USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=16 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= -2.41! K(o=-3.2!,f=-4.3) USER MOD Set 1.2: A 82 THR OG1 : rot -151:sc= -0.766! USER MOD Set 2.1: A 8 CYS SG : rot 180:sc= 0.0283 USER MOD Set 2.2: A 15 SER OG : rot -31:sc= 0.158 USER MOD Set 2.3: A 37 GLN : amide:sc= -0.646 X(o=-0.46,f=-0.2) USER MOD Set 3.1: A 3 GLN : amide:sc= -0.111 X(o=-0.31,f=-0.0087) USER MOD Set 3.2: A 49 THR OG1 : rot -120:sc= -0.198 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -107:sc= 1.06 (180deg=-0.26) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -4.15! C(o=-4.1!,f=-7.3!) USER MOD Single : A 20 ASN : amide:sc= -0.843 K(o=-0.84,f=-0.1) USER MOD Single : A 25 MET CE :methyl -141:sc= -1.38 (180deg=-4.42!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0834 X(o=-0.083,f=0.0083) USER MOD Single : A 30 ASN : amide:sc= -0.75 K(o=-0.75,f=-1.5) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= -0.0352 (180deg=-0.257) 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 55 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 56 THR OG1 : rot -55:sc= 0.881 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0386) USER MOD Single : A 69 ASN : amide:sc= -0.0406 X(o=-0.041,f=0.094) USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= -0.514 (180deg=-0.544) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.019) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 91 GLN : amide:sc= -2.33 K(o=-2.3,f=-4.3!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.187 0.504 -0.285 1.00 12.10 N ATOM 2 CA MET A 1 2.688 0.191 -1.618 1.00 51.43 C ATOM 3 C MET A 1 3.492 -1.105 -1.607 1.00 2.43 C ATOM 4 O MET A 1 4.360 -1.301 -0.756 1.00 20.42 O ATOM 5 CB MET A 1 3.554 1.338 -2.143 1.00 1.22 C ATOM 6 CG MET A 1 2.752 2.545 -2.602 1.00 72.22 C ATOM 7 SD MET A 1 3.796 3.881 -3.214 1.00 42.14 S ATOM 8 CE MET A 1 3.285 5.226 -2.148 1.00 1.04 C ATOM 0 H1 MET A 1 1.643 1.390 -0.318 1.00 12.10 H new ATOM 0 H2 MET A 1 1.573 -0.267 0.045 1.00 12.10 H new ATOM 0 H3 MET A 1 2.987 0.613 0.370 1.00 12.10 H new ATOM 0 HA MET A 1 1.831 0.060 -2.279 1.00 51.43 H new ATOM 0 HB2 MET A 1 4.245 1.648 -1.360 1.00 1.22 H new ATOM 0 HB3 MET A 1 4.157 0.975 -2.975 1.00 1.22 H new ATOM 0 HG2 MET A 1 2.061 2.240 -3.388 1.00 72.22 H new ATOM 0 HG3 MET A 1 2.148 2.912 -1.772 1.00 72.22 H new ATOM 0 HE1 MET A 1 3.844 6.126 -2.405 1.00 1.04 H new ATOM 0 HE2 MET A 1 2.219 5.411 -2.281 1.00 1.04 H new ATOM 0 HE3 MET A 1 3.481 4.961 -1.109 1.00 1.04 H new ATOM 18 N LYS A 2 3.198 -1.987 -2.556 1.00 3.40 N ATOM 19 CA LYS A 2 3.894 -3.264 -2.656 1.00 42.02 C ATOM 20 C LYS A 2 4.991 -3.204 -3.714 1.00 63.32 C ATOM 21 O LYS A 2 4.824 -3.711 -4.823 1.00 51.32 O ATOM 22 CB LYS A 2 2.905 -4.382 -2.994 1.00 42.23 C ATOM 23 CG LYS A 2 2.218 -4.974 -1.777 1.00 35.44 C ATOM 24 CD LYS A 2 3.156 -5.872 -0.988 1.00 70.51 C ATOM 25 CE LYS A 2 3.399 -7.191 -1.706 1.00 25.22 C ATOM 26 NZ LYS A 2 3.721 -8.290 -0.753 1.00 51.14 N ATOM 0 H LYS A 2 2.482 -1.841 -3.267 1.00 3.40 H new ATOM 0 HA LYS A 2 4.355 -3.475 -1.691 1.00 42.02 H new ATOM 0 HB2 LYS A 2 2.148 -3.992 -3.675 1.00 42.23 H new ATOM 0 HB3 LYS A 2 3.433 -5.175 -3.524 1.00 42.23 H new ATOM 0 HG2 LYS A 2 1.857 -4.170 -1.135 1.00 35.44 H new ATOM 0 HG3 LYS A 2 1.346 -5.546 -2.093 1.00 35.44 H new ATOM 0 HD2 LYS A 2 4.106 -5.361 -0.832 1.00 70.51 H new ATOM 0 HD3 LYS A 2 2.733 -6.065 -0.002 1.00 70.51 H new ATOM 0 HE2 LYS A 2 2.514 -7.459 -2.283 1.00 25.22 H new ATOM 0 HE3 LYS A 2 4.219 -7.073 -2.415 1.00 25.22 H new ATOM 0 HZ1 LYS A 2 4.732 -8.523 -0.820 1.00 51.14 H new ATOM 0 HZ2 LYS A 2 3.500 -7.985 0.216 1.00 51.14 H new ATOM 0 HZ3 LYS A 2 3.156 -9.131 -0.989 1.00 51.14 H new ATOM 40 N GLN A 3 6.113 -2.584 -3.363 1.00 10.22 N ATOM 41 CA GLN A 3 7.237 -2.460 -4.283 1.00 42.40 C ATOM 42 C GLN A 3 7.619 -3.818 -4.862 1.00 4.21 C ATOM 43 O GLN A 3 8.136 -4.683 -4.154 1.00 52.23 O ATOM 44 CB GLN A 3 8.440 -1.839 -3.571 1.00 2.41 C ATOM 45 CG GLN A 3 9.502 -1.309 -4.521 1.00 5.04 C ATOM 46 CD GLN A 3 10.377 -0.247 -3.884 1.00 41.10 C ATOM 47 OE1 GLN A 3 9.885 0.781 -3.418 1.00 4.13 O ATOM 48 NE2 GLN A 3 11.682 -0.490 -3.861 1.00 64.21 N ATOM 0 H GLN A 3 6.268 -2.160 -2.448 1.00 10.22 H new ATOM 0 HA GLN A 3 6.933 -1.809 -5.103 1.00 42.40 H new ATOM 0 HB2 GLN A 3 8.094 -1.024 -2.935 1.00 2.41 H new ATOM 0 HB3 GLN A 3 8.890 -2.586 -2.917 1.00 2.41 H new ATOM 0 HG2 GLN A 3 10.128 -2.135 -4.858 1.00 5.04 H new ATOM 0 HG3 GLN A 3 9.019 -0.894 -5.405 1.00 5.04 H new ATOM 0 HE21 GLN A 3 12.047 -1.356 -4.259 1.00 64.21 H new ATOM 0 HE22 GLN A 3 12.320 0.189 -3.445 1.00 64.21 H new ATOM 57 N VAL A 4 7.362 -3.999 -6.153 1.00 40.25 N ATOM 58 CA VAL A 4 7.680 -5.252 -6.828 1.00 52.31 C ATOM 59 C VAL A 4 8.698 -5.033 -7.942 1.00 31.44 C ATOM 60 O VAL A 4 8.389 -4.431 -8.971 1.00 23.41 O ATOM 61 CB VAL A 4 6.418 -5.905 -7.422 1.00 52.02 C ATOM 62 CG1 VAL A 4 6.790 -7.113 -8.268 1.00 35.53 C ATOM 63 CG2 VAL A 4 5.449 -6.296 -6.316 1.00 4.42 C ATOM 0 H VAL A 4 6.934 -3.294 -6.753 1.00 40.25 H new ATOM 0 HA VAL A 4 8.105 -5.917 -6.077 1.00 52.31 H new ATOM 0 HB VAL A 4 5.923 -5.178 -8.066 1.00 52.02 H new ATOM 0 HG11 VAL A 4 5.886 -7.561 -8.679 1.00 35.53 H new ATOM 0 HG12 VAL A 4 7.443 -6.800 -9.083 1.00 35.53 H new ATOM 0 HG13 VAL A 4 7.309 -7.845 -7.649 1.00 35.53 H new ATOM 0 HG21 VAL A 4 4.563 -6.756 -6.754 1.00 4.42 H new ATOM 0 HG22 VAL A 4 5.931 -7.006 -5.644 1.00 4.42 H new ATOM 0 HG23 VAL A 4 5.157 -5.407 -5.757 1.00 4.42 H new ATOM 73 N LEU A 5 9.913 -5.527 -7.730 1.00 11.24 N ATOM 74 CA LEU A 5 10.978 -5.387 -8.716 1.00 45.30 C ATOM 75 C LEU A 5 10.938 -6.528 -9.727 1.00 50.02 C ATOM 76 O LEU A 5 10.213 -7.506 -9.546 1.00 74.15 O ATOM 77 CB LEU A 5 12.341 -5.353 -8.022 1.00 44.23 C ATOM 78 CG LEU A 5 12.705 -4.044 -7.320 1.00 35.24 C ATOM 79 CD1 LEU A 5 12.607 -2.874 -8.286 1.00 63.34 C ATOM 80 CD2 LEU A 5 11.804 -3.818 -6.114 1.00 71.50 C ATOM 0 H LEU A 5 10.185 -6.028 -6.884 1.00 11.24 H new ATOM 0 HA LEU A 5 10.825 -4.449 -9.249 1.00 45.30 H new ATOM 0 HB2 LEU A 5 12.372 -6.157 -7.287 1.00 44.23 H new ATOM 0 HB3 LEU A 5 13.110 -5.570 -8.764 1.00 44.23 H new ATOM 0 HG LEU A 5 13.735 -4.115 -6.972 1.00 35.24 H new ATOM 0 HD11 LEU A 5 12.870 -1.952 -7.768 1.00 63.34 H new ATOM 0 HD12 LEU A 5 13.293 -3.031 -9.118 1.00 63.34 H new ATOM 0 HD13 LEU A 5 11.588 -2.800 -8.665 1.00 63.34 H new ATOM 0 HD21 LEU A 5 12.077 -2.882 -5.626 1.00 71.50 H new ATOM 0 HD22 LEU A 5 10.765 -3.768 -6.440 1.00 71.50 H new ATOM 0 HD23 LEU A 5 11.924 -4.642 -5.411 1.00 71.50 H new ATOM 92 N VAL A 6 11.724 -6.397 -10.791 1.00 73.24 N ATOM 93 CA VAL A 6 11.780 -7.419 -11.830 1.00 45.20 C ATOM 94 C VAL A 6 13.159 -7.467 -12.479 1.00 23.14 C ATOM 95 O VAL A 6 13.536 -6.567 -13.228 1.00 53.32 O ATOM 96 CB VAL A 6 10.721 -7.171 -12.920 1.00 11.50 C ATOM 97 CG1 VAL A 6 10.796 -8.246 -13.993 1.00 43.00 C ATOM 98 CG2 VAL A 6 9.330 -7.114 -12.307 1.00 52.10 C ATOM 0 H VAL A 6 12.330 -5.594 -10.956 1.00 73.24 H new ATOM 0 HA VAL A 6 11.575 -8.374 -11.346 1.00 45.20 H new ATOM 0 HB VAL A 6 10.926 -6.209 -13.389 1.00 11.50 H new ATOM 0 HG11 VAL A 6 10.040 -8.054 -14.754 1.00 43.00 H new ATOM 0 HG12 VAL A 6 11.785 -8.234 -14.452 1.00 43.00 H new ATOM 0 HG13 VAL A 6 10.617 -9.222 -13.543 1.00 43.00 H new ATOM 0 HG21 VAL A 6 8.594 -6.938 -13.091 1.00 52.10 H new ATOM 0 HG22 VAL A 6 9.112 -8.060 -11.810 1.00 52.10 H new ATOM 0 HG23 VAL A 6 9.286 -6.303 -11.580 1.00 52.10 H new ATOM 108 N ALA A 7 13.908 -8.525 -12.185 1.00 45.12 N ATOM 109 CA ALA A 7 15.245 -8.692 -12.742 1.00 22.42 C ATOM 110 C ALA A 7 15.397 -10.057 -13.405 1.00 55.03 C ATOM 111 O ALA A 7 15.541 -11.075 -12.727 1.00 51.12 O ATOM 112 CB ALA A 7 16.295 -8.512 -11.656 1.00 5.02 C ATOM 0 H ALA A 7 13.612 -9.279 -11.565 1.00 45.12 H new ATOM 0 HA ALA A 7 15.392 -7.928 -13.505 1.00 22.42 H new ATOM 0 HB1 ALA A 7 17.289 -8.639 -12.086 1.00 5.02 H new ATOM 0 HB2 ALA A 7 16.210 -7.513 -11.229 1.00 5.02 H new ATOM 0 HB3 ALA A 7 16.140 -9.255 -10.874 1.00 5.02 H new ATOM 118 N CYS A 8 15.362 -10.071 -14.733 1.00 51.11 N ATOM 119 CA CYS A 8 15.494 -11.312 -15.488 1.00 52.24 C ATOM 120 C CYS A 8 16.960 -11.707 -15.634 1.00 11.42 C ATOM 121 O CYS A 8 17.858 -10.924 -15.326 1.00 14.13 O ATOM 122 CB CYS A 8 14.854 -11.163 -16.869 1.00 52.04 C ATOM 123 SG CYS A 8 15.599 -9.872 -17.893 1.00 60.32 S ATOM 0 H CYS A 8 15.243 -9.237 -15.309 1.00 51.11 H new ATOM 0 HA CYS A 8 14.978 -12.099 -14.939 1.00 52.24 H new ATOM 0 HB2 CYS A 8 14.925 -12.115 -17.395 1.00 52.04 H new ATOM 0 HB3 CYS A 8 13.793 -10.946 -16.744 1.00 52.04 H new ATOM 0 HG CYS A 8 14.992 -9.824 -19.041 1.00 60.32 H new ATOM 196 N SER A 15 12.073 -8.632 -19.705 1.00 33.32 N ATOM 197 CA SER A 15 10.943 -8.924 -18.830 1.00 23.21 C ATOM 198 C SER A 15 9.888 -7.826 -18.921 1.00 31.25 C ATOM 199 O SER A 15 9.250 -7.477 -17.927 1.00 31.44 O ATOM 200 CB SER A 15 11.417 -9.074 -17.383 1.00 1.31 C ATOM 201 OG SER A 15 12.179 -7.950 -16.977 1.00 14.31 O ATOM 0 HA SER A 15 10.495 -9.862 -19.157 1.00 23.21 H new ATOM 0 HB2 SER A 15 10.556 -9.190 -16.725 1.00 1.31 H new ATOM 0 HB3 SER A 15 12.017 -9.979 -17.285 1.00 1.31 H new ATOM 0 HG SER A 15 12.659 -7.584 -17.749 1.00 14.31 H new ATOM 207 N THR A 16 9.709 -7.284 -20.121 1.00 51.30 N ATOM 208 CA THR A 16 8.733 -6.225 -20.343 1.00 52.43 C ATOM 209 C THR A 16 7.319 -6.789 -20.431 1.00 65.15 C ATOM 210 O THR A 16 6.383 -6.238 -19.853 1.00 52.13 O ATOM 211 CB THR A 16 9.041 -5.438 -21.632 1.00 34.24 C ATOM 212 OG1 THR A 16 10.408 -5.012 -21.631 1.00 34.04 O ATOM 213 CG2 THR A 16 8.127 -4.228 -21.758 1.00 60.44 C ATOM 0 H THR A 16 10.227 -7.561 -20.955 1.00 51.30 H new ATOM 0 HA THR A 16 8.799 -5.550 -19.489 1.00 52.43 H new ATOM 0 HB THR A 16 8.867 -6.095 -22.484 1.00 34.24 H new ATOM 0 HG1 THR A 16 10.596 -4.514 -22.454 1.00 34.04 H new ATOM 0 HG21 THR A 16 8.363 -3.688 -22.675 1.00 60.44 H new ATOM 0 HG22 THR A 16 7.089 -4.558 -21.788 1.00 60.44 H new ATOM 0 HG23 THR A 16 8.274 -3.570 -20.901 1.00 60.44 H new ATOM 221 N VAL A 17 7.172 -7.892 -21.158 1.00 61.33 N ATOM 222 CA VAL A 17 5.872 -8.533 -21.321 1.00 4.14 C ATOM 223 C VAL A 17 5.206 -8.774 -19.971 1.00 25.53 C ATOM 224 O VAL A 17 4.041 -8.433 -19.771 1.00 53.23 O ATOM 225 CB VAL A 17 5.997 -9.875 -22.067 1.00 3.45 C ATOM 226 CG1 VAL A 17 4.642 -10.557 -22.168 1.00 72.35 C ATOM 227 CG2 VAL A 17 6.602 -9.662 -23.446 1.00 73.43 C ATOM 0 H VAL A 17 7.937 -8.360 -21.644 1.00 61.33 H new ATOM 0 HA VAL A 17 5.256 -7.855 -21.911 1.00 4.14 H new ATOM 0 HB VAL A 17 6.663 -10.527 -21.501 1.00 3.45 H new ATOM 0 HG11 VAL A 17 4.750 -11.503 -22.698 1.00 72.35 H new ATOM 0 HG12 VAL A 17 4.253 -10.744 -21.167 1.00 72.35 H new ATOM 0 HG13 VAL A 17 3.950 -9.913 -22.712 1.00 72.35 H new ATOM 0 HG21 VAL A 17 6.683 -10.620 -23.960 1.00 73.43 H new ATOM 0 HG22 VAL A 17 5.964 -8.993 -24.024 1.00 73.43 H new ATOM 0 HG23 VAL A 17 7.593 -9.220 -23.344 1.00 73.43 H new ATOM 237 N VAL A 18 5.955 -9.366 -19.045 1.00 1.31 N ATOM 238 CA VAL A 18 5.438 -9.652 -17.712 1.00 63.10 C ATOM 239 C VAL A 18 4.808 -8.412 -17.089 1.00 4.43 C ATOM 240 O VAL A 18 3.602 -8.369 -16.850 1.00 43.32 O ATOM 241 CB VAL A 18 6.548 -10.175 -16.780 1.00 53.51 C ATOM 242 CG1 VAL A 18 5.997 -10.432 -15.386 1.00 11.02 C ATOM 243 CG2 VAL A 18 7.176 -11.435 -17.355 1.00 43.21 C ATOM 0 H VAL A 18 6.921 -9.657 -19.194 1.00 1.31 H new ATOM 0 HA VAL A 18 4.677 -10.424 -17.826 1.00 63.10 H new ATOM 0 HB VAL A 18 7.324 -9.413 -16.703 1.00 53.51 H new ATOM 0 HG11 VAL A 18 6.795 -10.801 -14.742 1.00 11.02 H new ATOM 0 HG12 VAL A 18 5.599 -9.504 -14.975 1.00 11.02 H new ATOM 0 HG13 VAL A 18 5.202 -11.175 -15.440 1.00 11.02 H new ATOM 0 HG21 VAL A 18 7.958 -11.791 -16.684 1.00 43.21 H new ATOM 0 HG22 VAL A 18 6.412 -12.205 -17.463 1.00 43.21 H new ATOM 0 HG23 VAL A 18 7.608 -11.213 -18.331 1.00 43.21 H new ATOM 253 N ASN A 19 5.634 -7.403 -16.827 1.00 71.25 N ATOM 254 CA ASN A 19 5.158 -6.160 -16.231 1.00 74.33 C ATOM 255 C ASN A 19 3.973 -5.601 -17.013 1.00 50.12 C ATOM 256 O ASN A 19 2.960 -5.214 -16.432 1.00 72.43 O ATOM 257 CB ASN A 19 6.286 -5.128 -16.185 1.00 14.34 C ATOM 258 CG ASN A 19 5.765 -3.708 -16.073 1.00 2.35 C ATOM 259 OD1 ASN A 19 4.762 -3.453 -15.406 1.00 20.11 O ATOM 260 ND2 ASN A 19 6.447 -2.775 -16.727 1.00 0.43 N ATOM 0 H ASN A 19 6.636 -7.422 -17.018 1.00 71.25 H new ATOM 0 HA ASN A 19 4.830 -6.375 -15.214 1.00 74.33 H new ATOM 0 HB2 ASN A 19 6.936 -5.342 -15.337 1.00 14.34 H new ATOM 0 HB3 ASN A 19 6.895 -5.219 -17.084 1.00 14.34 H new ATOM 0 HD21 ASN A 19 6.145 -1.801 -16.689 1.00 0.43 H new ATOM 0 HD22 ASN A 19 7.273 -3.032 -17.268 1.00 0.43 H new ATOM 267 N ASN A 20 4.109 -5.562 -18.335 1.00 13.22 N ATOM 268 CA ASN A 20 3.050 -5.050 -19.197 1.00 52.21 C ATOM 269 C ASN A 20 1.716 -5.717 -18.876 1.00 21.44 C ATOM 270 O ASN A 20 0.657 -5.105 -19.005 1.00 13.34 O ATOM 271 CB ASN A 20 3.406 -5.278 -20.667 1.00 72.15 C ATOM 272 CG ASN A 20 4.155 -4.105 -21.270 1.00 23.33 C ATOM 273 OD1 ASN A 20 3.827 -3.639 -22.360 1.00 50.45 O ATOM 274 ND2 ASN A 20 5.169 -3.624 -20.559 1.00 53.45 N ATOM 0 H ASN A 20 4.942 -5.879 -18.832 1.00 13.22 H new ATOM 0 HA ASN A 20 2.953 -3.980 -19.015 1.00 52.21 H new ATOM 0 HB2 ASN A 20 4.015 -6.178 -20.755 1.00 72.15 H new ATOM 0 HB3 ASN A 20 2.493 -5.454 -21.236 1.00 72.15 H new ATOM 0 HD21 ASN A 20 5.711 -2.836 -20.913 1.00 53.45 H new ATOM 0 HD22 ASN A 20 5.405 -4.043 -19.659 1.00 53.45 H new ATOM 281 N ALA A 21 1.777 -6.977 -18.456 1.00 1.12 N ATOM 282 CA ALA A 21 0.575 -7.727 -18.113 1.00 41.02 C ATOM 283 C ALA A 21 0.151 -7.456 -16.674 1.00 33.22 C ATOM 284 O ALA A 21 -1.024 -7.208 -16.400 1.00 21.35 O ATOM 285 CB ALA A 21 0.803 -9.216 -18.327 1.00 24.00 C ATOM 0 H ALA A 21 2.646 -7.499 -18.345 1.00 1.12 H new ATOM 0 HA ALA A 21 -0.230 -7.396 -18.769 1.00 41.02 H new ATOM 0 HB1 ALA A 21 -0.103 -9.764 -18.067 1.00 24.00 H new ATOM 0 HB2 ALA A 21 1.051 -9.400 -19.373 1.00 24.00 H new ATOM 0 HB3 ALA A 21 1.625 -9.553 -17.695 1.00 24.00 H new ATOM 291 N ILE A 22 1.113 -7.506 -15.759 1.00 11.11 N ATOM 292 CA ILE A 22 0.838 -7.265 -14.348 1.00 32.42 C ATOM 293 C ILE A 22 0.249 -5.876 -14.132 1.00 13.43 C ATOM 294 O ILE A 22 -0.583 -5.674 -13.247 1.00 64.31 O ATOM 295 CB ILE A 22 2.111 -7.410 -13.493 1.00 41.55 C ATOM 296 CG1 ILE A 22 2.716 -8.804 -13.671 1.00 53.33 C ATOM 297 CG2 ILE A 22 1.799 -7.145 -12.028 1.00 55.23 C ATOM 298 CD1 ILE A 22 1.750 -9.925 -13.360 1.00 20.55 C ATOM 0 H ILE A 22 2.090 -7.711 -15.969 1.00 11.11 H new ATOM 0 HA ILE A 22 0.113 -8.017 -14.035 1.00 32.42 H new ATOM 0 HB ILE A 22 2.841 -6.673 -13.828 1.00 41.55 H new ATOM 0 HG12 ILE A 22 3.066 -8.911 -14.698 1.00 53.33 H new ATOM 0 HG13 ILE A 22 3.589 -8.898 -13.025 1.00 53.33 H new ATOM 0 HG21 ILE A 22 2.709 -7.251 -11.437 1.00 55.23 H new ATOM 0 HG22 ILE A 22 1.410 -6.133 -11.916 1.00 55.23 H new ATOM 0 HG23 ILE A 22 1.054 -7.861 -11.679 1.00 55.23 H new ATOM 0 HD11 ILE A 22 2.246 -10.884 -13.507 1.00 20.55 H new ATOM 0 HD12 ILE A 22 1.419 -9.843 -12.325 1.00 20.55 H new ATOM 0 HD13 ILE A 22 0.888 -9.857 -14.023 1.00 20.55 H new ATOM 310 N GLU A 23 0.685 -4.921 -14.947 1.00 55.44 N ATOM 311 CA GLU A 23 0.199 -3.549 -14.845 1.00 71.44 C ATOM 312 C GLU A 23 -1.260 -3.455 -15.283 1.00 41.12 C ATOM 313 O GLU A 23 -1.972 -2.525 -14.907 1.00 41.51 O ATOM 314 CB GLU A 23 1.060 -2.615 -15.698 1.00 22.13 C ATOM 315 CG GLU A 23 0.956 -2.883 -17.190 1.00 22.44 C ATOM 316 CD GLU A 23 1.172 -1.635 -18.023 1.00 71.33 C ATOM 317 OE1 GLU A 23 2.082 -1.644 -18.879 1.00 0.25 O ATOM 318 OE2 GLU A 23 0.431 -0.650 -17.821 1.00 25.53 O ATOM 0 H GLU A 23 1.373 -5.071 -15.685 1.00 55.44 H new ATOM 0 HA GLU A 23 0.268 -3.243 -13.801 1.00 71.44 H new ATOM 0 HB2 GLU A 23 0.766 -1.584 -15.502 1.00 22.13 H new ATOM 0 HB3 GLU A 23 2.101 -2.714 -15.392 1.00 22.13 H new ATOM 0 HG2 GLU A 23 1.692 -3.636 -17.472 1.00 22.44 H new ATOM 0 HG3 GLU A 23 -0.027 -3.299 -17.413 1.00 22.44 H new ATOM 325 N GLU A 24 -1.696 -4.425 -16.081 1.00 13.21 N ATOM 326 CA GLU A 24 -3.069 -4.450 -16.571 1.00 54.11 C ATOM 327 C GLU A 24 -4.014 -5.019 -15.516 1.00 4.43 C ATOM 328 O GLU A 24 -5.097 -4.483 -15.284 1.00 72.43 O ATOM 329 CB GLU A 24 -3.161 -5.279 -17.854 1.00 35.34 C ATOM 330 CG GLU A 24 -4.385 -4.963 -18.697 1.00 11.52 C ATOM 331 CD GLU A 24 -4.460 -3.500 -19.090 1.00 41.10 C ATOM 332 OE1 GLU A 24 -3.440 -2.960 -19.566 1.00 24.00 O ATOM 333 OE2 GLU A 24 -5.540 -2.896 -18.922 1.00 2.53 O ATOM 0 H GLU A 24 -1.119 -5.203 -16.401 1.00 13.21 H new ATOM 0 HA GLU A 24 -3.369 -3.425 -16.787 1.00 54.11 H new ATOM 0 HB2 GLU A 24 -2.265 -5.109 -18.451 1.00 35.34 H new ATOM 0 HB3 GLU A 24 -3.174 -6.337 -17.593 1.00 35.34 H new ATOM 0 HG2 GLU A 24 -4.370 -5.577 -19.597 1.00 11.52 H new ATOM 0 HG3 GLU A 24 -5.283 -5.233 -18.142 1.00 11.52 H new ATOM 340 N MET A 25 -3.593 -6.107 -14.879 1.00 75.24 N ATOM 341 CA MET A 25 -4.401 -6.749 -13.848 1.00 41.52 C ATOM 342 C MET A 25 -4.339 -5.963 -12.542 1.00 63.01 C ATOM 343 O MET A 25 -5.317 -5.899 -11.799 1.00 12.53 O ATOM 344 CB MET A 25 -3.925 -8.184 -13.617 1.00 1.01 C ATOM 345 CG MET A 25 -2.616 -8.274 -12.850 1.00 3.23 C ATOM 346 SD MET A 25 -2.863 -8.496 -11.077 1.00 41.35 S ATOM 347 CE MET A 25 -1.179 -8.775 -10.533 1.00 55.21 C ATOM 0 H MET A 25 -2.698 -6.562 -15.058 1.00 75.24 H new ATOM 0 HA MET A 25 -5.435 -6.768 -14.191 1.00 41.52 H new ATOM 0 HB2 MET A 25 -4.695 -8.730 -13.071 1.00 1.01 H new ATOM 0 HB3 MET A 25 -3.806 -8.678 -14.581 1.00 1.01 H new ATOM 0 HG2 MET A 25 -2.029 -9.106 -13.238 1.00 3.23 H new ATOM 0 HG3 MET A 25 -2.036 -7.367 -13.021 1.00 3.23 H new ATOM 0 HE1 MET A 25 -1.169 -9.544 -9.760 1.00 55.21 H new ATOM 0 HE2 MET A 25 -0.573 -9.102 -11.378 1.00 55.21 H new ATOM 0 HE3 MET A 25 -0.769 -7.849 -10.129 1.00 55.21 H new ATOM 357 N ALA A 26 -3.182 -5.368 -12.269 1.00 51.13 N ATOM 358 CA ALA A 26 -2.994 -4.586 -11.054 1.00 4.41 C ATOM 359 C ALA A 26 -3.923 -3.377 -11.029 1.00 72.02 C ATOM 360 O ALA A 26 -4.438 -2.998 -9.977 1.00 4.50 O ATOM 361 CB ALA A 26 -1.544 -4.141 -10.932 1.00 24.21 C ATOM 0 H ALA A 26 -2.361 -5.413 -12.873 1.00 51.13 H new ATOM 0 HA ALA A 26 -3.242 -5.220 -10.202 1.00 4.41 H new ATOM 0 HB1 ALA A 26 -1.418 -3.558 -10.020 1.00 24.21 H new ATOM 0 HB2 ALA A 26 -0.896 -5.017 -10.895 1.00 24.21 H new ATOM 0 HB3 ALA A 26 -1.277 -3.529 -11.794 1.00 24.21 H new ATOM 367 N LYS A 27 -4.134 -2.775 -12.195 1.00 33.03 N ATOM 368 CA LYS A 27 -5.002 -1.609 -12.308 1.00 75.10 C ATOM 369 C LYS A 27 -6.470 -2.010 -12.194 1.00 63.10 C ATOM 370 O LYS A 27 -7.278 -1.281 -11.621 1.00 34.22 O ATOM 371 CB LYS A 27 -4.760 -0.895 -13.639 1.00 51.54 C ATOM 372 CG LYS A 27 -3.377 -0.277 -13.755 1.00 52.03 C ATOM 373 CD LYS A 27 -3.340 1.122 -13.164 1.00 50.20 C ATOM 374 CE LYS A 27 -1.912 1.621 -13.002 1.00 53.23 C ATOM 375 NZ LYS A 27 -1.294 1.967 -14.312 1.00 61.01 N ATOM 0 H LYS A 27 -3.715 -3.076 -13.075 1.00 33.03 H new ATOM 0 HA LYS A 27 -4.764 -0.930 -11.489 1.00 75.10 H new ATOM 0 HB2 LYS A 27 -4.901 -1.605 -14.454 1.00 51.54 H new ATOM 0 HB3 LYS A 27 -5.510 -0.114 -13.764 1.00 51.54 H new ATOM 0 HG2 LYS A 27 -2.651 -0.909 -13.243 1.00 52.03 H new ATOM 0 HG3 LYS A 27 -3.082 -0.238 -14.804 1.00 52.03 H new ATOM 0 HD2 LYS A 27 -3.894 1.805 -13.808 1.00 50.20 H new ATOM 0 HD3 LYS A 27 -3.839 1.122 -12.195 1.00 50.20 H new ATOM 0 HE2 LYS A 27 -1.905 2.498 -12.354 1.00 53.23 H new ATOM 0 HE3 LYS A 27 -1.313 0.855 -12.509 1.00 53.23 H new ATOM 0 HZ1 LYS A 27 -0.322 2.303 -14.159 1.00 61.01 H new ATOM 0 HZ2 LYS A 27 -1.278 1.124 -14.921 1.00 61.01 H new ATOM 0 HZ3 LYS A 27 -1.851 2.716 -14.771 1.00 61.01 H new ATOM 389 N GLU A 28 -6.805 -3.174 -12.742 1.00 41.14 N ATOM 390 CA GLU A 28 -8.175 -3.671 -12.701 1.00 12.33 C ATOM 391 C GLU A 28 -8.614 -3.938 -11.264 1.00 3.54 C ATOM 392 O GLU A 28 -9.756 -3.668 -10.891 1.00 71.31 O ATOM 393 CB GLU A 28 -8.303 -4.950 -13.530 1.00 61.03 C ATOM 394 CG GLU A 28 -9.701 -5.183 -14.078 1.00 63.14 C ATOM 395 CD GLU A 28 -10.659 -5.708 -13.027 1.00 54.02 C ATOM 396 OE1 GLU A 28 -10.194 -6.384 -12.085 1.00 52.54 O ATOM 397 OE2 GLU A 28 -11.874 -5.444 -13.146 1.00 41.23 O ATOM 0 H GLU A 28 -6.147 -3.790 -13.219 1.00 41.14 H new ATOM 0 HA GLU A 28 -8.824 -2.905 -13.125 1.00 12.33 H new ATOM 0 HB2 GLU A 28 -7.599 -4.906 -14.361 1.00 61.03 H new ATOM 0 HB3 GLU A 28 -8.017 -5.802 -12.914 1.00 61.03 H new ATOM 0 HG2 GLU A 28 -10.089 -4.248 -14.483 1.00 63.14 H new ATOM 0 HG3 GLU A 28 -9.650 -5.892 -14.904 1.00 63.14 H new ATOM 404 N HIS A 29 -7.697 -4.469 -10.461 1.00 35.34 N ATOM 405 CA HIS A 29 -7.989 -4.773 -9.064 1.00 64.10 C ATOM 406 C HIS A 29 -7.880 -3.519 -8.201 1.00 75.44 C ATOM 407 O HIS A 29 -8.516 -3.419 -7.153 1.00 21.32 O ATOM 408 CB HIS A 29 -7.034 -5.848 -8.544 1.00 44.01 C ATOM 409 CG HIS A 29 -7.422 -7.238 -8.944 1.00 24.20 C ATOM 410 ND1 HIS A 29 -8.243 -8.040 -8.179 1.00 43.34 N ATOM 411 CD2 HIS A 29 -7.098 -7.968 -10.037 1.00 25.11 C ATOM 412 CE1 HIS A 29 -8.406 -9.203 -8.784 1.00 25.13 C ATOM 413 NE2 HIS A 29 -7.721 -9.185 -9.913 1.00 73.23 N ATOM 0 H HIS A 29 -6.747 -4.697 -10.753 1.00 35.34 H new ATOM 0 HA HIS A 29 -9.011 -5.146 -9.005 1.00 64.10 H new ATOM 0 HB2 HIS A 29 -6.030 -5.640 -8.913 1.00 44.01 H new ATOM 0 HB3 HIS A 29 -6.992 -5.790 -7.456 1.00 44.01 H new ATOM 0 HD2 HIS A 29 -6.467 -7.652 -10.854 1.00 25.11 H new ATOM 0 HE1 HIS A 29 -8.999 -10.028 -8.418 1.00 25.13 H new ATOM 0 HE2 HIS A 29 -7.664 -9.951 -10.584 1.00 73.23 H new ATOM 421 N ASN A 30 -7.071 -2.566 -8.650 1.00 43.14 N ATOM 422 CA ASN A 30 -6.878 -1.319 -7.919 1.00 33.14 C ATOM 423 C ASN A 30 -6.182 -1.573 -6.585 1.00 71.01 C ATOM 424 O ASN A 30 -6.624 -1.093 -5.541 1.00 55.41 O ATOM 425 CB ASN A 30 -8.224 -0.630 -7.681 1.00 64.13 C ATOM 426 CG ASN A 30 -9.141 -0.722 -8.886 1.00 5.33 C ATOM 427 OD1 ASN A 30 -8.876 -0.123 -9.928 1.00 50.42 O ATOM 428 ND2 ASN A 30 -10.226 -1.474 -8.747 1.00 22.20 N ATOM 0 H ASN A 30 -6.538 -2.633 -9.517 1.00 43.14 H new ATOM 0 HA ASN A 30 -6.245 -0.668 -8.521 1.00 33.14 H new ATOM 0 HB2 ASN A 30 -8.714 -1.083 -6.819 1.00 64.13 H new ATOM 0 HB3 ASN A 30 -8.054 0.418 -7.436 1.00 64.13 H new ATOM 0 HD21 ASN A 30 -10.880 -1.573 -9.523 1.00 22.20 H new ATOM 0 HD22 ASN A 30 -10.405 -1.952 -7.864 1.00 22.20 H new ATOM 435 N ILE A 31 -5.091 -2.330 -6.628 1.00 60.13 N ATOM 436 CA ILE A 31 -4.333 -2.646 -5.424 1.00 62.01 C ATOM 437 C ILE A 31 -3.056 -1.816 -5.345 1.00 30.12 C ATOM 438 O ILE A 31 -2.560 -1.321 -6.357 1.00 50.20 O ATOM 439 CB ILE A 31 -3.965 -4.140 -5.367 1.00 22.45 C ATOM 440 CG1 ILE A 31 -5.173 -5.001 -5.742 1.00 14.55 C ATOM 441 CG2 ILE A 31 -3.456 -4.508 -3.980 1.00 51.55 C ATOM 442 CD1 ILE A 31 -4.864 -6.479 -5.812 1.00 61.50 C ATOM 0 H ILE A 31 -4.712 -2.736 -7.484 1.00 60.13 H new ATOM 0 HA ILE A 31 -4.973 -2.405 -4.575 1.00 62.01 H new ATOM 0 HB ILE A 31 -3.170 -4.330 -6.088 1.00 22.45 H new ATOM 0 HG12 ILE A 31 -5.966 -4.838 -5.012 1.00 14.55 H new ATOM 0 HG13 ILE A 31 -5.557 -4.672 -6.708 1.00 14.55 H new ATOM 0 HG21 ILE A 31 -3.200 -5.567 -3.956 1.00 51.55 H new ATOM 0 HG22 ILE A 31 -2.571 -3.915 -3.748 1.00 51.55 H new ATOM 0 HG23 ILE A 31 -4.232 -4.305 -3.242 1.00 51.55 H new ATOM 0 HD11 ILE A 31 -5.766 -7.027 -6.083 1.00 61.50 H new ATOM 0 HD12 ILE A 31 -4.094 -6.655 -6.563 1.00 61.50 H new ATOM 0 HD13 ILE A 31 -4.509 -6.823 -4.841 1.00 61.50 H new ATOM 454 N LYS A 32 -2.527 -1.669 -4.135 1.00 23.20 N ATOM 455 CA LYS A 32 -1.305 -0.902 -3.922 1.00 32.13 C ATOM 456 C LYS A 32 -0.089 -1.660 -4.445 1.00 2.45 C ATOM 457 O LYS A 32 0.693 -2.209 -3.669 1.00 22.52 O ATOM 458 CB LYS A 32 -1.126 -0.593 -2.434 1.00 1.13 C ATOM 459 CG LYS A 32 -1.217 -1.819 -1.542 1.00 72.33 C ATOM 460 CD LYS A 32 -2.318 -1.674 -0.505 1.00 2.12 C ATOM 461 CE LYS A 32 -2.994 -3.006 -0.219 1.00 71.03 C ATOM 462 NZ LYS A 32 -2.562 -3.579 1.086 1.00 52.13 N ATOM 0 H LYS A 32 -2.926 -2.071 -3.287 1.00 23.20 H new ATOM 0 HA LYS A 32 -1.392 0.034 -4.473 1.00 32.13 H new ATOM 0 HB2 LYS A 32 -0.157 -0.117 -2.285 1.00 1.13 H new ATOM 0 HB3 LYS A 32 -1.885 0.126 -2.127 1.00 1.13 H new ATOM 0 HG2 LYS A 32 -1.406 -2.702 -2.153 1.00 72.33 H new ATOM 0 HG3 LYS A 32 -0.262 -1.977 -1.041 1.00 72.33 H new ATOM 0 HD2 LYS A 32 -1.899 -1.272 0.418 1.00 2.12 H new ATOM 0 HD3 LYS A 32 -3.059 -0.957 -0.858 1.00 2.12 H new ATOM 0 HE2 LYS A 32 -4.076 -2.871 -0.216 1.00 71.03 H new ATOM 0 HE3 LYS A 32 -2.763 -3.710 -1.019 1.00 71.03 H new ATOM 0 HZ1 LYS A 32 -3.045 -4.486 1.244 1.00 52.13 H new ATOM 0 HZ2 LYS A 32 -1.533 -3.732 1.075 1.00 52.13 H new ATOM 0 HZ3 LYS A 32 -2.805 -2.919 1.852 1.00 52.13 H new ATOM 476 N VAL A 33 0.066 -1.683 -5.765 1.00 33.24 N ATOM 477 CA VAL A 33 1.189 -2.371 -6.391 1.00 14.13 C ATOM 478 C VAL A 33 2.089 -1.390 -7.133 1.00 50.02 C ATOM 479 O VAL A 33 1.630 -0.641 -7.996 1.00 62.53 O ATOM 480 CB VAL A 33 0.706 -3.453 -7.374 1.00 71.35 C ATOM 481 CG1 VAL A 33 1.877 -4.294 -7.860 1.00 33.31 C ATOM 482 CG2 VAL A 33 -0.356 -4.328 -6.725 1.00 11.41 C ATOM 0 H VAL A 33 -0.572 -1.233 -6.422 1.00 33.24 H new ATOM 0 HA VAL A 33 1.756 -2.846 -5.590 1.00 14.13 H new ATOM 0 HB VAL A 33 0.260 -2.960 -8.238 1.00 71.35 H new ATOM 0 HG11 VAL A 33 1.516 -5.053 -8.554 1.00 33.31 H new ATOM 0 HG12 VAL A 33 2.599 -3.654 -8.366 1.00 33.31 H new ATOM 0 HG13 VAL A 33 2.355 -4.778 -7.009 1.00 33.31 H new ATOM 0 HG21 VAL A 33 -0.686 -5.087 -7.435 1.00 11.41 H new ATOM 0 HG22 VAL A 33 0.062 -4.813 -5.843 1.00 11.41 H new ATOM 0 HG23 VAL A 33 -1.206 -3.712 -6.432 1.00 11.41 H new ATOM 492 N ASP A 34 3.373 -1.399 -6.792 1.00 72.51 N ATOM 493 CA ASP A 34 4.339 -0.511 -7.428 1.00 24.45 C ATOM 494 C ASP A 34 5.298 -1.298 -8.316 1.00 22.24 C ATOM 495 O ASP A 34 6.453 -1.522 -7.953 1.00 5.03 O ATOM 496 CB ASP A 34 5.125 0.264 -6.369 1.00 30.44 C ATOM 497 CG ASP A 34 5.641 1.591 -6.887 1.00 45.23 C ATOM 498 OD1 ASP A 34 6.018 1.657 -8.076 1.00 4.32 O ATOM 499 OD2 ASP A 34 5.670 2.564 -6.104 1.00 53.14 O ATOM 0 H ASP A 34 3.769 -2.011 -6.079 1.00 72.51 H new ATOM 0 HA ASP A 34 3.791 0.195 -8.052 1.00 24.45 H new ATOM 0 HB2 ASP A 34 4.487 0.439 -5.503 1.00 30.44 H new ATOM 0 HB3 ASP A 34 5.965 -0.341 -6.029 1.00 30.44 H new ATOM 504 N ILE A 35 4.811 -1.716 -9.479 1.00 41.22 N ATOM 505 CA ILE A 35 5.625 -2.477 -10.418 1.00 60.44 C ATOM 506 C ILE A 35 6.909 -1.731 -10.764 1.00 51.13 C ATOM 507 O ILE A 35 6.901 -0.515 -10.957 1.00 12.24 O ATOM 508 CB ILE A 35 4.853 -2.778 -11.717 1.00 5.01 C ATOM 509 CG1 ILE A 35 3.555 -3.525 -11.403 1.00 42.54 C ATOM 510 CG2 ILE A 35 5.719 -3.587 -12.672 1.00 14.21 C ATOM 511 CD1 ILE A 35 2.640 -3.673 -12.598 1.00 53.34 C ATOM 0 H ILE A 35 3.857 -1.541 -9.794 1.00 41.22 H new ATOM 0 HA ILE A 35 5.876 -3.418 -9.927 1.00 60.44 H new ATOM 0 HB ILE A 35 4.599 -1.834 -12.199 1.00 5.01 H new ATOM 0 HG12 ILE A 35 3.799 -4.515 -11.017 1.00 42.54 H new ATOM 0 HG13 ILE A 35 3.023 -2.997 -10.612 1.00 42.54 H new ATOM 0 HG21 ILE A 35 5.160 -3.792 -13.585 1.00 14.21 H new ATOM 0 HG22 ILE A 35 6.618 -3.021 -12.916 1.00 14.21 H new ATOM 0 HG23 ILE A 35 6.000 -4.528 -12.200 1.00 14.21 H new ATOM 0 HD11 ILE A 35 1.740 -4.212 -12.302 1.00 53.34 H new ATOM 0 HD12 ILE A 35 2.366 -2.686 -12.971 1.00 53.34 H new ATOM 0 HD13 ILE A 35 3.154 -4.228 -13.383 1.00 53.34 H new ATOM 523 N LYS A 36 8.012 -2.467 -10.844 1.00 31.42 N ATOM 524 CA LYS A 36 9.305 -1.877 -11.170 1.00 33.30 C ATOM 525 C LYS A 36 10.271 -2.937 -11.690 1.00 53.14 C ATOM 526 O LYS A 36 10.114 -4.124 -11.408 1.00 35.30 O ATOM 527 CB LYS A 36 9.900 -1.190 -9.939 1.00 12.01 C ATOM 528 CG LYS A 36 9.943 0.324 -10.049 1.00 43.33 C ATOM 529 CD LYS A 36 11.249 0.885 -9.511 1.00 53.40 C ATOM 530 CE LYS A 36 11.138 1.238 -8.036 1.00 34.14 C ATOM 531 NZ LYS A 36 10.257 2.418 -7.812 1.00 63.00 N ATOM 0 H LYS A 36 8.036 -3.475 -10.687 1.00 31.42 H new ATOM 0 HA LYS A 36 9.151 -1.135 -11.954 1.00 33.30 H new ATOM 0 HB2 LYS A 36 9.315 -1.466 -9.061 1.00 12.01 H new ATOM 0 HB3 LYS A 36 10.911 -1.563 -9.778 1.00 12.01 H new ATOM 0 HG2 LYS A 36 9.822 0.618 -11.092 1.00 43.33 H new ATOM 0 HG3 LYS A 36 9.107 0.754 -9.498 1.00 43.33 H new ATOM 0 HD2 LYS A 36 12.046 0.155 -9.652 1.00 53.40 H new ATOM 0 HD3 LYS A 36 11.526 1.773 -10.079 1.00 53.40 H new ATOM 0 HE2 LYS A 36 10.745 0.382 -7.487 1.00 34.14 H new ATOM 0 HE3 LYS A 36 12.131 1.445 -7.637 1.00 34.14 H new ATOM 0 HZ1 LYS A 36 10.475 2.844 -6.889 1.00 63.00 H new ATOM 0 HZ2 LYS A 36 10.418 3.119 -8.563 1.00 63.00 H new ATOM 0 HZ3 LYS A 36 9.262 2.116 -7.828 1.00 63.00 H new ATOM 545 N GLN A 37 11.270 -2.499 -12.450 1.00 14.42 N ATOM 546 CA GLN A 37 12.261 -3.411 -13.008 1.00 51.52 C ATOM 547 C GLN A 37 13.660 -2.809 -12.928 1.00 40.25 C ATOM 548 O GLN A 37 13.877 -1.663 -13.324 1.00 73.14 O ATOM 549 CB GLN A 37 11.918 -3.743 -14.461 1.00 52.23 C ATOM 550 CG GLN A 37 10.442 -4.030 -14.688 1.00 2.32 C ATOM 551 CD GLN A 37 10.203 -4.975 -15.849 1.00 11.15 C ATOM 552 OE1 GLN A 37 10.836 -4.860 -16.898 1.00 63.42 O ATOM 553 NE2 GLN A 37 9.285 -5.917 -15.666 1.00 13.42 N ATOM 0 H GLN A 37 11.414 -1.519 -12.693 1.00 14.42 H new ATOM 0 HA GLN A 37 12.246 -4.329 -12.420 1.00 51.52 H new ATOM 0 HB2 GLN A 37 12.219 -2.910 -15.096 1.00 52.23 H new ATOM 0 HB3 GLN A 37 12.500 -4.610 -14.774 1.00 52.23 H new ATOM 0 HG2 GLN A 37 10.016 -4.459 -13.781 1.00 2.32 H new ATOM 0 HG3 GLN A 37 9.918 -3.093 -14.874 1.00 2.32 H new ATOM 0 HE21 GLN A 37 8.784 -5.975 -14.779 1.00 13.42 H new ATOM 0 HE22 GLN A 37 9.081 -6.582 -16.412 1.00 13.42 H new ATOM 562 N ILE A 38 14.605 -3.588 -12.414 1.00 64.01 N ATOM 563 CA ILE A 38 15.984 -3.132 -12.284 1.00 15.45 C ATOM 564 C ILE A 38 16.966 -4.264 -12.561 1.00 43.14 C ATOM 565 O ILE A 38 16.613 -5.441 -12.485 1.00 52.22 O ATOM 566 CB ILE A 38 16.257 -2.562 -10.879 1.00 23.52 C ATOM 567 CG1 ILE A 38 16.488 -3.699 -9.880 1.00 55.33 C ATOM 568 CG2 ILE A 38 15.101 -1.681 -10.430 1.00 21.53 C ATOM 569 CD1 ILE A 38 15.317 -4.651 -9.768 1.00 45.21 C ATOM 0 H ILE A 38 14.442 -4.538 -12.081 1.00 64.01 H new ATOM 0 HA ILE A 38 16.127 -2.343 -13.022 1.00 15.45 H new ATOM 0 HB ILE A 38 17.158 -1.950 -10.920 1.00 23.52 H new ATOM 0 HG12 ILE A 38 17.374 -4.259 -10.178 1.00 55.33 H new ATOM 0 HG13 ILE A 38 16.695 -3.273 -8.898 1.00 55.33 H new ATOM 0 HG21 ILE A 38 15.309 -1.286 -9.436 1.00 21.53 H new ATOM 0 HG22 ILE A 38 14.980 -0.855 -11.131 1.00 21.53 H new ATOM 0 HG23 ILE A 38 14.184 -2.270 -10.402 1.00 21.53 H new ATOM 0 HD11 ILE A 38 15.550 -5.431 -9.043 1.00 45.21 H new ATOM 0 HD12 ILE A 38 14.433 -4.104 -9.440 1.00 45.21 H new ATOM 0 HD13 ILE A 38 15.123 -5.105 -10.740 1.00 45.21 H new ATOM 581 N LYS A 39 18.203 -3.901 -12.883 1.00 4.34 N ATOM 582 CA LYS A 39 19.240 -4.885 -13.169 1.00 43.12 C ATOM 583 C LYS A 39 19.498 -5.773 -11.956 1.00 12.11 C ATOM 584 O LYS A 39 19.218 -5.385 -10.821 1.00 74.41 O ATOM 585 CB LYS A 39 20.536 -4.185 -13.586 1.00 54.21 C ATOM 586 CG LYS A 39 20.664 -3.987 -15.087 1.00 25.34 C ATOM 587 CD LYS A 39 21.206 -5.232 -15.768 1.00 64.44 C ATOM 588 CE LYS A 39 22.676 -5.452 -15.443 1.00 12.55 C ATOM 589 NZ LYS A 39 23.342 -6.326 -16.447 1.00 3.11 N ATOM 0 H LYS A 39 18.512 -2.931 -12.952 1.00 4.34 H new ATOM 0 HA LYS A 39 18.893 -5.513 -13.990 1.00 43.12 H new ATOM 0 HB2 LYS A 39 20.589 -3.214 -13.094 1.00 54.21 H new ATOM 0 HB3 LYS A 39 21.385 -4.769 -13.231 1.00 54.21 H new ATOM 0 HG2 LYS A 39 19.690 -3.736 -15.506 1.00 25.34 H new ATOM 0 HG3 LYS A 39 21.324 -3.144 -15.289 1.00 25.34 H new ATOM 0 HD2 LYS A 39 20.629 -6.101 -15.452 1.00 64.44 H new ATOM 0 HD3 LYS A 39 21.081 -5.141 -16.847 1.00 64.44 H new ATOM 0 HE2 LYS A 39 23.187 -4.490 -15.403 1.00 12.55 H new ATOM 0 HE3 LYS A 39 22.766 -5.901 -14.454 1.00 12.55 H new ATOM 0 HZ1 LYS A 39 24.342 -6.451 -16.190 1.00 3.11 H new ATOM 0 HZ2 LYS A 39 22.871 -7.253 -16.467 1.00 3.11 H new ATOM 0 HZ3 LYS A 39 23.279 -5.885 -17.387 1.00 3.11 H new ATOM 603 N ILE A 40 20.033 -6.963 -12.203 1.00 24.51 N ATOM 604 CA ILE A 40 20.331 -7.904 -11.130 1.00 33.21 C ATOM 605 C ILE A 40 21.128 -7.234 -10.016 1.00 52.31 C ATOM 606 O ILE A 40 20.892 -7.480 -8.833 1.00 32.22 O ATOM 607 CB ILE A 40 21.120 -9.120 -11.650 1.00 33.30 C ATOM 608 CG1 ILE A 40 21.453 -10.070 -10.498 1.00 21.23 C ATOM 609 CG2 ILE A 40 22.390 -8.666 -12.354 1.00 32.24 C ATOM 610 CD1 ILE A 40 20.233 -10.588 -9.769 1.00 12.31 C ATOM 0 H ILE A 40 20.269 -7.299 -13.137 1.00 24.51 H new ATOM 0 HA ILE A 40 19.374 -8.244 -10.735 1.00 33.21 H new ATOM 0 HB ILE A 40 20.501 -9.655 -12.370 1.00 33.30 H new ATOM 0 HG12 ILE A 40 22.020 -10.916 -10.888 1.00 21.23 H new ATOM 0 HG13 ILE A 40 22.099 -9.554 -9.788 1.00 21.23 H new ATOM 0 HG21 ILE A 40 22.937 -9.537 -12.716 1.00 32.24 H new ATOM 0 HG22 ILE A 40 22.130 -8.025 -13.196 1.00 32.24 H new ATOM 0 HG23 ILE A 40 23.015 -8.110 -11.655 1.00 32.24 H new ATOM 0 HD11 ILE A 40 20.545 -11.255 -8.966 1.00 12.31 H new ATOM 0 HD12 ILE A 40 19.677 -9.750 -9.349 1.00 12.31 H new ATOM 0 HD13 ILE A 40 19.597 -11.133 -10.466 1.00 12.31 H new ATOM 622 N THR A 41 22.073 -6.382 -10.402 1.00 61.22 N ATOM 623 CA THR A 41 22.905 -5.675 -9.437 1.00 41.12 C ATOM 624 C THR A 41 22.088 -4.658 -8.648 1.00 24.22 C ATOM 625 O THR A 41 22.357 -4.412 -7.472 1.00 55.15 O ATOM 626 CB THR A 41 24.075 -4.951 -10.129 1.00 5.53 C ATOM 627 OG1 THR A 41 24.744 -4.096 -9.194 1.00 32.20 O ATOM 628 CG2 THR A 41 23.581 -4.130 -11.310 1.00 44.43 C ATOM 0 H THR A 41 22.281 -6.165 -11.377 1.00 61.22 H new ATOM 0 HA THR A 41 23.304 -6.425 -8.754 1.00 41.12 H new ATOM 0 HB THR A 41 24.772 -5.704 -10.496 1.00 5.53 H new ATOM 0 HG1 THR A 41 25.488 -3.640 -9.641 1.00 32.20 H new ATOM 0 HG21 THR A 41 24.425 -3.628 -11.783 1.00 44.43 H new ATOM 0 HG22 THR A 41 23.098 -4.787 -12.033 1.00 44.43 H new ATOM 0 HG23 THR A 41 22.865 -3.386 -10.962 1.00 44.43 H new ATOM 636 N GLU A 42 21.091 -4.072 -9.302 1.00 14.42 N ATOM 637 CA GLU A 42 20.235 -3.081 -8.659 1.00 70.01 C ATOM 638 C GLU A 42 19.340 -3.734 -7.609 1.00 44.13 C ATOM 639 O GLU A 42 18.915 -3.088 -6.651 1.00 61.13 O ATOM 640 CB GLU A 42 19.376 -2.363 -9.702 1.00 72.21 C ATOM 641 CG GLU A 42 20.015 -1.099 -10.252 1.00 63.52 C ATOM 642 CD GLU A 42 20.332 -0.087 -9.169 1.00 11.31 C ATOM 643 OE1 GLU A 42 21.478 0.408 -9.137 1.00 3.02 O ATOM 644 OE2 GLU A 42 19.434 0.211 -8.354 1.00 23.04 O ATOM 0 H GLU A 42 20.856 -4.265 -10.275 1.00 14.42 H new ATOM 0 HA GLU A 42 20.876 -2.352 -8.163 1.00 70.01 H new ATOM 0 HB2 GLU A 42 19.174 -3.046 -10.527 1.00 72.21 H new ATOM 0 HB3 GLU A 42 18.414 -2.109 -9.256 1.00 72.21 H new ATOM 0 HG2 GLU A 42 20.932 -1.360 -10.780 1.00 63.52 H new ATOM 0 HG3 GLU A 42 19.345 -0.646 -10.983 1.00 63.52 H new ATOM 651 N VAL A 43 19.058 -5.019 -7.797 1.00 63.23 N ATOM 652 CA VAL A 43 18.215 -5.761 -6.867 1.00 40.24 C ATOM 653 C VAL A 43 18.889 -5.903 -5.508 1.00 3.25 C ATOM 654 O VAL A 43 18.222 -6.039 -4.483 1.00 71.11 O ATOM 655 CB VAL A 43 17.879 -7.162 -7.410 1.00 73.52 C ATOM 656 CG1 VAL A 43 17.067 -7.949 -6.392 1.00 54.34 C ATOM 657 CG2 VAL A 43 17.133 -7.057 -8.732 1.00 44.31 C ATOM 0 H VAL A 43 19.401 -5.568 -8.585 1.00 63.23 H new ATOM 0 HA VAL A 43 17.292 -5.192 -6.754 1.00 40.24 H new ATOM 0 HB VAL A 43 18.812 -7.697 -7.587 1.00 73.52 H new ATOM 0 HG11 VAL A 43 16.839 -8.936 -6.793 1.00 54.34 H new ATOM 0 HG12 VAL A 43 17.642 -8.055 -5.472 1.00 54.34 H new ATOM 0 HG13 VAL A 43 16.138 -7.420 -6.180 1.00 54.34 H new ATOM 0 HG21 VAL A 43 16.904 -8.057 -9.101 1.00 44.31 H new ATOM 0 HG22 VAL A 43 16.206 -6.504 -8.584 1.00 44.31 H new ATOM 0 HG23 VAL A 43 17.754 -6.535 -9.460 1.00 44.31 H new ATOM 667 N GLY A 44 20.219 -5.869 -5.506 1.00 34.34 N ATOM 668 CA GLY A 44 20.962 -5.995 -4.266 1.00 20.14 C ATOM 669 C GLY A 44 20.426 -5.091 -3.174 1.00 11.51 C ATOM 670 O GLY A 44 19.890 -5.550 -2.165 1.00 55.33 O ATOM 0 H GLY A 44 20.794 -5.756 -6.341 1.00 34.34 H new ATOM 0 HA2 GLY A 44 20.924 -7.030 -3.927 1.00 20.14 H new ATOM 0 HA3 GLY A 44 22.010 -5.757 -4.448 1.00 20.14 H new ATOM 674 N PRO A 45 20.571 -3.771 -3.369 1.00 34.42 N ATOM 675 CA PRO A 45 20.104 -2.773 -2.403 1.00 0.53 C ATOM 676 C PRO A 45 18.583 -2.695 -2.338 1.00 35.33 C ATOM 677 O PRO A 45 18.016 -2.263 -1.334 1.00 55.51 O ATOM 678 CB PRO A 45 20.684 -1.462 -2.940 1.00 14.40 C ATOM 679 CG PRO A 45 20.860 -1.696 -4.401 1.00 24.05 C ATOM 680 CD PRO A 45 21.200 -3.153 -4.548 1.00 23.42 C ATOM 0 HA PRO A 45 20.419 -3.011 -1.387 1.00 0.53 H new ATOM 0 HB2 PRO A 45 20.012 -0.625 -2.751 1.00 14.40 H new ATOM 0 HB3 PRO A 45 21.633 -1.223 -2.460 1.00 14.40 H new ATOM 0 HG2 PRO A 45 19.950 -1.450 -4.948 1.00 24.05 H new ATOM 0 HG3 PRO A 45 21.654 -1.067 -4.804 1.00 24.05 H new ATOM 0 HD2 PRO A 45 20.806 -3.566 -5.477 1.00 23.42 H new ATOM 0 HD3 PRO A 45 22.278 -3.315 -4.560 1.00 23.42 H new ATOM 688 N TYR A 46 17.927 -3.118 -3.413 1.00 41.51 N ATOM 689 CA TYR A 46 16.471 -3.094 -3.479 1.00 33.24 C ATOM 690 C TYR A 46 15.883 -4.424 -3.017 1.00 21.30 C ATOM 691 O TYR A 46 14.871 -4.884 -3.545 1.00 21.24 O ATOM 692 CB TYR A 46 16.008 -2.787 -4.904 1.00 2.11 C ATOM 693 CG TYR A 46 16.041 -1.315 -5.247 1.00 41.30 C ATOM 694 CD1 TYR A 46 15.387 -0.382 -4.452 1.00 54.53 C ATOM 695 CD2 TYR A 46 16.725 -0.857 -6.366 1.00 45.01 C ATOM 696 CE1 TYR A 46 15.413 0.965 -4.762 1.00 62.41 C ATOM 697 CE2 TYR A 46 16.759 0.487 -6.683 1.00 13.23 C ATOM 698 CZ TYR A 46 16.101 1.394 -5.878 1.00 31.01 C ATOM 699 OH TYR A 46 16.130 2.734 -6.191 1.00 24.32 O ATOM 0 H TYR A 46 18.381 -3.482 -4.251 1.00 41.51 H new ATOM 0 HA TYR A 46 16.116 -2.308 -2.812 1.00 33.24 H new ATOM 0 HB2 TYR A 46 16.640 -3.330 -5.607 1.00 2.11 H new ATOM 0 HB3 TYR A 46 14.992 -3.159 -5.035 1.00 2.11 H new ATOM 0 HD1 TYR A 46 14.849 -0.715 -3.577 1.00 54.53 H new ATOM 0 HD2 TYR A 46 17.239 -1.564 -6.999 1.00 45.01 H new ATOM 0 HE1 TYR A 46 14.898 1.677 -4.134 1.00 62.41 H new ATOM 0 HE2 TYR A 46 17.297 0.826 -7.556 1.00 13.23 H new ATOM 0 HH TYR A 46 16.658 2.868 -7.006 1.00 24.32 H new ATOM 709 N GLU A 47 16.526 -5.036 -2.028 1.00 24.45 N ATOM 710 CA GLU A 47 16.068 -6.314 -1.494 1.00 41.23 C ATOM 711 C GLU A 47 15.245 -6.110 -0.225 1.00 63.04 C ATOM 712 O GLU A 47 14.198 -6.732 -0.045 1.00 42.11 O ATOM 713 CB GLU A 47 17.261 -7.227 -1.201 1.00 55.40 C ATOM 714 CG GLU A 47 17.669 -8.093 -2.381 1.00 11.51 C ATOM 715 CD GLU A 47 17.288 -9.548 -2.196 1.00 34.43 C ATOM 716 OE1 GLU A 47 18.038 -10.423 -2.676 1.00 24.41 O ATOM 717 OE2 GLU A 47 16.239 -9.813 -1.571 1.00 41.14 O ATOM 0 H GLU A 47 17.365 -4.668 -1.580 1.00 24.45 H new ATOM 0 HA GLU A 47 15.435 -6.786 -2.245 1.00 41.23 H new ATOM 0 HB2 GLU A 47 18.111 -6.615 -0.899 1.00 55.40 H new ATOM 0 HB3 GLU A 47 17.016 -7.871 -0.356 1.00 55.40 H new ATOM 0 HG2 GLU A 47 17.199 -7.711 -3.287 1.00 11.51 H new ATOM 0 HG3 GLU A 47 18.747 -8.019 -2.526 1.00 11.51 H new ATOM 724 N ASP A 48 15.727 -5.236 0.651 1.00 42.52 N ATOM 725 CA ASP A 48 15.037 -4.949 1.903 1.00 3.51 C ATOM 726 C ASP A 48 13.742 -4.185 1.647 1.00 13.11 C ATOM 727 O ASP A 48 12.681 -4.551 2.155 1.00 42.10 O ATOM 728 CB ASP A 48 15.943 -4.143 2.836 1.00 12.00 C ATOM 729 CG ASP A 48 15.537 -4.273 4.291 1.00 2.10 C ATOM 730 OD1 ASP A 48 14.751 -5.190 4.609 1.00 53.25 O ATOM 731 OD2 ASP A 48 16.007 -3.458 5.112 1.00 31.24 O ATOM 0 H ASP A 48 16.593 -4.714 0.517 1.00 42.52 H new ATOM 0 HA ASP A 48 14.790 -5.898 2.379 1.00 3.51 H new ATOM 0 HB2 ASP A 48 16.973 -4.479 2.718 1.00 12.00 H new ATOM 0 HB3 ASP A 48 15.916 -3.093 2.546 1.00 12.00 H new ATOM 736 N THR A 49 13.835 -3.120 0.856 1.00 34.14 N ATOM 737 CA THR A 49 12.671 -2.303 0.535 1.00 63.33 C ATOM 738 C THR A 49 11.621 -3.114 -0.215 1.00 54.04 C ATOM 739 O THR A 49 10.446 -3.115 0.151 1.00 31.31 O ATOM 740 CB THR A 49 13.062 -1.079 -0.315 1.00 71.31 C ATOM 741 OG1 THR A 49 13.623 -1.507 -1.561 1.00 4.00 O ATOM 742 CG2 THR A 49 14.063 -0.204 0.424 1.00 32.33 C ATOM 0 H THR A 49 14.704 -2.803 0.426 1.00 34.14 H new ATOM 0 HA THR A 49 12.253 -1.960 1.482 1.00 63.33 H new ATOM 0 HB THR A 49 12.162 -0.493 -0.504 1.00 71.31 H new ATOM 0 HG1 THR A 49 14.538 -1.167 -1.642 1.00 4.00 H new ATOM 0 HG21 THR A 49 14.324 0.654 -0.196 1.00 32.33 H new ATOM 0 HG22 THR A 49 13.622 0.144 1.358 1.00 32.33 H new ATOM 0 HG23 THR A 49 14.961 -0.782 0.640 1.00 32.33 H new ATOM 750 N ALA A 50 12.051 -3.803 -1.267 1.00 23.21 N ATOM 751 CA ALA A 50 11.148 -4.621 -2.067 1.00 14.51 C ATOM 752 C ALA A 50 10.446 -5.666 -1.206 1.00 53.34 C ATOM 753 O ALA A 50 11.020 -6.180 -0.247 1.00 34.35 O ATOM 754 CB ALA A 50 11.908 -5.292 -3.201 1.00 54.12 C ATOM 0 H ALA A 50 13.020 -3.811 -1.585 1.00 23.21 H new ATOM 0 HA ALA A 50 10.386 -3.968 -2.492 1.00 14.51 H new ATOM 0 HB1 ALA A 50 11.221 -5.900 -3.790 1.00 54.12 H new ATOM 0 HB2 ALA A 50 12.357 -4.531 -3.839 1.00 54.12 H new ATOM 0 HB3 ALA A 50 12.691 -5.927 -2.788 1.00 54.12 H new ATOM 760 N ASP A 51 9.202 -5.974 -1.556 1.00 33.12 N ATOM 761 CA ASP A 51 8.421 -6.959 -0.815 1.00 44.42 C ATOM 762 C ASP A 51 8.227 -8.228 -1.638 1.00 74.21 C ATOM 763 O ASP A 51 8.468 -9.336 -1.157 1.00 32.13 O ATOM 764 CB ASP A 51 7.062 -6.375 -0.425 1.00 63.14 C ATOM 765 CG ASP A 51 6.528 -5.409 -1.464 1.00 53.12 C ATOM 766 OD1 ASP A 51 6.172 -5.865 -2.571 1.00 3.02 O ATOM 767 OD2 ASP A 51 6.466 -4.196 -1.171 1.00 34.32 O ATOM 0 H ASP A 51 8.713 -5.556 -2.348 1.00 33.12 H new ATOM 0 HA ASP A 51 8.970 -7.216 0.091 1.00 44.42 H new ATOM 0 HB2 ASP A 51 6.347 -7.186 -0.286 1.00 63.14 H new ATOM 0 HB3 ASP A 51 7.152 -5.862 0.532 1.00 63.14 H new ATOM 772 N LEU A 52 7.788 -8.060 -2.881 1.00 30.13 N ATOM 773 CA LEU A 52 7.559 -9.193 -3.771 1.00 45.33 C ATOM 774 C LEU A 52 8.357 -9.040 -5.063 1.00 14.53 C ATOM 775 O LEU A 52 8.034 -8.205 -5.909 1.00 54.10 O ATOM 776 CB LEU A 52 6.069 -9.323 -4.091 1.00 2.12 C ATOM 777 CG LEU A 52 5.544 -10.747 -4.273 1.00 33.31 C ATOM 778 CD1 LEU A 52 6.202 -11.410 -5.473 1.00 41.21 C ATOM 779 CD2 LEU A 52 5.779 -11.568 -3.013 1.00 11.41 C ATOM 0 H LEU A 52 7.584 -7.150 -3.295 1.00 30.13 H new ATOM 0 HA LEU A 52 7.895 -10.097 -3.262 1.00 45.33 H new ATOM 0 HB2 LEU A 52 5.503 -8.848 -3.290 1.00 2.12 H new ATOM 0 HB3 LEU A 52 5.863 -8.762 -5.003 1.00 2.12 H new ATOM 0 HG LEU A 52 4.470 -10.697 -4.455 1.00 33.31 H new ATOM 0 HD11 LEU A 52 5.816 -12.423 -5.586 1.00 41.21 H new ATOM 0 HD12 LEU A 52 5.982 -10.835 -6.372 1.00 41.21 H new ATOM 0 HD13 LEU A 52 7.281 -11.448 -5.322 1.00 41.21 H new ATOM 0 HD21 LEU A 52 5.399 -12.579 -3.161 1.00 11.41 H new ATOM 0 HD22 LEU A 52 6.847 -11.610 -2.800 1.00 11.41 H new ATOM 0 HD23 LEU A 52 5.259 -11.104 -2.174 1.00 11.41 H new ATOM 791 N LEU A 53 9.398 -9.851 -5.209 1.00 32.43 N ATOM 792 CA LEU A 53 10.241 -9.808 -6.399 1.00 33.23 C ATOM 793 C LEU A 53 9.883 -10.936 -7.361 1.00 34.42 C ATOM 794 O LEU A 53 9.566 -12.049 -6.939 1.00 41.14 O ATOM 795 CB LEU A 53 11.716 -9.906 -6.007 1.00 20.04 C ATOM 796 CG LEU A 53 12.720 -9.877 -7.159 1.00 42.13 C ATOM 797 CD1 LEU A 53 12.538 -8.619 -7.995 1.00 33.24 C ATOM 798 CD2 LEU A 53 14.144 -9.965 -6.629 1.00 32.02 C ATOM 0 H LEU A 53 9.679 -10.547 -4.518 1.00 32.43 H new ATOM 0 HA LEU A 53 10.068 -8.857 -6.903 1.00 33.23 H new ATOM 0 HB2 LEU A 53 11.947 -9.084 -5.330 1.00 20.04 H new ATOM 0 HB3 LEU A 53 11.862 -10.830 -5.448 1.00 20.04 H new ATOM 0 HG LEU A 53 12.537 -10.742 -7.796 1.00 42.13 H new ATOM 0 HD11 LEU A 53 13.262 -8.616 -8.810 1.00 33.24 H new ATOM 0 HD12 LEU A 53 11.529 -8.598 -8.406 1.00 33.24 H new ATOM 0 HD13 LEU A 53 12.693 -7.740 -7.369 1.00 33.24 H new ATOM 0 HD21 LEU A 53 14.845 -9.943 -7.464 1.00 32.02 H new ATOM 0 HD22 LEU A 53 14.339 -9.120 -5.969 1.00 32.02 H new ATOM 0 HD23 LEU A 53 14.269 -10.895 -6.075 1.00 32.02 H new ATOM 810 N VAL A 54 9.937 -10.642 -8.656 1.00 72.20 N ATOM 811 CA VAL A 54 9.622 -11.632 -9.679 1.00 35.43 C ATOM 812 C VAL A 54 10.768 -11.779 -10.673 1.00 74.23 C ATOM 813 O VAL A 54 10.927 -10.961 -11.580 1.00 72.53 O ATOM 814 CB VAL A 54 8.337 -11.260 -10.443 1.00 63.24 C ATOM 815 CG1 VAL A 54 8.043 -12.288 -11.525 1.00 72.21 C ATOM 816 CG2 VAL A 54 7.164 -11.133 -9.483 1.00 61.14 C ATOM 0 H VAL A 54 10.196 -9.726 -9.022 1.00 72.20 H new ATOM 0 HA VAL A 54 9.468 -12.581 -9.165 1.00 35.43 H new ATOM 0 HB VAL A 54 8.488 -10.294 -10.925 1.00 63.24 H new ATOM 0 HG11 VAL A 54 7.132 -12.009 -12.054 1.00 72.21 H new ATOM 0 HG12 VAL A 54 8.875 -12.324 -12.229 1.00 72.21 H new ATOM 0 HG13 VAL A 54 7.911 -13.269 -11.069 1.00 72.21 H new ATOM 0 HG21 VAL A 54 6.265 -10.870 -10.040 1.00 61.14 H new ATOM 0 HG22 VAL A 54 7.009 -12.083 -8.971 1.00 61.14 H new ATOM 0 HG23 VAL A 54 7.377 -10.356 -8.749 1.00 61.14 H new ATOM 826 N THR A 55 11.565 -12.828 -10.498 1.00 64.20 N ATOM 827 CA THR A 55 12.698 -13.083 -11.379 1.00 52.13 C ATOM 828 C THR A 55 12.612 -14.474 -11.997 1.00 22.15 C ATOM 829 O THR A 55 12.601 -15.481 -11.287 1.00 2.42 O ATOM 830 CB THR A 55 14.036 -12.948 -10.628 1.00 33.51 C ATOM 831 OG1 THR A 55 15.107 -13.434 -11.445 1.00 2.53 O ATOM 832 CG2 THR A 55 14.001 -13.721 -9.318 1.00 15.33 C ATOM 0 H THR A 55 11.447 -13.515 -9.754 1.00 64.20 H new ATOM 0 HA THR A 55 12.658 -12.334 -12.170 1.00 52.13 H new ATOM 0 HB THR A 55 14.198 -11.893 -10.406 1.00 33.51 H new ATOM 0 HG1 THR A 55 15.391 -12.730 -12.065 1.00 2.53 H new ATOM 0 HG21 THR A 55 14.956 -13.611 -8.805 1.00 15.33 H new ATOM 0 HG22 THR A 55 13.203 -13.331 -8.686 1.00 15.33 H new ATOM 0 HG23 THR A 55 13.818 -14.776 -9.523 1.00 15.33 H new ATOM 840 N THR A 56 12.552 -14.525 -13.324 1.00 23.23 N ATOM 841 CA THR A 56 12.467 -15.793 -14.037 1.00 23.43 C ATOM 842 C THR A 56 13.852 -16.306 -14.415 1.00 4.44 C ATOM 843 O THR A 56 14.073 -16.755 -15.539 1.00 32.43 O ATOM 844 CB THR A 56 11.614 -15.664 -15.313 1.00 23.32 C ATOM 845 OG1 THR A 56 11.512 -16.935 -15.964 1.00 60.43 O ATOM 846 CG2 THR A 56 12.220 -14.647 -16.268 1.00 13.43 C ATOM 0 H THR A 56 12.561 -13.702 -13.927 1.00 23.23 H new ATOM 0 HA THR A 56 11.992 -16.504 -13.361 1.00 23.43 H new ATOM 0 HB THR A 56 10.620 -15.322 -15.026 1.00 23.32 H new ATOM 0 HG1 THR A 56 12.410 -17.288 -16.134 1.00 60.43 H new ATOM 0 HG21 THR A 56 11.600 -14.573 -17.162 1.00 13.43 H new ATOM 0 HG22 THR A 56 12.270 -13.674 -15.779 1.00 13.43 H new ATOM 0 HG23 THR A 56 13.224 -14.964 -16.548 1.00 13.43 H new ATOM 854 N ALA A 57 14.783 -16.235 -13.468 1.00 51.03 N ATOM 855 CA ALA A 57 16.146 -16.694 -13.702 1.00 23.42 C ATOM 856 C ALA A 57 16.718 -17.371 -12.460 1.00 51.33 C ATOM 857 O ALA A 57 16.018 -17.555 -11.465 1.00 3.43 O ATOM 858 CB ALA A 57 17.030 -15.531 -14.125 1.00 41.44 C ATOM 0 H ALA A 57 14.617 -15.864 -12.532 1.00 51.03 H new ATOM 0 HA ALA A 57 16.122 -17.429 -14.507 1.00 23.42 H new ATOM 0 HB1 ALA A 57 18.045 -15.889 -14.296 1.00 41.44 H new ATOM 0 HB2 ALA A 57 16.640 -15.093 -15.044 1.00 41.44 H new ATOM 0 HB3 ALA A 57 17.039 -14.776 -13.339 1.00 41.44 H new ATOM 954 N TYR A 63 17.873 -13.800 -0.846 1.00 55.23 N ATOM 955 CA TYR A 63 16.722 -12.912 -0.965 1.00 32.24 C ATOM 956 C TYR A 63 15.946 -12.848 0.348 1.00 42.04 C ATOM 957 O TYR A 63 15.765 -13.859 1.026 1.00 20.22 O ATOM 958 CB TYR A 63 15.801 -13.384 -2.091 1.00 42.25 C ATOM 959 CG TYR A 63 16.462 -13.389 -3.451 1.00 42.23 C ATOM 960 CD1 TYR A 63 17.107 -14.524 -3.928 1.00 14.11 C ATOM 961 CD2 TYR A 63 16.443 -12.259 -4.259 1.00 43.41 C ATOM 962 CE1 TYR A 63 17.713 -14.533 -5.169 1.00 74.04 C ATOM 963 CE2 TYR A 63 17.045 -12.259 -5.502 1.00 62.15 C ATOM 964 CZ TYR A 63 17.679 -13.399 -5.953 1.00 53.51 C ATOM 965 OH TYR A 63 18.281 -13.403 -7.190 1.00 52.44 O ATOM 0 HA TYR A 63 17.089 -11.913 -1.199 1.00 32.24 H new ATOM 0 HB2 TYR A 63 15.449 -14.390 -1.864 1.00 42.25 H new ATOM 0 HB3 TYR A 63 14.923 -12.739 -2.125 1.00 42.25 H new ATOM 0 HD1 TYR A 63 17.135 -15.414 -3.318 1.00 14.11 H new ATOM 0 HD2 TYR A 63 15.949 -11.365 -3.909 1.00 43.41 H new ATOM 0 HE1 TYR A 63 18.211 -15.423 -5.524 1.00 74.04 H new ATOM 0 HE2 TYR A 63 17.020 -11.372 -6.118 1.00 62.15 H new ATOM 0 HH TYR A 63 18.165 -12.527 -7.613 1.00 52.44 H new ATOM 975 N LYS A 64 15.489 -11.651 0.699 1.00 3.20 N ATOM 976 CA LYS A 64 14.731 -11.451 1.928 1.00 30.43 C ATOM 977 C LYS A 64 13.231 -11.477 1.653 1.00 50.15 C ATOM 978 O LYS A 64 12.462 -10.747 2.278 1.00 1.50 O ATOM 979 CB LYS A 64 15.118 -10.122 2.581 1.00 73.15 C ATOM 980 CG LYS A 64 16.588 -10.032 2.953 1.00 74.22 C ATOM 981 CD LYS A 64 16.923 -8.690 3.581 1.00 15.12 C ATOM 982 CE LYS A 64 16.741 -8.720 5.091 1.00 34.40 C ATOM 983 NZ LYS A 64 17.849 -9.448 5.769 1.00 70.54 N ATOM 0 H LYS A 64 15.631 -10.804 0.149 1.00 3.20 H new ATOM 0 HA LYS A 64 14.972 -12.267 2.610 1.00 30.43 H new ATOM 0 HB2 LYS A 64 14.874 -9.307 1.899 1.00 73.15 H new ATOM 0 HB3 LYS A 64 14.515 -9.979 3.478 1.00 73.15 H new ATOM 0 HG2 LYS A 64 16.838 -10.833 3.649 1.00 74.22 H new ATOM 0 HG3 LYS A 64 17.199 -10.181 2.063 1.00 74.22 H new ATOM 0 HD2 LYS A 64 17.952 -8.423 3.343 1.00 15.12 H new ATOM 0 HD3 LYS A 64 16.285 -7.917 3.152 1.00 15.12 H new ATOM 0 HE2 LYS A 64 16.691 -7.700 5.471 1.00 34.40 H new ATOM 0 HE3 LYS A 64 15.791 -9.197 5.333 1.00 34.40 H new ATOM 0 HZ1 LYS A 64 17.802 -9.276 6.794 1.00 70.54 H new ATOM 0 HZ2 LYS A 64 17.758 -10.468 5.585 1.00 70.54 H new ATOM 0 HZ3 LYS A 64 18.762 -9.110 5.403 1.00 70.54 H new ATOM 997 N PHE A 65 12.821 -12.323 0.714 1.00 70.25 N ATOM 998 CA PHE A 65 11.412 -12.444 0.356 1.00 65.24 C ATOM 999 C PHE A 65 11.174 -13.683 -0.503 1.00 31.03 C ATOM 1000 O PHE A 65 12.085 -14.214 -1.138 1.00 50.23 O ATOM 1001 CB PHE A 65 10.945 -11.194 -0.393 1.00 3.15 C ATOM 1002 CG PHE A 65 11.958 -10.665 -1.368 1.00 21.42 C ATOM 1003 CD1 PHE A 65 12.491 -9.396 -1.214 1.00 12.31 C ATOM 1004 CD2 PHE A 65 12.377 -11.438 -2.439 1.00 31.42 C ATOM 1005 CE1 PHE A 65 13.423 -8.907 -2.109 1.00 42.54 C ATOM 1006 CE2 PHE A 65 13.309 -10.955 -3.337 1.00 42.31 C ATOM 1007 CZ PHE A 65 13.832 -9.687 -3.173 1.00 1.10 C ATOM 0 H PHE A 65 13.444 -12.935 0.187 1.00 70.25 H new ATOM 0 HA PHE A 65 10.836 -12.544 1.276 1.00 65.24 H new ATOM 0 HB2 PHE A 65 10.023 -11.424 -0.928 1.00 3.15 H new ATOM 0 HB3 PHE A 65 10.707 -10.414 0.331 1.00 3.15 H new ATOM 0 HD1 PHE A 65 12.174 -8.781 -0.384 1.00 12.31 H new ATOM 0 HD2 PHE A 65 11.970 -12.429 -2.573 1.00 31.42 H new ATOM 0 HE1 PHE A 65 13.831 -7.916 -1.977 1.00 42.54 H new ATOM 0 HE2 PHE A 65 13.628 -11.568 -4.167 1.00 42.31 H new ATOM 0 HZ PHE A 65 14.559 -9.306 -3.875 1.00 1.10 H new ATOM 1017 N PRO A 66 9.919 -14.156 -0.522 1.00 31.11 N ATOM 1018 CA PRO A 66 9.530 -15.338 -1.298 1.00 1.43 C ATOM 1019 C PRO A 66 9.560 -15.080 -2.800 1.00 65.24 C ATOM 1020 O PRO A 66 8.525 -14.835 -3.419 1.00 40.44 O ATOM 1021 CB PRO A 66 8.098 -15.613 -0.831 1.00 45.11 C ATOM 1022 CG PRO A 66 7.593 -14.293 -0.361 1.00 12.20 C ATOM 1023 CD PRO A 66 8.783 -13.574 0.212 1.00 53.43 C ATOM 0 HA PRO A 66 10.212 -16.173 -1.139 1.00 1.43 H new ATOM 0 HB2 PRO A 66 7.485 -16.005 -1.643 1.00 45.11 H new ATOM 0 HB3 PRO A 66 8.078 -16.353 -0.030 1.00 45.11 H new ATOM 0 HG2 PRO A 66 7.154 -13.728 -1.183 1.00 12.20 H new ATOM 0 HG3 PRO A 66 6.814 -14.419 0.391 1.00 12.20 H new ATOM 0 HD2 PRO A 66 8.714 -12.497 0.058 1.00 53.43 H new ATOM 0 HD3 PRO A 66 8.872 -13.737 1.286 1.00 53.43 H new ATOM 1031 N VAL A 67 10.754 -15.138 -3.382 1.00 63.32 N ATOM 1032 CA VAL A 67 10.919 -14.913 -4.813 1.00 61.02 C ATOM 1033 C VAL A 67 9.950 -15.770 -5.620 1.00 23.53 C ATOM 1034 O VAL A 67 9.786 -16.960 -5.349 1.00 73.40 O ATOM 1035 CB VAL A 67 12.359 -15.219 -5.267 1.00 53.04 C ATOM 1036 CG1 VAL A 67 12.497 -15.028 -6.770 1.00 74.22 C ATOM 1037 CG2 VAL A 67 13.351 -14.343 -4.517 1.00 60.52 C ATOM 0 H VAL A 67 11.621 -15.339 -2.884 1.00 63.32 H new ATOM 0 HA VAL A 67 10.705 -13.860 -4.994 1.00 61.02 H new ATOM 0 HB VAL A 67 12.581 -16.261 -5.035 1.00 53.04 H new ATOM 0 HG11 VAL A 67 13.521 -15.249 -7.072 1.00 74.22 H new ATOM 0 HG12 VAL A 67 11.813 -15.701 -7.287 1.00 74.22 H new ATOM 0 HG13 VAL A 67 12.256 -13.997 -7.029 1.00 74.22 H new ATOM 0 HG21 VAL A 67 14.363 -14.572 -4.850 1.00 60.52 H new ATOM 0 HG22 VAL A 67 13.133 -13.294 -4.716 1.00 60.52 H new ATOM 0 HG23 VAL A 67 13.269 -14.534 -3.447 1.00 60.52 H new ATOM 1047 N ILE A 68 9.312 -15.159 -6.611 1.00 52.53 N ATOM 1048 CA ILE A 68 8.360 -15.867 -7.459 1.00 3.44 C ATOM 1049 C ILE A 68 8.831 -15.895 -8.909 1.00 31.42 C ATOM 1050 O ILE A 68 8.758 -14.891 -9.615 1.00 63.14 O ATOM 1051 CB ILE A 68 6.963 -15.222 -7.397 1.00 1.22 C ATOM 1052 CG1 ILE A 68 6.418 -15.269 -5.968 1.00 23.13 C ATOM 1053 CG2 ILE A 68 6.013 -15.924 -8.355 1.00 52.12 C ATOM 1054 CD1 ILE A 68 5.181 -14.423 -5.764 1.00 70.14 C ATOM 0 H ILE A 68 9.436 -14.175 -6.847 1.00 52.53 H new ATOM 0 HA ILE A 68 8.297 -16.887 -7.080 1.00 3.44 H new ATOM 0 HB ILE A 68 7.047 -14.178 -7.699 1.00 1.22 H new ATOM 0 HG12 ILE A 68 6.188 -16.303 -5.710 1.00 23.13 H new ATOM 0 HG13 ILE A 68 7.195 -14.934 -5.281 1.00 23.13 H new ATOM 0 HG21 ILE A 68 5.030 -15.457 -8.300 1.00 52.12 H new ATOM 0 HG22 ILE A 68 6.397 -15.843 -9.372 1.00 52.12 H new ATOM 0 HG23 ILE A 68 5.931 -16.976 -8.081 1.00 52.12 H new ATOM 0 HD11 ILE A 68 4.851 -14.505 -4.728 1.00 70.14 H new ATOM 0 HD12 ILE A 68 5.411 -13.382 -5.990 1.00 70.14 H new ATOM 0 HD13 ILE A 68 4.388 -14.772 -6.426 1.00 70.14 H new ATOM 1066 N ASN A 69 9.312 -17.055 -9.346 1.00 40.41 N ATOM 1067 CA ASN A 69 9.794 -17.215 -10.713 1.00 74.23 C ATOM 1068 C ASN A 69 8.653 -17.054 -11.714 1.00 44.21 C ATOM 1069 O ASN A 69 7.577 -17.624 -11.541 1.00 14.41 O ATOM 1070 CB ASN A 69 10.449 -18.587 -10.887 1.00 45.53 C ATOM 1071 CG ASN A 69 11.506 -18.860 -9.835 1.00 3.34 C ATOM 1072 OD1 ASN A 69 12.281 -17.974 -9.472 1.00 61.14 O ATOM 1073 ND2 ASN A 69 11.542 -20.091 -9.338 1.00 44.22 N ATOM 0 H ASN A 69 9.378 -17.897 -8.774 1.00 40.41 H new ATOM 0 HA ASN A 69 10.535 -16.439 -10.904 1.00 74.23 H new ATOM 0 HB2 ASN A 69 9.683 -19.361 -10.838 1.00 45.53 H new ATOM 0 HB3 ASN A 69 10.901 -18.648 -11.877 1.00 45.53 H new ATOM 0 HD21 ASN A 69 12.231 -20.334 -8.626 1.00 44.22 H new ATOM 0 HD22 ASN A 69 10.880 -20.794 -9.668 1.00 44.22 H new ATOM 1080 N ALA A 70 8.899 -16.274 -12.762 1.00 11.44 N ATOM 1081 CA ALA A 70 7.894 -16.039 -13.792 1.00 25.14 C ATOM 1082 C ALA A 70 8.091 -16.981 -14.974 1.00 71.25 C ATOM 1083 O ALA A 70 7.936 -16.583 -16.129 1.00 61.52 O ATOM 1084 CB ALA A 70 7.942 -14.591 -14.255 1.00 14.54 C ATOM 0 H ALA A 70 9.785 -15.794 -12.920 1.00 11.44 H new ATOM 0 HA ALA A 70 6.913 -16.238 -13.361 1.00 25.14 H new ATOM 0 HB1 ALA A 70 7.187 -14.430 -15.024 1.00 14.54 H new ATOM 0 HB2 ALA A 70 7.746 -13.932 -13.409 1.00 14.54 H new ATOM 0 HB3 ALA A 70 8.928 -14.372 -14.664 1.00 14.54 H new ATOM 1090 N ARG A 71 8.433 -18.231 -14.679 1.00 41.01 N ATOM 1091 CA ARG A 71 8.653 -19.229 -15.719 1.00 34.00 C ATOM 1092 C ARG A 71 7.460 -19.296 -16.668 1.00 71.43 C ATOM 1093 O ARG A 71 7.624 -19.463 -17.876 1.00 41.41 O ATOM 1094 CB ARG A 71 8.898 -20.603 -15.093 1.00 60.20 C ATOM 1095 CG ARG A 71 10.115 -20.650 -14.184 1.00 3.30 C ATOM 1096 CD ARG A 71 11.407 -20.526 -14.976 1.00 43.53 C ATOM 1097 NE ARG A 71 11.645 -21.692 -15.822 1.00 70.20 N ATOM 1098 CZ ARG A 71 12.664 -21.791 -16.668 1.00 24.21 C ATOM 1099 NH1 ARG A 71 13.536 -20.799 -16.780 1.00 3.44 N ATOM 1100 NH2 ARG A 71 12.814 -22.885 -17.404 1.00 35.22 N ATOM 0 H ARG A 71 8.564 -18.577 -13.728 1.00 41.01 H new ATOM 0 HA ARG A 71 9.534 -18.935 -16.290 1.00 34.00 H new ATOM 0 HB2 ARG A 71 8.017 -20.895 -14.522 1.00 60.20 H new ATOM 0 HB3 ARG A 71 9.020 -21.339 -15.888 1.00 60.20 H new ATOM 0 HG2 ARG A 71 10.056 -19.843 -13.453 1.00 3.30 H new ATOM 0 HG3 ARG A 71 10.118 -21.586 -13.626 1.00 3.30 H new ATOM 0 HD2 ARG A 71 11.367 -19.630 -15.596 1.00 43.53 H new ATOM 0 HD3 ARG A 71 12.243 -20.401 -14.288 1.00 43.53 H new ATOM 0 HE ARG A 71 10.993 -22.474 -15.760 1.00 70.20 H new ATOM 0 HH11 ARG A 71 13.425 -19.957 -16.216 1.00 3.44 H new ATOM 0 HH12 ARG A 71 14.318 -20.878 -17.431 1.00 3.44 H new ATOM 0 HH21 ARG A 71 12.146 -23.651 -17.320 1.00 35.22 H new ATOM 0 HH22 ARG A 71 13.597 -22.959 -18.053 1.00 35.22 H new ATOM 1114 N ASN A 72 6.260 -19.167 -16.112 1.00 54.44 N ATOM 1115 CA ASN A 72 5.039 -19.214 -16.909 1.00 41.23 C ATOM 1116 C ASN A 72 5.017 -18.088 -17.938 1.00 43.53 C ATOM 1117 O ASN A 72 4.537 -18.264 -19.058 1.00 33.21 O ATOM 1118 CB ASN A 72 3.810 -19.116 -16.004 1.00 32.24 C ATOM 1119 CG ASN A 72 3.608 -17.718 -15.452 1.00 74.11 C ATOM 1120 OD1 ASN A 72 4.210 -17.342 -14.447 1.00 24.34 O ATOM 1121 ND2 ASN A 72 2.755 -16.940 -16.110 1.00 25.33 N ATOM 0 H ASN A 72 6.107 -19.029 -15.113 1.00 54.44 H new ATOM 0 HA ASN A 72 5.017 -20.167 -17.438 1.00 41.23 H new ATOM 0 HB2 ASN A 72 2.924 -19.413 -16.565 1.00 32.24 H new ATOM 0 HB3 ASN A 72 3.914 -19.819 -15.177 1.00 32.24 H new ATOM 0 HD21 ASN A 72 2.578 -15.989 -15.786 1.00 25.33 H new ATOM 0 HD22 ASN A 72 2.278 -17.294 -16.939 1.00 25.33 H new ATOM 1128 N PHE A 73 5.542 -16.930 -17.551 1.00 14.50 N ATOM 1129 CA PHE A 73 5.582 -15.774 -18.439 1.00 44.41 C ATOM 1130 C PHE A 73 6.495 -16.037 -19.633 1.00 63.00 C ATOM 1131 O PHE A 73 6.224 -15.588 -20.748 1.00 3.15 O ATOM 1132 CB PHE A 73 6.063 -14.536 -17.678 1.00 70.05 C ATOM 1133 CG PHE A 73 5.077 -14.038 -16.661 1.00 3.25 C ATOM 1134 CD1 PHE A 73 4.922 -14.692 -15.449 1.00 1.20 C ATOM 1135 CD2 PHE A 73 4.306 -12.916 -16.916 1.00 15.45 C ATOM 1136 CE1 PHE A 73 4.016 -14.236 -14.510 1.00 3.32 C ATOM 1137 CE2 PHE A 73 3.398 -12.455 -15.980 1.00 45.32 C ATOM 1138 CZ PHE A 73 3.253 -13.116 -14.776 1.00 73.24 C ATOM 0 H PHE A 73 5.946 -16.767 -16.628 1.00 14.50 H new ATOM 0 HA PHE A 73 4.572 -15.596 -18.808 1.00 44.41 H new ATOM 0 HB2 PHE A 73 7.003 -14.769 -17.178 1.00 70.05 H new ATOM 0 HB3 PHE A 73 6.271 -13.739 -18.392 1.00 70.05 H new ATOM 0 HD1 PHE A 73 5.516 -15.568 -15.236 1.00 1.20 H new ATOM 0 HD2 PHE A 73 4.415 -12.395 -17.856 1.00 15.45 H new ATOM 0 HE1 PHE A 73 3.905 -14.755 -13.569 1.00 3.32 H new ATOM 0 HE2 PHE A 73 2.803 -11.579 -16.190 1.00 45.32 H new ATOM 0 HZ PHE A 73 2.544 -12.758 -14.044 1.00 73.24 H new ATOM 1148 N LEU A 74 7.578 -16.767 -19.392 1.00 25.31 N ATOM 1149 CA LEU A 74 8.533 -17.091 -20.446 1.00 62.23 C ATOM 1150 C LEU A 74 8.055 -18.285 -21.267 1.00 14.25 C ATOM 1151 O LEU A 74 8.306 -18.367 -22.469 1.00 52.14 O ATOM 1152 CB LEU A 74 9.907 -17.390 -19.843 1.00 71.13 C ATOM 1153 CG LEU A 74 11.112 -17.077 -20.731 1.00 1.22 C ATOM 1154 CD1 LEU A 74 11.549 -15.632 -20.547 1.00 4.03 C ATOM 1155 CD2 LEU A 74 12.261 -18.027 -20.425 1.00 52.21 C ATOM 0 H LEU A 74 7.817 -17.146 -18.476 1.00 25.31 H new ATOM 0 HA LEU A 74 8.613 -16.228 -21.107 1.00 62.23 H new ATOM 0 HB2 LEU A 74 10.006 -16.823 -18.917 1.00 71.13 H new ATOM 0 HB3 LEU A 74 9.942 -18.446 -19.576 1.00 71.13 H new ATOM 0 HG LEU A 74 10.819 -17.217 -21.771 1.00 1.22 H new ATOM 0 HD11 LEU A 74 12.408 -15.427 -21.187 1.00 4.03 H new ATOM 0 HD12 LEU A 74 10.729 -14.967 -20.817 1.00 4.03 H new ATOM 0 HD13 LEU A 74 11.824 -15.465 -19.506 1.00 4.03 H new ATOM 0 HD21 LEU A 74 13.110 -17.790 -21.066 1.00 52.21 H new ATOM 0 HD22 LEU A 74 12.554 -17.919 -19.381 1.00 52.21 H new ATOM 0 HD23 LEU A 74 11.943 -19.053 -20.609 1.00 52.21 H new ATOM 1207 N GLY A 78 0.125 -18.430 -18.912 1.00 21.40 N ATOM 1208 CA GLY A 78 -0.912 -18.610 -17.912 1.00 43.05 C ATOM 1209 C GLY A 78 -0.696 -17.740 -16.690 1.00 65.11 C ATOM 1210 O GLY A 78 -0.675 -18.236 -15.563 1.00 43.02 O ATOM 0 HA2 GLY A 78 -1.882 -18.378 -18.353 1.00 43.05 H new ATOM 0 HA3 GLY A 78 -0.942 -19.656 -17.608 1.00 43.05 H new ATOM 1214 N ILE A 79 -0.533 -16.440 -16.912 1.00 63.23 N ATOM 1215 CA ILE A 79 -0.316 -15.500 -15.820 1.00 34.25 C ATOM 1216 C ILE A 79 -1.372 -15.669 -14.732 1.00 51.22 C ATOM 1217 O ILE A 79 -1.059 -15.656 -13.542 1.00 64.14 O ATOM 1218 CB ILE A 79 -0.337 -14.043 -16.318 1.00 31.11 C ATOM 1219 CG1 ILE A 79 0.695 -13.847 -17.431 1.00 35.03 C ATOM 1220 CG2 ILE A 79 -0.070 -13.086 -15.166 1.00 54.52 C ATOM 1221 CD1 ILE A 79 0.723 -12.441 -17.987 1.00 4.41 C ATOM 0 H ILE A 79 -0.547 -16.014 -17.839 1.00 63.23 H new ATOM 0 HA ILE A 79 0.668 -15.719 -15.406 1.00 34.25 H new ATOM 0 HB ILE A 79 -1.326 -13.827 -16.723 1.00 31.11 H new ATOM 0 HG12 ILE A 79 1.684 -14.097 -17.047 1.00 35.03 H new ATOM 0 HG13 ILE A 79 0.482 -14.545 -18.240 1.00 35.03 H new ATOM 0 HG21 ILE A 79 -0.088 -12.060 -15.534 1.00 54.52 H new ATOM 0 HG22 ILE A 79 -0.838 -13.212 -14.403 1.00 54.52 H new ATOM 0 HG23 ILE A 79 0.908 -13.300 -14.735 1.00 54.52 H new ATOM 0 HD11 ILE A 79 1.477 -12.375 -18.771 1.00 4.41 H new ATOM 0 HD12 ILE A 79 -0.254 -12.194 -18.402 1.00 4.41 H new ATOM 0 HD13 ILE A 79 0.967 -11.739 -17.189 1.00 4.41 H new ATOM 1233 N GLU A 80 -2.624 -15.828 -15.150 1.00 70.40 N ATOM 1234 CA GLU A 80 -3.726 -16.001 -14.211 1.00 0.23 C ATOM 1235 C GLU A 80 -3.420 -17.112 -13.211 1.00 24.03 C ATOM 1236 O GLU A 80 -3.749 -17.006 -12.030 1.00 1.31 O ATOM 1237 CB GLU A 80 -5.021 -16.318 -14.962 1.00 24.41 C ATOM 1238 CG GLU A 80 -4.886 -17.465 -15.950 1.00 4.12 C ATOM 1239 CD GLU A 80 -6.111 -17.626 -16.828 1.00 14.12 C ATOM 1240 OE1 GLU A 80 -7.109 -18.207 -16.351 1.00 54.44 O ATOM 1241 OE2 GLU A 80 -6.073 -17.172 -17.990 1.00 70.03 O ATOM 0 H GLU A 80 -2.900 -15.841 -16.132 1.00 70.40 H new ATOM 0 HA GLU A 80 -3.852 -15.067 -13.663 1.00 0.23 H new ATOM 0 HB2 GLU A 80 -5.800 -16.562 -14.239 1.00 24.41 H new ATOM 0 HB3 GLU A 80 -5.349 -15.426 -15.496 1.00 24.41 H new ATOM 0 HG2 GLU A 80 -4.012 -17.296 -16.579 1.00 4.12 H new ATOM 0 HG3 GLU A 80 -4.711 -18.392 -15.403 1.00 4.12 H new ATOM 1248 N GLU A 81 -2.788 -18.177 -13.694 1.00 22.33 N ATOM 1249 CA GLU A 81 -2.438 -19.309 -12.842 1.00 55.55 C ATOM 1250 C GLU A 81 -1.497 -18.876 -11.722 1.00 64.14 C ATOM 1251 O GLU A 81 -1.817 -19.006 -10.540 1.00 53.44 O ATOM 1252 CB GLU A 81 -1.787 -20.417 -13.672 1.00 33.43 C ATOM 1253 CG GLU A 81 -1.999 -21.809 -13.100 1.00 22.11 C ATOM 1254 CD GLU A 81 -1.837 -22.899 -14.142 1.00 4.22 C ATOM 1255 OE1 GLU A 81 -2.373 -24.007 -13.929 1.00 44.41 O ATOM 1256 OE2 GLU A 81 -1.174 -22.644 -15.169 1.00 61.41 O ATOM 0 H GLU A 81 -2.508 -18.280 -14.669 1.00 22.33 H new ATOM 0 HA GLU A 81 -3.355 -19.692 -12.394 1.00 55.55 H new ATOM 0 HB2 GLU A 81 -2.188 -20.384 -14.685 1.00 33.43 H new ATOM 0 HB3 GLU A 81 -0.717 -20.223 -13.747 1.00 33.43 H new ATOM 0 HG2 GLU A 81 -1.289 -21.977 -12.290 1.00 22.11 H new ATOM 0 HG3 GLU A 81 -2.997 -21.871 -12.666 1.00 22.11 H new ATOM 1263 N THR A 82 -0.331 -18.362 -12.103 1.00 11.24 N ATOM 1264 CA THR A 82 0.659 -17.912 -11.132 1.00 52.12 C ATOM 1265 C THR A 82 0.090 -16.821 -10.232 1.00 70.01 C ATOM 1266 O THR A 82 0.335 -16.807 -9.026 1.00 12.54 O ATOM 1267 CB THR A 82 1.926 -17.379 -11.828 1.00 14.12 C ATOM 1268 OG1 THR A 82 2.058 -17.971 -13.125 1.00 10.30 O ATOM 1269 CG2 THR A 82 3.165 -17.679 -10.999 1.00 22.42 C ATOM 0 H THR A 82 -0.050 -18.247 -13.077 1.00 11.24 H new ATOM 0 HA THR A 82 0.924 -18.778 -10.525 1.00 52.12 H new ATOM 0 HB THR A 82 1.830 -16.298 -11.931 1.00 14.12 H new ATOM 0 HG1 THR A 82 3.006 -18.017 -13.369 1.00 10.30 H new ATOM 0 HG21 THR A 82 4.047 -17.293 -11.510 1.00 22.42 H new ATOM 0 HG22 THR A 82 3.074 -17.202 -10.023 1.00 22.42 H new ATOM 0 HG23 THR A 82 3.263 -18.757 -10.869 1.00 22.42 H new ATOM 1277 N LYS A 83 -0.671 -15.908 -10.826 1.00 35.14 N ATOM 1278 CA LYS A 83 -1.278 -14.813 -10.078 1.00 21.35 C ATOM 1279 C LYS A 83 -2.013 -15.336 -8.848 1.00 34.31 C ATOM 1280 O LYS A 83 -2.030 -14.688 -7.802 1.00 22.22 O ATOM 1281 CB LYS A 83 -2.245 -14.033 -10.970 1.00 55.21 C ATOM 1282 CG LYS A 83 -2.148 -12.526 -10.802 1.00 23.43 C ATOM 1283 CD LYS A 83 -2.069 -11.819 -12.144 1.00 74.23 C ATOM 1284 CE LYS A 83 -3.451 -11.449 -12.660 1.00 53.55 C ATOM 1285 NZ LYS A 83 -4.170 -12.628 -13.218 1.00 10.24 N ATOM 0 H LYS A 83 -0.882 -15.905 -11.824 1.00 35.14 H new ATOM 0 HA LYS A 83 -0.481 -14.147 -9.747 1.00 21.35 H new ATOM 0 HB2 LYS A 83 -2.050 -14.287 -12.012 1.00 55.21 H new ATOM 0 HB3 LYS A 83 -3.265 -14.350 -10.750 1.00 55.21 H new ATOM 0 HG2 LYS A 83 -3.015 -12.164 -10.250 1.00 23.43 H new ATOM 0 HG3 LYS A 83 -1.267 -12.281 -10.208 1.00 23.43 H new ATOM 0 HD2 LYS A 83 -1.462 -10.919 -12.047 1.00 74.23 H new ATOM 0 HD3 LYS A 83 -1.570 -12.464 -12.867 1.00 74.23 H new ATOM 0 HE2 LYS A 83 -4.037 -11.017 -11.849 1.00 53.55 H new ATOM 0 HE3 LYS A 83 -3.358 -10.683 -13.430 1.00 53.55 H new ATOM 0 HZ1 LYS A 83 -5.071 -12.319 -13.635 1.00 10.24 H new ATOM 0 HZ2 LYS A 83 -3.585 -13.076 -13.951 1.00 10.24 H new ATOM 0 HZ3 LYS A 83 -4.357 -13.312 -12.458 1.00 10.24 H new ATOM 1299 N GLN A 84 -2.619 -16.512 -8.982 1.00 1.15 N ATOM 1300 CA GLN A 84 -3.355 -17.121 -7.880 1.00 70.11 C ATOM 1301 C GLN A 84 -2.471 -17.260 -6.645 1.00 41.52 C ATOM 1302 O GLN A 84 -2.941 -17.123 -5.516 1.00 50.21 O ATOM 1303 CB GLN A 84 -3.892 -18.492 -8.294 1.00 65.42 C ATOM 1304 CG GLN A 84 -4.903 -18.433 -9.427 1.00 71.14 C ATOM 1305 CD GLN A 84 -5.945 -19.530 -9.337 1.00 72.45 C ATOM 1306 OE1 GLN A 84 -7.000 -19.352 -8.729 1.00 14.25 O ATOM 1307 NE2 GLN A 84 -5.654 -20.675 -9.945 1.00 54.43 N ATOM 0 H GLN A 84 -2.615 -17.061 -9.842 1.00 1.15 H new ATOM 0 HA GLN A 84 -4.193 -16.470 -7.633 1.00 70.11 H new ATOM 0 HB2 GLN A 84 -3.057 -19.124 -8.596 1.00 65.42 H new ATOM 0 HB3 GLN A 84 -4.355 -18.968 -7.429 1.00 65.42 H new ATOM 0 HG2 GLN A 84 -5.400 -17.463 -9.415 1.00 71.14 H new ATOM 0 HG3 GLN A 84 -4.380 -18.511 -10.380 1.00 71.14 H new ATOM 0 HE21 GLN A 84 -4.767 -20.780 -10.438 1.00 54.43 H new ATOM 0 HE22 GLN A 84 -6.317 -21.449 -9.919 1.00 54.43 H new ATOM 1316 N GLN A 85 -1.189 -17.532 -6.868 1.00 53.25 N ATOM 1317 CA GLN A 85 -0.240 -17.690 -5.773 1.00 13.22 C ATOM 1318 C GLN A 85 0.301 -16.337 -5.322 1.00 32.00 C ATOM 1319 O GLN A 85 0.267 -16.009 -4.136 1.00 3.43 O ATOM 1320 CB GLN A 85 0.915 -18.598 -6.197 1.00 74.55 C ATOM 1321 CG GLN A 85 0.464 -19.857 -6.922 1.00 41.41 C ATOM 1322 CD GLN A 85 -0.654 -20.579 -6.197 1.00 30.12 C ATOM 1323 OE1 GLN A 85 -0.541 -20.891 -5.011 1.00 2.51 O ATOM 1324 NE2 GLN A 85 -1.743 -20.850 -6.907 1.00 42.21 N ATOM 0 H GLN A 85 -0.784 -17.647 -7.797 1.00 53.25 H new ATOM 0 HA GLN A 85 -0.765 -18.149 -4.935 1.00 13.22 H new ATOM 0 HB2 GLN A 85 1.588 -18.037 -6.845 1.00 74.55 H new ATOM 0 HB3 GLN A 85 1.486 -18.882 -5.313 1.00 74.55 H new ATOM 0 HG2 GLN A 85 0.130 -19.594 -7.926 1.00 41.41 H new ATOM 0 HG3 GLN A 85 1.313 -20.531 -7.035 1.00 41.41 H new ATOM 0 HE21 GLN A 85 -1.795 -20.573 -7.887 1.00 42.21 H new ATOM 0 HE22 GLN A 85 -2.528 -21.335 -6.472 1.00 42.21 H new ATOM 1333 N ILE A 86 0.799 -15.557 -6.275 1.00 71.14 N ATOM 1334 CA ILE A 86 1.346 -14.240 -5.976 1.00 3.23 C ATOM 1335 C ILE A 86 0.340 -13.387 -5.210 1.00 70.51 C ATOM 1336 O ILE A 86 0.646 -12.854 -4.143 1.00 43.42 O ATOM 1337 CB ILE A 86 1.760 -13.497 -7.260 1.00 11.33 C ATOM 1338 CG1 ILE A 86 2.863 -14.267 -7.988 1.00 74.44 C ATOM 1339 CG2 ILE A 86 2.222 -12.085 -6.929 1.00 62.42 C ATOM 1340 CD1 ILE A 86 2.453 -14.756 -9.360 1.00 42.33 C ATOM 0 H ILE A 86 0.835 -15.815 -7.261 1.00 71.14 H new ATOM 0 HA ILE A 86 2.229 -14.399 -5.357 1.00 3.23 H new ATOM 0 HB ILE A 86 0.894 -13.430 -7.919 1.00 11.33 H new ATOM 0 HG12 ILE A 86 3.739 -13.626 -8.086 1.00 74.44 H new ATOM 0 HG13 ILE A 86 3.160 -15.122 -7.380 1.00 74.44 H new ATOM 0 HG21 ILE A 86 2.511 -11.572 -7.846 1.00 62.42 H new ATOM 0 HG22 ILE A 86 1.409 -11.539 -6.449 1.00 62.42 H new ATOM 0 HG23 ILE A 86 3.077 -12.131 -6.254 1.00 62.42 H new ATOM 0 HD11 ILE A 86 3.284 -15.293 -9.818 1.00 42.33 H new ATOM 0 HD12 ILE A 86 1.596 -15.423 -9.267 1.00 42.33 H new ATOM 0 HD13 ILE A 86 2.184 -13.904 -9.984 1.00 42.33 H new ATOM 1352 N LEU A 87 -0.863 -13.265 -5.760 1.00 61.14 N ATOM 1353 CA LEU A 87 -1.917 -12.479 -5.129 1.00 1.14 C ATOM 1354 C LEU A 87 -2.095 -12.881 -3.668 1.00 74.42 C ATOM 1355 O LEU A 87 -2.401 -12.047 -2.815 1.00 62.22 O ATOM 1356 CB LEU A 87 -3.235 -12.657 -5.883 1.00 74.14 C ATOM 1357 CG LEU A 87 -4.289 -11.572 -5.660 1.00 2.51 C ATOM 1358 CD1 LEU A 87 -3.808 -10.239 -6.213 1.00 23.02 C ATOM 1359 CD2 LEU A 87 -5.610 -11.971 -6.300 1.00 53.11 C ATOM 0 H LEU A 87 -1.133 -13.701 -6.642 1.00 61.14 H new ATOM 0 HA LEU A 87 -1.625 -11.430 -5.165 1.00 1.14 H new ATOM 0 HB2 LEU A 87 -3.016 -12.709 -6.950 1.00 74.14 H new ATOM 0 HB3 LEU A 87 -3.666 -13.617 -5.599 1.00 74.14 H new ATOM 0 HG LEU A 87 -4.447 -11.462 -4.587 1.00 2.51 H new ATOM 0 HD11 LEU A 87 -4.571 -9.479 -6.045 1.00 23.02 H new ATOM 0 HD12 LEU A 87 -2.887 -9.947 -5.708 1.00 23.02 H new ATOM 0 HD13 LEU A 87 -3.620 -10.335 -7.282 1.00 23.02 H new ATOM 0 HD21 LEU A 87 -6.348 -11.187 -6.131 1.00 53.11 H new ATOM 0 HD22 LEU A 87 -5.468 -12.110 -7.372 1.00 53.11 H new ATOM 0 HD23 LEU A 87 -5.962 -12.902 -5.857 1.00 53.11 H new ATOM 1371 N THR A 88 -1.901 -14.166 -3.386 1.00 2.15 N ATOM 1372 CA THR A 88 -2.039 -14.679 -2.029 1.00 30.34 C ATOM 1373 C THR A 88 -1.186 -13.881 -1.049 1.00 63.52 C ATOM 1374 O THR A 88 -1.529 -13.754 0.125 1.00 30.25 O ATOM 1375 CB THR A 88 -1.641 -16.165 -1.947 1.00 24.02 C ATOM 1376 OG1 THR A 88 -2.221 -16.888 -3.038 1.00 25.50 O ATOM 1377 CG2 THR A 88 -2.094 -16.775 -0.629 1.00 71.11 C ATOM 0 H THR A 88 -1.648 -14.870 -4.079 1.00 2.15 H new ATOM 0 HA THR A 88 -3.090 -14.576 -1.758 1.00 30.34 H new ATOM 0 HB THR A 88 -0.555 -16.231 -2.005 1.00 24.02 H new ATOM 0 HG1 THR A 88 -1.962 -17.831 -2.980 1.00 25.50 H new ATOM 0 HG21 THR A 88 -1.802 -17.825 -0.594 1.00 71.11 H new ATOM 0 HG22 THR A 88 -1.627 -16.241 0.199 1.00 71.11 H new ATOM 0 HG23 THR A 88 -3.178 -16.697 -0.546 1.00 71.11 H new ATOM 1385 N GLU A 89 -0.073 -13.346 -1.541 1.00 40.31 N ATOM 1386 CA GLU A 89 0.829 -12.560 -0.707 1.00 40.13 C ATOM 1387 C GLU A 89 1.206 -11.252 -1.396 1.00 52.44 C ATOM 1388 O GLU A 89 2.307 -10.733 -1.209 1.00 1.50 O ATOM 1389 CB GLU A 89 2.092 -13.362 -0.387 1.00 32.33 C ATOM 1390 CG GLU A 89 2.834 -13.849 -1.620 1.00 54.44 C ATOM 1391 CD GLU A 89 4.045 -14.694 -1.277 1.00 50.34 C ATOM 1392 OE1 GLU A 89 4.317 -14.878 -0.072 1.00 41.04 O ATOM 1393 OE2 GLU A 89 4.721 -15.170 -2.213 1.00 32.41 O ATOM 0 H GLU A 89 0.225 -13.442 -2.512 1.00 40.31 H new ATOM 0 HA GLU A 89 0.311 -12.325 0.223 1.00 40.13 H new ATOM 0 HB2 GLU A 89 2.763 -12.744 0.210 1.00 32.33 H new ATOM 0 HB3 GLU A 89 1.821 -14.221 0.226 1.00 32.33 H new ATOM 0 HG2 GLU A 89 2.154 -14.431 -2.242 1.00 54.44 H new ATOM 0 HG3 GLU A 89 3.151 -12.990 -2.211 1.00 54.44 H new ATOM 1400 N LEU A 90 0.285 -10.724 -2.195 1.00 14.22 N ATOM 1401 CA LEU A 90 0.519 -9.476 -2.913 1.00 72.04 C ATOM 1402 C LEU A 90 -0.495 -8.413 -2.503 1.00 1.31 C ATOM 1403 O LEU A 90 -0.172 -7.227 -2.438 1.00 10.01 O ATOM 1404 CB LEU A 90 0.444 -9.712 -4.423 1.00 24.11 C ATOM 1405 CG LEU A 90 1.062 -8.625 -5.303 1.00 62.34 C ATOM 1406 CD1 LEU A 90 2.555 -8.860 -5.473 1.00 61.41 C ATOM 1407 CD2 LEU A 90 0.370 -8.579 -6.658 1.00 64.20 C ATOM 0 H LEU A 90 -0.631 -11.141 -2.362 1.00 14.22 H new ATOM 0 HA LEU A 90 1.516 -9.119 -2.655 1.00 72.04 H new ATOM 0 HB2 LEU A 90 0.937 -10.658 -4.648 1.00 24.11 H new ATOM 0 HB3 LEU A 90 -0.604 -9.825 -4.701 1.00 24.11 H new ATOM 0 HG LEU A 90 0.920 -7.662 -4.812 1.00 62.34 H new ATOM 0 HD11 LEU A 90 2.977 -8.077 -6.102 1.00 61.41 H new ATOM 0 HD12 LEU A 90 3.040 -8.842 -4.497 1.00 61.41 H new ATOM 0 HD13 LEU A 90 2.720 -9.830 -5.942 1.00 61.41 H new ATOM 0 HD21 LEU A 90 0.822 -7.800 -7.271 1.00 64.20 H new ATOM 0 HD22 LEU A 90 0.480 -9.542 -7.156 1.00 64.20 H new ATOM 0 HD23 LEU A 90 -0.689 -8.362 -6.519 1.00 64.20 H new ATOM 1419 N GLN A 91 -1.720 -8.846 -2.225 1.00 71.52 N ATOM 1420 CA GLN A 91 -2.780 -7.931 -1.819 1.00 72.34 C ATOM 1421 C GLN A 91 -3.302 -8.284 -0.430 1.00 62.23 C ATOM 1422 O GLN A 91 -3.769 -7.417 0.308 1.00 11.11 O ATOM 1423 CB GLN A 91 -3.927 -7.965 -2.831 1.00 42.43 C ATOM 1424 CG GLN A 91 -4.475 -9.360 -3.084 1.00 0.20 C ATOM 1425 CD GLN A 91 -5.437 -9.813 -2.004 1.00 32.22 C ATOM 1426 OE1 GLN A 91 -6.040 -8.994 -1.310 1.00 34.20 O ATOM 1427 NE2 GLN A 91 -5.586 -11.124 -1.856 1.00 31.43 N ATOM 0 H GLN A 91 -2.003 -9.825 -2.273 1.00 71.52 H new ATOM 0 HA GLN A 91 -2.363 -6.924 -1.786 1.00 72.34 H new ATOM 0 HB2 GLN A 91 -4.735 -7.326 -2.474 1.00 42.43 H new ATOM 0 HB3 GLN A 91 -3.580 -7.543 -3.775 1.00 42.43 H new ATOM 0 HG2 GLN A 91 -4.983 -9.377 -4.048 1.00 0.20 H new ATOM 0 HG3 GLN A 91 -3.647 -10.066 -3.147 1.00 0.20 H new ATOM 0 HE21 GLN A 91 -5.066 -11.767 -2.453 1.00 31.43 H new ATOM 0 HE22 GLN A 91 -6.220 -11.488 -1.145 1.00 31.43 H new ATOM 1436 N LYS A 92 -3.219 -9.563 -0.080 1.00 75.32 N ATOM 1437 CA LYS A 92 -3.682 -10.032 1.221 1.00 70.35 C ATOM 1438 C LYS A 92 -3.007 -9.259 2.349 1.00 32.41 C ATOM 1439 O LYS A 92 -1.811 -9.417 2.594 1.00 62.12 O ATOM 1440 CB LYS A 92 -3.403 -11.529 1.375 1.00 65.01 C ATOM 1441 CG LYS A 92 -4.402 -12.246 2.267 1.00 42.45 C ATOM 1442 CD LYS A 92 -5.629 -12.687 1.487 1.00 41.24 C ATOM 1443 CE LYS A 92 -5.348 -13.936 0.666 1.00 71.05 C ATOM 1444 NZ LYS A 92 -6.592 -14.704 0.381 1.00 2.00 N ATOM 0 H LYS A 92 -2.835 -10.294 -0.679 1.00 75.32 H new ATOM 0 HA LYS A 92 -4.757 -9.861 1.280 1.00 70.35 H new ATOM 0 HB2 LYS A 92 -3.409 -11.994 0.389 1.00 65.01 H new ATOM 0 HB3 LYS A 92 -2.402 -11.663 1.784 1.00 65.01 H new ATOM 0 HG2 LYS A 92 -3.927 -13.115 2.722 1.00 42.45 H new ATOM 0 HG3 LYS A 92 -4.704 -11.586 3.080 1.00 42.45 H new ATOM 0 HD2 LYS A 92 -6.450 -12.881 2.177 1.00 41.24 H new ATOM 0 HD3 LYS A 92 -5.951 -11.881 0.827 1.00 41.24 H new ATOM 0 HE2 LYS A 92 -4.872 -13.654 -0.273 1.00 71.05 H new ATOM 0 HE3 LYS A 92 -4.643 -14.572 1.202 1.00 71.05 H new ATOM 0 HZ1 LYS A 92 -6.358 -15.548 -0.180 1.00 2.00 H new ATOM 0 HZ2 LYS A 92 -7.033 -14.995 1.277 1.00 2.00 H new ATOM 0 HZ3 LYS A 92 -7.255 -14.106 -0.153 1.00 2.00 H new