 14.42 H new ATOM 0 HE22 GLN A 3 11.820 0.251 -2.820 1.00 14.42 H new ATOM 57 N VAL A 4 7.286 -4.182 -5.801 1.00 14.41 N ATOM 58 CA VAL A 4 7.816 -5.401 -6.399 1.00 4.15 C ATOM 59 C VAL A 4 8.711 -5.084 -7.591 1.00 43.24 C ATOM 60 O VAL A 4 8.332 -4.320 -8.481 1.00 21.54 O ATOM 61 CB VAL A 4 6.685 -6.341 -6.855 1.00 51.22 C ATOM 62 CG1 VAL A 4 7.258 -7.637 -7.409 1.00 15.25 C ATOM 63 CG2 VAL A 4 5.728 -6.619 -5.706 1.00 74.01 C ATOM 0 H VAL A 4 6.627 -3.675 -6.392 1.00 14.41 H new ATOM 0 HA VAL A 4 8.404 -5.901 -5.630 1.00 4.15 H new ATOM 0 HB VAL A 4 6.126 -5.850 -7.652 1.00 51.22 H new ATOM 0 HG11 VAL A 4 6.444 -8.289 -7.726 1.00 15.25 H new ATOM 0 HG12 VAL A 4 7.899 -7.416 -8.262 1.00 15.25 H new ATOM 0 HG13 VAL A 4 7.842 -8.136 -6.636 1.00 15.25 H new ATOM 0 HG21 VAL A 4 4.935 -7.285 -6.046 1.00 74.01 H new ATOM 0 HG22 VAL A 4 6.271 -7.090 -4.886 1.00 74.01 H new ATOM 0 HG23 VAL A 4 5.292 -5.682 -5.361 1.00 74.01 H new ATOM 73 N LEU A 5 9.901 -5.675 -7.605 1.00 11.21 N ATOM 74 CA LEU A 5 10.852 -5.456 -8.690 1.00 35.33 C ATOM 75 C LEU A 5 10.728 -6.546 -9.750 1.00 12.11 C ATOM 76 O LEU A 5 9.977 -7.507 -9.583 1.00 23.24 O ATOM 77 CB LEU A 5 12.280 -5.420 -8.143 1.00 72.41 C ATOM 78 CG LEU A 5 12.559 -4.374 -7.064 1.00 44.30 C ATOM 79 CD1 LEU A 5 13.571 -4.901 -6.058 1.00 41.14 C ATOM 80 CD2 LEU A 5 13.054 -3.079 -7.692 1.00 61.03 C ATOM 0 H LEU A 5 10.230 -6.309 -6.877 1.00 11.21 H new ATOM 0 HA LEU A 5 10.623 -4.496 -9.154 1.00 35.33 H new ATOM 0 HB2 LEU A 5 12.517 -6.403 -7.737 1.00 72.41 H new ATOM 0 HB3 LEU A 5 12.962 -5.245 -8.975 1.00 72.41 H new ATOM 0 HG LEU A 5 11.628 -4.167 -6.537 1.00 44.30 H new ATOM 0 HD11 LEU A 5 13.757 -4.143 -5.298 1.00 41.14 H new ATOM 0 HD12 LEU A 5 13.179 -5.801 -5.585 1.00 41.14 H new ATOM 0 HD13 LEU A 5 14.504 -5.138 -6.570 1.00 41.14 H new ATOM 0 HD21 LEU A 5 13.248 -2.346 -6.909 1.00 61.03 H new ATOM 0 HD22 LEU A 5 13.974 -3.271 -8.245 1.00 61.03 H new ATOM 0 HD23 LEU A 5 12.296 -2.692 -8.373 1.00 61.03 H new ATOM 92 N VAL A 6 11.471 -6.390 -10.841 1.00 22.01 N ATOM 93 CA VAL A 6 11.448 -7.362 -11.927 1.00 74.13 C ATOM 94 C VAL A 6 12.791 -7.416 -12.646 1.00 22.24 C ATOM 95 O VAL A 6 13.113 -6.540 -13.448 1.00 24.43 O ATOM 96 CB VAL A 6 10.344 -7.034 -12.950 1.00 51.33 C ATOM 97 CG1 VAL A 6 10.347 -8.048 -14.084 1.00 21.24 C ATOM 98 CG2 VAL A 6 8.984 -6.987 -12.270 1.00 2.43 C ATOM 0 H VAL A 6 12.096 -5.599 -10.996 1.00 22.01 H new ATOM 0 HA VAL A 6 11.241 -8.333 -11.478 1.00 74.13 H new ATOM 0 HB VAL A 6 10.547 -6.051 -13.374 1.00 51.33 H new ATOM 0 HG11 VAL A 6 9.560 -7.800 -14.796 1.00 21.24 H new ATOM 0 HG12 VAL A 6 11.313 -8.027 -14.588 1.00 21.24 H new ATOM 0 HG13 VAL A 6 10.170 -9.045 -13.681 1.00 21.24 H new ATOM 0 HG21 VAL A 6 8.216 -6.754 -13.008 1.00 2.43 H new ATOM 0 HG22 VAL A 6 8.770 -7.955 -11.817 1.00 2.43 H new ATOM 0 HG23 VAL A 6 8.990 -6.218 -11.497 1.00 2.43 H new ATOM 108 N ALA A 7 13.572 -8.451 -12.352 1.00 75.21 N ATOM 109 CA ALA A 7 14.880 -8.621 -12.972 1.00 32.52 C ATOM 110 C ALA A 7 15.077 -10.055 -13.453 1.00 51.12 C ATOM 111 O ALA A 7 15.349 -10.955 -12.658 1.00 33.03 O ATOM 112 CB ALA A 7 15.981 -8.235 -11.995 1.00 53.54 C ATOM 0 H ALA A 7 13.321 -9.184 -11.688 1.00 75.21 H new ATOM 0 HA ALA A 7 14.932 -7.963 -13.840 1.00 32.52 H new ATOM 0 HB1 ALA A 7 16.953 -8.367 -12.471 1.00 53.54 H new ATOM 0 HB2 ALA A 7 15.859 -7.192 -11.703 1.00 53.54 H new ATOM 0 HB3 ALA A 7 15.921 -8.869 -11.111 1.00 53.54 H new ATOM 118 N CYS A 8 14.938 -10.260 -14.758 1.00 74.12 N ATOM 119 CA CYS A 8 15.099 -11.586 -15.345 1.00 50.43 C ATOM 120 C CYS A 8 16.568 -11.878 -15.631 1.00 62.33 C ATOM 121 O CYS A 8 17.452 -11.119 -15.235 1.00 74.21 O ATOM 122 CB CYS A 8 14.284 -11.698 -16.634 1.00 53.24 C ATOM 123 SG CYS A 8 14.847 -10.607 -17.961 1.00 40.54 S ATOM 0 H CYS A 8 14.714 -9.526 -15.430 1.00 74.12 H new ATOM 0 HA CYS A 8 14.734 -12.321 -14.628 1.00 50.43 H new ATOM 0 HB2 CYS A 8 14.321 -12.729 -16.986 1.00 53.24 H new ATOM 0 HB3 CYS A 8 13.241 -11.474 -16.412 1.00 53.24 H new ATOM 0 HG CYS A 8 14.097 -10.776 -19.009 1.00 40.54 H new ATOM 196 N SER A 15 12.006 -8.205 -21.256 1.00 74.44 N ATOM 197 CA SER A 15 10.948 -8.404 -20.272 1.00 24.20 C ATOM 198 C SER A 15 9.883 -7.319 -20.392 1.00 51.23 C ATOM 199 O SER A 15 9.793 -6.423 -19.552 1.00 23.44 O ATOM 200 CB SER A 15 11.533 -8.406 -18.858 1.00 72.51 C ATOM 201 OG SER A 15 12.509 -7.390 -18.708 1.00 14.00 O ATOM 0 HA SER A 15 10.481 -9.370 -20.467 1.00 24.20 H new ATOM 0 HB2 SER A 15 10.735 -8.258 -18.131 1.00 72.51 H new ATOM 0 HB3 SER A 15 11.980 -9.378 -18.647 1.00 72.51 H new ATOM 0 HG SER A 15 13.003 -7.284 -19.548 1.00 14.00 H new ATOM 207 N THR A 16 9.076 -7.405 -21.445 1.00 54.11 N ATOM 208 CA THR A 16 8.017 -6.431 -21.678 1.00 12.10 C ATOM 209 C THR A 16 6.642 -7.050 -21.457 1.00 74.42 C ATOM 210 O THR A 16 5.812 -6.502 -20.731 1.00 71.43 O ATOM 211 CB THR A 16 8.085 -5.857 -23.106 1.00 4.12 C ATOM 212 OG1 THR A 16 9.423 -5.440 -23.402 1.00 52.32 O ATOM 213 CG2 THR A 16 7.135 -4.679 -23.262 1.00 20.41 C ATOM 0 H THR A 16 9.136 -8.140 -22.150 1.00 54.11 H new ATOM 0 HA THR A 16 8.168 -5.623 -20.962 1.00 12.10 H new ATOM 0 HB THR A 16 7.785 -6.639 -23.803 1.00 4.12 H new ATOM 0 HG1 THR A 16 9.459 -5.078 -24.312 1.00 52.32 H new ATOM 0 HG21 THR A 16 7.201 -4.291 -24.278 1.00 20.41 H new ATOM 0 HG22 THR A 16 6.114 -5.006 -23.064 1.00 20.41 H new ATOM 0 HG23 THR A 16 7.408 -3.895 -22.556 1.00 20.41 H new ATOM 221 N VAL A 17 6.406 -8.197 -22.087 1.00 51.13 N ATOM 222 CA VAL A 17 5.131 -8.892 -21.958 1.00 21.41 C ATOM 223 C VAL A 17 4.756 -9.085 -20.493 1.00 2.22 C ATOM 224 O VAL A 17 3.614 -8.852 -20.097 1.00 51.31 O ATOM 225 CB VAL A 17 5.169 -10.267 -22.652 1.00 33.14 C ATOM 226 CG1 VAL A 17 3.852 -11.002 -22.452 1.00 22.41 C ATOM 227 CG2 VAL A 17 5.481 -10.108 -24.132 1.00 31.11 C ATOM 0 H VAL A 17 7.082 -8.664 -22.692 1.00 51.13 H new ATOM 0 HA VAL A 17 4.380 -8.269 -22.443 1.00 21.41 H new ATOM 0 HB VAL A 17 5.962 -10.862 -22.199 1.00 33.14 H new ATOM 0 HG11 VAL A 17 3.897 -11.971 -22.949 1.00 22.41 H new ATOM 0 HG12 VAL A 17 3.675 -11.148 -21.386 1.00 22.41 H new ATOM 0 HG13 VAL A 17 3.039 -10.414 -22.877 1.00 22.41 H new ATOM 0 HG21 VAL A 17 5.504 -11.089 -24.606 1.00 31.11 H new ATOM 0 HG22 VAL A 17 4.712 -9.495 -24.602 1.00 31.11 H new ATOM 0 HG23 VAL A 17 6.451 -9.625 -24.250 1.00 31.11 H new ATOM 237 N VAL A 18 5.726 -9.511 -19.690 1.00 63.54 N ATOM 238 CA VAL A 18 5.499 -9.734 -18.268 1.00 2.05 C ATOM 239 C VAL A 18 4.952 -8.480 -17.596 1.00 4.55 C ATOM 240 O VAL A 18 3.821 -8.464 -17.114 1.00 35.51 O ATOM 241 CB VAL A 18 6.794 -10.163 -17.553 1.00 4.12 C ATOM 242 CG1 VAL A 18 6.506 -10.549 -16.110 1.00 53.30 C ATOM 243 CG2 VAL A 18 7.458 -11.311 -18.298 1.00 24.13 C ATOM 0 H VAL A 18 6.677 -9.709 -20.001 1.00 63.54 H new ATOM 0 HA VAL A 18 4.765 -10.536 -18.187 1.00 2.05 H new ATOM 0 HB VAL A 18 7.482 -9.317 -17.547 1.00 4.12 H new ATOM 0 HG11 VAL A 18 7.433 -10.849 -15.622 1.00 53.30 H new ATOM 0 HG12 VAL A 18 6.078 -9.696 -15.584 1.00 53.30 H new ATOM 0 HG13 VAL A 18 5.800 -11.379 -16.089 1.00 53.30 H new ATOM 0 HG21 VAL A 18 8.372 -11.601 -17.779 1.00 24.13 H new ATOM 0 HG22 VAL A 18 6.777 -12.161 -18.338 1.00 24.13 H new ATOM 0 HG23 VAL A 18 7.702 -10.994 -19.312 1.00 24.13 H new ATOM 253 N ASN A 19 5.765 -7.428 -17.568 1.00 13.15 N ATOM 254 CA ASN A 19 5.362 -6.167 -16.954 1.00 63.42 C ATOM 255 C ASN A 19 4.033 -5.684 -17.527 1.00 5.31 C ATOM 256 O ASN A 19 3.072 -5.466 -16.791 1.00 75.55 O ATOM 257 CB ASN A 19 6.441 -5.104 -17.170 1.00 51.02 C ATOM 258 CG ASN A 19 5.906 -3.695 -16.999 1.00 24.25 C ATOM 259 OD1 ASN A 19 5.146 -3.477 -15.932 1.00 41.05 O flip ATOM 260 ND2 ASN A 19 6.174 -2.814 -17.815 1.00 2.12 N flip ATOM 0 H ASN A 19 6.706 -7.424 -17.963 1.00 13.15 H new ATOM 0 HA ASN A 19 5.236 -6.335 -15.884 1.00 63.42 H new ATOM 0 HB2 ASN A 19 7.256 -5.269 -16.465 1.00 51.02 H new ATOM 0 HB3 ASN A 19 6.859 -5.212 -18.171 1.00 51.02 H new ATOM 0 HD21 ASN A 19 6.762 -3.027 -18.621 1.00 2.12 H new ATOM 0 HD22 ASN A 19 5.808 -1.871 -17.686 1.00 2.12 H new ATOM 267 N ASN A 20 3.989 -5.518 -18.845 1.00 13.32 N ATOM 268 CA ASN A 20 2.778 -5.060 -19.517 1.00 1.22 C ATOM 269 C ASN A 20 1.574 -5.900 -19.102 1.00 24.32 C ATOM 270 O ASN A 20 0.456 -5.396 -19.006 1.00 31.23 O ATOM 271 CB ASN A 20 2.958 -5.121 -21.035 1.00 21.31 C ATOM 272 CG ASN A 20 3.627 -3.878 -21.589 1.00 11.03 C ATOM 273 OD1 ASN A 20 3.018 -3.113 -22.337 1.00 21.01 O ATOM 274 ND2 ASN A 20 4.887 -3.671 -21.223 1.00 35.15 N ATOM 0 H ASN A 20 4.777 -5.694 -19.468 1.00 13.32 H new ATOM 0 HA ASN A 20 2.597 -4.027 -19.221 1.00 1.22 H new ATOM 0 HB2 ASN A 20 3.554 -5.996 -21.292 1.00 21.31 H new ATOM 0 HB3 ASN A 20 1.985 -5.248 -21.509 1.00 21.31 H new ATOM 0 HD21 ASN A 20 5.389 -2.851 -21.564 1.00 35.15 H new ATOM 0 HD22 ASN A 20 5.353 -4.332 -20.601 1.00 35.15 H new ATOM 281 N ALA A 21 1.813 -7.185 -18.856 1.00 52.44 N ATOM 282 CA ALA A 21 0.750 -8.095 -18.449 1.00 55.41 C ATOM 283 C ALA A 21 0.342 -7.849 -17.000 1.00 61.52 C ATOM 284 O ALA A 21 -0.821 -7.564 -16.712 1.00 63.35 O ATOM 285 CB ALA A 21 1.189 -9.539 -18.639 1.00 5.24 C ATOM 0 H ALA A 21 2.733 -7.618 -18.932 1.00 52.44 H new ATOM 0 HA ALA A 21 -0.118 -7.906 -19.080 1.00 55.41 H new ATOM 0 HB1 ALA A 21 0.385 -10.207 -18.331 1.00 5.24 H new ATOM 0 HB2 ALA A 21 1.423 -9.713 -19.689 1.00 5.24 H new ATOM 0 HB3 ALA A 21 2.074 -9.733 -18.033 1.00 5.24 H new ATOM 291 N ILE A 22 1.306 -7.963 -16.092 1.00 74.03 N ATOM 292 CA ILE A 22 1.046 -7.753 -14.673 1.00 62.24 C ATOM 293 C ILE A 22 0.412 -6.388 -14.426 1.00 64.45 C ATOM 294 O ILE A 22 -0.644 -6.288 -13.804 1.00 52.21 O ATOM 295 CB ILE A 22 2.338 -7.865 -13.842 1.00 40.34 C ATOM 296 CG1 ILE A 22 2.978 -9.241 -14.036 1.00 50.15 C ATOM 297 CG2 ILE A 22 2.044 -7.614 -12.371 1.00 4.12 C ATOM 298 CD1 ILE A 22 2.058 -10.390 -13.686 1.00 43.35 C ATOM 0 H ILE A 22 2.273 -8.199 -16.314 1.00 74.03 H new ATOM 0 HA ILE A 22 0.353 -8.534 -14.360 1.00 62.24 H new ATOM 0 HB ILE A 22 3.041 -7.107 -14.187 1.00 40.34 H new ATOM 0 HG12 ILE A 22 3.294 -9.343 -15.074 1.00 50.15 H new ATOM 0 HG13 ILE A 22 3.876 -9.305 -13.422 1.00 50.15 H new ATOM 0 HG21 ILE A 22 2.967 -7.697 -11.796 1.00 4.12 H new ATOM 0 HG22 ILE A 22 1.628 -6.614 -12.249 1.00 4.12 H new ATOM 0 HG23 ILE A 22 1.326 -8.352 -12.012 1.00 4.12 H new ATOM 0 HD11 ILE A 22 2.578 -11.334 -13.847 1.00 43.35 H new ATOM 0 HD12 ILE A 22 1.762 -10.313 -12.640 1.00 43.35 H new ATOM 0 HD13 ILE A 22 1.171 -10.351 -14.318 1.00 43.35 H new ATOM 310 N GLU A 23 1.065 -5.341 -14.920 1.00 40.34 N ATOM 311 CA GLU A 23 0.564 -3.982 -14.754 1.00 10.53 C ATOM 312 C GLU A 23 -0.896 -3.883 -15.188 1.00 45.42 C ATOM 313 O GLU A 23 -1.669 -3.109 -14.626 1.00 54.52 O ATOM 314 CB GLU A 23 1.415 -2.998 -15.560 1.00 22.05 C ATOM 315 CG GLU A 23 1.150 -3.046 -17.055 1.00 33.42 C ATOM 316 CD GLU A 23 1.972 -2.033 -17.826 1.00 40.35 C ATOM 317 OE1 GLU A 23 1.410 -1.377 -18.728 1.00 53.43 O ATOM 318 OE2 GLU A 23 3.177 -1.896 -17.529 1.00 50.52 O ATOM 0 H GLU A 23 1.941 -5.408 -15.438 1.00 40.34 H new ATOM 0 HA GLU A 23 0.629 -3.726 -13.697 1.00 10.53 H new ATOM 0 HB2 GLU A 23 1.227 -1.987 -15.199 1.00 22.05 H new ATOM 0 HB3 GLU A 23 2.469 -3.210 -15.379 1.00 22.05 H new ATOM 0 HG2 GLU A 23 1.371 -4.046 -17.427 1.00 33.42 H new ATOM 0 HG3 GLU A 23 0.091 -2.864 -17.238 1.00 33.42 H new ATOM 325 N GLU A 24 -1.263 -4.672 -16.193 1.00 24.12 N ATOM 326 CA GLU A 24 -2.628 -4.672 -16.704 1.00 34.24 C ATOM 327 C GLU A 24 -3.569 -5.390 -15.740 1.00 75.14 C ATOM 328 O GLU A 24 -4.724 -4.998 -15.577 1.00 35.10 O ATOM 329 CB GLU A 24 -2.682 -5.340 -18.079 1.00 71.22 C ATOM 330 CG GLU A 24 -3.899 -4.948 -18.899 1.00 54.43 C ATOM 331 CD GLU A 24 -3.828 -5.452 -20.328 1.00 1.24 C ATOM 332 OE1 GLU A 24 -4.632 -6.337 -20.686 1.00 22.52 O ATOM 333 OE2 GLU A 24 -2.967 -4.960 -21.087 1.00 53.33 O ATOM 0 H GLU A 24 -0.634 -5.319 -16.669 1.00 24.12 H new ATOM 0 HA GLU A 24 -2.953 -3.636 -16.799 1.00 34.24 H new ATOM 0 HB2 GLU A 24 -1.781 -5.081 -18.635 1.00 71.22 H new ATOM 0 HB3 GLU A 24 -2.676 -6.422 -17.948 1.00 71.22 H new ATOM 0 HG2 GLU A 24 -4.796 -5.344 -18.423 1.00 54.43 H new ATOM 0 HG3 GLU A 24 -3.994 -3.862 -18.905 1.00 54.43 H new ATOM 340 N MET A 25 -3.066 -6.444 -15.106 1.00 11.21 N ATOM 341 CA MET A 25 -3.861 -7.216 -14.158 1.00 72.44 C ATOM 342 C MET A 25 -4.048 -6.450 -12.853 1.00 2.30 C ATOM 343 O MET A 25 -5.163 -6.328 -12.348 1.00 33.43 O ATOM 344 CB MET A 25 -3.194 -8.565 -13.881 1.00 12.14 C ATOM 345 CG MET A 25 -2.944 -9.389 -15.133 1.00 41.44 C ATOM 346 SD MET A 25 -4.323 -10.478 -15.535 1.00 60.41 S ATOM 347 CE MET A 25 -3.508 -11.685 -16.578 1.00 72.04 C ATOM 0 H MET A 25 -2.112 -6.783 -15.231 1.00 11.21 H new ATOM 0 HA MET A 25 -4.842 -7.388 -14.600 1.00 72.44 H new ATOM 0 HB2 MET A 25 -2.245 -8.394 -13.373 1.00 12.14 H new ATOM 0 HB3 MET A 25 -3.822 -9.138 -13.199 1.00 12.14 H new ATOM 0 HG2 MET A 25 -2.758 -8.719 -15.973 1.00 41.44 H new ATOM 0 HG3 MET A 25 -2.043 -9.986 -14.996 1.00 41.44 H new ATOM 0 HE1 MET A 25 -4.233 -12.429 -16.908 1.00 72.04 H new ATOM 0 HE2 MET A 25 -3.080 -11.185 -17.447 1.00 72.04 H new ATOM 0 HE3 MET A 25 -2.715 -12.176 -16.015 1.00 72.04 H new ATOM 357 N ALA A 26 -2.949 -5.934 -12.312 1.00 64.42 N ATOM 358 CA ALA A 26 -2.992 -5.178 -11.067 1.00 31.32 C ATOM 359 C ALA A 26 -4.051 -4.082 -11.127 1.00 24.33 C ATOM 360 O ALA A 26 -4.799 -3.874 -10.172 1.00 31.55 O ATOM 361 CB ALA A 26 -1.626 -4.580 -10.765 1.00 12.23 C ATOM 0 H ALA A 26 -2.017 -6.026 -12.717 1.00 64.42 H new ATOM 0 HA ALA A 26 -3.261 -5.863 -10.263 1.00 31.32 H new ATOM 0 HB1 ALA A 26 -1.673 -4.018 -9.832 1.00 12.23 H new ATOM 0 HB2 ALA A 26 -0.892 -5.380 -10.670 1.00 12.23 H new ATOM 0 HB3 ALA A 26 -1.333 -3.913 -11.576 1.00 12.23 H new ATOM 367 N LYS A 27 -4.108 -3.382 -12.255 1.00 23.43 N ATOM 368 CA LYS A 27 -5.075 -2.307 -12.440 1.00 62.25 C ATOM 369 C LYS A 27 -6.500 -2.820 -12.258 1.00 42.31 C ATOM 370 O LYS A 27 -7.320 -2.179 -11.601 1.00 43.35 O ATOM 371 CB LYS A 27 -4.918 -1.687 -13.831 1.00 34.40 C ATOM 372 CG LYS A 27 -3.848 -0.612 -13.901 1.00 21.23 C ATOM 373 CD LYS A 27 -3.925 0.167 -15.203 1.00 4.43 C ATOM 374 CE LYS A 27 -3.079 -0.479 -16.290 1.00 14.31 C ATOM 375 NZ LYS A 27 -2.898 0.423 -17.461 1.00 1.32 N ATOM 0 H LYS A 27 -3.495 -3.540 -13.055 1.00 23.43 H new ATOM 0 HA LYS A 27 -4.883 -1.545 -11.685 1.00 62.25 H new ATOM 0 HB2 LYS A 27 -4.677 -2.474 -14.545 1.00 34.40 H new ATOM 0 HB3 LYS A 27 -5.872 -1.259 -14.138 1.00 34.40 H new ATOM 0 HG2 LYS A 27 -3.962 0.072 -13.060 1.00 21.23 H new ATOM 0 HG3 LYS A 27 -2.864 -1.071 -13.808 1.00 21.23 H new ATOM 0 HD2 LYS A 27 -4.962 0.224 -15.533 1.00 4.43 H new ATOM 0 HD3 LYS A 27 -3.587 1.190 -15.037 1.00 4.43 H new ATOM 0 HE2 LYS A 27 -2.104 -0.744 -15.882 1.00 14.31 H new ATOM 0 HE3 LYS A 27 -3.551 -1.406 -16.615 1.00 14.31 H new ATOM 0 HZ1 LYS A 27 -2.316 -0.053 -18.179 1.00 1.32 H new ATOM 0 HZ2 LYS A 27 -3.827 0.656 -17.866 1.00 1.32 H new ATOM 0 HZ3 LYS A 27 -2.424 1.297 -17.156 1.00 1.32 H new ATOM 389 N GLU A 28 -6.787 -3.979 -12.842 1.00 45.14 N ATOM 390 CA GLU A 28 -8.113 -4.576 -12.743 1.00 21.43 C ATOM 391 C GLU A 28 -8.475 -4.857 -11.287 1.00 71.21 C ATOM 392 O GLU A 28 -9.633 -4.728 -10.888 1.00 22.03 O ATOM 393 CB GLU A 28 -8.175 -5.872 -13.554 1.00 72.02 C ATOM 394 CG GLU A 28 -9.587 -6.282 -13.940 1.00 2.45 C ATOM 395 CD GLU A 28 -9.617 -7.523 -14.809 1.00 71.34 C ATOM 396 OE1 GLU A 28 -9.069 -8.561 -14.383 1.00 1.23 O ATOM 397 OE2 GLU A 28 -10.190 -7.457 -15.917 1.00 41.23 O ATOM 0 H GLU A 28 -6.119 -4.523 -13.388 1.00 45.14 H new ATOM 0 HA GLU A 28 -8.834 -3.867 -13.149 1.00 21.43 H new ATOM 0 HB2 GLU A 28 -7.580 -5.753 -14.459 1.00 72.02 H new ATOM 0 HB3 GLU A 28 -7.718 -6.675 -12.976 1.00 72.02 H new ATOM 0 HG2 GLU A 28 -10.169 -6.462 -13.036 1.00 2.45 H new ATOM 0 HG3 GLU A 28 -10.068 -5.460 -14.470 1.00 2.45 H new ATOM 404 N HIS A 29 -7.477 -5.243 -10.499 1.00 3.33 N ATOM 405 CA HIS A 29 -7.689 -5.542 -9.087 1.00 71.11 C ATOM 406 C HIS A 29 -7.740 -4.260 -8.261 1.00 64.14 C ATOM 407 O HIS A 29 -8.367 -4.216 -7.204 1.00 23.11 O ATOM 408 CB HIS A 29 -6.579 -6.455 -8.565 1.00 75.31 C ATOM 409 CG HIS A 29 -6.589 -7.821 -9.180 1.00 32.24 C ATOM 410 ND1 HIS A 29 -7.496 -8.798 -8.827 1.00 61.52 N ATOM 411 CD2 HIS A 29 -5.797 -8.370 -10.130 1.00 21.11 C ATOM 412 CE1 HIS A 29 -7.260 -9.890 -9.533 1.00 22.01 C ATOM 413 NE2 HIS A 29 -6.234 -9.656 -10.331 1.00 70.24 N ATOM 0 H HIS A 29 -6.513 -5.356 -10.814 1.00 3.33 H new ATOM 0 HA HIS A 29 -8.646 -6.054 -8.990 1.00 71.11 H new ATOM 0 HB2 HIS A 29 -5.614 -5.986 -8.757 1.00 75.31 H new ATOM 0 HB3 HIS A 29 -6.677 -6.551 -7.484 1.00 75.31 H new ATOM 0 HD2 HIS A 29 -4.974 -7.887 -10.636 1.00 21.11 H new ATOM 0 HE1 HIS A 29 -7.812 -10.816 -9.468 1.00 22.01 H new ATOM 0 HE2 HIS A 29 -5.831 -10.323 -10.990 1.00 70.24 H new ATOM 421 N ASN A 30 -7.074 -3.219 -8.752 1.00 33.40 N ATOM 422 CA ASN A 30 -7.042 -1.937 -8.058 1.00 55.25 C ATOM 423 C ASN A 30 -6.300 -2.054 -6.731 1.00 63.41 C ATOM 424 O ASN A 30 -6.780 -1.591 -5.696 1.00 73.33 O ATOM 425 CB ASN A 30 -8.465 -1.429 -7.816 1.00 53.13 C ATOM 426 CG ASN A 30 -9.374 -1.664 -9.008 1.00 22.14 C ATOM 427 OD1 ASN A 30 -9.208 -1.048 -10.060 1.00 43.32 O ATOM 428 ND2 ASN A 30 -10.341 -2.559 -8.846 1.00 70.51 N ATOM 0 H ASN A 30 -6.550 -3.239 -9.627 1.00 33.40 H new ATOM 0 HA ASN A 30 -6.511 -1.224 -8.689 1.00 55.25 H new ATOM 0 HB2 ASN A 30 -8.882 -1.928 -6.941 1.00 53.13 H new ATOM 0 HB3 ASN A 30 -8.434 -0.363 -7.591 1.00 53.13 H new ATOM 0 HD21 ASN A 30 -10.984 -2.760 -9.612 1.00 70.51 H new ATOM 0 HD22 ASN A 30 -10.441 -3.046 -7.955 1.00 70.51 H new ATOM 435 N ILE A 31 -5.126 -2.676 -6.769 1.00 40.03 N ATOM 436 CA ILE A 31 -4.316 -2.853 -5.570 1.00 53.32 C ATOM 437 C ILE A 31 -3.111 -1.919 -5.578 1.00 43.14 C ATOM 438 O ILE A 31 -2.614 -1.537 -6.638 1.00 54.43 O ATOM 439 CB ILE A 31 -3.825 -4.306 -5.432 1.00 10.23 C ATOM 440 CG1 ILE A 31 -4.986 -5.281 -5.634 1.00 74.20 C ATOM 441 CG2 ILE A 31 -3.178 -4.519 -4.071 1.00 51.23 C ATOM 442 CD1 ILE A 31 -4.557 -6.731 -5.682 1.00 4.23 C ATOM 0 H ILE A 31 -4.715 -3.066 -7.617 1.00 40.03 H new ATOM 0 HA ILE A 31 -4.954 -2.612 -4.720 1.00 53.32 H new ATOM 0 HB ILE A 31 -3.077 -4.496 -6.202 1.00 10.23 H new ATOM 0 HG12 ILE A 31 -5.705 -5.150 -4.825 1.00 74.20 H new ATOM 0 HG13 ILE A 31 -5.501 -5.032 -6.562 1.00 74.20 H new ATOM 0 HG21 ILE A 31 -2.836 -5.551 -3.988 1.00 51.23 H new ATOM 0 HG22 ILE A 31 -2.328 -3.845 -3.963 1.00 51.23 H new ATOM 0 HG23 ILE A 31 -3.906 -4.314 -3.286 1.00 51.23 H new ATOM 0 HD11 ILE A 31 -5.432 -7.365 -5.827 1.00 4.23 H new ATOM 0 HD12 ILE A 31 -3.862 -6.877 -6.508 1.00 4.23 H new ATOM 0 HD13 ILE A 31 -4.068 -6.997 -4.745 1.00 4.23 H new ATOM 454 N LYS A 32 -2.642 -1.556 -4.389 1.00 73.12 N ATOM 455 CA LYS A 32 -1.492 -0.669 -4.257 1.00 73.53 C ATOM 456 C LYS A 32 -0.199 -1.401 -4.603 1.00 51.44 C ATOM 457 O LYS A 32 0.591 -1.737 -3.721 1.00 41.32 O ATOM 458 CB LYS A 32 -1.411 -0.114 -2.834 1.00 12.04 C ATOM 459 CG LYS A 32 -2.732 0.428 -2.316 1.00 52.52 C ATOM 460 CD LYS A 32 -3.236 1.579 -3.172 1.00 21.04 C ATOM 461 CE LYS A 32 -2.291 2.770 -3.116 1.00 74.11 C ATOM 462 NZ LYS A 32 -2.882 3.976 -3.759 1.00 2.52 N ATOM 0 H LYS A 32 -3.041 -1.863 -3.502 1.00 73.12 H new ATOM 0 HA LYS A 32 -1.620 0.158 -4.956 1.00 73.53 H new ATOM 0 HB2 LYS A 32 -1.064 -0.902 -2.165 1.00 12.04 H new ATOM 0 HB3 LYS A 32 -0.665 0.681 -2.805 1.00 12.04 H new ATOM 0 HG2 LYS A 32 -3.474 -0.370 -2.304 1.00 52.52 H new ATOM 0 HG3 LYS A 32 -2.610 0.765 -1.287 1.00 52.52 H new ATOM 0 HD2 LYS A 32 -3.343 1.246 -4.204 1.00 21.04 H new ATOM 0 HD3 LYS A 32 -4.226 1.882 -2.830 1.00 21.04 H new ATOM 0 HE2 LYS A 32 -2.049 2.994 -2.077 1.00 74.11 H new ATOM 0 HE3 LYS A 32 -1.355 2.515 -3.613 1.00 74.11 H new ATOM 0 HZ1 LYS A 32 -2.208 4.766 -3.701 1.00 2.52 H new ATOM 0 HZ2 LYS A 32 -3.089 3.771 -4.757 1.00 2.52 H new ATOM 0 HZ3 LYS A 32 -3.762 4.235 -3.269 1.00 2.52 H new ATOM 476 N VAL A 33 0.012 -1.643 -5.893 1.00 55.34 N ATOM 477 CA VAL A 33 1.210 -2.332 -6.356 1.00 43.42 C ATOM 478 C VAL A 33 2.145 -1.376 -7.089 1.00 1.21 C ATOM 479 O VAL A 33 1.704 -0.555 -7.894 1.00 61.40 O ATOM 480 CB VAL A 33 0.858 -3.505 -7.290 1.00 44.31 C ATOM 481 CG1 VAL A 33 2.094 -4.342 -7.585 1.00 53.21 C ATOM 482 CG2 VAL A 33 -0.242 -4.360 -6.679 1.00 42.35 C ATOM 0 H VAL A 33 -0.632 -1.372 -6.636 1.00 55.34 H new ATOM 0 HA VAL A 33 1.713 -2.721 -5.471 1.00 43.42 H new ATOM 0 HB VAL A 33 0.490 -3.099 -8.232 1.00 44.31 H new ATOM 0 HG11 VAL A 33 1.826 -5.166 -8.246 1.00 53.21 H new ATOM 0 HG12 VAL A 33 2.848 -3.720 -8.067 1.00 53.21 H new ATOM 0 HG13 VAL A 33 2.495 -4.740 -6.653 1.00 53.21 H new ATOM 0 HG21 VAL A 33 -0.478 -5.184 -7.352 1.00 42.35 H new ATOM 0 HG22 VAL A 33 0.096 -4.758 -5.722 1.00 42.35 H new ATOM 0 HG23 VAL A 33 -1.133 -3.751 -6.524 1.00 42.35 H new ATOM 492 N ASP A 34 3.438 -1.488 -6.805 1.00 11.21 N ATOM 493 CA ASP A 34 4.437 -0.634 -7.438 1.00 74.42 C ATOM 494 C ASP A 34 5.441 -1.467 -8.228 1.00 71.54 C ATOM 495 O ASP A 34 6.505 -1.822 -7.719 1.00 75.32 O ATOM 496 CB ASP A 34 5.165 0.202 -6.385 1.00 43.03 C ATOM 497 CG ASP A 34 4.308 1.331 -5.847 1.00 73.52 C ATOM 498 OD1 ASP A 34 4.280 2.408 -6.478 1.00 40.04 O ATOM 499 OD2 ASP A 34 3.664 1.136 -4.795 1.00 74.15 O ATOM 0 H ASP A 34 3.819 -2.162 -6.141 1.00 11.21 H new ATOM 0 HA ASP A 34 3.923 0.034 -8.129 1.00 74.42 H new ATOM 0 HB2 ASP A 34 5.470 -0.443 -5.561 1.00 43.03 H new ATOM 0 HB3 ASP A 34 6.075 0.616 -6.820 1.00 43.03 H new ATOM 504 N ILE A 35 5.096 -1.777 -9.474 1.00 14.24 N ATOM 505 CA ILE A 35 5.967 -2.568 -10.333 1.00 61.03 C ATOM 506 C ILE A 35 7.272 -1.833 -10.619 1.00 2.11 C ATOM 507 O ILE A 35 7.278 -0.625 -10.857 1.00 63.15 O ATOM 508 CB ILE A 35 5.281 -2.910 -11.669 1.00 14.11 C ATOM 509 CG1 ILE A 35 3.919 -3.560 -11.416 1.00 20.42 C ATOM 510 CG2 ILE A 35 6.166 -3.827 -12.500 1.00 34.03 C ATOM 511 CD1 ILE A 35 3.111 -3.781 -12.675 1.00 41.34 C ATOM 0 H ILE A 35 4.219 -1.492 -9.910 1.00 14.24 H new ATOM 0 HA ILE A 35 6.183 -3.492 -9.797 1.00 61.03 H new ATOM 0 HB ILE A 35 5.124 -1.987 -12.227 1.00 14.11 H new ATOM 0 HG12 ILE A 35 4.070 -4.518 -10.918 1.00 20.42 H new ATOM 0 HG13 ILE A 35 3.347 -2.932 -10.733 1.00 20.42 H new ATOM 0 HG21 ILE A 35 5.667 -4.059 -13.441 1.00 34.03 H new ATOM 0 HG22 ILE A 35 7.114 -3.330 -12.705 1.00 34.03 H new ATOM 0 HG23 ILE A 35 6.352 -4.750 -11.950 1.00 34.03 H new ATOM 0 HD11 ILE A 35 2.158 -4.245 -12.419 1.00 41.34 H new ATOM 0 HD12 ILE A 35 2.929 -2.824 -13.163 1.00 41.34 H new ATOM 0 HD13 ILE A 35 3.663 -4.434 -13.351 1.00 41.34 H new ATOM 523 N LYS A 36 8.377 -2.570 -10.595 1.00 24.02 N ATOM 524 CA LYS A 36 9.690 -1.990 -10.854 1.00 60.52 C ATOM 525 C LYS A 36 10.512 -2.893 -11.769 1.00 2.04 C ATOM 526 O LYS A 36 10.261 -4.094 -11.858 1.00 74.24 O ATOM 527 CB LYS A 36 10.438 -1.762 -9.539 1.00 1.31 C ATOM 528 CG LYS A 36 11.130 -0.412 -9.459 1.00 55.43 C ATOM 529 CD LYS A 36 10.410 0.528 -8.506 1.00 24.11 C ATOM 530 CE LYS A 36 11.227 0.777 -7.247 1.00 32.52 C ATOM 531 NZ LYS A 36 10.777 2.000 -6.527 1.00 32.35 N ATOM 0 H LYS A 36 8.390 -3.571 -10.399 1.00 24.02 H new ATOM 0 HA LYS A 36 9.545 -1.032 -11.353 1.00 60.52 H new ATOM 0 HB2 LYS A 36 9.735 -1.850 -8.711 1.00 1.31 H new ATOM 0 HB3 LYS A 36 11.181 -2.550 -9.412 1.00 1.31 H new ATOM 0 HG2 LYS A 36 12.159 -0.549 -9.128 1.00 55.43 H new ATOM 0 HG3 LYS A 36 11.171 0.036 -10.452 1.00 55.43 H new ATOM 0 HD2 LYS A 36 10.213 1.476 -9.007 1.00 24.11 H new ATOM 0 HD3 LYS A 36 9.443 0.104 -8.236 1.00 24.11 H new ATOM 0 HE2 LYS A 36 11.146 -0.085 -6.585 1.00 32.52 H new ATOM 0 HE3 LYS A 36 12.280 0.878 -7.511 1.00 32.52 H new ATOM 0 HZ1 LYS A 36 11.358 2.135 -5.675 1.00 32.35 H new ATOM 0 HZ2 LYS A 36 10.878 2.827 -7.150 1.00 32.35 H new ATOM 0 HZ3 LYS A 36 9.780 1.894 -6.252 1.00 32.35 H new ATOM 545 N GLN A 37 11.496 -2.306 -12.443 1.00 75.12 N ATOM 546 CA GLN A 37 12.355 -3.059 -13.350 1.00 14.43 C ATOM 547 C GLN A 37 13.793 -2.558 -13.278 1.00 3.33 C ATOM 548 O GLN A 37 14.104 -1.464 -13.750 1.00 41.22 O ATOM 549 CB GLN A 37 11.836 -2.951 -14.785 1.00 32.33 C ATOM 550 CG GLN A 37 10.478 -3.603 -14.991 1.00 62.21 C ATOM 551 CD GLN A 37 10.415 -4.431 -16.260 1.00 1.04 C ATOM 552 OE1 GLN A 37 9.373 -4.218 -17.055 1.00 51.41 O flip ATOM 553 NE2 GLN A 37 11.293 -5.254 -16.522 1.00 3.41 N flip ATOM 0 H GLN A 37 11.718 -1.313 -12.378 1.00 75.12 H new ATOM 0 HA GLN A 37 12.338 -4.105 -13.043 1.00 14.43 H new ATOM 0 HB2 GLN A 37 11.770 -1.898 -15.061 1.00 32.33 H new ATOM 0 HB3 GLN A 37 12.557 -3.412 -15.459 1.00 32.33 H new ATOM 0 HG2 GLN A 37 10.251 -4.239 -14.135 1.00 62.21 H new ATOM 0 HG3 GLN A 37 9.710 -2.830 -15.027 1.00 62.21 H new ATOM 0 HE21 GLN A 37 12.076 -5.385 -15.882 1.00 3.41 H new ATOM 0 HE22 GLN A 37 11.237 -5.804 -17.379 1.00 3.41 H new ATOM 562 N ILE A 38 14.666 -3.364 -12.684 1.00 24.22 N ATOM 563 CA ILE A 38 16.072 -3.002 -12.551 1.00 61.41 C ATOM 564 C ILE A 38 16.974 -4.213 -12.766 1.00 60.04 C ATOM 565 O ILE A 38 16.500 -5.346 -12.858 1.00 5.13 O ATOM 566 CB ILE A 38 16.369 -2.395 -11.167 1.00 51.03 C ATOM 567 CG1 ILE A 38 16.562 -3.503 -10.130 1.00 74.43 C ATOM 568 CG2 ILE A 38 15.245 -1.459 -10.748 1.00 22.14 C ATOM 569 CD1 ILE A 38 15.407 -4.478 -10.066 1.00 71.42 C ATOM 0 H ILE A 38 14.425 -4.272 -12.287 1.00 24.22 H new ATOM 0 HA ILE A 38 16.279 -2.256 -13.318 1.00 61.41 H new ATOM 0 HB ILE A 38 17.292 -1.818 -11.230 1.00 51.03 H new ATOM 0 HG12 ILE A 38 17.476 -4.050 -10.360 1.00 74.43 H new ATOM 0 HG13 ILE A 38 16.700 -3.051 -9.148 1.00 74.43 H new ATOM 0 HG21 ILE A 38 15.469 -1.038 -9.768 1.00 22.14 H new ATOM 0 HG22 ILE A 38 15.151 -0.654 -11.477 1.00 22.14 H new ATOM 0 HG23 ILE A 38 14.308 -2.014 -10.699 1.00 22.14 H new ATOM 0 HD11 ILE A 38 15.612 -5.236 -9.310 1.00 71.42 H new ATOM 0 HD12 ILE A 38 14.494 -3.943 -9.805 1.00 71.42 H new ATOM 0 HD13 ILE A 38 15.282 -4.958 -11.036 1.00 71.42 H new ATOM 581 N LYS A 39 18.277 -3.966 -12.845 1.00 62.41 N ATOM 582 CA LYS A 39 19.248 -5.036 -13.046 1.00 50.44 C ATOM 583 C LYS A 39 19.349 -5.919 -11.807 1.00 60.11 C ATOM 584 O LYS A 39 19.130 -5.459 -10.686 1.00 73.11 O ATOM 585 CB LYS A 39 20.621 -4.449 -13.381 1.00 63.10 C ATOM 586 CG LYS A 39 20.687 -3.799 -14.752 1.00 3.51 C ATOM 587 CD LYS A 39 22.113 -3.745 -15.276 1.00 34.31 C ATOM 588 CE LYS A 39 22.226 -2.840 -16.493 1.00 14.43 C ATOM 589 NZ LYS A 39 22.386 -1.410 -16.107 1.00 60.22 N ATOM 0 H LYS A 39 18.685 -3.034 -12.773 1.00 62.41 H new ATOM 0 HA LYS A 39 18.908 -5.650 -13.880 1.00 50.44 H new ATOM 0 HB2 LYS A 39 20.885 -3.710 -12.625 1.00 63.10 H new ATOM 0 HB3 LYS A 39 21.368 -5.241 -13.327 1.00 63.10 H new ATOM 0 HG2 LYS A 39 20.063 -4.356 -15.450 1.00 3.51 H new ATOM 0 HG3 LYS A 39 20.280 -2.789 -14.697 1.00 3.51 H new ATOM 0 HD2 LYS A 39 22.777 -3.384 -14.490 1.00 34.31 H new ATOM 0 HD3 LYS A 39 22.444 -4.750 -15.537 1.00 34.31 H new ATOM 0 HE2 LYS A 39 23.077 -3.150 -17.099 1.00 14.43 H new ATOM 0 HE3 LYS A 39 21.336 -2.952 -17.113 1.00 14.43 H new ATOM 0 HZ1 LYS A 39 22.460 -0.825 -16.964 1.00 60.22 H new ATOM 0 HZ2 LYS A 39 21.562 -1.106 -15.550 1.00 60.22 H new ATOM 0 HZ3 LYS A 39 23.249 -1.299 -15.537 1.00 60.22 H new ATOM 603 N ILE A 40 19.683 -7.188 -12.016 1.00 44.14 N ATOM 604 CA ILE A 40 19.816 -8.134 -10.915 1.00 71.05 C ATOM 605 C ILE A 40 20.647 -7.545 -9.781 1.00 45.32 C ATOM 606 O ILE A 40 20.205 -7.493 -8.633 1.00 60.40 O ATOM 607 CB ILE A 40 20.463 -9.452 -11.380 1.00 43.25 C ATOM 608 CG1 ILE A 40 19.629 -10.090 -12.493 1.00 64.32 C ATOM 609 CG2 ILE A 40 20.615 -10.410 -10.208 1.00 52.15 C ATOM 610 CD1 ILE A 40 18.257 -10.535 -12.040 1.00 34.32 C ATOM 0 H ILE A 40 19.866 -7.585 -12.938 1.00 44.14 H new ATOM 0 HA ILE A 40 18.809 -8.341 -10.554 1.00 71.05 H new ATOM 0 HB ILE A 40 21.455 -9.233 -11.775 1.00 43.25 H new ATOM 0 HG12 ILE A 40 19.519 -9.376 -13.309 1.00 64.32 H new ATOM 0 HG13 ILE A 40 20.167 -10.950 -12.892 1.00 64.32 H new ATOM 0 HG21 ILE A 40 21.074 -11.337 -10.553 1.00 52.15 H new ATOM 0 HG22 ILE A 40 21.246 -9.954 -9.445 1.00 52.15 H new ATOM 0 HG23 ILE A 40 19.634 -10.626 -9.785 1.00 52.15 H new ATOM 0 HD11 ILE A 40 17.722 -10.978 -12.880 1.00 34.32 H new ATOM 0 HD12 ILE A 40 18.358 -11.274 -11.245 1.00 34.32 H new ATOM 0 HD13 ILE A 40 17.700 -9.675 -11.668 1.00 34.32 H new ATOM 622 N THR A 41 21.856 -7.098 -10.111 1.00 33.24 N ATOM 623 CA THR A 41 22.750 -6.511 -9.120 1.00 73.35 C ATOM 624 C THR A 41 22.137 -5.261 -8.499 1.00 64.13 C ATOM 625 O THR A 41 22.403 -4.939 -7.342 1.00 33.12 O ATOM 626 CB THR A 41 24.113 -6.148 -9.739 1.00 73.45 C ATOM 627 OG1 THR A 41 25.004 -5.679 -8.721 1.00 73.24 O ATOM 628 CG2 THR A 41 23.953 -5.081 -10.812 1.00 21.41 C ATOM 0 H THR A 41 22.238 -7.132 -11.056 1.00 33.24 H new ATOM 0 HA THR A 41 22.900 -7.262 -8.345 1.00 73.35 H new ATOM 0 HB THR A 41 24.529 -7.044 -10.200 1.00 73.45 H new ATOM 0 HG1 THR A 41 25.869 -5.452 -9.122 1.00 73.24 H new ATOM 0 HG21 THR A 41 24.929 -4.841 -11.235 1.00 21.41 H new ATOM 0 HG22 THR A 41 23.298 -5.453 -11.600 1.00 21.41 H new ATOM 0 HG23 THR A 41 23.518 -4.184 -10.371 1.00 21.41 H new ATOM 636 N GLU A 42 21.317 -4.561 -9.276 1.00 52.13 N ATOM 637 CA GLU A 42 20.667 -3.345 -8.800 1.00 61.34 C ATOM 638 C GLU A 42 19.635 -3.666 -7.724 1.00 15.04 C ATOM 639 O GLU A 42 19.132 -2.771 -7.043 1.00 62.41 O ATOM 640 CB GLU A 42 19.996 -2.610 -9.963 1.00 24.41 C ATOM 641 CG GLU A 42 20.754 -1.375 -10.420 1.00 13.22 C ATOM 642 CD GLU A 42 22.221 -1.653 -10.680 1.00 63.23 C ATOM 643 OE1 GLU A 42 22.569 -1.976 -11.835 1.00 73.03 O ATOM 644 OE2 GLU A 42 23.023 -1.548 -9.728 1.00 54.30 O ATOM 0 H GLU A 42 21.087 -4.814 -10.237 1.00 52.13 H new ATOM 0 HA GLU A 42 21.431 -2.701 -8.365 1.00 61.34 H new ATOM 0 HB2 GLU A 42 19.894 -3.295 -10.804 1.00 24.41 H new ATOM 0 HB3 GLU A 42 18.989 -2.318 -9.665 1.00 24.41 H new ATOM 0 HG2 GLU A 42 20.295 -0.988 -11.330 1.00 13.22 H new ATOM 0 HG3 GLU A 42 20.664 -0.597 -9.662 1.00 13.22 H new ATOM 651 N VAL A 43 19.322 -4.949 -7.575 1.00 72.44 N ATOM 652 CA VAL A 43 18.350 -5.390 -6.582 1.00 12.32 C ATOM 653 C VAL A 43 19.026 -5.696 -5.250 1.00 73.41 C ATOM 654 O VAL A 43 18.636 -6.625 -4.544 1.00 30.14 O ATOM 655 CB VAL A 43 17.587 -6.640 -7.058 1.00 64.31 C ATOM 656 CG1 VAL A 43 16.311 -6.827 -6.253 1.00 15.53 C ATOM 657 CG2 VAL A 43 17.280 -6.542 -8.545 1.00 23.52 C ATOM 0 H VAL A 43 19.728 -5.702 -8.130 1.00 72.44 H new ATOM 0 HA VAL A 43 17.642 -4.572 -6.448 1.00 12.32 H new ATOM 0 HB VAL A 43 18.219 -7.513 -6.897 1.00 64.31 H new ATOM 0 HG11 VAL A 43 15.786 -7.715 -6.604 1.00 15.53 H new ATOM 0 HG12 VAL A 43 16.560 -6.946 -5.199 1.00 15.53 H new ATOM 0 HG13 VAL A 43 15.671 -5.954 -6.378 1.00 15.53 H new ATOM 0 HG21 VAL A 43 16.741 -7.434 -8.865 1.00 23.52 H new ATOM 0 HG22 VAL A 43 16.667 -5.660 -8.733 1.00 23.52 H new ATOM 0 HG23 VAL A 43 18.212 -6.462 -9.104 1.00 23.52 H new ATOM 667 N GLY A 44 20.042 -4.908 -4.913 1.00 21.21 N ATOM 668 CA GLY A 44 20.756 -5.111 -3.666 1.00 64.31 C ATOM 669 C GLY A 44 20.014 -4.543 -2.473 1.00 52.22 C ATOM 670 O GLY A 44 19.553 -5.273 -1.596 1.00 20.50 O ATOM 0 H GLY A 44 20.383 -4.133 -5.481 1.00 21.21 H new ATOM 0 HA2 GLY A 44 20.919 -6.178 -3.514 1.00 64.31 H new ATOM 0 HA3 GLY A 44 21.739 -4.645 -3.734 1.00 64.31 H new ATOM 674 N PRO A 45 19.891 -3.208 -2.429 1.00 54.12 N ATOM 675 CA PRO A 45 19.200 -2.512 -1.339 1.00 65.10 C ATOM 676 C PRO A 45 17.694 -2.748 -1.362 1.00 62.43 C ATOM 677 O PRO A 45 17.009 -2.545 -0.360 1.00 74.10 O ATOM 678 CB PRO A 45 19.515 -1.038 -1.604 1.00 53.32 C ATOM 679 CG PRO A 45 19.779 -0.964 -3.068 1.00 64.14 C ATOM 680 CD PRO A 45 20.415 -2.275 -3.441 1.00 2.04 C ATOM 0 HA PRO A 45 19.527 -2.863 -0.360 1.00 65.10 H new ATOM 0 HB2 PRO A 45 18.680 -0.398 -1.319 1.00 53.32 H new ATOM 0 HB3 PRO A 45 20.380 -0.708 -1.029 1.00 53.32 H new ATOM 0 HG2 PRO A 45 18.855 -0.807 -3.624 1.00 64.14 H new ATOM 0 HG3 PRO A 45 20.439 -0.129 -3.304 1.00 64.14 H new ATOM 0 HD2 PRO A 45 20.141 -2.582 -4.450 1.00 2.04 H new ATOM 0 HD3 PRO A 45 21.503 -2.217 -3.409 1.00 2.04 H new ATOM 688 N TYR A 46 17.185 -3.179 -2.511 1.00 44.24 N ATOM 689 CA TYR A 46 15.759 -3.441 -2.665 1.00 44.13 C ATOM 690 C TYR A 46 15.439 -4.903 -2.370 1.00 2.02 C ATOM 691 O TYR A 46 14.595 -5.510 -3.028 1.00 43.44 O ATOM 692 CB TYR A 46 15.304 -3.083 -4.081 1.00 73.40 C ATOM 693 CG TYR A 46 15.662 -1.674 -4.495 1.00 11.13 C ATOM 694 CD1 TYR A 46 15.210 -0.580 -3.768 1.00 14.43 C ATOM 695 CD2 TYR A 46 16.452 -1.436 -5.613 1.00 33.43 C ATOM 696 CE1 TYR A 46 15.534 0.710 -4.142 1.00 53.12 C ATOM 697 CE2 TYR A 46 16.782 -0.150 -5.994 1.00 21.33 C ATOM 698 CZ TYR A 46 16.321 0.920 -5.255 1.00 75.55 C ATOM 699 OH TYR A 46 16.646 2.202 -5.633 1.00 2.34 O ATOM 0 H TYR A 46 17.739 -3.354 -3.349 1.00 44.24 H new ATOM 0 HA TYR A 46 15.221 -2.819 -1.949 1.00 44.13 H new ATOM 0 HB2 TYR A 46 15.752 -3.784 -4.785 1.00 73.40 H new ATOM 0 HB3 TYR A 46 14.223 -3.209 -4.149 1.00 73.40 H new ATOM 0 HD1 TYR A 46 14.595 -0.741 -2.895 1.00 14.43 H new ATOM 0 HD2 TYR A 46 16.814 -2.271 -6.194 1.00 33.43 H new ATOM 0 HE1 TYR A 46 15.173 1.549 -3.566 1.00 53.12 H new ATOM 0 HE2 TYR A 46 17.398 0.017 -6.866 1.00 21.33 H new ATOM 0 HH TYR A 46 17.207 2.174 -6.436 1.00 2.34 H new ATOM 709 N GLU A 47 16.120 -5.461 -1.374 1.00 32.43 N ATOM 710 CA GLU A 47 15.908 -6.852 -0.990 1.00 63.45 C ATOM 711 C GLU A 47 14.889 -6.956 0.140 1.00 21.15 C ATOM 712 O GLU A 47 13.928 -7.720 0.056 1.00 74.42 O ATOM 713 CB GLU A 47 17.230 -7.493 -0.561 1.00 51.11 C ATOM 714 CG GLU A 47 18.047 -8.038 -1.720 1.00 42.44 C ATOM 715 CD GLU A 47 17.268 -9.021 -2.572 1.00 40.44 C ATOM 716 OE1 GLU A 47 17.501 -9.056 -3.799 1.00 20.31 O ATOM 717 OE2 GLU A 47 16.426 -9.754 -2.014 1.00 13.45 O ATOM 0 H GLU A 47 16.822 -4.972 -0.819 1.00 32.43 H new ATOM 0 HA GLU A 47 15.518 -7.386 -1.857 1.00 63.45 H new ATOM 0 HB2 GLU A 47 17.825 -6.754 -0.024 1.00 51.11 H new ATOM 0 HB3 GLU A 47 17.021 -8.303 0.138 1.00 51.11 H new ATOM 0 HG2 GLU A 47 18.383 -7.210 -2.344 1.00 42.44 H new ATOM 0 HG3 GLU A 47 18.940 -8.528 -1.332 1.00 42.44 H new ATOM 724 N ASP A 48 15.107 -6.183 1.198 1.00 3.42 N ATOM 725 CA ASP A 48 14.208 -6.186 2.347 1.00 64.25 C ATOM 726 C ASP A 48 13.028 -5.247 2.116 1.00 63.52 C ATOM 727 O ASP A 48 11.873 -5.621 2.323 1.00 62.43 O ATOM 728 CB ASP A 48 14.962 -5.776 3.613 1.00 63.14 C ATOM 729 CG ASP A 48 15.765 -4.504 3.422 1.00 63.41 C ATOM 730 OD1 ASP A 48 15.261 -3.423 3.792 1.00 64.02 O ATOM 731 OD2 ASP A 48 16.898 -4.591 2.904 1.00 50.44 O ATOM 0 H ASP A 48 15.899 -5.546 1.284 1.00 3.42 H new ATOM 0 HA ASP A 48 13.824 -7.198 2.474 1.00 64.25 H new ATOM 0 HB2 ASP A 48 14.250 -5.634 4.426 1.00 63.14 H new ATOM 0 HB3 ASP A 48 15.631 -6.583 3.912 1.00 63.14 H new ATOM 736 N THR A 49 13.326 -4.025 1.687 1.00 40.14 N ATOM 737 CA THR A 49 12.291 -3.032 1.430 1.00 52.30 C ATOM 738 C THR A 49 11.208 -3.590 0.513 1.00 24.01 C ATOM 739 O THR A 49 10.031 -3.616 0.871 1.00 43.53 O ATOM 740 CB THR A 49 12.879 -1.758 0.794 1.00 24.13 C ATOM 741 OG1 THR A 49 13.582 -2.090 -0.408 1.00 73.55 O ATOM 742 CG2 THR A 49 13.822 -1.057 1.761 1.00 50.12 C ATOM 0 H THR A 49 14.276 -3.699 1.510 1.00 40.14 H new ATOM 0 HA THR A 49 11.852 -2.778 2.395 1.00 52.30 H new ATOM 0 HB THR A 49 12.056 -1.083 0.559 1.00 24.13 H new ATOM 0 HG1 THR A 49 14.312 -1.451 -0.547 1.00 73.55 H new ATOM 0 HG21 THR A 49 14.225 -0.160 1.290 1.00 50.12 H new ATOM 0 HG22 THR A 49 13.277 -0.780 2.664 1.00 50.12 H new ATOM 0 HG23 THR A 49 14.640 -1.728 2.023 1.00 50.12 H new ATOM 750 N ALA A 50 11.615 -4.037 -0.671 1.00 31.14 N ATOM 751 CA ALA A 50 10.680 -4.598 -1.638 1.00 15.23 C ATOM 752 C ALA A 50 9.830 -5.696 -1.007 1.00 13.53 C ATOM 753 O ALA A 50 10.205 -6.276 0.012 1.00 20.00 O ATOM 754 CB ALA A 50 11.430 -5.138 -2.846 1.00 41.31 C ATOM 0 H ALA A 50 12.586 -4.021 -0.983 1.00 31.14 H new ATOM 0 HA ALA A 50 10.013 -3.801 -1.965 1.00 15.23 H new ATOM 0 HB1 ALA A 50 10.719 -5.554 -3.560 1.00 41.31 H new ATOM 0 HB2 ALA A 50 11.988 -4.330 -3.319 1.00 41.31 H new ATOM 0 HB3 ALA A 50 12.121 -5.918 -2.526 1.00 41.31 H new ATOM 760 N ASP A 51 8.684 -5.975 -1.618 1.00 15.55 N ATOM 761 CA ASP A 51 7.780 -7.003 -1.115 1.00 61.34 C ATOM 762 C ASP A 51 7.980 -8.316 -1.867 1.00 54.31 C ATOM 763 O ASP A 51 8.174 -9.369 -1.258 1.00 53.15 O ATOM 764 CB ASP A 51 6.327 -6.543 -1.244 1.00 61.30 C ATOM 765 CG ASP A 51 6.030 -5.320 -0.400 1.00 4.44 C ATOM 766 OD1 ASP A 51 6.308 -4.195 -0.866 1.00 41.22 O ATOM 767 OD2 ASP A 51 5.520 -5.487 0.727 1.00 14.34 O ATOM 0 H ASP A 51 8.359 -5.504 -2.462 1.00 15.55 H new ATOM 0 HA ASP A 51 8.007 -7.169 -0.062 1.00 61.34 H new ATOM 0 HB2 ASP A 51 6.111 -6.321 -2.289 1.00 61.30 H new ATOM 0 HB3 ASP A 51 5.664 -7.356 -0.947 1.00 61.30 H new ATOM 772 N LEU A 52 7.930 -8.246 -3.193 1.00 15.43 N ATOM 773 CA LEU A 52 8.104 -9.429 -4.029 1.00 12.55 C ATOM 774 C LEU A 52 9.050 -9.140 -5.190 1.00 31.23 C ATOM 775 O LEU A 52 9.387 -7.986 -5.458 1.00 25.32 O ATOM 776 CB LEU A 52 6.751 -9.903 -4.563 1.00 64.03 C ATOM 777 CG LEU A 52 5.890 -10.708 -3.590 1.00 13.22 C ATOM 778 CD1 LEU A 52 4.567 -11.088 -4.237 1.00 30.23 C ATOM 779 CD2 LEU A 52 6.633 -11.950 -3.121 1.00 61.21 C ATOM 0 H LEU A 52 7.770 -7.383 -3.712 1.00 15.43 H new ATOM 0 HA LEU A 52 8.542 -10.217 -3.416 1.00 12.55 H new ATOM 0 HB2 LEU A 52 6.183 -9.029 -4.882 1.00 64.03 H new ATOM 0 HB3 LEU A 52 6.926 -10.511 -5.450 1.00 64.03 H new ATOM 0 HG LEU A 52 5.680 -10.085 -2.720 1.00 13.22 H new ATOM 0 HD11 LEU A 52 3.967 -11.661 -3.530 1.00 30.23 H new ATOM 0 HD12 LEU A 52 4.028 -10.184 -4.521 1.00 30.23 H new ATOM 0 HD13 LEU A 52 4.756 -11.692 -5.124 1.00 30.23 H new ATOM 0 HD21 LEU A 52 6.004 -12.510 -2.429 1.00 61.21 H new ATOM 0 HD22 LEU A 52 6.874 -12.576 -3.980 1.00 61.21 H new ATOM 0 HD23 LEU A 52 7.553 -11.655 -2.617 1.00 61.21 H new ATOM 791 N LEU A 53 9.473 -10.195 -5.877 1.00 71.32 N ATOM 792 CA LEU A 53 10.379 -10.056 -7.012 1.00 53.12 C ATOM 793 C LEU A 53 10.206 -11.212 -7.992 1.00 22.33 C ATOM 794 O LEU A 53 10.405 -12.375 -7.638 1.00 2.52 O ATOM 795 CB LEU A 53 11.828 -9.994 -6.528 1.00 65.33 C ATOM 796 CG LEU A 53 12.899 -9.956 -7.619 1.00 62.44 C ATOM 797 CD1 LEU A 53 12.604 -8.849 -8.619 1.00 11.33 C ATOM 798 CD2 LEU A 53 14.279 -9.770 -7.006 1.00 43.00 C ATOM 0 H LEU A 53 9.203 -11.156 -5.668 1.00 71.32 H new ATOM 0 HA LEU A 53 10.135 -9.128 -7.528 1.00 53.12 H new ATOM 0 HB2 LEU A 53 11.944 -9.109 -5.902 1.00 65.33 H new ATOM 0 HB3 LEU A 53 12.015 -10.860 -5.893 1.00 65.33 H new ATOM 0 HG LEU A 53 12.884 -10.909 -8.148 1.00 62.44 H new ATOM 0 HD11 LEU A 53 13.377 -8.838 -9.388 1.00 11.33 H new ATOM 0 HD12 LEU A 53 11.634 -9.027 -9.083 1.00 11.33 H new ATOM 0 HD13 LEU A 53 12.590 -7.888 -8.104 1.00 11.33 H new ATOM 0 HD21 LEU A 53 15.028 -9.745 -7.797 1.00 43.00 H new ATOM 0 HD22 LEU A 53 14.307 -8.833 -6.450 1.00 43.00 H new ATOM 0 HD23 LEU A 53 14.492 -10.599 -6.331 1.00 43.00 H new ATOM 810 N VAL A 54 9.837 -10.886 -9.226 1.00 54.51 N ATOM 811 CA VAL A 54 9.641 -11.896 -10.258 1.00 73.44 C ATOM 812 C VAL A 54 10.850 -11.979 -11.183 1.00 53.34 C ATOM 813 O VAL A 54 11.318 -10.966 -11.705 1.00 15.33 O ATOM 814 CB VAL A 54 8.384 -11.604 -11.099 1.00 52.31 C ATOM 815 CG1 VAL A 54 8.093 -12.759 -12.045 1.00 34.14 C ATOM 816 CG2 VAL A 54 7.191 -11.330 -10.196 1.00 10.43 C ATOM 0 H VAL A 54 9.668 -9.929 -9.536 1.00 54.51 H new ATOM 0 HA VAL A 54 9.513 -12.850 -9.746 1.00 73.44 H new ATOM 0 HB VAL A 54 8.569 -10.713 -11.699 1.00 52.31 H new ATOM 0 HG11 VAL A 54 7.202 -12.534 -12.630 1.00 34.14 H new ATOM 0 HG12 VAL A 54 8.941 -12.903 -12.715 1.00 34.14 H new ATOM 0 HG13 VAL A 54 7.928 -13.669 -11.468 1.00 34.14 H new ATOM 0 HG21 VAL A 54 6.312 -11.126 -10.807 1.00 10.43 H new ATOM 0 HG22 VAL A 54 7.002 -12.201 -9.568 1.00 10.43 H new ATOM 0 HG23 VAL A 54 7.403 -10.467 -9.565 1.00 10.43 H new ATOM 826 N THR A 55 11.353 -13.193 -11.384 1.00 53.14 N ATOM 827 CA THR A 55 12.508 -13.409 -12.246 1.00 50.53 C ATOM 828 C THR A 55 12.529 -14.832 -12.792 1.00 52.31 C ATOM 829 O THR A 55 11.897 -15.731 -12.236 1.00 40.22 O ATOM 830 CB THR A 55 13.826 -13.139 -11.496 1.00 63.14 C ATOM 831 OG1 THR A 55 14.940 -13.520 -12.312 1.00 2.33 O ATOM 832 CG2 THR A 55 13.868 -13.905 -10.183 1.00 12.23 C ATOM 0 H THR A 55 10.978 -14.042 -10.961 1.00 53.14 H new ATOM 0 HA THR A 55 12.419 -12.707 -13.075 1.00 50.53 H new ATOM 0 HB THR A 55 13.883 -12.073 -11.278 1.00 63.14 H new ATOM 0 HG1 THR A 55 15.458 -12.723 -12.551 1.00 2.33 H new ATOM 0 HG21 THR A 55 14.808 -13.699 -9.671 1.00 12.23 H new ATOM 0 HG22 THR A 55 13.035 -13.593 -9.553 1.00 12.23 H new ATOM 0 HG23 THR A 55 13.791 -14.974 -10.383 1.00 12.23 H new ATOM 840 N THR A 56 13.260 -15.031 -13.884 1.00 71.14 N ATOM 841 CA THR A 56 13.363 -16.345 -14.506 1.00 33.41 C ATOM 842 C THR A 56 14.683 -17.020 -14.150 1.00 53.14 C ATOM 843 O THR A 56 14.725 -18.220 -13.883 1.00 71.30 O ATOM 844 CB THR A 56 13.243 -16.253 -16.039 1.00 10.12 C ATOM 845 OG1 THR A 56 14.425 -15.660 -16.588 1.00 1.24 O ATOM 846 CG2 THR A 56 12.026 -15.433 -16.438 1.00 13.50 C ATOM 0 H THR A 56 13.790 -14.298 -14.356 1.00 71.14 H new ATOM 0 HA THR A 56 12.537 -16.942 -14.120 1.00 33.41 H new ATOM 0 HB THR A 56 13.126 -17.262 -16.434 1.00 10.12 H new ATOM 0 HG1 THR A 56 14.342 -15.607 -17.563 1.00 1.24 H new ATOM 0 HG21 THR A 56 11.962 -15.382 -17.525 1.00 13.50 H new ATOM 0 HG22 THR A 56 11.125 -15.903 -16.043 1.00 13.50 H new ATOM 0 HG23 THR A 56 12.117 -14.425 -16.032 1.00 13.50 H new ATOM 854 N ALA A 57 15.759 -16.240 -14.149 1.00 12.02 N ATOM 855 CA ALA A 57 17.080 -16.762 -13.823 1.00 62.12 C ATOM 856 C ALA A 57 17.064 -17.506 -12.492 1.00 72.23 C ATOM 857 O ALA A 57 16.207 -17.261 -11.644 1.00 10.52 O ATOM 858 CB ALA A 57 18.099 -15.633 -13.786 1.00 64.14 C ATOM 0 H ALA A 57 15.742 -15.244 -14.370 1.00 12.02 H new ATOM 0 HA ALA A 57 17.366 -17.470 -14.601 1.00 62.12 H new ATOM 0 HB1 ALA A 57 19.081 -16.037 -13.541 1.00 64.14 H new ATOM 0 HB2 ALA A 57 18.139 -15.147 -14.761 1.00 64.14 H new ATOM 0 HB3 ALA A 57 17.808 -14.905 -13.029 1.00 64.14 H new ATOM 954 N TYR A 63 17.895 -14.487 -1.375 1.00 40.21 N ATOM 955 CA TYR A 63 16.988 -13.352 -1.498 1.00 4.51 C ATOM 956 C TYR A 63 16.268 -13.084 -0.180 1.00 23.33 C ATOM 957 O TYR A 63 16.283 -13.915 0.729 1.00 13.53 O ATOM 958 CB TYR A 63 15.967 -13.606 -2.608 1.00 12.44 C ATOM 959 CG TYR A 63 16.507 -13.355 -3.997 1.00 42.23 C ATOM 960 CD1 TYR A 63 16.577 -14.380 -4.932 1.00 70.42 C ATOM 961 CD2 TYR A 63 16.949 -12.093 -4.375 1.00 52.12 C ATOM 962 CE1 TYR A 63 17.071 -14.156 -6.203 1.00 34.21 C ATOM 963 CE2 TYR A 63 17.443 -11.859 -5.644 1.00 35.20 C ATOM 964 CZ TYR A 63 17.502 -12.894 -6.554 1.00 54.01 C ATOM 965 OH TYR A 63 17.994 -12.666 -7.819 1.00 1.44 O ATOM 0 HA TYR A 63 17.580 -12.473 -1.752 1.00 4.51 H new ATOM 0 HB2 TYR A 63 15.621 -14.638 -2.543 1.00 12.44 H new ATOM 0 HB3 TYR A 63 15.099 -12.968 -2.444 1.00 12.44 H new ATOM 0 HD1 TYR A 63 16.239 -15.369 -4.661 1.00 70.42 H new ATOM 0 HD2 TYR A 63 16.906 -11.281 -3.664 1.00 52.12 H new ATOM 0 HE1 TYR A 63 17.119 -14.965 -6.917 1.00 34.21 H new ATOM 0 HE2 TYR A 63 17.781 -10.872 -5.922 1.00 35.20 H new ATOM 0 HH TYR A 63 18.253 -11.725 -7.904 1.00 1.44 H new ATOM 975 N LYS A 64 15.638 -11.919 -0.083 1.00 52.34 N ATOM 976 CA LYS A 64 14.909 -11.540 1.121 1.00 3.43 C ATOM 977 C LYS A 64 13.404 -11.569 0.879 1.00 73.13 C ATOM 978 O LYS A 64 12.669 -10.712 1.370 1.00 73.12 O ATOM 979 CB LYS A 64 15.335 -10.144 1.582 1.00 41.54 C ATOM 980 CG LYS A 64 16.743 -10.093 2.149 1.00 30.33 C ATOM 981 CD LYS A 64 16.774 -10.534 3.603 1.00 10.42 C ATOM 982 CE LYS A 64 16.461 -9.379 4.542 1.00 15.31 C ATOM 983 NZ LYS A 64 17.671 -8.567 4.847 1.00 65.31 N ATOM 0 H LYS A 64 15.618 -11.220 -0.825 1.00 52.34 H new ATOM 0 HA LYS A 64 15.147 -12.263 1.901 1.00 3.43 H new ATOM 0 HB2 LYS A 64 15.267 -9.456 0.739 1.00 41.54 H new ATOM 0 HB3 LYS A 64 14.635 -9.791 2.339 1.00 41.54 H new ATOM 0 HG2 LYS A 64 17.397 -10.735 1.559 1.00 30.33 H new ATOM 0 HG3 LYS A 64 17.133 -9.078 2.067 1.00 30.33 H new ATOM 0 HD2 LYS A 64 16.051 -11.336 3.757 1.00 10.42 H new ATOM 0 HD3 LYS A 64 17.757 -10.941 3.840 1.00 10.42 H new ATOM 0 HE2 LYS A 64 15.700 -8.741 4.092 1.00 15.31 H new ATOM 0 HE3 LYS A 64 16.042 -9.769 5.470 1.00 15.31 H new ATOM 0 HZ1 LYS A 64 17.415 -7.790 5.490 1.00 65.31 H new ATOM 0 HZ2 LYS A 64 18.388 -9.169 5.300 1.00 65.31 H new ATOM 0 HZ3 LYS A 64 18.056 -8.173 3.965 1.00 65.31 H new ATOM 997 N PHE A 65 12.951 -12.561 0.120 1.00 74.35 N ATOM 998 CA PHE A 65 11.532 -12.703 -0.188 1.00 1.44 C ATOM 999 C PHE A 65 11.282 -13.937 -1.049 1.00 24.21 C ATOM 1000 O PHE A 65 12.183 -14.459 -1.706 1.00 61.23 O ATOM 1001 CB PHE A 65 11.017 -11.453 -0.906 1.00 21.45 C ATOM 1002 CG PHE A 65 12.019 -10.846 -1.845 1.00 4.33 C ATOM 1003 CD1 PHE A 65 12.447 -9.539 -1.672 1.00 72.12 C ATOM 1004 CD2 PHE A 65 12.534 -11.581 -2.900 1.00 72.14 C ATOM 1005 CE1 PHE A 65 13.369 -8.977 -2.534 1.00 43.15 C ATOM 1006 CE2 PHE A 65 13.457 -11.024 -3.766 1.00 32.45 C ATOM 1007 CZ PHE A 65 13.874 -9.720 -3.583 1.00 61.41 C ATOM 0 H PHE A 65 13.546 -13.279 -0.294 1.00 74.35 H new ATOM 0 HA PHE A 65 10.992 -12.823 0.752 1.00 1.44 H new ATOM 0 HB2 PHE A 65 10.117 -11.709 -1.464 1.00 21.45 H new ATOM 0 HB3 PHE A 65 10.730 -10.709 -0.163 1.00 21.45 H new ATOM 0 HD1 PHE A 65 12.055 -8.953 -0.854 1.00 72.12 H new ATOM 0 HD2 PHE A 65 12.211 -12.601 -3.048 1.00 72.14 H new ATOM 0 HE1 PHE A 65 13.694 -7.958 -2.388 1.00 43.15 H new ATOM 0 HE2 PHE A 65 13.851 -11.608 -4.584 1.00 32.45 H new ATOM 0 HZ PHE A 65 14.594 -9.282 -4.259 1.00 61.41 H new ATOM 1017 N PRO A 66 10.030 -14.417 -1.046 1.00 13.33 N ATOM 1018 CA PRO A 66 9.631 -15.595 -1.821 1.00 63.20 C ATOM 1019 C PRO A 66 9.630 -15.328 -3.322 1.00 72.13 C ATOM 1020 O PRO A 66 8.579 -15.100 -3.921 1.00 73.45 O ATOM 1021 CB PRO A 66 8.211 -15.881 -1.327 1.00 52.03 C ATOM 1022 CG PRO A 66 7.708 -14.567 -0.838 1.00 41.45 C ATOM 1023 CD PRO A 66 8.906 -13.845 -0.285 1.00 53.24 C ATOM 0 HA PRO A 66 10.321 -16.427 -1.681 1.00 63.20 H new ATOM 0 HB2 PRO A 66 7.584 -16.271 -2.129 1.00 52.03 H new ATOM 0 HB3 PRO A 66 8.211 -16.626 -0.531 1.00 52.03 H new ATOM 0 HG2 PRO A 66 7.249 -13.999 -1.647 1.00 41.45 H new ATOM 0 HG3 PRO A 66 6.945 -14.702 -0.071 1.00 41.45 H new ATOM 0 HD2 PRO A 66 8.829 -12.768 -0.431 1.00 53.24 H new ATOM 0 HD3 PRO A 66 9.018 -14.014 0.786 1.00 53.24 H new ATOM 1031 N VAL A 67 10.814 -15.358 -3.925 1.00 41.13 N ATOM 1032 CA VAL A 67 10.949 -15.121 -5.358 1.00 11.55 C ATOM 1033 C VAL A 67 10.001 -16.010 -6.154 1.00 30.33 C ATOM 1034 O VAL A 67 9.853 -17.197 -5.859 1.00 13.31 O ATOM 1035 CB VAL A 67 12.392 -15.370 -5.834 1.00 60.34 C ATOM 1036 CG1 VAL A 67 12.500 -15.168 -7.338 1.00 43.30 C ATOM 1037 CG2 VAL A 67 13.362 -14.462 -5.094 1.00 40.45 C ATOM 0 H VAL A 67 11.694 -15.544 -3.444 1.00 41.13 H new ATOM 0 HA VAL A 67 10.693 -14.076 -5.532 1.00 11.55 H new ATOM 0 HB VAL A 67 12.657 -16.403 -5.610 1.00 60.34 H new ATOM 0 HG11 VAL A 67 13.527 -15.348 -7.657 1.00 43.30 H new ATOM 0 HG12 VAL A 67 11.834 -15.865 -7.847 1.00 43.30 H new ATOM 0 HG13 VAL A 67 12.216 -14.146 -7.589 1.00 43.30 H new ATOM 0 HG21 VAL A 67 14.377 -14.652 -5.443 1.00 40.45 H new ATOM 0 HG22 VAL A 67 13.102 -13.421 -5.283 1.00 40.45 H new ATOM 0 HG23 VAL A 67 13.303 -14.662 -4.024 1.00 40.45 H new ATOM 1047 N ILE A 68 9.362 -15.430 -7.164 1.00 0.02 N ATOM 1048 CA ILE A 68 8.429 -16.171 -8.004 1.00 24.12 C ATOM 1049 C ILE A 68 8.980 -16.345 -9.415 1.00 53.03 C ATOM 1050 O ILE A 68 9.177 -15.371 -10.140 1.00 3.54 O ATOM 1051 CB ILE A 68 7.061 -15.468 -8.081 1.00 61.53 C ATOM 1052 CG1 ILE A 68 6.451 -15.337 -6.684 1.00 41.33 C ATOM 1053 CG2 ILE A 68 6.124 -16.234 -9.004 1.00 44.43 C ATOM 1054 CD1 ILE A 68 5.653 -14.066 -6.491 1.00 31.42 C ATOM 0 H ILE A 68 9.473 -14.449 -7.421 1.00 0.02 H new ATOM 0 HA ILE A 68 8.299 -17.151 -7.544 1.00 24.12 H new ATOM 0 HB ILE A 68 7.205 -14.468 -8.489 1.00 61.53 H new ATOM 0 HG12 ILE A 68 5.805 -16.194 -6.496 1.00 41.33 H new ATOM 0 HG13 ILE A 68 7.249 -15.371 -5.943 1.00 41.33 H new ATOM 0 HG21 ILE A 68 5.161 -15.725 -9.049 1.00 44.43 H new ATOM 0 HG22 ILE A 68 6.556 -16.281 -10.004 1.00 44.43 H new ATOM 0 HG23 ILE A 68 5.983 -17.245 -8.622 1.00 44.43 H new ATOM 0 HD11 ILE A 68 5.250 -14.040 -5.479 1.00 31.42 H new ATOM 0 HD12 ILE A 68 6.300 -13.203 -6.647 1.00 31.42 H new ATOM 0 HD13 ILE A 68 4.833 -14.039 -7.209 1.00 31.42 H new ATOM 1066 N ASN A 69 9.223 -17.594 -9.800 1.00 4.32 N ATOM 1067 CA ASN A 69 9.750 -17.896 -11.126 1.00 32.12 C ATOM 1068 C ASN A 69 8.832 -17.346 -12.214 1.00 25.13 C ATOM 1069 O ASN A 69 7.625 -17.584 -12.201 1.00 22.32 O ATOM 1070 CB ASN A 69 9.916 -19.407 -11.299 1.00 31.20 C ATOM 1071 CG ASN A 69 8.588 -20.140 -11.289 1.00 0.31 C ATOM 1072 OD1 ASN A 69 7.903 -20.220 -12.309 1.00 10.14 O ATOM 1073 ND2 ASN A 69 8.218 -20.678 -10.133 1.00 24.23 N ATOM 0 H ASN A 69 9.063 -18.413 -9.213 1.00 4.32 H new ATOM 0 HA ASN A 69 10.724 -17.417 -11.221 1.00 32.12 H new ATOM 0 HB2 ASN A 69 10.432 -19.608 -12.238 1.00 31.20 H new ATOM 0 HB3 ASN A 69 10.548 -19.794 -10.499 1.00 31.20 H new ATOM 0 HD21 ASN A 69 7.334 -21.182 -10.065 1.00 24.23 H new ATOM 0 HD22 ASN A 69 8.818 -20.587 -9.313 1.00 24.23 H new ATOM 1080 N ALA A 70 9.415 -16.610 -13.154 1.00 54.54 N ATOM 1081 CA ALA A 70 8.651 -16.028 -14.251 1.00 53.11 C ATOM 1082 C ALA A 70 8.692 -16.924 -15.484 1.00 53.34 C ATOM 1083 O ALA A 70 8.725 -16.438 -16.615 1.00 42.01 O ATOM 1084 CB ALA A 70 9.180 -14.641 -14.586 1.00 31.23 C ATOM 0 H ALA A 70 10.413 -16.403 -13.178 1.00 54.54 H new ATOM 0 HA ALA A 70 7.613 -15.941 -13.932 1.00 53.11 H new ATOM 0 HB1 ALA A 70 8.600 -14.219 -15.407 1.00 31.23 H new ATOM 0 HB2 ALA A 70 9.092 -13.997 -13.711 1.00 31.23 H new ATOM 0 HB3 ALA A 70 10.227 -14.712 -14.881 1.00 31.23 H new ATOM 1090 N ARG A 71 8.689 -18.233 -15.259 1.00 65.50 N ATOM 1091 CA ARG A 71 8.728 -19.197 -16.353 1.00 4.15 C ATOM 1092 C ARG A 71 7.404 -19.213 -17.110 1.00 61.13 C ATOM 1093 O ARG A 71 7.376 -19.390 -18.327 1.00 63.43 O ATOM 1094 CB ARG A 71 9.039 -20.596 -15.817 1.00 51.11 C ATOM 1095 CG ARG A 71 10.172 -20.623 -14.804 1.00 14.31 C ATOM 1096 CD ARG A 71 11.071 -21.832 -15.005 1.00 73.53 C ATOM 1097 NE ARG A 71 11.663 -22.289 -13.751 1.00 31.22 N ATOM 1098 CZ ARG A 71 12.309 -23.442 -13.620 1.00 72.51 C ATOM 1099 NH1 ARG A 71 12.445 -24.251 -14.662 1.00 24.43 N ATOM 1100 NH2 ARG A 71 12.820 -23.788 -12.446 1.00 23.44 N ATOM 0 H ARG A 71 8.660 -18.651 -14.329 1.00 65.50 H new ATOM 0 HA ARG A 71 9.517 -18.896 -17.042 1.00 4.15 H new ATOM 0 HB2 ARG A 71 8.141 -21.007 -15.356 1.00 51.11 H new ATOM 0 HB3 ARG A 71 9.295 -21.247 -16.653 1.00 51.11 H new ATOM 0 HG2 ARG A 71 10.762 -19.711 -14.892 1.00 14.31 H new ATOM 0 HG3 ARG A 71 9.759 -20.639 -13.795 1.00 14.31 H new ATOM 0 HD2 ARG A 71 10.494 -22.643 -15.450 1.00 73.53 H new ATOM 0 HD3 ARG A 71 11.864 -21.581 -15.710 1.00 73.53 H new ATOM 0 HE ARG A 71 11.576 -21.690 -12.930 1.00 31.22 H new ATOM 0 HH11 ARG A 71 12.053 -23.988 -15.566 1.00 24.43 H new ATOM 0 HH12 ARG A 71 12.942 -25.136 -14.559 1.00 24.43 H new ATOM 0 HH21 ARG A 71 12.717 -23.168 -11.642 1.00 23.44 H new ATOM 0 HH22 ARG A 71 13.316 -24.674 -12.347 1.00 23.44 H new ATOM 1114 N ASN A 72 6.309 -19.027 -16.381 1.00 74.10 N ATOM 1115 CA ASN A 72 4.981 -19.021 -16.984 1.00 73.42 C ATOM 1116 C ASN A 72 4.816 -17.833 -17.927 1.00 4.14 C ATOM 1117 O ASN A 72 3.953 -17.837 -18.804 1.00 72.41 O ATOM 1118 CB ASN A 72 3.904 -18.978 -15.898 1.00 5.34 C ATOM 1119 CG ASN A 72 3.687 -17.578 -15.355 1.00 62.31 C ATOM 1120 OD1 ASN A 72 4.359 -17.154 -14.414 1.00 75.04 O ATOM 1121 ND2 ASN A 72 2.745 -16.854 -15.948 1.00 10.15 N ATOM 0 H ASN A 72 6.315 -18.878 -15.372 1.00 74.10 H new ATOM 0 HA ASN A 72 4.868 -19.939 -17.561 1.00 73.42 H new ATOM 0 HB2 ASN A 72 2.966 -19.357 -16.305 1.00 5.34 H new ATOM 0 HB3 ASN A 72 4.188 -19.642 -15.081 1.00 5.34 H new ATOM 0 HD21 ASN A 72 2.553 -15.905 -15.627 1.00 10.15 H new ATOM 0 HD22 ASN A 72 2.213 -17.247 -16.725 1.00 10.15 H new ATOM 1128 N PHE A 73 5.651 -16.816 -17.739 1.00 64.30 N ATOM 1129 CA PHE A 73 5.599 -15.620 -18.572 1.00 20.32 C ATOM 1130 C PHE A 73 6.507 -15.765 -19.789 1.00 61.25 C ATOM 1131 O PHE A 73 7.172 -14.813 -20.200 1.00 14.33 O ATOM 1132 CB PHE A 73 6.008 -14.390 -17.760 1.00 41.50 C ATOM 1133 CG PHE A 73 4.989 -13.982 -16.735 1.00 11.40 C ATOM 1134 CD1 PHE A 73 4.984 -14.560 -15.476 1.00 15.42 C ATOM 1135 CD2 PHE A 73 4.036 -13.021 -17.031 1.00 13.51 C ATOM 1136 CE1 PHE A 73 4.047 -14.186 -14.530 1.00 22.30 C ATOM 1137 CE2 PHE A 73 3.097 -12.643 -16.089 1.00 42.12 C ATOM 1138 CZ PHE A 73 3.102 -13.227 -14.838 1.00 22.33 C ATOM 0 H PHE A 73 6.372 -16.796 -17.017 1.00 64.30 H new ATOM 0 HA PHE A 73 4.574 -15.493 -18.919 1.00 20.32 H new ATOM 0 HB2 PHE A 73 6.954 -14.594 -17.259 1.00 41.50 H new ATOM 0 HB3 PHE A 73 6.181 -13.556 -18.441 1.00 41.50 H new ATOM 0 HD1 PHE A 73 5.720 -15.311 -15.230 1.00 15.42 H new ATOM 0 HD2 PHE A 73 4.026 -12.562 -18.009 1.00 13.51 H new ATOM 0 HE1 PHE A 73 4.054 -14.643 -13.552 1.00 22.30 H new ATOM 0 HE2 PHE A 73 2.360 -11.892 -16.332 1.00 42.12 H new ATOM 0 HZ PHE A 73 2.368 -12.934 -14.102 1.00 22.33 H new ATOM 1148 N LEU A 74 6.531 -16.963 -20.363 1.00 31.32 N ATOM 1149 CA LEU A 74 7.358 -17.235 -21.534 1.00 14.13 C ATOM 1150 C LEU A 74 6.572 -18.010 -22.587 1.00 40.50 C ATOM 1151 O LEU A 74 6.348 -17.521 -23.695 1.00 40.30 O ATOM 1152 CB LEU A 74 8.605 -18.022 -21.130 1.00 62.50 C ATOM 1153 CG LEU A 74 9.890 -17.209 -20.970 1.00 11.20 C ATOM 1154 CD1 LEU A 74 10.948 -18.020 -20.238 1.00 14.24 C ATOM 1155 CD2 LEU A 74 10.407 -16.756 -22.328 1.00 24.53 C ATOM 0 H LEU A 74 5.987 -17.762 -20.037 1.00 31.32 H new ATOM 0 HA LEU A 74 7.662 -16.281 -21.964 1.00 14.13 H new ATOM 0 HB2 LEU A 74 8.400 -18.529 -20.187 1.00 62.50 H new ATOM 0 HB3 LEU A 74 8.779 -18.796 -21.877 1.00 62.50 H new ATOM 0 HG LEU A 74 9.665 -16.324 -20.375 1.00 11.20 H new ATOM 0 HD11 LEU A 74 11.855 -17.425 -20.134 1.00 14.24 H new ATOM 0 HD12 LEU A 74 10.578 -18.293 -19.250 1.00 14.24 H new ATOM 0 HD13 LEU A 74 11.170 -18.924 -20.805 1.00 14.24 H new ATOM 0 HD21 LEU A 74 11.322 -16.179 -22.195 1.00 24.53 H new ATOM 0 HD22 LEU A 74 10.615 -17.628 -22.948 1.00 24.53 H new ATOM 0 HD23 LEU A 74 9.655 -16.136 -22.815 1.00 24.53 H new ATOM 1207 N GLY A 78 -0.213 -18.773 -18.538 1.00 62.44 N ATOM 1208 CA GLY A 78 -0.990 -19.065 -17.348 1.00 3.12 C ATOM 1209 C GLY A 78 -0.709 -18.092 -16.220 1.00 24.44 C ATOM 1210 O GLY A 78 -0.542 -18.498 -15.069 1.00 33.01 O ATOM 0 HA2 GLY A 78 -2.051 -19.035 -17.594 1.00 3.12 H new ATOM 0 HA3 GLY A 78 -0.769 -20.079 -17.013 1.00 3.12 H new ATOM 1214 N ILE A 79 -0.654 -16.806 -16.549 1.00 24.40 N ATOM 1215 CA ILE A 79 -0.390 -15.774 -15.554 1.00 61.13 C ATOM 1216 C ILE A 79 -1.325 -15.912 -14.358 1.00 22.24 C ATOM 1217 O ILE A 79 -0.935 -15.650 -13.220 1.00 72.42 O ATOM 1218 CB ILE A 79 -0.545 -14.363 -16.152 1.00 63.43 C ATOM 1219 CG1 ILE A 79 0.370 -14.198 -17.368 1.00 13.11 C ATOM 1220 CG2 ILE A 79 -0.236 -13.306 -15.103 1.00 21.34 C ATOM 1221 CD1 ILE A 79 0.267 -12.837 -18.020 1.00 44.12 C ATOM 0 H ILE A 79 -0.789 -16.454 -17.497 1.00 24.40 H new ATOM 0 HA ILE A 79 0.640 -15.909 -15.225 1.00 61.13 H new ATOM 0 HB ILE A 79 -1.577 -14.233 -16.477 1.00 63.43 H new ATOM 0 HG12 ILE A 79 1.402 -14.368 -17.062 1.00 13.11 H new ATOM 0 HG13 ILE A 79 0.125 -14.964 -18.104 1.00 13.11 H new ATOM 0 HG21 ILE A 79 -0.350 -12.314 -15.541 1.00 21.34 H new ATOM 0 HG22 ILE A 79 -0.924 -13.414 -14.264 1.00 21.34 H new ATOM 0 HG23 ILE A 79 0.788 -13.431 -14.751 1.00 21.34 H new ATOM 0 HD11 ILE A 79 0.942 -12.791 -18.874 1.00 44.12 H new ATOM 0 HD12 ILE A 79 -0.756 -12.672 -18.357 1.00 44.12 H new ATOM 0 HD13 ILE A 79 0.541 -12.067 -17.299 1.00 44.12 H new ATOM 1233 N GLU A 80 -2.560 -16.327 -14.623 1.00 3.10 N ATOM 1234 CA GLU A 80 -3.550 -16.501 -13.567 1.00 1.22 C ATOM 1235 C GLU A 80 -3.026 -17.432 -12.477 1.00 43.04 C ATOM 1236 O GLU A 80 -3.311 -17.243 -11.295 1.00 43.35 O ATOM 1237 CB GLU A 80 -4.853 -17.057 -14.145 1.00 63.21 C ATOM 1238 CG GLU A 80 -4.706 -18.442 -14.753 1.00 52.23 C ATOM 1239 CD GLU A 80 -5.962 -18.901 -15.468 1.00 53.00 C ATOM 1240 OE1 GLU A 80 -7.068 -18.633 -14.954 1.00 14.14 O ATOM 1241 OE2 GLU A 80 -5.840 -19.528 -16.541 1.00 23.13 O ATOM 0 H GLU A 80 -2.898 -16.549 -15.559 1.00 3.10 H new ATOM 0 HA GLU A 80 -3.745 -15.525 -13.124 1.00 1.22 H new ATOM 0 HB2 GLU A 80 -5.604 -17.093 -13.356 1.00 63.21 H new ATOM 0 HB3 GLU A 80 -5.224 -16.372 -14.907 1.00 63.21 H new ATOM 0 HG2 GLU A 80 -3.873 -18.440 -15.456 1.00 52.23 H new ATOM 0 HG3 GLU A 80 -4.458 -19.155 -13.967 1.00 52.23 H new ATOM 1248 N GLU A 81 -2.258 -18.438 -12.886 1.00 15.03 N ATOM 1249 CA GLU A 81 -1.696 -19.399 -11.945 1.00 22.33 C ATOM 1250 C GLU A 81 -0.697 -18.724 -11.010 1.00 25.34 C ATOM 1251 O GLU A 81 -0.563 -19.104 -9.845 1.00 51.35 O ATOM 1252 CB GLU A 81 -1.014 -20.544 -12.697 1.00 41.12 C ATOM 1253 CG GLU A 81 -0.581 -21.690 -11.799 1.00 25.12 C ATOM 1254 CD GLU A 81 -0.524 -23.016 -12.532 1.00 21.45 C ATOM 1255 OE1 GLU A 81 -1.294 -23.929 -12.167 1.00 62.53 O ATOM 1256 OE2 GLU A 81 0.291 -23.141 -13.470 1.00 11.31 O ATOM 0 H GLU A 81 -2.012 -18.608 -13.861 1.00 15.03 H new ATOM 0 HA GLU A 81 -2.513 -19.803 -11.346 1.00 22.33 H new ATOM 0 HB2 GLU A 81 -1.697 -20.926 -13.456 1.00 41.12 H new ATOM 0 HB3 GLU A 81 -0.141 -20.154 -13.221 1.00 41.12 H new ATOM 0 HG2 GLU A 81 0.401 -21.468 -11.381 1.00 25.12 H new ATOM 0 HG3 GLU A 81 -1.273 -21.772 -10.961 1.00 25.12 H new ATOM 1263 N THR A 82 0.005 -17.721 -11.527 1.00 42.24 N ATOM 1264 CA THR A 82 0.993 -16.994 -10.741 1.00 45.41 C ATOM 1265 C THR A 82 0.344 -15.863 -9.951 1.00 50.14 C ATOM 1266 O THR A 82 0.793 -15.517 -8.859 1.00 4.33 O ATOM 1267 CB THR A 82 2.103 -16.409 -11.635 1.00 51.43 C ATOM 1268 OG1 THR A 82 2.453 -17.347 -12.659 1.00 13.21 O ATOM 1269 CG2 THR A 82 3.336 -16.064 -10.813 1.00 34.40 C ATOM 0 H THR A 82 -0.093 -17.393 -12.488 1.00 42.24 H new ATOM 0 HA THR A 82 1.434 -17.711 -10.048 1.00 45.41 H new ATOM 0 HB THR A 82 1.725 -15.495 -12.094 1.00 51.43 H new ATOM 0 HG1 THR A 82 3.372 -17.181 -12.955 1.00 13.21 H new ATOM 0 HG21 THR A 82 4.106 -15.653 -11.466 1.00 34.40 H new ATOM 0 HG22 THR A 82 3.073 -15.327 -10.054 1.00 34.40 H new ATOM 0 HG23 THR A 82 3.714 -16.964 -10.329 1.00 34.40 H new ATOM 1277 N LYS A 83 -0.717 -15.290 -10.510 1.00 63.44 N ATOM 1278 CA LYS A 83 -1.431 -14.199 -9.858 1.00 23.30 C ATOM 1279 C LYS A 83 -1.774 -14.559 -8.416 1.00 22.01 C ATOM 1280 O LYS A 83 -1.463 -13.810 -7.490 1.00 33.20 O ATOM 1281 CB LYS A 83 -2.709 -13.866 -10.630 1.00 14.33 C ATOM 1282 CG LYS A 83 -2.742 -12.446 -11.167 1.00 54.53 C ATOM 1283 CD LYS A 83 -1.810 -12.277 -12.355 1.00 71.34 C ATOM 1284 CE LYS A 83 -1.125 -10.920 -12.338 1.00 42.52 C ATOM 1285 NZ LYS A 83 -0.217 -10.771 -11.167 1.00 64.44 N ATOM 0 H LYS A 83 -1.101 -15.564 -11.414 1.00 63.44 H new ATOM 0 HA LYS A 83 -0.780 -13.325 -9.851 1.00 23.30 H new ATOM 0 HB2 LYS A 83 -2.813 -14.563 -11.462 1.00 14.33 H new ATOM 0 HB3 LYS A 83 -3.568 -14.019 -9.977 1.00 14.33 H new ATOM 0 HG2 LYS A 83 -3.760 -12.192 -11.463 1.00 54.53 H new ATOM 0 HG3 LYS A 83 -2.456 -11.751 -10.378 1.00 54.53 H new ATOM 0 HD2 LYS A 83 -1.058 -13.066 -12.343 1.00 71.34 H new ATOM 0 HD3 LYS A 83 -2.375 -12.389 -13.281 1.00 71.34 H new ATOM 0 HE2 LYS A 83 -0.555 -10.789 -13.258 1.00 42.52 H new ATOM 0 HE3 LYS A 83 -1.879 -10.133 -12.315 1.00 42.52 H new ATOM 0 HZ1 LYS A 83 0.085 -9.779 -11.086 1.00 64.44 H new ATOM 0 HZ2 LYS A 83 -0.719 -11.052 -10.301 1.00 64.44 H new ATOM 0 HZ3 LYS A 83 0.618 -11.378 -11.296 1.00 64.44 H new ATOM 1299 N GLN A 84 -2.414 -15.709 -8.234 1.00 71.41 N ATOM 1300 CA GLN A 84 -2.798 -16.168 -6.904 1.00 41.41 C ATOM 1301 C GLN A 84 -1.605 -16.140 -5.954 1.00 34.03 C ATOM 1302 O GLN A 84 -1.730 -15.732 -4.799 1.00 41.24 O ATOM 1303 CB GLN A 84 -3.375 -17.582 -6.976 1.00 34.22 C ATOM 1304 CG GLN A 84 -2.565 -18.527 -7.849 1.00 10.41 C ATOM 1305 CD GLN A 84 -3.037 -19.964 -7.748 1.00 43.23 C ATOM 1306 OE1 GLN A 84 -3.393 -20.584 -8.751 1.00 23.13 O ATOM 1307 NE2 GLN A 84 -3.042 -20.502 -6.534 1.00 42.13 N ATOM 0 H GLN A 84 -2.678 -16.340 -8.991 1.00 71.41 H new ATOM 0 HA GLN A 84 -3.562 -15.492 -6.520 1.00 41.41 H new ATOM 0 HB2 GLN A 84 -3.434 -17.993 -5.968 1.00 34.22 H new ATOM 0 HB3 GLN A 84 -4.394 -17.530 -7.359 1.00 34.22 H new ATOM 0 HG2 GLN A 84 -2.628 -18.200 -8.887 1.00 10.41 H new ATOM 0 HG3 GLN A 84 -1.515 -18.472 -7.560 1.00 10.41 H new ATOM 0 HE21 GLN A 84 -2.739 -19.951 -5.731 1.00 42.13 H new ATOM 0 HE22 GLN A 84 -3.349 -21.466 -6.405 1.00 42.13 H new ATOM 1316 N GLN A 85 -0.451 -16.577 -6.447 1.00 74.42 N ATOM 1317 CA GLN A 85 0.763 -16.603 -5.641 1.00 31.45 C ATOM 1318 C GLN A 85 1.118 -15.205 -5.145 1.00 75.31 C ATOM 1319 O GLN A 85 1.423 -15.012 -3.968 1.00 32.51 O ATOM 1320 CB GLN A 85 1.926 -17.181 -6.450 1.00 14.24 C ATOM 1321 CG GLN A 85 1.647 -18.566 -7.011 1.00 44.35 C ATOM 1322 CD GLN A 85 1.359 -19.587 -5.929 1.00 63.53 C ATOM 1323 OE1 GLN A 85 0.119 -19.615 -5.456 1.00 11.33 O flip ATOM 1324 NE2 GLN A 85 2.242 -20.344 -5.523 1.00 70.30 N flip ATOM 0 H GLN A 85 -0.331 -16.918 -7.401 1.00 74.42 H new ATOM 0 HA GLN A 85 0.580 -17.240 -4.775 1.00 31.45 H new ATOM 0 HB2 GLN A 85 2.157 -16.504 -7.273 1.00 14.24 H new ATOM 0 HB3 GLN A 85 2.812 -17.226 -5.816 1.00 14.24 H new ATOM 0 HG2 GLN A 85 0.797 -18.514 -7.691 1.00 44.35 H new ATOM 0 HG3 GLN A 85 2.505 -18.896 -7.597 1.00 44.35 H new ATOM 0 HE21 GLN A 85 3.182 -20.288 -5.915 1.00 70.30 H new ATOM 0 HE22 GLN A 85 2.033 -21.027 -4.795 1.00 70.30 H new ATOM 1333 N ILE A 86 1.075 -14.234 -6.051 1.00 4.24 N ATOM 1334 CA ILE A 86 1.392 -12.854 -5.705 1.00 14.43 C ATOM 1335 C ILE A 86 0.321 -12.255 -4.798 1.00 43.04 C ATOM 1336 O ILE A 86 0.624 -11.718 -3.732 1.00 24.21 O ATOM 1337 CB ILE A 86 1.533 -11.976 -6.963 1.00 34.24 C ATOM 1338 CG1 ILE A 86 2.643 -12.516 -7.866 1.00 22.31 C ATOM 1339 CG2 ILE A 86 1.814 -10.533 -6.573 1.00 4.13 C ATOM 1340 CD1 ILE A 86 2.152 -12.968 -9.223 1.00 71.03 C ATOM 0 H ILE A 86 0.824 -14.377 -7.029 1.00 4.24 H new ATOM 0 HA ILE A 86 2.345 -12.872 -5.176 1.00 14.43 H new ATOM 0 HB ILE A 86 0.594 -12.006 -7.516 1.00 34.24 H new ATOM 0 HG12 ILE A 86 3.399 -11.742 -8.001 1.00 22.31 H new ATOM 0 HG13 ILE A 86 3.130 -13.354 -7.367 1.00 22.31 H new ATOM 0 HG21 ILE A 86 1.911 -9.925 -7.473 1.00 4.13 H new ATOM 0 HG22 ILE A 86 0.992 -10.154 -5.966 1.00 4.13 H new ATOM 0 HG23 ILE A 86 2.740 -10.485 -6.001 1.00 4.13 H new ATOM 0 HD11 ILE A 86 2.993 -13.339 -9.809 1.00 71.03 H new ATOM 0 HD12 ILE A 86 1.418 -13.764 -9.098 1.00 71.03 H new ATOM 0 HD13 ILE A 86 1.691 -12.128 -9.741 1.00 71.03 H new ATOM 1352 N LEU A 87 -0.932 -12.352 -5.228 1.00 61.02 N ATOM 1353 CA LEU A 87 -2.049 -11.822 -4.455 1.00 13.24 C ATOM 1354 C LEU A 87 -1.992 -12.309 -3.010 1.00 62.35 C ATOM 1355 O LEU A 87 -2.396 -11.601 -2.087 1.00 61.15 O ATOM 1356 CB LEU A 87 -3.377 -12.234 -5.092 1.00 34.34 C ATOM 1357 CG LEU A 87 -4.581 -11.349 -4.766 1.00 73.34 C ATOM 1358 CD1 LEU A 87 -4.360 -9.936 -5.283 1.00 71.22 C ATOM 1359 CD2 LEU A 87 -5.853 -11.942 -5.355 1.00 52.45 C ATOM 0 H LEU A 87 -1.200 -12.793 -6.108 1.00 61.02 H new ATOM 0 HA LEU A 87 -1.975 -10.735 -4.455 1.00 13.24 H new ATOM 0 HB2 LEU A 87 -3.248 -12.253 -6.174 1.00 34.34 H new ATOM 0 HB3 LEU A 87 -3.606 -13.253 -4.781 1.00 34.34 H new ATOM 0 HG LEU A 87 -4.693 -11.304 -3.683 1.00 73.34 H new ATOM 0 HD11 LEU A 87 -5.227 -9.321 -5.042 1.00 71.22 H new ATOM 0 HD12 LEU A 87 -3.472 -9.512 -4.814 1.00 71.22 H new ATOM 0 HD13 LEU A 87 -4.222 -9.961 -6.364 1.00 71.22 H new ATOM 0 HD21 LEU A 87 -6.700 -11.300 -5.113 1.00 52.45 H new ATOM 0 HD22 LEU A 87 -5.752 -12.017 -6.438 1.00 52.45 H new ATOM 0 HD23 LEU A 87 -6.020 -12.934 -4.936 1.00 52.45 H new ATOM 1371 N THR A 88 -1.485 -13.524 -2.821 1.00 4.42 N ATOM 1372 CA THR A 88 -1.373 -14.106 -1.489 1.00 43.34 C ATOM 1373 C THR A 88 -0.706 -13.137 -0.520 1.00 13.42 C ATOM 1374 O THR A 88 -1.001 -13.139 0.675 1.00 71.42 O ATOM 1375 CB THR A 88 -0.570 -15.420 -1.517 1.00 31.13 C ATOM 1376 OG1 THR A 88 -1.230 -16.380 -2.349 1.00 34.32 O ATOM 1377 CG2 THR A 88 -0.408 -15.984 -0.113 1.00 63.22 C ATOM 0 H THR A 88 -1.146 -14.123 -3.573 1.00 4.42 H new ATOM 0 HA THR A 88 -2.387 -14.315 -1.149 1.00 43.34 H new ATOM 0 HB THR A 88 0.419 -15.208 -1.923 1.00 31.13 H new ATOM 0 HG1 THR A 88 -1.013 -16.203 -3.288 1.00 34.32 H new ATOM 0 HG21 THR A 88 0.162 -16.912 -0.157 1.00 63.22 H new ATOM 0 HG22 THR A 88 0.121 -15.263 0.510 1.00 63.22 H new ATOM 0 HG23 THR A 88 -1.391 -16.182 0.315 1.00 63.22 H new ATOM 1385 N GLU A 89 0.193 -12.308 -1.042 1.00 72.43 N ATOM 1386 CA GLU A 89 0.901 -11.334 -0.221 1.00 12.42 C ATOM 1387 C GLU A 89 0.516 -9.910 -0.612 1.00 53.14 C ATOM 1388 O GLU A 89 0.480 -9.011 0.229 1.00 41.55 O ATOM 1389 CB GLU A 89 2.413 -11.521 -0.358 1.00 3.41 C ATOM 1390 CG GLU A 89 2.860 -12.969 -0.249 1.00 51.24 C ATOM 1391 CD GLU A 89 4.223 -13.112 0.399 1.00 10.14 C ATOM 1392 OE1 GLU A 89 4.916 -12.085 0.558 1.00 33.34 O ATOM 1393 OE2 GLU A 89 4.597 -14.251 0.748 1.00 35.53 O ATOM 0 H GLU A 89 0.448 -12.292 -2.030 1.00 72.43 H new ATOM 0 HA GLU A 89 0.615 -11.497 0.818 1.00 12.42 H new ATOM 0 HB2 GLU A 89 2.734 -11.122 -1.320 1.00 3.41 H new ATOM 0 HB3 GLU A 89 2.914 -10.936 0.413 1.00 3.41 H new ATOM 0 HG2 GLU A 89 2.126 -13.529 0.330 1.00 51.24 H new ATOM 0 HG3 GLU A 89 2.887 -13.413 -1.244 1.00 51.24 H new ATOM 1400 N LEU A 90 0.229 -9.713 -1.894 1.00 54.43 N ATOM 1401 CA LEU A 90 -0.154 -8.398 -2.399 1.00 63.43 C ATOM 1402 C LEU A 90 -1.258 -7.786 -1.543 1.00 61.33 C ATOM 1403 O LEU A 90 -1.099 -6.696 -0.996 1.00 4.21 O ATOM 1404 CB LEU A 90 -0.619 -8.504 -3.853 1.00 22.33 C ATOM 1405 CG LEU A 90 0.050 -7.550 -4.843 1.00 25.33 C ATOM 1406 CD1 LEU A 90 1.561 -7.720 -4.809 1.00 44.03 C ATOM 1407 CD2 LEU A 90 -0.483 -7.781 -6.249 1.00 50.31 C ATOM 0 H LEU A 90 0.254 -10.446 -2.603 1.00 54.43 H new ATOM 0 HA LEU A 90 0.720 -7.748 -2.350 1.00 63.43 H new ATOM 0 HB2 LEU A 90 -0.451 -9.526 -4.194 1.00 22.33 H new ATOM 0 HB3 LEU A 90 -1.695 -8.331 -3.883 1.00 22.33 H new ATOM 0 HG LEU A 90 -0.187 -6.527 -4.550 1.00 25.33 H new ATOM 0 HD11 LEU A 90 2.020 -7.033 -5.520 1.00 44.03 H new ATOM 0 HD12 LEU A 90 1.929 -7.504 -3.806 1.00 44.03 H new ATOM 0 HD13 LEU A 90 1.818 -8.745 -5.077 1.00 44.03 H new ATOM 0 HD21 LEU A 90 0.004 -7.093 -6.940 1.00 50.31 H new ATOM 0 HD22 LEU A 90 -0.277 -8.807 -6.552 1.00 50.31 H new ATOM 0 HD23 LEU A 90 -1.559 -7.608 -6.263 1.00 50.31 H new ATOM 1419 N GLN A 91 -2.376 -8.497 -1.432 1.00 5.05 N ATOM 1420 CA GLN A 91 -3.505 -8.024 -0.641 1.00 13.54 C ATOM 1421 C GLN A 91 -3.754 -8.937 0.555 1.00 23.20 C ATOM 1422 O GLN A 91 -4.893 -9.123 0.982 1.00 14.54 O ATOM 1423 CB GLN A 91 -4.764 -7.944 -1.507 1.00 4.23 C ATOM 1424 CG GLN A 91 -5.155 -9.272 -2.135 1.00 10.32 C ATOM 1425 CD GLN A 91 -6.219 -10.002 -1.340 1.00 33.12 C ATOM 1426 OE1 GLN A 91 -7.378 -9.588 -1.305 1.00 54.12 O ATOM 1427 NE2 GLN A 91 -5.831 -11.096 -0.695 1.00 63.13 N ATOM 0 H GLN A 91 -2.523 -9.402 -1.880 1.00 5.05 H new ATOM 0 HA GLN A 91 -3.263 -7.028 -0.270 1.00 13.54 H new ATOM 0 HB2 GLN A 91 -5.592 -7.582 -0.897 1.00 4.23 H new ATOM 0 HB3 GLN A 91 -4.605 -7.210 -2.297 1.00 4.23 H new ATOM 0 HG2 GLN A 91 -5.519 -9.098 -3.148 1.00 10.32 H new ATOM 0 HG3 GLN A 91 -4.271 -9.904 -2.218 1.00 10.32 H new ATOM 0 HE21 GLN A 91 -4.860 -11.404 -0.751 1.00 63.13 H new ATOM 0 HE22 GLN A 91 -6.504 -11.629 -0.143 1.00 63.13 H new ATOM 1436 N LYS A 92 -2.680 -9.507 1.091 1.00 3.22 N ATOM 1437 CA LYS A 92 -2.780 -10.401 2.239 1.00 64.15 C ATOM 1438 C LYS A 92 -1.429 -10.551 2.931 1.00 2.40 C ATOM 1439 O LYS A 92 -0.437 -9.953 2.513 1.00 4.04 O ATOM 1440 CB LYS A 92 -3.294 -11.774 1.798 1.00 4.41 C ATOM 1441 CG LYS A 92 -4.695 -12.086 2.294 1.00 50.04 C ATOM 1442 CD LYS A 92 -4.664 -12.888 3.584 1.00 75.12 C ATOM 1443 CE LYS A 92 -4.172 -14.307 3.346 1.00 21.42 C ATOM 1444 NZ LYS A 92 -5.293 -15.240 3.044 1.00 23.22 N ATOM 0 H LYS A 92 -1.730 -9.366 0.749 1.00 3.22 H new ATOM 0 HA LYS A 92 -3.485 -9.965 2.947 1.00 64.15 H new ATOM 0 HB2 LYS A 92 -3.283 -11.824 0.709 1.00 4.41 H new ATOM 0 HB3 LYS A 92 -2.610 -12.542 2.159 1.00 4.41 H new ATOM 0 HG2 LYS A 92 -5.240 -11.156 2.456 1.00 50.04 H new ATOM 0 HG3 LYS A 92 -5.236 -12.644 1.530 1.00 50.04 H new ATOM 0 HD2 LYS A 92 -4.015 -12.393 4.306 1.00 75.12 H new ATOM 0 HD3 LYS A 92 -5.663 -12.916 4.020 1.00 75.12 H new ATOM 0 HE2 LYS A 92 -3.463 -14.311 2.518 1.00 21.42 H new ATOM 0 HE3 LYS A 92 -3.635 -14.658 4.227 1.00 21.42 H new ATOM 0 HZ1 LYS A 92 -4.916 -16.197 2.888 1.00 23.22 H new ATOM 0 HZ2 LYS A 92 -5.957 -15.256 3.844 1.00 23.22 H new ATOM 0 HZ3 LYS A 92 -5.790 -14.920 2.188 1.00 23.22 H new