USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -31:sc= 0.747 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00668 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.918 X(o=-0.92,f=-0.61) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 0.248 (180deg=0.0737) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.745 K(o=0.75,f=-2.8!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.016 USER MOD Single : A 39 GLN : amide:sc= -1.92 K(o=-1.9,f=-4!) USER MOD Single : A 44 MET CE :methyl 139:sc= -5.43! (180deg=-7.99!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0394 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.37! C(o=-2.4!,f=-2.8!) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -2.93 (180deg=-4.6!) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= -0.495 (180deg=-0.692) USER MOD Single : A 63 LYS NZ :NH3+ -136:sc= -0.238 (180deg=-1.38!) USER MOD ----------------------------------------------------------------- ATOM 39 N LYS A 3 -0.070 -5.754 -1.155 1.00 23.22 N ATOM 40 CA LYS A 3 -1.019 -6.638 -0.489 1.00 22.41 C ATOM 41 C LYS A 3 -0.293 -7.657 0.385 1.00 52.33 C ATOM 42 O LYS A 3 0.433 -8.514 -0.119 1.00 21.33 O ATOM 43 CB LYS A 3 -1.885 -7.362 -1.523 1.00 24.34 C ATOM 44 CG LYS A 3 -3.219 -7.836 -0.973 1.00 60.45 C ATOM 45 CD LYS A 3 -4.017 -8.592 -2.023 1.00 20.13 C ATOM 46 CE LYS A 3 -5.513 -8.488 -1.767 1.00 63.30 C ATOM 47 NZ LYS A 3 -6.298 -9.317 -2.724 1.00 2.33 N ATOM 0 HA LYS A 3 -1.659 -6.029 0.149 1.00 22.41 H new ATOM 0 HB2 LYS A 3 -2.065 -6.694 -2.365 1.00 24.34 H new ATOM 0 HB3 LYS A 3 -1.335 -8.220 -1.909 1.00 24.34 H new ATOM 0 HG2 LYS A 3 -3.050 -8.480 -0.110 1.00 60.45 H new ATOM 0 HG3 LYS A 3 -3.795 -6.979 -0.624 1.00 60.45 H new ATOM 0 HD2 LYS A 3 -3.787 -8.195 -3.012 1.00 20.13 H new ATOM 0 HD3 LYS A 3 -3.719 -9.640 -2.023 1.00 20.13 H new ATOM 0 HE2 LYS A 3 -5.730 -8.807 -0.747 1.00 63.30 H new ATOM 0 HE3 LYS A 3 -5.824 -7.446 -1.849 1.00 63.30 H new ATOM 0 HZ1 LYS A 3 -7.312 -9.219 -2.517 1.00 2.33 H new ATOM 0 HZ2 LYS A 3 -6.111 -8.997 -3.696 1.00 2.33 H new ATOM 0 HZ3 LYS A 3 -6.020 -10.315 -2.629 1.00 2.33 H new ATOM 61 N ILE A 4 -0.496 -7.557 1.694 1.00 24.01 N ATOM 62 CA ILE A 4 0.138 -8.471 2.636 1.00 33.32 C ATOM 63 C ILE A 4 -0.325 -9.906 2.405 1.00 5.01 C ATOM 64 O ILE A 4 -1.402 -10.301 2.850 1.00 75.21 O ATOM 65 CB ILE A 4 -0.163 -8.075 4.094 1.00 74.42 C ATOM 66 CG1 ILE A 4 0.212 -6.612 4.335 1.00 13.25 C ATOM 67 CG2 ILE A 4 0.586 -8.986 5.055 1.00 11.44 C ATOM 68 CD1 ILE A 4 1.679 -6.319 4.113 1.00 60.31 C ATOM 0 H ILE A 4 -1.094 -6.853 2.126 1.00 24.01 H new ATOM 0 HA ILE A 4 1.213 -8.406 2.465 1.00 33.32 H new ATOM 0 HB ILE A 4 -1.232 -8.190 4.274 1.00 74.42 H new ATOM 0 HG12 ILE A 4 -0.380 -5.980 3.673 1.00 13.25 H new ATOM 0 HG13 ILE A 4 -0.054 -6.341 5.357 1.00 13.25 H new ATOM 0 HG21 ILE A 4 0.363 -8.694 6.081 1.00 11.44 H new ATOM 0 HG22 ILE A 4 0.274 -10.018 4.896 1.00 11.44 H new ATOM 0 HG23 ILE A 4 1.658 -8.899 4.878 1.00 11.44 H new ATOM 0 HD11 ILE A 4 1.872 -5.263 4.302 1.00 60.31 H new ATOM 0 HD12 ILE A 4 2.278 -6.925 4.793 1.00 60.31 H new ATOM 0 HD13 ILE A 4 1.946 -6.558 3.084 1.00 60.31 H new ATOM 80 N TYR A 5 0.498 -10.682 1.708 1.00 4.33 N ATOM 81 CA TYR A 5 0.174 -12.073 1.417 1.00 21.14 C ATOM 82 C TYR A 5 0.668 -12.992 2.531 1.00 15.20 C ATOM 83 O TYR A 5 1.540 -12.636 3.324 1.00 74.01 O ATOM 84 CB TYR A 5 0.791 -12.494 0.083 1.00 63.23 C ATOM 85 CG TYR A 5 -0.095 -12.214 -1.110 1.00 10.53 C ATOM 86 CD1 TYR A 5 -1.412 -12.655 -1.140 1.00 71.21 C ATOM 87 CD2 TYR A 5 0.385 -11.508 -2.206 1.00 54.31 C ATOM 88 CE1 TYR A 5 -2.226 -12.402 -2.228 1.00 4.24 C ATOM 89 CE2 TYR A 5 -0.422 -11.248 -3.297 1.00 71.41 C ATOM 90 CZ TYR A 5 -1.726 -11.698 -3.303 1.00 52.43 C ATOM 91 OH TYR A 5 -2.532 -11.443 -4.389 1.00 14.41 O ATOM 0 H TYR A 5 1.395 -10.371 1.334 1.00 4.33 H new ATOM 0 HA TYR A 5 -0.911 -12.161 1.352 1.00 21.14 H new ATOM 0 HB2 TYR A 5 1.739 -11.973 -0.049 1.00 63.23 H new ATOM 0 HB3 TYR A 5 1.015 -13.560 0.116 1.00 63.23 H new ATOM 0 HD1 TYR A 5 -1.807 -13.205 -0.299 1.00 71.21 H new ATOM 0 HD2 TYR A 5 1.406 -11.156 -2.205 1.00 54.31 H new ATOM 0 HE1 TYR A 5 -3.247 -12.753 -2.236 1.00 4.24 H new ATOM 0 HE2 TYR A 5 -0.034 -10.696 -4.140 1.00 71.41 H new ATOM 0 HH TYR A 5 -2.028 -10.936 -5.059 1.00 14.41 H new ATOM 101 N PRO A 6 0.097 -14.204 2.593 1.00 71.12 N ATOM 102 CA PRO A 6 0.463 -15.201 3.604 1.00 52.34 C ATOM 103 C PRO A 6 1.863 -15.763 3.383 1.00 11.02 C ATOM 104 O PRO A 6 2.228 -16.125 2.264 1.00 32.45 O ATOM 105 CB PRO A 6 -0.589 -16.297 3.418 1.00 72.11 C ATOM 106 CG PRO A 6 -1.031 -16.162 2.001 1.00 22.25 C ATOM 107 CD PRO A 6 -0.949 -14.696 1.680 1.00 11.51 C ATOM 0 HA PRO A 6 0.483 -14.776 4.608 1.00 52.34 H new ATOM 0 HB2 PRO A 6 -0.170 -17.285 3.609 1.00 72.11 H new ATOM 0 HB3 PRO A 6 -1.423 -16.166 4.107 1.00 72.11 H new ATOM 0 HG2 PRO A 6 -0.392 -16.743 1.336 1.00 22.25 H new ATOM 0 HG3 PRO A 6 -2.048 -16.533 1.872 1.00 22.25 H new ATOM 0 HD2 PRO A 6 -0.683 -14.528 0.636 1.00 11.51 H new ATOM 0 HD3 PRO A 6 -1.901 -14.193 1.852 1.00 11.51 H new ATOM 115 N TYR A 7 2.643 -15.833 4.456 1.00 33.42 N ATOM 116 CA TYR A 7 4.004 -16.350 4.379 1.00 31.12 C ATOM 117 C TYR A 7 4.002 -17.851 4.106 1.00 63.11 C ATOM 118 O TYR A 7 4.902 -18.375 3.449 1.00 42.21 O ATOM 119 CB TYR A 7 4.757 -16.058 5.678 1.00 1.30 C ATOM 120 CG TYR A 7 6.100 -16.747 5.768 1.00 73.12 C ATOM 121 CD1 TYR A 7 7.215 -16.227 5.122 1.00 14.13 C ATOM 122 CD2 TYR A 7 6.253 -17.919 6.499 1.00 5.42 C ATOM 123 CE1 TYR A 7 8.443 -16.854 5.201 1.00 31.11 C ATOM 124 CE2 TYR A 7 7.478 -18.552 6.585 1.00 44.33 C ATOM 125 CZ TYR A 7 8.570 -18.016 5.934 1.00 51.14 C ATOM 126 OH TYR A 7 9.792 -18.643 6.016 1.00 41.23 O ATOM 0 H TYR A 7 2.356 -15.538 5.389 1.00 33.42 H new ATOM 0 HA TYR A 7 4.509 -15.849 3.553 1.00 31.12 H new ATOM 0 HB2 TYR A 7 4.904 -14.982 5.769 1.00 1.30 H new ATOM 0 HB3 TYR A 7 4.142 -16.368 6.522 1.00 1.30 H new ATOM 0 HD1 TYR A 7 7.120 -15.317 4.548 1.00 14.13 H new ATOM 0 HD2 TYR A 7 5.400 -18.342 7.008 1.00 5.42 H new ATOM 0 HE1 TYR A 7 9.299 -16.437 4.692 1.00 31.11 H new ATOM 0 HE2 TYR A 7 7.580 -19.461 7.159 1.00 44.33 H new ATOM 0 HH TYR A 7 10.296 -18.487 5.190 1.00 41.23 H new ATOM 136 N ASP A 8 2.985 -18.537 4.615 1.00 72.05 N ATOM 137 CA ASP A 8 2.863 -19.978 4.425 1.00 41.21 C ATOM 138 C ASP A 8 2.626 -20.315 2.956 1.00 43.50 C ATOM 139 O ASP A 8 3.050 -21.364 2.473 1.00 24.54 O ATOM 140 CB ASP A 8 1.721 -20.531 5.278 1.00 30.44 C ATOM 141 CG ASP A 8 0.463 -19.691 5.178 1.00 61.35 C ATOM 142 OD1 ASP A 8 0.373 -18.671 5.891 1.00 11.24 O ATOM 143 OD2 ASP A 8 -0.432 -20.055 4.385 1.00 3.34 O ATOM 0 H ASP A 8 2.233 -18.119 5.162 1.00 72.05 H new ATOM 0 HA ASP A 8 3.798 -20.441 4.739 1.00 41.21 H new ATOM 0 HB2 ASP A 8 1.499 -21.551 4.965 1.00 30.44 H new ATOM 0 HB3 ASP A 8 2.040 -20.580 6.319 1.00 30.44 H new ATOM 148 N SER A 9 1.945 -19.417 2.251 1.00 43.13 N ATOM 149 CA SER A 9 1.648 -19.621 0.838 1.00 74.01 C ATOM 150 C SER A 9 2.684 -18.928 -0.041 1.00 61.04 C ATOM 151 O SER A 9 2.882 -19.300 -1.199 1.00 53.50 O ATOM 152 CB SER A 9 0.249 -19.095 0.508 1.00 22.14 C ATOM 153 OG SER A 9 -0.423 -19.961 -0.390 1.00 3.21 O ATOM 0 H SER A 9 1.589 -18.542 2.635 1.00 43.13 H new ATOM 0 HA SER A 9 1.683 -20.692 0.636 1.00 74.01 H new ATOM 0 HB2 SER A 9 -0.331 -18.996 1.425 1.00 22.14 H new ATOM 0 HB3 SER A 9 0.325 -18.100 0.070 1.00 22.14 H new ATOM 0 HG SER A 9 -1.315 -19.604 -0.583 1.00 3.21 H new ATOM 159 N LEU A 10 3.344 -17.919 0.516 1.00 14.33 N ATOM 160 CA LEU A 10 4.361 -17.172 -0.216 1.00 11.04 C ATOM 161 C LEU A 10 5.661 -17.965 -0.302 1.00 43.41 C ATOM 162 O LEU A 10 6.355 -17.928 -1.319 1.00 23.03 O ATOM 163 CB LEU A 10 4.616 -15.823 0.460 1.00 63.44 C ATOM 164 CG LEU A 10 3.811 -14.640 -0.078 1.00 72.24 C ATOM 165 CD1 LEU A 10 4.113 -13.382 0.720 1.00 11.40 C ATOM 166 CD2 LEU A 10 4.106 -14.421 -1.555 1.00 23.10 C ATOM 0 H LEU A 10 3.193 -17.599 1.473 1.00 14.33 H new ATOM 0 HA LEU A 10 3.994 -17.000 -1.228 1.00 11.04 H new ATOM 0 HB2 LEU A 10 4.404 -15.927 1.524 1.00 63.44 H new ATOM 0 HB3 LEU A 10 5.676 -15.587 0.367 1.00 63.44 H new ATOM 0 HG LEU A 10 2.751 -14.868 0.030 1.00 72.24 H new ATOM 0 HD11 LEU A 10 3.531 -12.551 0.323 1.00 11.40 H new ATOM 0 HD12 LEU A 10 3.850 -13.542 1.765 1.00 11.40 H new ATOM 0 HD13 LEU A 10 5.175 -13.150 0.645 1.00 11.40 H new ATOM 0 HD21 LEU A 10 3.524 -13.575 -1.921 1.00 23.10 H new ATOM 0 HD22 LEU A 10 5.168 -14.215 -1.687 1.00 23.10 H new ATOM 0 HD23 LEU A 10 3.837 -15.316 -2.116 1.00 23.10 H new ATOM 178 N ILE A 11 5.984 -18.681 0.769 1.00 33.32 N ATOM 179 CA ILE A 11 7.199 -19.485 0.813 1.00 73.34 C ATOM 180 C ILE A 11 7.305 -20.387 -0.413 1.00 21.15 C ATOM 181 O ILE A 11 6.400 -21.170 -0.701 1.00 52.33 O ATOM 182 CB ILE A 11 7.253 -20.355 2.082 1.00 3.15 C ATOM 183 CG1 ILE A 11 5.932 -21.103 2.272 1.00 63.44 C ATOM 184 CG2 ILE A 11 7.561 -19.496 3.300 1.00 54.21 C ATOM 185 CD1 ILE A 11 5.912 -21.994 3.494 1.00 62.20 C ATOM 0 H ILE A 11 5.421 -18.721 1.619 1.00 33.32 H new ATOM 0 HA ILE A 11 8.038 -18.789 0.824 1.00 73.34 H new ATOM 0 HB ILE A 11 8.051 -21.089 1.967 1.00 3.15 H new ATOM 0 HG12 ILE A 11 5.121 -20.378 2.347 1.00 63.44 H new ATOM 0 HG13 ILE A 11 5.737 -21.709 1.387 1.00 63.44 H new ATOM 0 HG21 ILE A 11 7.596 -20.125 4.189 1.00 54.21 H new ATOM 0 HG22 ILE A 11 8.525 -19.005 3.165 1.00 54.21 H new ATOM 0 HG23 ILE A 11 6.783 -18.742 3.419 1.00 54.21 H new ATOM 0 HD11 ILE A 11 4.945 -22.492 3.565 1.00 62.20 H new ATOM 0 HD12 ILE A 11 6.701 -22.742 3.412 1.00 62.20 H new ATOM 0 HD13 ILE A 11 6.076 -21.391 4.387 1.00 62.20 H new ATOM 197 N VAL A 12 8.419 -20.273 -1.130 1.00 33.25 N ATOM 198 CA VAL A 12 8.646 -21.080 -2.322 1.00 72.24 C ATOM 199 C VAL A 12 8.641 -22.568 -1.989 1.00 11.34 C ATOM 200 O VAL A 12 8.387 -23.409 -2.852 1.00 12.24 O ATOM 201 CB VAL A 12 9.983 -20.721 -2.997 1.00 1.12 C ATOM 202 CG1 VAL A 12 10.061 -19.226 -3.265 1.00 5.32 C ATOM 203 CG2 VAL A 12 11.152 -21.179 -2.138 1.00 63.02 C ATOM 0 H VAL A 12 9.178 -19.629 -0.906 1.00 33.25 H new ATOM 0 HA VAL A 12 7.830 -20.862 -3.011 1.00 72.24 H new ATOM 0 HB VAL A 12 10.039 -21.240 -3.954 1.00 1.12 H new ATOM 0 HG11 VAL A 12 11.012 -18.991 -3.742 1.00 5.32 H new ATOM 0 HG12 VAL A 12 9.243 -18.931 -3.922 1.00 5.32 H new ATOM 0 HG13 VAL A 12 9.984 -18.683 -2.323 1.00 5.32 H new ATOM 0 HG21 VAL A 12 12.089 -20.918 -2.630 1.00 63.02 H new ATOM 0 HG22 VAL A 12 11.103 -20.689 -1.166 1.00 63.02 H new ATOM 0 HG23 VAL A 12 11.103 -22.259 -2.002 1.00 63.02 H new ATOM 213 N THR A 13 8.923 -22.887 -0.729 1.00 61.13 N ATOM 214 CA THR A 13 8.952 -24.273 -0.281 1.00 21.44 C ATOM 215 C THR A 13 7.602 -24.948 -0.493 1.00 60.51 C ATOM 216 O THR A 13 7.510 -26.175 -0.530 1.00 52.44 O ATOM 217 CB THR A 13 9.335 -24.374 1.208 1.00 31.11 C ATOM 218 OG1 THR A 13 9.410 -25.749 1.603 1.00 51.52 O ATOM 219 CG2 THR A 13 8.321 -23.646 2.078 1.00 43.01 C ATOM 0 H THR A 13 9.134 -22.204 -0.002 1.00 61.13 H new ATOM 0 HA THR A 13 9.708 -24.782 -0.879 1.00 21.44 H new ATOM 0 HB THR A 13 10.309 -23.904 1.342 1.00 31.11 H new ATOM 0 HG1 THR A 13 9.655 -25.804 2.550 1.00 51.52 H new ATOM 0 HG21 THR A 13 8.612 -23.731 3.125 1.00 43.01 H new ATOM 0 HG22 THR A 13 8.288 -22.594 1.795 1.00 43.01 H new ATOM 0 HG23 THR A 13 7.336 -24.091 1.938 1.00 43.01 H new ATOM 227 N ASN A 14 6.557 -24.140 -0.633 1.00 14.43 N ATOM 228 CA ASN A 14 5.210 -24.660 -0.842 1.00 3.10 C ATOM 229 C ASN A 14 4.834 -24.617 -2.320 1.00 2.01 C ATOM 230 O ASN A 14 3.677 -24.829 -2.683 1.00 10.52 O ATOM 231 CB ASN A 14 4.198 -23.857 -0.023 1.00 12.20 C ATOM 232 CG ASN A 14 3.752 -24.591 1.227 1.00 65.22 C ATOM 233 OD1 ASN A 14 4.516 -24.734 2.182 1.00 65.45 O ATOM 234 ND2 ASN A 14 2.510 -25.061 1.226 1.00 65.22 N ATOM 0 H ASN A 14 6.616 -23.122 -0.606 1.00 14.43 H new ATOM 0 HA ASN A 14 5.193 -25.698 -0.511 1.00 3.10 H new ATOM 0 HB2 ASN A 14 4.640 -22.901 0.259 1.00 12.20 H new ATOM 0 HB3 ASN A 14 3.328 -23.636 -0.641 1.00 12.20 H new ATOM 0 HD21 ASN A 14 2.154 -25.564 2.039 1.00 65.22 H new ATOM 0 HD22 ASN A 14 1.912 -24.919 0.412 1.00 65.22 H new ATOM 241 N ARG A 15 5.820 -24.342 -3.168 1.00 31.40 N ATOM 242 CA ARG A 15 5.593 -24.271 -4.606 1.00 73.23 C ATOM 243 C ARG A 15 4.879 -25.524 -5.107 1.00 1.33 C ATOM 244 O ARG A 15 4.132 -25.476 -6.085 1.00 4.54 O ATOM 245 CB ARG A 15 6.921 -24.098 -5.346 1.00 14.11 C ATOM 246 CG ARG A 15 7.372 -22.651 -5.456 1.00 3.24 C ATOM 247 CD ARG A 15 8.844 -22.553 -5.826 1.00 70.21 C ATOM 248 NE ARG A 15 9.183 -23.416 -6.954 1.00 72.44 N ATOM 249 CZ ARG A 15 10.426 -23.627 -7.371 1.00 24.31 C ATOM 250 NH1 ARG A 15 11.444 -23.041 -6.755 1.00 53.00 N ATOM 251 NH2 ARG A 15 10.654 -24.427 -8.405 1.00 44.42 N ATOM 0 H ARG A 15 6.783 -24.165 -2.884 1.00 31.40 H new ATOM 0 HA ARG A 15 4.958 -23.408 -4.806 1.00 73.23 H new ATOM 0 HB2 ARG A 15 7.692 -24.672 -4.831 1.00 14.11 H new ATOM 0 HB3 ARG A 15 6.827 -24.518 -6.348 1.00 14.11 H new ATOM 0 HG2 ARG A 15 6.772 -22.138 -6.207 1.00 3.24 H new ATOM 0 HG3 ARG A 15 7.199 -22.142 -4.508 1.00 3.24 H new ATOM 0 HD2 ARG A 15 9.088 -21.520 -6.074 1.00 70.21 H new ATOM 0 HD3 ARG A 15 9.453 -22.826 -4.965 1.00 70.21 H new ATOM 0 HE ARG A 15 8.423 -23.883 -7.449 1.00 72.44 H new ATOM 0 HH11 ARG A 15 11.273 -22.427 -5.959 1.00 53.00 H new ATOM 0 HH12 ARG A 15 12.398 -23.205 -7.077 1.00 53.00 H new ATOM 0 HH21 ARG A 15 9.874 -24.881 -8.881 1.00 44.42 H new ATOM 0 HH22 ARG A 15 11.609 -24.588 -8.724 1.00 44.42 H new ATOM 265 N ILE A 16 5.115 -26.643 -4.430 1.00 52.31 N ATOM 266 CA ILE A 16 4.494 -27.907 -4.806 1.00 3.03 C ATOM 267 C ILE A 16 3.019 -27.932 -4.420 1.00 3.43 C ATOM 268 O ILE A 16 2.190 -28.498 -5.132 1.00 1.00 O ATOM 269 CB ILE A 16 5.206 -29.102 -4.145 1.00 4.14 C ATOM 270 CG1 ILE A 16 4.563 -30.417 -4.590 1.00 43.11 C ATOM 271 CG2 ILE A 16 5.164 -28.972 -2.629 1.00 53.34 C ATOM 272 CD1 ILE A 16 4.573 -30.617 -6.089 1.00 44.04 C ATOM 0 H ILE A 16 5.731 -26.700 -3.619 1.00 52.31 H new ATOM 0 HA ILE A 16 4.585 -27.993 -5.889 1.00 3.03 H new ATOM 0 HB ILE A 16 6.249 -29.104 -4.461 1.00 4.14 H new ATOM 0 HG12 ILE A 16 5.088 -31.247 -4.117 1.00 43.11 H new ATOM 0 HG13 ILE A 16 3.533 -30.447 -4.234 1.00 43.11 H new ATOM 0 HG21 ILE A 16 5.671 -29.824 -2.177 1.00 53.34 H new ATOM 0 HG22 ILE A 16 5.664 -28.051 -2.329 1.00 53.34 H new ATOM 0 HG23 ILE A 16 4.127 -28.948 -2.294 1.00 53.34 H new ATOM 0 HD11 ILE A 16 4.101 -31.569 -6.332 1.00 44.04 H new ATOM 0 HD12 ILE A 16 4.023 -29.807 -6.568 1.00 44.04 H new ATOM 0 HD13 ILE A 16 5.602 -30.619 -6.449 1.00 44.04 H new ATOM 284 N ARG A 17 2.699 -27.312 -3.288 1.00 70.04 N ATOM 285 CA ARG A 17 1.323 -27.262 -2.808 1.00 25.13 C ATOM 286 C ARG A 17 0.515 -26.225 -3.581 1.00 14.20 C ATOM 287 O ARG A 17 -0.585 -26.508 -4.056 1.00 71.04 O ATOM 288 CB ARG A 17 1.295 -26.936 -1.313 1.00 74.42 C ATOM 289 CG ARG A 17 2.337 -27.691 -0.505 1.00 62.41 C ATOM 290 CD ARG A 17 2.248 -29.191 -0.742 1.00 55.24 C ATOM 291 NE ARG A 17 3.220 -29.931 0.057 1.00 4.40 N ATOM 292 CZ ARG A 17 3.320 -31.255 0.052 1.00 22.22 C ATOM 293 NH1 ARG A 17 2.511 -31.982 -0.707 1.00 2.44 N ATOM 294 NH2 ARG A 17 4.231 -31.856 0.807 1.00 2.12 N ATOM 0 H ARG A 17 3.373 -26.838 -2.687 1.00 70.04 H new ATOM 0 HA ARG A 17 0.872 -28.241 -2.969 1.00 25.13 H new ATOM 0 HB2 ARG A 17 1.451 -25.865 -1.180 1.00 74.42 H new ATOM 0 HB3 ARG A 17 0.305 -27.166 -0.918 1.00 74.42 H new ATOM 0 HG2 ARG A 17 3.333 -27.338 -0.773 1.00 62.41 H new ATOM 0 HG3 ARG A 17 2.199 -27.480 0.556 1.00 62.41 H new ATOM 0 HD2 ARG A 17 1.243 -29.537 -0.501 1.00 55.24 H new ATOM 0 HD3 ARG A 17 2.413 -29.401 -1.799 1.00 55.24 H new ATOM 0 HE ARG A 17 3.858 -29.402 0.652 1.00 4.40 H new ATOM 0 HH11 ARG A 17 1.810 -31.524 -1.289 1.00 2.44 H new ATOM 0 HH12 ARG A 17 2.590 -32.999 -0.709 1.00 2.44 H new ATOM 0 HH21 ARG A 17 4.855 -31.301 1.392 1.00 2.12 H new ATOM 0 HH22 ARG A 17 4.307 -32.873 0.802 1.00 2.12 H new ATOM 308 N VAL A 18 1.067 -25.022 -3.702 1.00 53.33 N ATOM 309 CA VAL A 18 0.397 -23.942 -4.418 1.00 64.11 C ATOM 310 C VAL A 18 1.399 -22.901 -4.904 1.00 4.21 C ATOM 311 O VAL A 18 2.431 -22.673 -4.272 1.00 22.20 O ATOM 312 CB VAL A 18 -0.656 -23.251 -3.533 1.00 14.52 C ATOM 313 CG1 VAL A 18 0.005 -22.585 -2.336 1.00 23.34 C ATOM 314 CG2 VAL A 18 -1.451 -22.238 -4.344 1.00 34.33 C ATOM 0 H VAL A 18 1.976 -24.770 -3.314 1.00 53.33 H new ATOM 0 HA VAL A 18 -0.100 -24.392 -5.277 1.00 64.11 H new ATOM 0 HB VAL A 18 -1.346 -24.009 -3.162 1.00 14.52 H new ATOM 0 HG11 VAL A 18 -0.756 -22.102 -1.722 1.00 23.34 H new ATOM 0 HG12 VAL A 18 0.526 -23.337 -1.743 1.00 23.34 H new ATOM 0 HG13 VAL A 18 0.719 -21.838 -2.683 1.00 23.34 H new ATOM 0 HG21 VAL A 18 -2.191 -21.759 -3.703 1.00 34.33 H new ATOM 0 HG22 VAL A 18 -0.775 -21.483 -4.746 1.00 34.33 H new ATOM 0 HG23 VAL A 18 -1.957 -22.746 -5.165 1.00 34.33 H new ATOM 324 N LYS A 19 1.089 -22.270 -6.031 1.00 52.22 N ATOM 325 CA LYS A 19 1.960 -21.250 -6.603 1.00 23.20 C ATOM 326 C LYS A 19 1.499 -19.853 -6.201 1.00 44.21 C ATOM 327 O LYS A 19 0.381 -19.672 -5.717 1.00 41.03 O ATOM 328 CB LYS A 19 1.988 -21.371 -8.128 1.00 51.44 C ATOM 329 CG LYS A 19 2.382 -22.752 -8.622 1.00 44.34 C ATOM 330 CD LYS A 19 1.162 -23.603 -8.932 1.00 3.21 C ATOM 331 CE LYS A 19 1.458 -25.085 -8.758 1.00 51.34 C ATOM 332 NZ LYS A 19 2.405 -25.586 -9.793 1.00 32.24 N ATOM 0 H LYS A 19 0.240 -22.447 -6.567 1.00 52.22 H new ATOM 0 HA LYS A 19 2.966 -21.407 -6.214 1.00 23.20 H new ATOM 0 HB2 LYS A 19 1.003 -21.121 -8.522 1.00 51.44 H new ATOM 0 HB3 LYS A 19 2.687 -20.638 -8.529 1.00 51.44 H new ATOM 0 HG2 LYS A 19 2.997 -22.657 -9.517 1.00 44.34 H new ATOM 0 HG3 LYS A 19 2.991 -23.249 -7.867 1.00 44.34 H new ATOM 0 HD2 LYS A 19 0.340 -23.315 -8.276 1.00 3.21 H new ATOM 0 HD3 LYS A 19 0.835 -23.414 -9.954 1.00 3.21 H new ATOM 0 HE2 LYS A 19 1.878 -25.258 -7.767 1.00 51.34 H new ATOM 0 HE3 LYS A 19 0.528 -25.650 -8.813 1.00 51.34 H new ATOM 0 HZ1 LYS A 19 2.582 -26.600 -9.641 1.00 32.24 H new ATOM 0 HZ2 LYS A 19 1.994 -25.444 -10.738 1.00 32.24 H new ATOM 0 HZ3 LYS A 19 3.302 -25.064 -9.724 1.00 32.24 H new ATOM 346 N LEU A 20 2.366 -18.867 -6.405 1.00 64.45 N ATOM 347 CA LEU A 20 2.047 -17.485 -6.066 1.00 5.12 C ATOM 348 C LEU A 20 1.003 -16.917 -7.021 1.00 51.40 C ATOM 349 O LEU A 20 0.884 -17.338 -8.172 1.00 1.51 O ATOM 350 CB LEU A 20 3.312 -16.625 -6.104 1.00 51.12 C ATOM 351 CG LEU A 20 4.551 -17.223 -5.437 1.00 12.35 C ATOM 352 CD1 LEU A 20 5.796 -16.443 -5.827 1.00 5.40 C ATOM 353 CD2 LEU A 20 4.384 -17.243 -3.924 1.00 42.11 C ATOM 0 H LEU A 20 3.296 -18.999 -6.804 1.00 64.45 H new ATOM 0 HA LEU A 20 1.635 -17.470 -5.057 1.00 5.12 H new ATOM 0 HB2 LEU A 20 3.552 -16.413 -7.146 1.00 51.12 H new ATOM 0 HB3 LEU A 20 3.092 -15.670 -5.627 1.00 51.12 H new ATOM 0 HG LEU A 20 4.667 -18.250 -5.784 1.00 12.35 H new ATOM 0 HD11 LEU A 20 6.668 -16.883 -5.343 1.00 5.40 H new ATOM 0 HD12 LEU A 20 5.925 -16.480 -6.909 1.00 5.40 H new ATOM 0 HD13 LEU A 20 5.690 -15.406 -5.510 1.00 5.40 H new ATOM 0 HD21 LEU A 20 5.275 -17.672 -3.465 1.00 42.11 H new ATOM 0 HD22 LEU A 20 4.242 -16.225 -3.560 1.00 42.11 H new ATOM 0 HD23 LEU A 20 3.515 -17.846 -3.662 1.00 42.11 H new ATOM 365 N PRO A 21 0.228 -15.935 -6.535 1.00 61.43 N ATOM 366 CA PRO A 21 -0.818 -15.286 -7.330 1.00 54.03 C ATOM 367 C PRO A 21 -0.245 -14.415 -8.443 1.00 63.51 C ATOM 368 O PRO A 21 0.957 -14.443 -8.711 1.00 32.14 O ATOM 369 CB PRO A 21 -1.559 -14.424 -6.305 1.00 52.11 C ATOM 370 CG PRO A 21 -0.555 -14.159 -5.237 1.00 11.21 C ATOM 371 CD PRO A 21 0.314 -15.384 -5.173 1.00 3.14 C ATOM 0 HA PRO A 21 -1.454 -16.012 -7.837 1.00 54.03 H new ATOM 0 HB2 PRO A 21 -1.916 -13.496 -6.752 1.00 52.11 H new ATOM 0 HB3 PRO A 21 -2.432 -14.943 -5.908 1.00 52.11 H new ATOM 0 HG2 PRO A 21 0.036 -13.273 -5.468 1.00 11.21 H new ATOM 0 HG3 PRO A 21 -1.043 -13.976 -4.280 1.00 11.21 H new ATOM 0 HD2 PRO A 21 1.341 -15.135 -4.905 1.00 3.14 H new ATOM 0 HD3 PRO A 21 -0.047 -16.094 -4.429 1.00 3.14 H new ATOM 379 N LYS A 22 -1.111 -13.642 -9.089 1.00 60.53 N ATOM 380 CA LYS A 22 -0.691 -12.762 -10.173 1.00 11.43 C ATOM 381 C LYS A 22 -0.396 -11.359 -9.650 1.00 71.24 C ATOM 382 O LYS A 22 0.495 -10.674 -10.152 1.00 63.34 O ATOM 383 CB LYS A 22 -1.772 -12.698 -11.254 1.00 13.32 C ATOM 384 CG LYS A 22 -3.149 -12.347 -10.717 1.00 33.40 C ATOM 385 CD LYS A 22 -3.790 -11.224 -11.515 1.00 4.11 C ATOM 386 CE LYS A 22 -3.003 -9.929 -11.384 1.00 13.45 C ATOM 387 NZ LYS A 22 -3.885 -8.732 -11.479 1.00 30.30 N ATOM 0 H LYS A 22 -2.109 -13.607 -8.881 1.00 60.53 H new ATOM 0 HA LYS A 22 0.222 -13.170 -10.606 1.00 11.43 H new ATOM 0 HB2 LYS A 22 -1.483 -11.959 -12.001 1.00 13.32 H new ATOM 0 HB3 LYS A 22 -1.824 -13.661 -11.762 1.00 13.32 H new ATOM 0 HG2 LYS A 22 -3.789 -13.229 -10.750 1.00 33.40 H new ATOM 0 HG3 LYS A 22 -3.068 -12.051 -9.671 1.00 33.40 H new ATOM 0 HD2 LYS A 22 -3.850 -11.510 -12.565 1.00 4.11 H new ATOM 0 HD3 LYS A 22 -4.812 -11.067 -11.169 1.00 4.11 H new ATOM 0 HE2 LYS A 22 -2.478 -9.918 -10.429 1.00 13.45 H new ATOM 0 HE3 LYS A 22 -2.245 -9.884 -12.166 1.00 13.45 H new ATOM 0 HZ1 LYS A 22 -3.301 -7.873 -11.522 1.00 30.30 H new ATOM 0 HZ2 LYS A 22 -4.468 -8.797 -12.338 1.00 30.30 H new ATOM 0 HZ3 LYS A 22 -4.503 -8.689 -10.644 1.00 30.30 H new ATOM 401 N ASP A 23 -1.149 -10.939 -8.640 1.00 2.13 N ATOM 402 CA ASP A 23 -0.966 -9.619 -8.048 1.00 11.24 C ATOM 403 C ASP A 23 0.123 -9.648 -6.980 1.00 65.03 C ATOM 404 O ASP A 23 -0.079 -9.182 -5.859 1.00 22.42 O ATOM 405 CB ASP A 23 -2.279 -9.123 -7.440 1.00 51.42 C ATOM 406 CG ASP A 23 -3.206 -8.519 -8.478 1.00 25.53 C ATOM 407 OD1 ASP A 23 -2.856 -7.462 -9.043 1.00 3.01 O ATOM 408 OD2 ASP A 23 -4.280 -9.105 -8.725 1.00 60.42 O ATOM 0 H ASP A 23 -1.892 -11.493 -8.214 1.00 2.13 H new ATOM 0 HA ASP A 23 -0.658 -8.934 -8.838 1.00 11.24 H new ATOM 0 HB2 ASP A 23 -2.784 -9.953 -6.946 1.00 51.42 H new ATOM 0 HB3 ASP A 23 -2.063 -8.379 -6.673 1.00 51.42 H new ATOM 413 N VAL A 24 1.279 -10.200 -7.337 1.00 3.54 N ATOM 414 CA VAL A 24 2.401 -10.290 -6.410 1.00 2.22 C ATOM 415 C VAL A 24 3.731 -10.152 -7.142 1.00 3.11 C ATOM 416 O VAL A 24 3.928 -10.736 -8.208 1.00 4.42 O ATOM 417 CB VAL A 24 2.387 -11.624 -5.640 1.00 43.11 C ATOM 418 CG1 VAL A 24 2.697 -12.783 -6.575 1.00 31.20 C ATOM 419 CG2 VAL A 24 3.375 -11.582 -4.484 1.00 44.12 C ATOM 0 H VAL A 24 1.463 -10.591 -8.261 1.00 3.54 H new ATOM 0 HA VAL A 24 2.293 -9.469 -5.701 1.00 2.22 H new ATOM 0 HB VAL A 24 1.389 -11.776 -5.229 1.00 43.11 H new ATOM 0 HG11 VAL A 24 2.683 -13.717 -6.014 1.00 31.20 H new ATOM 0 HG12 VAL A 24 1.948 -12.823 -7.365 1.00 31.20 H new ATOM 0 HG13 VAL A 24 3.683 -12.640 -7.017 1.00 31.20 H new ATOM 0 HG21 VAL A 24 3.352 -12.532 -3.951 1.00 44.12 H new ATOM 0 HG22 VAL A 24 4.379 -11.407 -4.870 1.00 44.12 H new ATOM 0 HG23 VAL A 24 3.103 -10.777 -3.802 1.00 44.12 H new ATOM 429 N ASP A 25 4.641 -9.376 -6.563 1.00 22.52 N ATOM 430 CA ASP A 25 5.955 -9.163 -7.159 1.00 53.51 C ATOM 431 C ASP A 25 7.013 -10.011 -6.461 1.00 42.30 C ATOM 432 O ASP A 25 7.235 -9.877 -5.257 1.00 72.54 O ATOM 433 CB ASP A 25 6.338 -7.684 -7.084 1.00 54.44 C ATOM 434 CG ASP A 25 5.854 -6.899 -8.288 1.00 43.11 C ATOM 435 OD1 ASP A 25 4.625 -6.743 -8.440 1.00 33.44 O ATOM 436 OD2 ASP A 25 6.706 -6.441 -9.079 1.00 54.11 O ATOM 0 H ASP A 25 4.493 -8.884 -5.682 1.00 22.52 H new ATOM 0 HA ASP A 25 5.906 -9.466 -8.205 1.00 53.51 H new ATOM 0 HB2 ASP A 25 5.918 -7.248 -6.177 1.00 54.44 H new ATOM 0 HB3 ASP A 25 7.422 -7.596 -7.008 1.00 54.44 H new ATOM 441 N ARG A 26 7.663 -10.883 -7.224 1.00 70.24 N ATOM 442 CA ARG A 26 8.696 -11.755 -6.679 1.00 3.14 C ATOM 443 C ARG A 26 9.971 -10.969 -6.385 1.00 20.10 C ATOM 444 O ARG A 26 10.684 -11.258 -5.423 1.00 44.25 O ATOM 445 CB ARG A 26 9.000 -12.894 -7.653 1.00 71.05 C ATOM 446 CG ARG A 26 8.113 -14.113 -7.461 1.00 31.23 C ATOM 447 CD ARG A 26 8.870 -15.254 -6.799 1.00 61.13 C ATOM 448 NE ARG A 26 10.050 -15.645 -7.566 1.00 3.31 N ATOM 449 CZ ARG A 26 10.007 -16.447 -8.624 1.00 50.51 C ATOM 450 NH1 ARG A 26 8.848 -16.940 -9.039 1.00 44.33 N ATOM 451 NH2 ARG A 26 11.124 -16.756 -9.270 1.00 22.04 N ATOM 0 H ARG A 26 7.492 -11.004 -8.222 1.00 70.24 H new ATOM 0 HA ARG A 26 8.324 -12.176 -5.745 1.00 3.14 H new ATOM 0 HB2 ARG A 26 8.885 -12.529 -8.673 1.00 71.05 H new ATOM 0 HB3 ARG A 26 10.042 -13.192 -7.537 1.00 71.05 H new ATOM 0 HG2 ARG A 26 7.251 -13.844 -6.851 1.00 31.23 H new ATOM 0 HG3 ARG A 26 7.730 -14.441 -8.427 1.00 31.23 H new ATOM 0 HD2 ARG A 26 9.173 -14.954 -5.796 1.00 61.13 H new ATOM 0 HD3 ARG A 26 8.208 -16.113 -6.689 1.00 61.13 H new ATOM 0 HE ARG A 26 10.957 -15.282 -7.273 1.00 3.31 H new ATOM 0 HH11 ARG A 26 7.987 -16.704 -8.546 1.00 44.33 H new ATOM 0 HH12 ARG A 26 8.817 -17.556 -9.852 1.00 44.33 H new ATOM 0 HH21 ARG A 26 12.017 -16.378 -8.954 1.00 22.04 H new ATOM 0 HH22 ARG A 26 11.090 -17.372 -10.082 1.00 22.04 H new ATOM 465 N THR A 27 10.252 -9.974 -7.220 1.00 45.05 N ATOM 466 CA THR A 27 11.441 -9.148 -7.052 1.00 42.22 C ATOM 467 C THR A 27 11.537 -8.605 -5.631 1.00 32.01 C ATOM 468 O THR A 27 12.559 -8.762 -4.964 1.00 24.42 O ATOM 469 CB THR A 27 11.450 -7.968 -8.042 1.00 12.51 C ATOM 470 OG1 THR A 27 11.175 -8.437 -9.367 1.00 24.04 O ATOM 471 CG2 THR A 27 12.792 -7.252 -8.020 1.00 23.52 C ATOM 0 H THR A 27 9.672 -9.720 -8.020 1.00 45.05 H new ATOM 0 HA THR A 27 12.301 -9.787 -7.253 1.00 42.22 H new ATOM 0 HB THR A 27 10.676 -7.263 -7.739 1.00 12.51 H new ATOM 0 HG1 THR A 27 11.181 -7.680 -9.990 1.00 24.04 H new ATOM 0 HG21 THR A 27 12.774 -6.423 -8.727 1.00 23.52 H new ATOM 0 HG22 THR A 27 12.984 -6.870 -7.017 1.00 23.52 H new ATOM 0 HG23 THR A 27 13.581 -7.950 -8.300 1.00 23.52 H new ATOM 479 N ARG A 28 10.465 -7.966 -5.173 1.00 61.21 N ATOM 480 CA ARG A 28 10.429 -7.400 -3.830 1.00 40.42 C ATOM 481 C ARG A 28 9.268 -7.979 -3.027 1.00 3.23 C ATOM 482 O ARG A 28 8.362 -7.254 -2.614 1.00 2.13 O ATOM 483 CB ARG A 28 10.305 -5.876 -3.899 1.00 64.45 C ATOM 484 CG ARG A 28 11.179 -5.243 -4.970 1.00 54.40 C ATOM 485 CD ARG A 28 12.656 -5.466 -4.688 1.00 41.21 C ATOM 486 NE ARG A 28 13.503 -4.546 -5.443 1.00 15.30 N ATOM 487 CZ ARG A 28 14.788 -4.767 -5.692 1.00 44.32 C ATOM 488 NH1 ARG A 28 15.373 -5.871 -5.249 1.00 73.32 N ATOM 489 NH2 ARG A 28 15.493 -3.882 -6.387 1.00 15.15 N ATOM 0 H ARG A 28 9.610 -7.828 -5.712 1.00 61.21 H new ATOM 0 HA ARG A 28 11.361 -7.660 -3.328 1.00 40.42 H new ATOM 0 HB2 ARG A 28 9.264 -5.613 -4.088 1.00 64.45 H new ATOM 0 HB3 ARG A 28 10.569 -5.454 -2.929 1.00 64.45 H new ATOM 0 HG2 ARG A 28 10.926 -5.664 -5.943 1.00 54.40 H new ATOM 0 HG3 ARG A 28 10.975 -4.174 -5.022 1.00 54.40 H new ATOM 0 HD2 ARG A 28 12.844 -5.340 -3.622 1.00 41.21 H new ATOM 0 HD3 ARG A 28 12.922 -6.493 -4.939 1.00 41.21 H new ATOM 0 HE ARG A 28 13.084 -3.687 -5.798 1.00 15.30 H new ATOM 0 HH11 ARG A 28 14.836 -6.554 -4.715 1.00 73.32 H new ATOM 0 HH12 ARG A 28 16.361 -6.038 -5.442 1.00 73.32 H new ATOM 0 HH21 ARG A 28 15.047 -3.031 -6.730 1.00 15.15 H new ATOM 0 HH22 ARG A 28 16.480 -4.053 -6.578 1.00 15.15 H new ATOM 503 N LEU A 29 9.302 -9.289 -2.809 1.00 51.12 N ATOM 504 CA LEU A 29 8.253 -9.966 -2.055 1.00 74.45 C ATOM 505 C LEU A 29 8.266 -9.533 -0.593 1.00 25.50 C ATOM 506 O LEU A 29 7.305 -9.760 0.140 1.00 35.20 O ATOM 507 CB LEU A 29 8.426 -11.483 -2.152 1.00 23.11 C ATOM 508 CG LEU A 29 7.186 -12.322 -1.842 1.00 51.11 C ATOM 509 CD1 LEU A 29 6.088 -12.047 -2.858 1.00 64.24 C ATOM 510 CD2 LEU A 29 7.536 -13.803 -1.819 1.00 14.30 C ATOM 0 H LEU A 29 10.044 -9.903 -3.144 1.00 51.12 H new ATOM 0 HA LEU A 29 7.292 -9.688 -2.488 1.00 74.45 H new ATOM 0 HB2 LEU A 29 8.762 -11.726 -3.160 1.00 23.11 H new ATOM 0 HB3 LEU A 29 9.222 -11.782 -1.470 1.00 23.11 H new ATOM 0 HG LEU A 29 6.818 -12.041 -0.855 1.00 51.11 H new ATOM 0 HD11 LEU A 29 5.213 -12.653 -2.621 1.00 64.24 H new ATOM 0 HD12 LEU A 29 5.818 -10.992 -2.825 1.00 64.24 H new ATOM 0 HD13 LEU A 29 6.445 -12.299 -3.857 1.00 64.24 H new ATOM 0 HD21 LEU A 29 6.641 -14.385 -1.597 1.00 14.30 H new ATOM 0 HD22 LEU A 29 7.929 -14.099 -2.792 1.00 14.30 H new ATOM 0 HD23 LEU A 29 8.288 -13.987 -1.052 1.00 14.30 H new ATOM 522 N GLU A 30 9.363 -8.908 -0.177 1.00 0.42 N ATOM 523 CA GLU A 30 9.501 -8.442 1.198 1.00 15.31 C ATOM 524 C GLU A 30 8.385 -7.464 1.555 1.00 13.15 C ATOM 525 O GLU A 30 7.831 -7.512 2.654 1.00 21.00 O ATOM 526 CB GLU A 30 10.862 -7.774 1.400 1.00 25.32 C ATOM 527 CG GLU A 30 10.975 -6.409 0.743 1.00 14.21 C ATOM 528 CD GLU A 30 12.413 -5.987 0.516 1.00 3.25 C ATOM 529 OE1 GLU A 30 13.292 -6.440 1.279 1.00 63.02 O ATOM 530 OE2 GLU A 30 12.660 -5.203 -0.424 1.00 72.12 O ATOM 0 H GLU A 30 10.168 -8.713 -0.772 1.00 0.42 H new ATOM 0 HA GLU A 30 9.428 -9.307 1.857 1.00 15.31 H new ATOM 0 HB2 GLU A 30 11.051 -7.670 2.468 1.00 25.32 H new ATOM 0 HB3 GLU A 30 11.639 -8.425 1.001 1.00 25.32 H new ATOM 0 HG2 GLU A 30 10.450 -6.425 -0.212 1.00 14.21 H new ATOM 0 HG3 GLU A 30 10.477 -5.667 1.368 1.00 14.21 H new ATOM 537 N ARG A 31 8.061 -6.577 0.620 1.00 73.52 N ATOM 538 CA ARG A 31 7.013 -5.587 0.836 1.00 71.12 C ATOM 539 C ARG A 31 5.640 -6.250 0.885 1.00 34.43 C ATOM 540 O ARG A 31 4.652 -5.629 1.278 1.00 52.52 O ATOM 541 CB ARG A 31 7.042 -4.533 -0.272 1.00 41.41 C ATOM 542 CG ARG A 31 8.182 -3.537 -0.135 1.00 10.50 C ATOM 543 CD ARG A 31 8.480 -2.846 -1.457 1.00 2.25 C ATOM 544 NE ARG A 31 9.825 -2.277 -1.486 1.00 11.15 N ATOM 545 CZ ARG A 31 10.290 -1.540 -2.488 1.00 55.31 C ATOM 546 NH1 ARG A 31 9.522 -1.283 -3.538 1.00 74.10 N ATOM 547 NH2 ARG A 31 11.525 -1.057 -2.441 1.00 54.14 N ATOM 0 H ARG A 31 8.509 -6.524 -0.295 1.00 73.52 H new ATOM 0 HA ARG A 31 7.198 -5.103 1.795 1.00 71.12 H new ATOM 0 HB2 ARG A 31 7.123 -5.034 -1.237 1.00 41.41 H new ATOM 0 HB3 ARG A 31 6.096 -3.992 -0.272 1.00 41.41 H new ATOM 0 HG2 ARG A 31 7.926 -2.791 0.617 1.00 10.50 H new ATOM 0 HG3 ARG A 31 9.076 -4.052 0.217 1.00 10.50 H new ATOM 0 HD2 ARG A 31 8.371 -3.561 -2.272 1.00 2.25 H new ATOM 0 HD3 ARG A 31 7.748 -2.056 -1.626 1.00 2.25 H new ATOM 0 HE ARG A 31 10.441 -2.456 -0.693 1.00 11.15 H new ATOM 0 HH11 ARG A 31 8.572 -1.652 -3.577 1.00 74.10 H new ATOM 0 HH12 ARG A 31 9.881 -0.717 -4.306 1.00 74.10 H new ATOM 0 HH21 ARG A 31 12.118 -1.252 -1.635 1.00 54.14 H new ATOM 0 HH22 ARG A 31 11.881 -0.491 -3.211 1.00 54.14 H new ATOM 561 N HIS A 32 5.585 -7.517 0.484 1.00 11.42 N ATOM 562 CA HIS A 32 4.333 -8.265 0.483 1.00 53.42 C ATOM 563 C HIS A 32 4.175 -9.062 1.774 1.00 72.11 C ATOM 564 O HIS A 32 3.136 -9.679 2.012 1.00 74.13 O ATOM 565 CB HIS A 32 4.277 -9.205 -0.721 1.00 64.33 C ATOM 566 CG HIS A 32 3.774 -8.550 -1.971 1.00 21.14 C ATOM 567 ND1 HIS A 32 2.434 -8.350 -2.228 1.00 44.21 N ATOM 568 CD2 HIS A 32 4.440 -8.047 -3.036 1.00 51.13 C ATOM 569 CE1 HIS A 32 2.298 -7.753 -3.399 1.00 33.50 C ATOM 570 NE2 HIS A 32 3.500 -7.558 -3.910 1.00 31.01 N ATOM 0 H HIS A 32 6.393 -8.046 0.156 1.00 11.42 H new ATOM 0 HA HIS A 32 3.512 -7.551 0.415 1.00 53.42 H new ATOM 0 HB2 HIS A 32 5.274 -9.604 -0.906 1.00 64.33 H new ATOM 0 HB3 HIS A 32 3.634 -10.052 -0.481 1.00 64.33 H new ATOM 0 HD1 HIS A 32 1.668 -8.620 -1.611 1.00 44.21 H new ATOM 0 HD2 HIS A 32 5.511 -8.033 -3.173 1.00 51.13 H new ATOM 0 HE1 HIS A 32 1.363 -7.472 -3.860 1.00 33.50 H new ATOM 578 N LEU A 33 5.212 -9.046 2.604 1.00 52.10 N ATOM 579 CA LEU A 33 5.189 -9.768 3.871 1.00 32.12 C ATOM 580 C LEU A 33 5.208 -8.800 5.050 1.00 33.30 C ATOM 581 O LEU A 33 6.055 -7.911 5.122 1.00 3.40 O ATOM 582 CB LEU A 33 6.382 -10.721 3.960 1.00 44.24 C ATOM 583 CG LEU A 33 6.126 -12.054 4.663 1.00 23.10 C ATOM 584 CD1 LEU A 33 5.444 -13.033 3.720 1.00 13.41 C ATOM 585 CD2 LEU A 33 7.429 -12.638 5.189 1.00 22.42 C ATOM 0 H LEU A 33 6.079 -8.541 2.422 1.00 52.10 H new ATOM 0 HA LEU A 33 4.266 -10.346 3.914 1.00 32.12 H new ATOM 0 HB2 LEU A 33 6.732 -10.928 2.949 1.00 44.24 H new ATOM 0 HB3 LEU A 33 7.192 -10.209 4.479 1.00 44.24 H new ATOM 0 HG LEU A 33 5.463 -11.875 5.509 1.00 23.10 H new ATOM 0 HD11 LEU A 33 5.270 -13.976 4.238 1.00 13.41 H new ATOM 0 HD12 LEU A 33 4.491 -12.618 3.392 1.00 13.41 H new ATOM 0 HD13 LEU A 33 6.082 -13.208 2.853 1.00 13.41 H new ATOM 0 HD21 LEU A 33 7.228 -13.587 5.686 1.00 22.42 H new ATOM 0 HD22 LEU A 33 8.116 -12.802 4.358 1.00 22.42 H new ATOM 0 HD23 LEU A 33 7.878 -11.944 5.899 1.00 22.42 H new ATOM 597 N SER A 34 4.269 -8.982 5.973 1.00 12.22 N ATOM 598 CA SER A 34 4.176 -8.124 7.149 1.00 44.35 C ATOM 599 C SER A 34 5.531 -8.001 7.840 1.00 61.34 C ATOM 600 O SER A 34 6.445 -8.796 7.617 1.00 74.05 O ATOM 601 CB SER A 34 3.139 -8.675 8.129 1.00 62.24 C ATOM 602 OG SER A 34 3.761 -9.407 9.171 1.00 71.23 O ATOM 0 H SER A 34 3.562 -9.716 5.929 1.00 12.22 H new ATOM 0 HA SER A 34 3.863 -7.133 6.821 1.00 44.35 H new ATOM 0 HB2 SER A 34 2.561 -7.853 8.552 1.00 62.24 H new ATOM 0 HB3 SER A 34 2.437 -9.318 7.598 1.00 62.24 H new ATOM 0 HG SER A 34 3.077 -9.747 9.785 1.00 71.23 H new ATOM 608 N PRO A 35 5.665 -6.981 8.700 1.00 45.02 N ATOM 609 CA PRO A 35 6.904 -6.729 9.442 1.00 23.31 C ATOM 610 C PRO A 35 7.168 -7.789 10.506 1.00 21.40 C ATOM 611 O PRO A 35 8.292 -8.270 10.650 1.00 14.25 O ATOM 612 CB PRO A 35 6.656 -5.367 10.095 1.00 63.04 C ATOM 613 CG PRO A 35 5.174 -5.264 10.205 1.00 22.35 C ATOM 614 CD PRO A 35 4.618 -5.995 9.015 1.00 42.25 C ATOM 0 HA PRO A 35 7.779 -6.753 8.793 1.00 23.31 H new ATOM 0 HB2 PRO A 35 7.131 -5.305 11.074 1.00 63.04 H new ATOM 0 HB3 PRO A 35 7.065 -4.558 9.490 1.00 63.04 H new ATOM 0 HG2 PRO A 35 4.820 -5.708 11.136 1.00 22.35 H new ATOM 0 HG3 PRO A 35 4.854 -4.222 10.207 1.00 22.35 H new ATOM 0 HD2 PRO A 35 3.669 -6.477 9.247 1.00 42.25 H new ATOM 0 HD3 PRO A 35 4.436 -5.321 8.178 1.00 42.25 H new ATOM 622 N GLU A 36 6.125 -8.149 11.248 1.00 62.54 N ATOM 623 CA GLU A 36 6.246 -9.153 12.299 1.00 62.04 C ATOM 624 C GLU A 36 6.610 -10.514 11.712 1.00 4.11 C ATOM 625 O GLU A 36 7.344 -11.289 12.325 1.00 1.40 O ATOM 626 CB GLU A 36 4.939 -9.259 13.087 1.00 51.53 C ATOM 627 CG GLU A 36 4.811 -8.226 14.194 1.00 31.33 C ATOM 628 CD GLU A 36 3.620 -8.484 15.097 1.00 24.14 C ATOM 629 OE1 GLU A 36 3.495 -9.618 15.606 1.00 40.34 O ATOM 630 OE2 GLU A 36 2.814 -7.551 15.296 1.00 61.12 O ATOM 0 H GLU A 36 5.188 -7.761 11.141 1.00 62.54 H new ATOM 0 HA GLU A 36 7.044 -8.842 12.973 1.00 62.04 H new ATOM 0 HB2 GLU A 36 4.100 -9.149 12.400 1.00 51.53 H new ATOM 0 HB3 GLU A 36 4.866 -10.256 13.522 1.00 51.53 H new ATOM 0 HG2 GLU A 36 5.722 -8.225 14.792 1.00 31.33 H new ATOM 0 HG3 GLU A 36 4.719 -7.234 13.752 1.00 31.33 H new ATOM 637 N GLU A 37 6.091 -10.797 10.521 1.00 3.23 N ATOM 638 CA GLU A 37 6.361 -12.064 9.853 1.00 72.41 C ATOM 639 C GLU A 37 7.783 -12.097 9.301 1.00 40.22 C ATOM 640 O GLU A 37 8.470 -13.115 9.383 1.00 73.41 O ATOM 641 CB GLU A 37 5.357 -12.293 8.721 1.00 41.23 C ATOM 642 CG GLU A 37 4.251 -13.272 9.076 1.00 64.51 C ATOM 643 CD GLU A 37 3.339 -12.751 10.169 1.00 23.35 C ATOM 644 OE1 GLU A 37 3.787 -12.682 11.333 1.00 33.32 O ATOM 645 OE2 GLU A 37 2.178 -12.412 9.861 1.00 74.23 O ATOM 0 H GLU A 37 5.482 -10.166 10.000 1.00 3.23 H new ATOM 0 HA GLU A 37 6.257 -12.862 10.588 1.00 72.41 H new ATOM 0 HB2 GLU A 37 4.910 -11.338 8.445 1.00 41.23 H new ATOM 0 HB3 GLU A 37 5.889 -12.662 7.844 1.00 41.23 H new ATOM 0 HG2 GLU A 37 3.660 -13.485 8.185 1.00 64.51 H new ATOM 0 HG3 GLU A 37 4.695 -14.215 9.397 1.00 64.51 H new ATOM 652 N PHE A 38 8.218 -10.975 8.738 1.00 44.44 N ATOM 653 CA PHE A 38 9.558 -10.874 8.170 1.00 10.11 C ATOM 654 C PHE A 38 10.621 -11.103 9.241 1.00 52.33 C ATOM 655 O PHE A 38 11.608 -11.800 9.010 1.00 70.41 O ATOM 656 CB PHE A 38 9.758 -9.503 7.522 1.00 43.45 C ATOM 657 CG PHE A 38 10.523 -9.556 6.230 1.00 24.22 C ATOM 658 CD1 PHE A 38 9.973 -10.154 5.108 1.00 41.02 C ATOM 659 CD2 PHE A 38 11.793 -9.009 6.139 1.00 62.42 C ATOM 660 CE1 PHE A 38 10.674 -10.205 3.918 1.00 44.32 C ATOM 661 CE2 PHE A 38 12.499 -9.057 4.951 1.00 10.25 C ATOM 662 CZ PHE A 38 11.939 -9.656 3.840 1.00 65.20 C ATOM 0 H PHE A 38 7.663 -10.123 8.663 1.00 44.44 H new ATOM 0 HA PHE A 38 9.662 -11.647 7.408 1.00 10.11 H new ATOM 0 HB2 PHE A 38 8.783 -9.051 7.339 1.00 43.45 H new ATOM 0 HB3 PHE A 38 10.285 -8.853 8.221 1.00 43.45 H new ATOM 0 HD1 PHE A 38 8.985 -10.586 5.164 1.00 41.02 H new ATOM 0 HD2 PHE A 38 12.236 -8.540 7.005 1.00 62.42 H new ATOM 0 HE1 PHE A 38 10.233 -10.673 3.050 1.00 44.32 H new ATOM 0 HE2 PHE A 38 13.488 -8.626 4.892 1.00 10.25 H new ATOM 0 HZ PHE A 38 12.489 -9.695 2.912 1.00 65.20 H new ATOM 672 N GLN A 39 10.411 -10.509 10.411 1.00 35.33 N ATOM 673 CA GLN A 39 11.351 -10.647 11.517 1.00 31.30 C ATOM 674 C GLN A 39 11.173 -11.990 12.219 1.00 51.33 C ATOM 675 O GLN A 39 12.096 -12.493 12.858 1.00 12.24 O ATOM 676 CB GLN A 39 11.164 -9.506 12.518 1.00 22.25 C ATOM 677 CG GLN A 39 9.797 -9.498 13.184 1.00 64.22 C ATOM 678 CD GLN A 39 9.718 -10.445 14.365 1.00 10.44 C ATOM 679 OE1 GLN A 39 10.740 -10.853 14.918 1.00 73.41 O ATOM 680 NE2 GLN A 39 8.500 -10.799 14.760 1.00 5.51 N ATOM 0 H GLN A 39 9.599 -9.928 10.618 1.00 35.33 H new ATOM 0 HA GLN A 39 12.361 -10.602 11.110 1.00 31.30 H new ATOM 0 HB2 GLN A 39 11.933 -9.579 13.287 1.00 22.25 H new ATOM 0 HB3 GLN A 39 11.315 -8.556 12.005 1.00 22.25 H new ATOM 0 HG2 GLN A 39 9.566 -8.487 13.518 1.00 64.22 H new ATOM 0 HG3 GLN A 39 9.038 -9.773 12.451 1.00 64.22 H new ATOM 0 HE21 GLN A 39 7.680 -10.437 14.273 1.00 5.51 H new ATOM 0 HE22 GLN A 39 8.384 -11.433 15.551 1.00 5.51 H new ATOM 689 N GLU A 40 9.980 -12.564 12.094 1.00 2.52 N ATOM 690 CA GLU A 40 9.682 -13.847 12.718 1.00 21.32 C ATOM 691 C GLU A 40 10.166 -15.002 11.845 1.00 13.24 C ATOM 692 O GLU A 40 10.506 -16.074 12.347 1.00 40.54 O ATOM 693 CB GLU A 40 8.179 -13.980 12.971 1.00 12.40 C ATOM 694 CG GLU A 40 7.784 -15.296 13.619 1.00 62.21 C ATOM 695 CD GLU A 40 8.299 -15.425 15.039 1.00 11.45 C ATOM 696 OE1 GLU A 40 8.537 -14.381 15.682 1.00 54.43 O ATOM 697 OE2 GLU A 40 8.464 -16.570 15.509 1.00 75.33 O ATOM 0 H GLU A 40 9.205 -12.161 11.567 1.00 2.52 H new ATOM 0 HA GLU A 40 10.209 -13.889 13.671 1.00 21.32 H new ATOM 0 HB2 GLU A 40 7.853 -13.159 13.609 1.00 12.40 H new ATOM 0 HB3 GLU A 40 7.649 -13.878 12.024 1.00 12.40 H new ATOM 0 HG2 GLU A 40 6.698 -15.384 13.621 1.00 62.21 H new ATOM 0 HG3 GLU A 40 8.169 -16.121 13.020 1.00 62.21 H new ATOM 704 N VAL A 41 10.193 -14.775 10.536 1.00 52.02 N ATOM 705 CA VAL A 41 10.635 -15.795 9.592 1.00 12.23 C ATOM 706 C VAL A 41 12.137 -15.706 9.351 1.00 5.00 C ATOM 707 O VAL A 41 12.771 -16.682 8.948 1.00 3.25 O ATOM 708 CB VAL A 41 9.901 -15.668 8.244 1.00 41.20 C ATOM 709 CG1 VAL A 41 8.399 -15.809 8.438 1.00 60.32 C ATOM 710 CG2 VAL A 41 10.238 -14.343 7.577 1.00 4.21 C ATOM 0 H VAL A 41 9.914 -13.894 10.105 1.00 52.02 H new ATOM 0 HA VAL A 41 10.398 -16.762 10.036 1.00 12.23 H new ATOM 0 HB VAL A 41 10.236 -16.474 7.591 1.00 41.20 H new ATOM 0 HG11 VAL A 41 7.897 -15.716 7.475 1.00 60.32 H new ATOM 0 HG12 VAL A 41 8.178 -16.785 8.870 1.00 60.32 H new ATOM 0 HG13 VAL A 41 8.044 -15.027 9.109 1.00 60.32 H new ATOM 0 HG21 VAL A 41 9.711 -14.270 6.626 1.00 4.21 H new ATOM 0 HG22 VAL A 41 9.933 -13.521 8.225 1.00 4.21 H new ATOM 0 HG23 VAL A 41 11.312 -14.287 7.402 1.00 4.21 H new ATOM 720 N PHE A 42 12.703 -14.529 9.600 1.00 34.31 N ATOM 721 CA PHE A 42 14.132 -14.312 9.410 1.00 71.13 C ATOM 722 C PHE A 42 14.907 -14.644 10.682 1.00 53.53 C ATOM 723 O PHE A 42 15.939 -15.312 10.637 1.00 52.41 O ATOM 724 CB PHE A 42 14.399 -12.862 9.000 1.00 72.34 C ATOM 725 CG PHE A 42 14.209 -12.610 7.531 1.00 21.12 C ATOM 726 CD1 PHE A 42 13.264 -13.321 6.809 1.00 64.10 C ATOM 727 CD2 PHE A 42 14.976 -11.662 6.873 1.00 71.11 C ATOM 728 CE1 PHE A 42 13.087 -13.091 5.458 1.00 71.24 C ATOM 729 CE2 PHE A 42 14.803 -11.428 5.522 1.00 54.40 C ATOM 730 CZ PHE A 42 13.858 -12.144 4.813 1.00 11.22 C ATOM 0 H PHE A 42 12.193 -13.711 9.934 1.00 34.31 H new ATOM 0 HA PHE A 42 14.472 -14.976 8.615 1.00 71.13 H new ATOM 0 HB2 PHE A 42 13.735 -12.206 9.562 1.00 72.34 H new ATOM 0 HB3 PHE A 42 15.419 -12.596 9.277 1.00 72.34 H new ATOM 0 HD1 PHE A 42 12.659 -14.063 7.308 1.00 64.10 H new ATOM 0 HD2 PHE A 42 15.717 -11.100 7.422 1.00 71.11 H new ATOM 0 HE1 PHE A 42 12.346 -13.651 4.907 1.00 71.24 H new ATOM 0 HE2 PHE A 42 15.406 -10.686 5.021 1.00 54.40 H new ATOM 0 HZ PHE A 42 13.722 -11.964 3.757 1.00 11.22 H new ATOM 740 N GLY A 43 14.400 -14.170 11.816 1.00 24.04 N ATOM 741 CA GLY A 43 15.057 -14.425 13.085 1.00 21.12 C ATOM 742 C GLY A 43 15.428 -13.148 13.813 1.00 63.31 C ATOM 743 O GLY A 43 15.278 -13.054 15.031 1.00 72.04 O ATOM 0 H GLY A 43 13.547 -13.614 11.879 1.00 24.04 H new ATOM 0 HA2 GLY A 43 14.400 -15.022 13.717 1.00 21.12 H new ATOM 0 HA3 GLY A 43 15.957 -15.016 12.913 1.00 21.12 H new ATOM 747 N MET A 44 15.916 -12.164 13.066 1.00 44.34 N ATOM 748 CA MET A 44 16.311 -10.886 13.648 1.00 71.20 C ATOM 749 C MET A 44 15.096 -9.990 13.866 1.00 41.22 C ATOM 750 O MET A 44 13.955 -10.425 13.709 1.00 25.43 O ATOM 751 CB MET A 44 17.324 -10.181 12.745 1.00 44.22 C ATOM 752 CG MET A 44 16.905 -10.131 11.284 1.00 4.34 C ATOM 753 SD MET A 44 17.715 -11.395 10.286 1.00 74.22 S ATOM 754 CE MET A 44 18.542 -10.382 9.062 1.00 20.22 C ATOM 0 H MET A 44 16.048 -12.226 12.056 1.00 44.34 H new ATOM 0 HA MET A 44 16.774 -11.083 14.615 1.00 71.20 H new ATOM 0 HB2 MET A 44 17.474 -9.164 13.106 1.00 44.22 H new ATOM 0 HB3 MET A 44 18.284 -10.692 12.822 1.00 44.22 H new ATOM 0 HG2 MET A 44 15.824 -10.257 11.215 1.00 4.34 H new ATOM 0 HG3 MET A 44 17.138 -9.147 10.877 1.00 4.34 H new ATOM 0 HE1 MET A 44 19.540 -10.779 8.875 1.00 20.22 H new ATOM 0 HE2 MET A 44 17.968 -10.390 8.135 1.00 20.22 H new ATOM 0 HE3 MET A 44 18.622 -9.359 9.430 1.00 20.22 H new ATOM 764 N SER A 45 15.349 -8.736 14.228 1.00 75.01 N ATOM 765 CA SER A 45 14.275 -7.780 14.471 1.00 10.32 C ATOM 766 C SER A 45 13.960 -6.984 13.208 1.00 10.33 C ATOM 767 O SER A 45 14.837 -6.744 12.378 1.00 1.30 O ATOM 768 CB SER A 45 14.659 -6.827 15.605 1.00 31.54 C ATOM 769 OG SER A 45 14.925 -5.526 15.111 1.00 72.31 O ATOM 0 H SER A 45 16.288 -8.359 14.359 1.00 75.01 H new ATOM 0 HA SER A 45 13.384 -8.338 14.760 1.00 10.32 H new ATOM 0 HB2 SER A 45 13.852 -6.783 16.336 1.00 31.54 H new ATOM 0 HB3 SER A 45 15.538 -7.209 16.123 1.00 31.54 H new ATOM 0 HG SER A 45 15.166 -4.936 15.856 1.00 72.31 H new ATOM 775 N ILE A 46 12.702 -6.577 13.071 1.00 64.50 N ATOM 776 CA ILE A 46 12.271 -5.808 11.911 1.00 41.23 C ATOM 777 C ILE A 46 13.130 -4.561 11.728 1.00 64.45 C ATOM 778 O ILE A 46 13.345 -4.104 10.606 1.00 42.33 O ATOM 779 CB ILE A 46 10.795 -5.387 12.032 1.00 53.53 C ATOM 780 CG1 ILE A 46 10.211 -5.092 10.648 1.00 11.35 C ATOM 781 CG2 ILE A 46 10.663 -4.172 12.938 1.00 1.21 C ATOM 782 CD1 ILE A 46 10.366 -3.649 10.222 1.00 1.41 C ATOM 0 H ILE A 46 11.964 -6.767 13.749 1.00 64.50 H new ATOM 0 HA ILE A 46 12.386 -6.456 11.042 1.00 41.23 H new ATOM 0 HB ILE A 46 10.233 -6.209 12.475 1.00 53.53 H new ATOM 0 HG12 ILE A 46 10.697 -5.734 9.913 1.00 11.35 H new ATOM 0 HG13 ILE A 46 9.152 -5.351 10.647 1.00 11.35 H new ATOM 0 HG21 ILE A 46 9.614 -3.887 13.013 1.00 1.21 H new ATOM 0 HG22 ILE A 46 11.045 -4.414 13.930 1.00 1.21 H new ATOM 0 HG23 ILE A 46 11.235 -3.343 12.521 1.00 1.21 H new ATOM 0 HD11 ILE A 46 9.930 -3.513 9.232 1.00 1.41 H new ATOM 0 HD12 ILE A 46 9.856 -3.002 10.936 1.00 1.41 H new ATOM 0 HD13 ILE A 46 11.424 -3.391 10.191 1.00 1.41 H new ATOM 794 N GLU A 47 13.620 -4.019 12.838 1.00 44.43 N ATOM 795 CA GLU A 47 14.458 -2.825 12.799 1.00 74.44 C ATOM 796 C GLU A 47 15.759 -3.098 12.050 1.00 23.35 C ATOM 797 O GLU A 47 16.247 -2.250 11.304 1.00 21.31 O ATOM 798 CB GLU A 47 14.764 -2.344 14.218 1.00 11.52 C ATOM 799 CG GLU A 47 13.550 -2.330 15.132 1.00 53.24 C ATOM 800 CD GLU A 47 13.752 -1.461 16.358 1.00 20.41 C ATOM 801 OE1 GLU A 47 14.669 -1.761 17.151 1.00 0.24 O ATOM 802 OE2 GLU A 47 12.994 -0.483 16.525 1.00 60.32 O ATOM 0 H GLU A 47 13.452 -4.387 13.775 1.00 44.43 H new ATOM 0 HA GLU A 47 13.911 -2.045 12.269 1.00 74.44 H new ATOM 0 HB2 GLU A 47 15.529 -2.987 14.654 1.00 11.52 H new ATOM 0 HB3 GLU A 47 15.183 -1.339 14.169 1.00 11.52 H new ATOM 0 HG2 GLU A 47 12.685 -1.970 14.575 1.00 53.24 H new ATOM 0 HG3 GLU A 47 13.325 -3.349 15.447 1.00 53.24 H new ATOM 809 N GLU A 48 16.316 -4.288 12.257 1.00 11.34 N ATOM 810 CA GLU A 48 17.561 -4.672 11.604 1.00 45.43 C ATOM 811 C GLU A 48 17.432 -4.575 10.086 1.00 11.23 C ATOM 812 O GLU A 48 18.339 -4.098 9.404 1.00 52.32 O ATOM 813 CB GLU A 48 17.955 -6.095 12.003 1.00 23.32 C ATOM 814 CG GLU A 48 19.439 -6.382 11.849 1.00 63.33 C ATOM 815 CD GLU A 48 20.252 -5.911 13.039 1.00 13.12 C ATOM 816 OE1 GLU A 48 20.541 -4.698 13.116 1.00 24.42 O ATOM 817 OE2 GLU A 48 20.598 -6.753 13.893 1.00 32.52 O ATOM 0 H GLU A 48 15.924 -5.002 12.872 1.00 11.34 H new ATOM 0 HA GLU A 48 18.340 -3.982 11.930 1.00 45.43 H new ATOM 0 HB2 GLU A 48 17.666 -6.265 13.040 1.00 23.32 H new ATOM 0 HB3 GLU A 48 17.392 -6.803 11.395 1.00 23.32 H new ATOM 0 HG2 GLU A 48 19.586 -7.454 11.715 1.00 63.33 H new ATOM 0 HG3 GLU A 48 19.808 -5.895 10.946 1.00 63.33 H new ATOM 824 N PHE A 49 16.298 -5.032 9.565 1.00 41.41 N ATOM 825 CA PHE A 49 16.049 -4.999 8.128 1.00 4.54 C ATOM 826 C PHE A 49 16.158 -3.575 7.590 1.00 15.34 C ATOM 827 O PHE A 49 16.926 -3.305 6.667 1.00 31.30 O ATOM 828 CB PHE A 49 14.665 -5.570 7.816 1.00 71.11 C ATOM 829 CG PHE A 49 14.435 -6.936 8.396 1.00 24.40 C ATOM 830 CD1 PHE A 49 15.445 -7.885 8.389 1.00 4.11 C ATOM 831 CD2 PHE A 49 13.210 -7.272 8.949 1.00 41.02 C ATOM 832 CE1 PHE A 49 15.237 -9.143 8.922 1.00 75.15 C ATOM 833 CE2 PHE A 49 12.995 -8.529 9.483 1.00 5.52 C ATOM 834 CZ PHE A 49 14.011 -9.465 9.470 1.00 15.14 C ATOM 0 H PHE A 49 15.537 -5.429 10.116 1.00 41.41 H new ATOM 0 HA PHE A 49 16.806 -5.612 7.639 1.00 4.54 H new ATOM 0 HB2 PHE A 49 13.905 -4.889 8.199 1.00 71.11 H new ATOM 0 HB3 PHE A 49 14.535 -5.617 6.735 1.00 71.11 H new ATOM 0 HD1 PHE A 49 16.406 -7.639 7.962 1.00 4.11 H new ATOM 0 HD2 PHE A 49 12.413 -6.543 8.963 1.00 41.02 H new ATOM 0 HE1 PHE A 49 16.032 -9.873 8.910 1.00 75.15 H new ATOM 0 HE2 PHE A 49 12.035 -8.779 9.909 1.00 5.52 H new ATOM 0 HZ PHE A 49 13.847 -10.447 9.888 1.00 15.14 H new ATOM 844 N ASP A 50 15.382 -2.668 8.174 1.00 1.22 N ATOM 845 CA ASP A 50 15.390 -1.271 7.755 1.00 61.12 C ATOM 846 C ASP A 50 16.800 -0.693 7.818 1.00 44.11 C ATOM 847 O ASP A 50 17.196 0.099 6.962 1.00 11.13 O ATOM 848 CB ASP A 50 14.448 -0.447 8.634 1.00 71.12 C ATOM 849 CG ASP A 50 13.920 0.783 7.922 1.00 2.22 C ATOM 850 OD1 ASP A 50 14.567 1.231 6.952 1.00 3.44 O ATOM 851 OD2 ASP A 50 12.860 1.297 8.334 1.00 13.34 O ATOM 0 H ASP A 50 14.740 -2.875 8.939 1.00 1.22 H new ATOM 0 HA ASP A 50 15.044 -1.225 6.723 1.00 61.12 H new ATOM 0 HB2 ASP A 50 13.610 -1.070 8.947 1.00 71.12 H new ATOM 0 HB3 ASP A 50 14.974 -0.142 9.539 1.00 71.12 H new ATOM 856 N ARG A 51 17.554 -1.093 8.837 1.00 74.20 N ATOM 857 CA ARG A 51 18.919 -0.613 9.013 1.00 72.01 C ATOM 858 C ARG A 51 19.861 -1.275 8.012 1.00 23.43 C ATOM 859 O ARG A 51 20.909 -0.724 7.671 1.00 72.40 O ATOM 860 CB ARG A 51 19.398 -0.887 10.440 1.00 44.54 C ATOM 861 CG ARG A 51 19.120 0.254 11.405 1.00 41.11 C ATOM 862 CD ARG A 51 17.794 0.064 12.124 1.00 54.32 C ATOM 863 NE ARG A 51 17.618 1.023 13.211 1.00 4.33 N ATOM 864 CZ ARG A 51 18.155 0.873 14.417 1.00 2.21 C ATOM 865 NH1 ARG A 51 18.898 -0.191 14.688 1.00 33.30 N ATOM 866 NH2 ARG A 51 17.950 1.790 15.355 1.00 63.54 N ATOM 0 H ARG A 51 17.242 -1.749 9.553 1.00 74.20 H new ATOM 0 HA ARG A 51 18.926 0.462 8.835 1.00 72.01 H new ATOM 0 HB2 ARG A 51 18.913 -1.791 10.810 1.00 44.54 H new ATOM 0 HB3 ARG A 51 20.470 -1.084 10.423 1.00 44.54 H new ATOM 0 HG2 ARG A 51 19.926 0.318 12.136 1.00 41.11 H new ATOM 0 HG3 ARG A 51 19.108 1.198 10.860 1.00 41.11 H new ATOM 0 HD2 ARG A 51 16.977 0.171 11.411 1.00 54.32 H new ATOM 0 HD3 ARG A 51 17.740 -0.949 12.522 1.00 54.32 H new ATOM 0 HE ARG A 51 17.052 1.853 13.035 1.00 4.33 H new ATOM 0 HH11 ARG A 51 19.059 -0.897 13.970 1.00 33.30 H new ATOM 0 HH12 ARG A 51 19.309 -0.303 15.615 1.00 33.30 H new ATOM 0 HH21 ARG A 51 17.380 2.611 15.150 1.00 63.54 H new ATOM 0 HH22 ARG A 51 18.363 1.674 16.281 1.00 63.54 H new ATOM 880 N LEU A 52 19.483 -2.460 7.546 1.00 32.41 N ATOM 881 CA LEU A 52 20.294 -3.199 6.585 1.00 41.04 C ATOM 882 C LEU A 52 20.096 -2.655 5.173 1.00 4.35 C ATOM 883 O LEU A 52 19.258 -1.783 4.946 1.00 61.14 O ATOM 884 CB LEU A 52 19.939 -4.686 6.624 1.00 22.42 C ATOM 885 CG LEU A 52 20.540 -5.489 7.779 1.00 72.23 C ATOM 886 CD1 LEU A 52 19.905 -6.869 7.857 1.00 54.22 C ATOM 887 CD2 LEU A 52 22.049 -5.603 7.621 1.00 60.23 C ATOM 0 H LEU A 52 18.620 -2.930 7.818 1.00 32.41 H new ATOM 0 HA LEU A 52 21.341 -3.074 6.860 1.00 41.04 H new ATOM 0 HB2 LEU A 52 18.854 -4.779 6.669 1.00 22.42 H new ATOM 0 HB3 LEU A 52 20.259 -5.140 5.686 1.00 22.42 H new ATOM 0 HG LEU A 52 20.331 -4.962 8.710 1.00 72.23 H new ATOM 0 HD11 LEU A 52 20.345 -7.426 8.684 1.00 54.22 H new ATOM 0 HD12 LEU A 52 18.832 -6.767 8.018 1.00 54.22 H new ATOM 0 HD13 LEU A 52 20.083 -7.404 6.924 1.00 54.22 H new ATOM 0 HD21 LEU A 52 22.459 -6.177 8.452 1.00 60.23 H new ATOM 0 HD22 LEU A 52 22.280 -6.107 6.682 1.00 60.23 H new ATOM 0 HD23 LEU A 52 22.491 -4.606 7.616 1.00 60.23 H new ATOM 899 N ALA A 53 20.873 -3.177 4.229 1.00 15.33 N ATOM 900 CA ALA A 53 20.780 -2.746 2.840 1.00 73.32 C ATOM 901 C ALA A 53 19.940 -3.719 2.019 1.00 52.22 C ATOM 902 O ALA A 53 19.562 -4.788 2.500 1.00 71.12 O ATOM 903 CB ALA A 53 22.170 -2.607 2.237 1.00 54.24 C ATOM 0 H ALA A 53 21.573 -3.898 4.401 1.00 15.33 H new ATOM 0 HA ALA A 53 20.288 -1.774 2.819 1.00 73.32 H new ATOM 0 HB1 ALA A 53 22.086 -2.285 1.199 1.00 54.24 H new ATOM 0 HB2 ALA A 53 22.739 -1.868 2.801 1.00 54.24 H new ATOM 0 HB3 ALA A 53 22.682 -3.568 2.278 1.00 54.24 H new ATOM 909 N LEU A 54 19.650 -3.342 0.779 1.00 50.35 N ATOM 910 CA LEU A 54 18.853 -4.181 -0.110 1.00 3.20 C ATOM 911 C LEU A 54 19.518 -5.538 -0.318 1.00 34.02 C ATOM 912 O LEU A 54 18.914 -6.581 -0.066 1.00 13.34 O ATOM 913 CB LEU A 54 18.655 -3.486 -1.458 1.00 53.30 C ATOM 914 CG LEU A 54 17.313 -3.732 -2.149 1.00 63.53 C ATOM 915 CD1 LEU A 54 17.469 -3.654 -3.660 1.00 60.41 C ATOM 916 CD2 LEU A 54 16.742 -5.082 -1.739 1.00 64.12 C ATOM 0 H LEU A 54 19.955 -2.461 0.366 1.00 50.35 H new ATOM 0 HA LEU A 54 17.881 -4.340 0.356 1.00 3.20 H new ATOM 0 HB2 LEU A 54 18.774 -2.412 -1.312 1.00 53.30 H new ATOM 0 HB3 LEU A 54 19.451 -3.807 -2.130 1.00 53.30 H new ATOM 0 HG LEU A 54 16.616 -2.955 -1.835 1.00 63.53 H new ATOM 0 HD11 LEU A 54 16.504 -3.832 -4.135 1.00 60.41 H new ATOM 0 HD12 LEU A 54 17.834 -2.665 -3.938 1.00 60.41 H new ATOM 0 HD13 LEU A 54 18.181 -4.410 -3.992 1.00 60.41 H new ATOM 0 HD21 LEU A 54 15.787 -5.240 -2.240 1.00 64.12 H new ATOM 0 HD22 LEU A 54 17.437 -5.872 -2.023 1.00 64.12 H new ATOM 0 HD23 LEU A 54 16.593 -5.101 -0.659 1.00 64.12 H new ATOM 928 N TRP A 55 20.764 -5.517 -0.777 1.00 14.42 N ATOM 929 CA TRP A 55 21.511 -6.746 -1.016 1.00 70.12 C ATOM 930 C TRP A 55 21.320 -7.732 0.131 1.00 13.43 C ATOM 931 O TRP A 55 21.172 -8.934 -0.088 1.00 21.23 O ATOM 932 CB TRP A 55 22.998 -6.436 -1.196 1.00 70.44 C ATOM 933 CG TRP A 55 23.676 -6.020 0.074 1.00 41.23 C ATOM 934 CD1 TRP A 55 23.818 -4.747 0.547 1.00 4.23 C ATOM 935 CD2 TRP A 55 24.305 -6.879 1.031 1.00 44.23 C ATOM 936 NE1 TRP A 55 24.498 -4.763 1.741 1.00 4.22 N ATOM 937 CE2 TRP A 55 24.807 -6.059 2.060 1.00 45.40 C ATOM 938 CE3 TRP A 55 24.492 -8.261 1.120 1.00 52.14 C ATOM 939 CZ2 TRP A 55 25.484 -6.577 3.161 1.00 13.43 C ATOM 940 CZ3 TRP A 55 25.163 -8.773 2.213 1.00 24.51 C ATOM 941 CH2 TRP A 55 25.652 -7.933 3.222 1.00 21.34 C ATOM 0 H TRP A 55 21.278 -4.662 -0.991 1.00 14.42 H new ATOM 0 HA TRP A 55 21.129 -7.202 -1.929 1.00 70.12 H new ATOM 0 HB2 TRP A 55 23.500 -7.317 -1.595 1.00 70.44 H new ATOM 0 HB3 TRP A 55 23.110 -5.643 -1.936 1.00 70.44 H new ATOM 0 HD1 TRP A 55 23.450 -3.859 0.055 1.00 4.23 H new ATOM 0 HE1 TRP A 55 24.734 -3.943 2.299 1.00 4.22 H new ATOM 0 HE3 TRP A 55 24.118 -8.917 0.348 1.00 52.14 H new ATOM 0 HZ2 TRP A 55 25.863 -5.931 3.939 1.00 13.43 H new ATOM 0 HZ3 TRP A 55 25.313 -9.840 2.291 1.00 24.51 H new ATOM 0 HH2 TRP A 55 26.172 -8.365 4.065 1.00 21.34 H new ATOM 952 N LYS A 56 21.323 -7.215 1.356 1.00 71.44 N ATOM 953 CA LYS A 56 21.148 -8.050 2.539 1.00 41.44 C ATOM 954 C LYS A 56 19.718 -8.573 2.629 1.00 0.53 C ATOM 955 O LYS A 56 19.495 -9.762 2.857 1.00 3.45 O ATOM 956 CB LYS A 56 21.494 -7.258 3.802 1.00 51.12 C ATOM 957 CG LYS A 56 21.632 -8.123 5.043 1.00 51.31 C ATOM 958 CD LYS A 56 23.009 -8.759 5.129 1.00 71.45 C ATOM 959 CE LYS A 56 23.232 -9.427 6.477 1.00 14.52 C ATOM 960 NZ LYS A 56 24.669 -9.425 6.866 1.00 1.01 N ATOM 0 H LYS A 56 21.445 -6.222 1.555 1.00 71.44 H new ATOM 0 HA LYS A 56 21.823 -8.902 2.456 1.00 41.44 H new ATOM 0 HB2 LYS A 56 22.428 -6.720 3.639 1.00 51.12 H new ATOM 0 HB3 LYS A 56 20.721 -6.510 3.975 1.00 51.12 H new ATOM 0 HG2 LYS A 56 21.454 -7.517 5.931 1.00 51.31 H new ATOM 0 HG3 LYS A 56 20.870 -8.903 5.031 1.00 51.31 H new ATOM 0 HD2 LYS A 56 23.121 -9.496 4.334 1.00 71.45 H new ATOM 0 HD3 LYS A 56 23.773 -7.998 4.968 1.00 71.45 H new ATOM 0 HE2 LYS A 56 22.649 -8.910 7.239 1.00 14.52 H new ATOM 0 HE3 LYS A 56 22.868 -10.454 6.438 1.00 14.52 H new ATOM 0 HZ1 LYS A 56 24.779 -9.889 7.790 1.00 1.01 H new ATOM 0 HZ2 LYS A 56 25.223 -9.940 6.152 1.00 1.01 H new ATOM 0 HZ3 LYS A 56 25.010 -8.445 6.928 1.00 1.01 H new ATOM 974 N ARG A 57 18.753 -7.677 2.448 1.00 72.23 N ATOM 975 CA ARG A 57 17.344 -8.049 2.509 1.00 44.02 C ATOM 976 C ARG A 57 17.029 -9.150 1.501 1.00 74.12 C ATOM 977 O ARG A 57 16.244 -10.055 1.781 1.00 24.42 O ATOM 978 CB ARG A 57 16.461 -6.829 2.241 1.00 31.23 C ATOM 979 CG ARG A 57 16.875 -5.594 3.024 1.00 42.33 C ATOM 980 CD ARG A 57 15.773 -5.136 3.966 1.00 2.33 C ATOM 981 NE ARG A 57 14.542 -4.809 3.251 1.00 3.25 N ATOM 982 CZ ARG A 57 13.607 -3.998 3.732 1.00 14.32 C ATOM 983 NH1 ARG A 57 13.761 -3.434 4.922 1.00 0.22 N ATOM 984 NH2 ARG A 57 12.514 -3.749 3.022 1.00 52.11 N ATOM 0 H ARG A 57 18.921 -6.689 2.258 1.00 72.23 H new ATOM 0 HA ARG A 57 17.136 -8.426 3.510 1.00 44.02 H new ATOM 0 HB2 ARG A 57 16.487 -6.599 1.176 1.00 31.23 H new ATOM 0 HB3 ARG A 57 15.429 -7.077 2.489 1.00 31.23 H new ATOM 0 HG2 ARG A 57 17.777 -5.810 3.596 1.00 42.33 H new ATOM 0 HG3 ARG A 57 17.121 -4.789 2.332 1.00 42.33 H new ATOM 0 HD2 ARG A 57 15.571 -5.920 4.696 1.00 2.33 H new ATOM 0 HD3 ARG A 57 16.112 -4.262 4.523 1.00 2.33 H new ATOM 0 HE ARG A 57 14.392 -5.226 2.332 1.00 3.25 H new ATOM 0 HH11 ARG A 57 14.600 -3.623 5.471 1.00 0.22 H new ATOM 0 HH12 ARG A 57 13.041 -2.812 5.288 1.00 0.22 H new ATOM 0 HH21 ARG A 57 12.392 -4.181 2.106 1.00 52.11 H new ATOM 0 HH22 ARG A 57 11.796 -3.126 3.392 1.00 52.11 H new ATOM 998 N ASN A 58 17.645 -9.065 0.326 1.00 11.53 N ATOM 999 CA ASN A 58 17.429 -10.053 -0.724 1.00 54.11 C ATOM 1000 C ASN A 58 17.994 -11.410 -0.319 1.00 25.55 C ATOM 1001 O ASN A 58 17.299 -12.425 -0.371 1.00 20.04 O ATOM 1002 CB ASN A 58 18.075 -9.588 -2.031 1.00 74.50 C ATOM 1003 CG ASN A 58 17.135 -8.748 -2.874 1.00 12.34 C ATOM 1004 OD1 ASN A 58 15.971 -9.101 -3.065 1.00 11.53 O ATOM 1005 ND2 ASN A 58 17.638 -7.629 -3.382 1.00 55.14 N ATOM 0 H ASN A 58 18.298 -8.322 0.078 1.00 11.53 H new ATOM 0 HA ASN A 58 16.355 -10.158 -0.874 1.00 54.11 H new ATOM 0 HB2 ASN A 58 18.971 -9.009 -1.805 1.00 74.50 H new ATOM 0 HB3 ASN A 58 18.394 -10.458 -2.605 1.00 74.50 H new ATOM 0 HD21 ASN A 58 17.054 -7.022 -3.957 1.00 55.14 H new ATOM 0 HD22 ASN A 58 18.609 -7.376 -3.197 1.00 55.14 H new ATOM 1012 N ASP A 59 19.260 -11.421 0.086 1.00 52.22 N ATOM 1013 CA ASP A 59 19.919 -12.653 0.502 1.00 4.03 C ATOM 1014 C ASP A 59 19.120 -13.354 1.596 1.00 71.52 C ATOM 1015 O ASP A 59 18.812 -14.543 1.490 1.00 44.51 O ATOM 1016 CB ASP A 59 21.335 -12.356 0.999 1.00 1.01 C ATOM 1017 CG ASP A 59 22.102 -13.616 1.349 1.00 10.04 C ATOM 1018 OD1 ASP A 59 22.201 -14.510 0.483 1.00 14.03 O ATOM 1019 OD2 ASP A 59 22.603 -13.708 2.490 1.00 72.42 O ATOM 0 H ASP A 59 19.850 -10.590 0.135 1.00 52.22 H new ATOM 0 HA ASP A 59 19.976 -13.315 -0.362 1.00 4.03 H new ATOM 0 HB2 ASP A 59 21.878 -11.805 0.231 1.00 1.01 H new ATOM 0 HB3 ASP A 59 21.281 -11.711 1.876 1.00 1.01 H new ATOM 1024 N LEU A 60 18.787 -12.613 2.646 1.00 11.43 N ATOM 1025 CA LEU A 60 18.024 -13.163 3.761 1.00 73.41 C ATOM 1026 C LEU A 60 16.688 -13.724 3.282 1.00 25.31 C ATOM 1027 O LEU A 60 16.231 -14.762 3.761 1.00 13.13 O ATOM 1028 CB LEU A 60 17.787 -12.088 4.823 1.00 32.41 C ATOM 1029 CG LEU A 60 19.036 -11.385 5.357 1.00 75.35 C ATOM 1030 CD1 LEU A 60 18.700 -9.974 5.812 1.00 13.22 C ATOM 1031 CD2 LEU A 60 19.651 -12.183 6.497 1.00 70.54 C ATOM 0 H LEU A 60 19.033 -11.629 2.749 1.00 11.43 H new ATOM 0 HA LEU A 60 18.603 -13.976 4.199 1.00 73.41 H new ATOM 0 HB2 LEU A 60 17.121 -11.334 4.405 1.00 32.41 H new ATOM 0 HB3 LEU A 60 17.264 -12.545 5.663 1.00 32.41 H new ATOM 0 HG LEU A 60 19.766 -11.320 4.550 1.00 75.35 H new ATOM 0 HD11 LEU A 60 19.601 -9.489 6.189 1.00 13.22 H new ATOM 0 HD12 LEU A 60 18.306 -9.404 4.970 1.00 13.22 H new ATOM 0 HD13 LEU A 60 17.952 -10.015 6.604 1.00 13.22 H new ATOM 0 HD21 LEU A 60 20.539 -11.668 6.864 1.00 70.54 H new ATOM 0 HD22 LEU A 60 18.927 -12.280 7.306 1.00 70.54 H new ATOM 0 HD23 LEU A 60 19.929 -13.174 6.139 1.00 70.54 H new ATOM 1043 N LYS A 61 16.069 -13.032 2.332 1.00 34.51 N ATOM 1044 CA LYS A 61 14.787 -13.462 1.784 1.00 23.15 C ATOM 1045 C LYS A 61 14.886 -14.872 1.210 1.00 3.40 C ATOM 1046 O LYS A 61 14.129 -15.764 1.593 1.00 50.14 O ATOM 1047 CB LYS A 61 14.321 -12.489 0.699 1.00 22.11 C ATOM 1048 CG LYS A 61 13.389 -11.406 1.213 1.00 75.01 C ATOM 1049 CD LYS A 61 12.587 -10.779 0.085 1.00 72.25 C ATOM 1050 CE LYS A 61 13.336 -9.619 -0.554 1.00 32.42 C ATOM 1051 NZ LYS A 61 12.441 -8.776 -1.394 1.00 34.15 N ATOM 0 H LYS A 61 16.434 -12.171 1.925 1.00 34.51 H new ATOM 0 HA LYS A 61 14.058 -13.469 2.594 1.00 23.15 H new ATOM 0 HB2 LYS A 61 15.194 -12.020 0.244 1.00 22.11 H new ATOM 0 HB3 LYS A 61 13.815 -13.050 -0.087 1.00 22.11 H new ATOM 0 HG2 LYS A 61 12.709 -11.830 1.952 1.00 75.01 H new ATOM 0 HG3 LYS A 61 13.970 -10.635 1.720 1.00 75.01 H new ATOM 0 HD2 LYS A 61 12.369 -11.533 -0.671 1.00 72.25 H new ATOM 0 HD3 LYS A 61 11.630 -10.428 0.470 1.00 72.25 H new ATOM 0 HE2 LYS A 61 13.787 -9.005 0.225 1.00 32.42 H new ATOM 0 HE3 LYS A 61 14.150 -10.006 -1.166 1.00 32.42 H new ATOM 0 HZ1 LYS A 61 12.993 -8.342 -2.161 1.00 34.15 H new ATOM 0 HZ2 LYS A 61 11.688 -9.367 -1.801 1.00 34.15 H new ATOM 0 HZ3 LYS A 61 12.016 -8.030 -0.808 1.00 34.15 H new ATOM 1065 N LYS A 62 15.825 -15.066 0.290 1.00 24.35 N ATOM 1066 CA LYS A 62 16.026 -16.368 -0.335 1.00 41.23 C ATOM 1067 C LYS A 62 16.240 -17.451 0.718 1.00 44.53 C ATOM 1068 O LYS A 62 15.704 -18.553 0.607 1.00 23.43 O ATOM 1069 CB LYS A 62 17.225 -16.321 -1.285 1.00 3.31 C ATOM 1070 CG LYS A 62 17.065 -15.321 -2.417 1.00 65.13 C ATOM 1071 CD LYS A 62 18.278 -14.412 -2.534 1.00 74.31 C ATOM 1072 CE LYS A 62 18.057 -13.319 -3.568 1.00 14.42 C ATOM 1073 NZ LYS A 62 19.273 -12.481 -3.758 1.00 63.20 N ATOM 0 H LYS A 62 16.459 -14.338 -0.039 1.00 24.35 H new ATOM 0 HA LYS A 62 15.129 -16.612 -0.904 1.00 41.23 H new ATOM 0 HB2 LYS A 62 18.120 -16.072 -0.715 1.00 3.31 H new ATOM 0 HB3 LYS A 62 17.382 -17.313 -1.708 1.00 3.31 H new ATOM 0 HG2 LYS A 62 16.917 -15.854 -3.356 1.00 65.13 H new ATOM 0 HG3 LYS A 62 16.173 -14.718 -2.248 1.00 65.13 H new ATOM 0 HD2 LYS A 62 18.490 -13.960 -1.565 1.00 74.31 H new ATOM 0 HD3 LYS A 62 19.152 -15.003 -2.809 1.00 74.31 H new ATOM 0 HE2 LYS A 62 17.775 -13.771 -4.519 1.00 14.42 H new ATOM 0 HE3 LYS A 62 17.225 -12.687 -3.256 1.00 14.42 H new ATOM 0 HZ1 LYS A 62 19.032 -11.642 -4.323 1.00 63.20 H new ATOM 0 HZ2 LYS A 62 19.636 -12.181 -2.831 1.00 63.20 H new ATOM 0 HZ3 LYS A 62 20.002 -13.034 -4.253 1.00 63.20 H new ATOM 1087 N LYS A 63 17.026 -17.128 1.740 1.00 62.45 N ATOM 1088 CA LYS A 63 17.309 -18.072 2.815 1.00 45.25 C ATOM 1089 C LYS A 63 16.041 -18.409 3.591 1.00 14.21 C ATOM 1090 O LYS A 63 15.899 -19.512 4.119 1.00 42.52 O ATOM 1091 CB LYS A 63 18.363 -17.495 3.763 1.00 15.51 C ATOM 1092 CG LYS A 63 18.751 -18.439 4.887 1.00 4.14 C ATOM 1093 CD LYS A 63 19.335 -17.686 6.071 1.00 35.15 C ATOM 1094 CE LYS A 63 18.243 -17.164 6.992 1.00 15.43 C ATOM 1095 NZ LYS A 63 17.821 -15.784 6.625 1.00 15.41 N ATOM 0 H LYS A 63 17.478 -16.220 1.846 1.00 62.45 H new ATOM 0 HA LYS A 63 17.694 -18.989 2.368 1.00 45.25 H new ATOM 0 HB2 LYS A 63 19.254 -17.240 3.190 1.00 15.51 H new ATOM 0 HB3 LYS A 63 17.984 -16.568 4.193 1.00 15.51 H new ATOM 0 HG2 LYS A 63 17.875 -19.002 5.209 1.00 4.14 H new ATOM 0 HG3 LYS A 63 19.479 -19.163 4.520 1.00 4.14 H new ATOM 0 HD2 LYS A 63 20.000 -18.344 6.630 1.00 35.15 H new ATOM 0 HD3 LYS A 63 19.939 -16.853 5.712 1.00 35.15 H new ATOM 0 HE2 LYS A 63 17.382 -17.831 6.949 1.00 15.43 H new ATOM 0 HE3 LYS A 63 18.601 -17.173 8.021 1.00 15.43 H new ATOM 0 HZ1 LYS A 63 17.731 -15.208 7.486 1.00 15.41 H new ATOM 0 HZ2 LYS A 63 18.532 -15.359 5.997 1.00 15.41 H new ATOM 0 HZ3 LYS A 63 16.904 -15.820 6.135 1.00 15.41 H new ATOM 1109 N ALA A 64 15.120 -17.452 3.656 1.00 61.45 N ATOM 1110 CA ALA A 64 13.862 -17.650 4.364 1.00 12.34 C ATOM 1111 C ALA A 64 12.848 -18.380 3.490 1.00 30.13 C ATOM 1112 O ALA A 64 11.684 -18.530 3.865 1.00 40.03 O ATOM 1113 CB ALA A 64 13.299 -16.313 4.824 1.00 45.44 C ATOM 0 H ALA A 64 15.222 -16.532 3.227 1.00 61.45 H new ATOM 0 HA ALA A 64 14.060 -18.269 5.239 1.00 12.34 H new ATOM 0 HB1 ALA A 64 12.359 -16.476 5.351 1.00 45.44 H new ATOM 0 HB2 ALA A 64 14.011 -15.829 5.493 1.00 45.44 H new ATOM 0 HB3 ALA A 64 13.123 -15.675 3.958 1.00 45.44 H new ATOM 1119 N LEU A 65 13.296 -18.832 2.324 1.00 21.14 N ATOM 1120 CA LEU A 65 12.427 -19.547 1.396 1.00 42.12 C ATOM 1121 C LEU A 65 11.398 -18.605 0.778 1.00 24.21 C ATOM 1122 O LEU A 65 10.285 -19.015 0.449 1.00 74.23 O ATOM 1123 CB LEU A 65 11.717 -20.697 2.113 1.00 3.50 C ATOM 1124 CG LEU A 65 12.573 -21.515 3.080 1.00 4.12 C ATOM 1125 CD1 LEU A 65 11.692 -22.325 4.019 1.00 44.42 C ATOM 1126 CD2 LEU A 65 13.520 -22.428 2.314 1.00 55.43 C ATOM 0 H LEU A 65 14.256 -18.716 1.999 1.00 21.14 H new ATOM 0 HA LEU A 65 13.047 -19.953 0.597 1.00 42.12 H new ATOM 0 HB2 LEU A 65 10.871 -20.287 2.665 1.00 3.50 H new ATOM 0 HB3 LEU A 65 11.309 -21.372 1.360 1.00 3.50 H new ATOM 0 HG LEU A 65 13.169 -20.826 3.678 1.00 4.12 H new ATOM 0 HD11 LEU A 65 12.319 -22.901 4.700 1.00 44.42 H new ATOM 0 HD12 LEU A 65 11.056 -21.651 4.593 1.00 44.42 H new ATOM 0 HD13 LEU A 65 11.069 -23.004 3.438 1.00 44.42 H new ATOM 0 HD21 LEU A 65 14.121 -23.002 3.019 1.00 55.43 H new ATOM 0 HD22 LEU A 65 12.943 -23.110 1.690 1.00 55.43 H new ATOM 0 HD23 LEU A 65 14.175 -21.826 1.684 1.00 55.43 H new ATOM 1138 N LEU A 66 11.779 -17.342 0.622 1.00 61.22 N ATOM 1139 CA LEU A 66 10.890 -16.342 0.041 1.00 45.40 C ATOM 1140 C LEU A 66 11.054 -16.283 -1.474 1.00 54.45 C ATOM 1141 O LEU A 66 10.101 -16.001 -2.201 1.00 53.24 O ATOM 1142 CB LEU A 66 11.171 -14.967 0.650 1.00 45.44 C ATOM 1143 CG LEU A 66 10.244 -14.533 1.785 1.00 12.11 C ATOM 1144 CD1 LEU A 66 10.958 -13.567 2.718 1.00 15.00 C ATOM 1145 CD2 LEU A 66 8.977 -13.901 1.227 1.00 2.30 C ATOM 0 H LEU A 66 12.697 -16.986 0.889 1.00 61.22 H new ATOM 0 HA LEU A 66 9.863 -16.629 0.266 1.00 45.40 H new ATOM 0 HB2 LEU A 66 12.196 -14.959 1.022 1.00 45.44 H new ATOM 0 HB3 LEU A 66 11.114 -14.222 -0.144 1.00 45.44 H new ATOM 0 HG LEU A 66 9.963 -15.417 2.357 1.00 12.11 H new ATOM 0 HD11 LEU A 66 10.282 -13.269 3.520 1.00 15.00 H new ATOM 0 HD12 LEU A 66 11.835 -14.054 3.145 1.00 15.00 H new ATOM 0 HD13 LEU A 66 11.269 -12.684 2.159 1.00 15.00 H new ATOM 0 HD21 LEU A 66 8.329 -13.598 2.049 1.00 2.30 H new ATOM 0 HD22 LEU A 66 9.239 -13.027 0.630 1.00 2.30 H new ATOM 0 HD23 LEU A 66 8.455 -14.625 0.601 1.00 2.30 H new ATOM 1157 N PHE A 67 12.267 -16.552 -1.945 1.00 31.23 N ATOM 1158 CA PHE A 67 12.555 -16.531 -3.374 1.00 71.01 C ATOM 1159 C PHE A 67 12.807 -17.941 -3.899 1.00 74.51 C ATOM 1160 O PHE A 67 13.470 -18.747 -3.248 1.00 31.34 O ATOM 1161 CB PHE A 67 13.769 -15.645 -3.658 1.00 44.31 C ATOM 1162 CG PHE A 67 13.498 -14.179 -3.472 1.00 65.13 C ATOM 1163 CD1 PHE A 67 12.210 -13.723 -3.243 1.00 45.34 C ATOM 1164 CD2 PHE A 67 14.532 -13.258 -3.527 1.00 51.31 C ATOM 1165 CE1 PHE A 67 11.958 -12.375 -3.072 1.00 13.34 C ATOM 1166 CE2 PHE A 67 14.285 -11.909 -3.356 1.00 3.34 C ATOM 1167 CZ PHE A 67 12.997 -11.466 -3.129 1.00 34.52 C ATOM 0 H PHE A 67 13.067 -16.787 -1.357 1.00 31.23 H new ATOM 0 HA PHE A 67 11.686 -16.121 -3.888 1.00 71.01 H new ATOM 0 HB2 PHE A 67 14.587 -15.941 -3.001 1.00 44.31 H new ATOM 0 HB3 PHE A 67 14.103 -15.818 -4.681 1.00 44.31 H new ATOM 0 HD1 PHE A 67 11.394 -14.429 -3.198 1.00 45.34 H new ATOM 0 HD2 PHE A 67 15.541 -13.598 -3.705 1.00 51.31 H new ATOM 0 HE1 PHE A 67 10.949 -12.032 -2.894 1.00 13.34 H new ATOM 0 HE2 PHE A 67 15.100 -11.201 -3.400 1.00 3.34 H new ATOM 0 HZ PHE A 67 12.802 -10.412 -2.996 1.00 34.52 H new