USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 504 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 27 HIS : no HD1:sc= 0.108 X(o=0.22,f=-0.12) USER MOD Set 1.2: A 28 CYS SG : rot 1:sc= 0.114 USER MOD Single : A 1 SER N :NH3+ 157:sc= 0.0369 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 6 LYS NZ :NH3+ -118:sc= 0.26 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -150:sc= -0.293 USER MOD Single : A 15 THR OG1 : rot 131:sc= 0.367 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0932 USER MOD Single : A 18 GLN : amide:sc= 0.528 K(o=0.53,f=-4.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -170:sc= 0.318 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.17 K(o=1.2,f=-0.018) USER MOD Single : A 42 HIS : no HD1:sc= -0.0199 X(o=-0.02,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.949 K(o=0.95,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= -0.0639 (180deg=-0.0649) USER MOD Single : A 69 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.053) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.930 4.361 -17.298 1.00 5.44 N ATOM 2 CA SER A 1 5.317 4.467 -15.888 1.00 3.44 C ATOM 3 C SER A 1 4.231 3.861 -15.006 1.00 12.34 C ATOM 4 O SER A 1 3.101 4.345 -15.038 1.00 13.22 O ATOM 5 CB SER A 1 5.535 5.936 -15.527 1.00 32.32 C ATOM 6 OG SER A 1 6.468 6.517 -16.416 1.00 51.04 O ATOM 0 H1 SER A 1 5.435 5.082 -17.852 1.00 5.44 H new ATOM 0 H2 SER A 1 5.175 3.416 -17.655 1.00 5.44 H new ATOM 0 H3 SER A 1 3.905 4.510 -17.389 1.00 5.44 H new ATOM 0 HA SER A 1 6.245 3.920 -15.724 1.00 3.44 H new ATOM 0 HB2 SER A 1 4.589 6.475 -15.575 1.00 32.32 H new ATOM 0 HB3 SER A 1 5.897 6.018 -14.502 1.00 32.32 H new ATOM 0 HG SER A 1 6.602 7.459 -16.180 1.00 51.04 H new ATOM 11 N ALA A 2 4.555 2.834 -14.213 1.00 31.44 N ATOM 12 CA ALA A 2 3.683 2.316 -13.162 1.00 51.14 C ATOM 13 C ALA A 2 4.538 1.931 -11.943 1.00 3.10 C ATOM 14 O ALA A 2 4.766 0.744 -11.696 1.00 23.22 O ATOM 15 CB ALA A 2 2.841 1.149 -13.689 1.00 25.30 C ATOM 0 H ALA A 2 5.442 2.335 -14.287 1.00 31.44 H new ATOM 0 HA ALA A 2 2.977 3.084 -12.845 1.00 51.14 H new ATOM 0 HB1 ALA A 2 2.197 0.776 -12.892 1.00 25.30 H new ATOM 0 HB2 ALA A 2 2.226 1.491 -14.522 1.00 25.30 H new ATOM 0 HB3 ALA A 2 3.499 0.349 -14.028 1.00 25.30 H new ATOM 21 N PRO A 3 5.059 2.912 -11.186 1.00 21.34 N ATOM 22 CA PRO A 3 5.949 2.646 -10.064 1.00 10.04 C ATOM 23 C PRO A 3 5.196 1.892 -8.962 1.00 44.33 C ATOM 24 O PRO A 3 4.134 2.335 -8.508 1.00 13.02 O ATOM 25 CB PRO A 3 6.461 4.022 -9.626 1.00 21.24 C ATOM 26 CG PRO A 3 5.377 4.996 -10.077 1.00 23.20 C ATOM 27 CD PRO A 3 4.844 4.344 -11.350 1.00 3.40 C ATOM 0 HA PRO A 3 6.790 2.001 -10.321 1.00 10.04 H new ATOM 0 HB2 PRO A 3 6.609 4.065 -8.547 1.00 21.24 H new ATOM 0 HB3 PRO A 3 7.420 4.254 -10.089 1.00 21.24 H new ATOM 0 HG2 PRO A 3 4.597 5.110 -9.324 1.00 23.20 H new ATOM 0 HG3 PRO A 3 5.781 5.990 -10.270 1.00 23.20 H new ATOM 0 HD2 PRO A 3 3.786 4.567 -11.489 1.00 3.40 H new ATOM 0 HD3 PRO A 3 5.367 4.719 -12.230 1.00 3.40 H new ATOM 32 N GLY A 4 5.726 0.746 -8.532 1.00 53.02 N ATOM 33 CA GLY A 4 5.084 -0.131 -7.558 1.00 44.14 C ATOM 34 C GLY A 4 4.256 -1.239 -8.205 1.00 34.24 C ATOM 35 O GLY A 4 3.398 -1.811 -7.529 1.00 13.42 O ATOM 0 H GLY A 4 6.628 0.398 -8.857 1.00 53.02 H new ATOM 0 HA2 GLY A 4 5.848 -0.580 -6.923 1.00 44.14 H new ATOM 0 HA3 GLY A 4 4.441 0.464 -6.910 1.00 44.14 H new ATOM 39 N GLY A 5 4.460 -1.528 -9.495 1.00 52.33 N ATOM 40 CA GLY A 5 3.838 -2.656 -10.173 1.00 31.30 C ATOM 41 C GLY A 5 4.150 -3.988 -9.475 1.00 72.25 C ATOM 42 O GLY A 5 5.244 -4.159 -8.932 1.00 70.54 O ATOM 0 H GLY A 5 5.069 -0.976 -10.098 1.00 52.33 H new ATOM 0 HA2 GLY A 5 2.759 -2.508 -10.207 1.00 31.30 H new ATOM 0 HA3 GLY A 5 4.187 -2.697 -11.205 1.00 31.30 H new ATOM 46 N LYS A 6 3.200 -4.929 -9.486 1.00 12.23 N ATOM 47 CA LYS A 6 3.203 -6.213 -8.765 1.00 41.35 C ATOM 48 C LYS A 6 4.165 -7.201 -9.426 1.00 21.12 C ATOM 49 O LYS A 6 3.732 -8.194 -10.016 1.00 3.21 O ATOM 50 CB LYS A 6 1.770 -6.783 -8.748 1.00 13.34 C ATOM 51 CG LYS A 6 0.814 -6.014 -7.830 1.00 32.54 C ATOM 52 CD LYS A 6 -0.645 -6.342 -8.163 1.00 43.21 C ATOM 53 CE LYS A 6 -1.535 -5.760 -7.070 1.00 21.23 C ATOM 54 NZ LYS A 6 -2.923 -5.549 -7.522 1.00 65.22 N ATOM 0 H LYS A 6 2.349 -4.809 -10.035 1.00 12.23 H new ATOM 0 HA LYS A 6 3.542 -6.052 -7.742 1.00 41.35 H new ATOM 0 HB2 LYS A 6 1.372 -6.773 -9.763 1.00 13.34 H new ATOM 0 HB3 LYS A 6 1.806 -7.825 -8.430 1.00 13.34 H new ATOM 0 HG2 LYS A 6 1.020 -6.267 -6.790 1.00 32.54 H new ATOM 0 HG3 LYS A 6 0.984 -4.943 -7.937 1.00 32.54 H new ATOM 0 HD2 LYS A 6 -0.915 -5.925 -9.133 1.00 43.21 H new ATOM 0 HD3 LYS A 6 -0.785 -7.421 -8.230 1.00 43.21 H new ATOM 0 HE2 LYS A 6 -1.535 -6.431 -6.211 1.00 21.23 H new ATOM 0 HE3 LYS A 6 -1.118 -4.811 -6.734 1.00 21.23 H new ATOM 0 HZ1 LYS A 6 -3.155 -4.536 -7.471 1.00 65.22 H new ATOM 0 HZ2 LYS A 6 -3.022 -5.878 -8.504 1.00 65.22 H new ATOM 0 HZ3 LYS A 6 -3.572 -6.084 -6.911 1.00 65.22 H new ATOM 64 N SER A 7 5.465 -6.917 -9.419 1.00 74.11 N ATOM 65 CA SER A 7 6.380 -7.592 -10.320 1.00 70.44 C ATOM 66 C SER A 7 7.837 -7.373 -9.915 1.00 41.54 C ATOM 67 O SER A 7 8.137 -6.903 -8.817 1.00 71.44 O ATOM 68 CB SER A 7 6.084 -7.066 -11.739 1.00 71.45 C ATOM 69 OG SER A 7 6.179 -8.080 -12.720 1.00 64.21 O ATOM 0 H SER A 7 5.900 -6.230 -8.804 1.00 74.11 H new ATOM 0 HA SER A 7 6.231 -8.671 -10.281 1.00 70.44 H new ATOM 0 HB2 SER A 7 5.083 -6.634 -11.762 1.00 71.45 H new ATOM 0 HB3 SER A 7 6.783 -6.265 -11.980 1.00 71.45 H new ATOM 0 HG SER A 7 5.982 -7.701 -13.602 1.00 64.21 H new ATOM 74 N ARG A 8 8.762 -7.696 -10.827 1.00 23.00 N ATOM 75 CA ARG A 8 10.175 -7.286 -10.807 1.00 23.04 C ATOM 76 C ARG A 8 11.020 -7.948 -9.709 1.00 34.11 C ATOM 77 O ARG A 8 12.219 -7.662 -9.640 1.00 44.34 O ATOM 78 CB ARG A 8 10.278 -5.740 -10.753 1.00 50.14 C ATOM 79 CG ARG A 8 11.271 -5.161 -11.769 1.00 71.24 C ATOM 80 CD ARG A 8 10.740 -5.269 -13.207 1.00 71.12 C ATOM 81 NE ARG A 8 11.647 -5.962 -14.138 1.00 11.30 N ATOM 82 CZ ARG A 8 12.778 -5.483 -14.664 1.00 44.32 C ATOM 83 NH1 ARG A 8 13.274 -4.316 -14.254 1.00 3.11 N ATOM 84 NH2 ARG A 8 13.415 -6.190 -15.591 1.00 73.42 N ATOM 0 H ARG A 8 8.538 -8.276 -11.636 1.00 23.00 H new ATOM 0 HA ARG A 8 10.610 -7.650 -11.738 1.00 23.04 H new ATOM 0 HB2 ARG A 8 9.292 -5.311 -10.934 1.00 50.14 H new ATOM 0 HB3 ARG A 8 10.578 -5.438 -9.750 1.00 50.14 H new ATOM 0 HG2 ARG A 8 11.467 -4.116 -11.531 1.00 71.24 H new ATOM 0 HG3 ARG A 8 12.221 -5.689 -11.691 1.00 71.24 H new ATOM 0 HD2 ARG A 8 9.785 -5.794 -13.191 1.00 71.12 H new ATOM 0 HD3 ARG A 8 10.546 -4.266 -13.586 1.00 71.12 H new ATOM 0 HE ARG A 8 11.383 -6.909 -14.410 1.00 11.30 H new ATOM 0 HH11 ARG A 8 12.790 -3.781 -13.533 1.00 3.11 H new ATOM 0 HH12 ARG A 8 14.138 -3.958 -14.661 1.00 3.11 H new ATOM 0 HH21 ARG A 8 13.040 -7.089 -15.894 1.00 73.42 H new ATOM 0 HH22 ARG A 8 14.279 -5.834 -15.999 1.00 73.42 H new ATOM 95 N ARG A 9 10.437 -8.860 -8.926 1.00 10.23 N ATOM 96 CA ARG A 9 10.968 -9.482 -7.715 1.00 24.43 C ATOM 97 C ARG A 9 11.404 -8.442 -6.686 1.00 22.04 C ATOM 98 O ARG A 9 11.157 -7.245 -6.832 1.00 35.14 O ATOM 99 CB ARG A 9 12.000 -10.590 -8.033 1.00 4.31 C ATOM 100 CG ARG A 9 13.432 -10.125 -8.360 1.00 22.42 C ATOM 101 CD ARG A 9 14.479 -11.133 -7.872 1.00 52.55 C ATOM 102 NE ARG A 9 14.450 -12.398 -8.624 1.00 3.41 N ATOM 103 CZ ARG A 9 15.417 -13.325 -8.605 1.00 24.30 C ATOM 104 NH1 ARG A 9 16.431 -13.256 -7.750 1.00 53.44 N ATOM 105 NH2 ARG A 9 15.351 -14.331 -9.460 1.00 61.12 N ATOM 0 H ARG A 9 9.504 -9.210 -9.143 1.00 10.23 H new ATOM 0 HA ARG A 9 10.159 -10.019 -7.220 1.00 24.43 H new ATOM 0 HB2 ARG A 9 12.048 -11.266 -7.179 1.00 4.31 H new ATOM 0 HB3 ARG A 9 11.628 -11.169 -8.878 1.00 4.31 H new ATOM 0 HG2 ARG A 9 13.533 -9.987 -9.436 1.00 22.42 H new ATOM 0 HG3 ARG A 9 13.615 -9.156 -7.896 1.00 22.42 H new ATOM 0 HD2 ARG A 9 15.471 -10.689 -7.956 1.00 52.55 H new ATOM 0 HD3 ARG A 9 14.311 -11.340 -6.815 1.00 52.55 H new ATOM 0 HE ARG A 9 13.631 -12.583 -9.204 1.00 3.41 H new ATOM 0 HH11 ARG A 9 16.487 -12.483 -7.086 1.00 53.44 H new ATOM 0 HH12 ARG A 9 17.154 -13.976 -7.757 1.00 53.44 H new ATOM 0 HH21 ARG A 9 14.574 -14.391 -10.118 1.00 61.12 H new ATOM 0 HH22 ARG A 9 16.077 -15.047 -9.462 1.00 61.12 H new ATOM 116 N ARG A 10 12.045 -8.904 -5.611 1.00 63.31 N ATOM 117 CA ARG A 10 12.805 -8.098 -4.658 1.00 64.03 C ATOM 118 C ARG A 10 13.983 -7.401 -5.369 1.00 71.03 C ATOM 119 O ARG A 10 15.135 -7.694 -5.069 1.00 33.42 O ATOM 120 CB ARG A 10 13.253 -9.054 -3.524 1.00 73.03 C ATOM 121 CG ARG A 10 13.790 -8.432 -2.220 1.00 2.20 C ATOM 122 CD ARG A 10 15.311 -8.324 -2.107 1.00 62.41 C ATOM 123 NE ARG A 10 15.795 -6.963 -2.378 1.00 0.33 N ATOM 124 CZ ARG A 10 16.938 -6.433 -1.941 1.00 33.04 C ATOM 125 NH1 ARG A 10 17.827 -7.166 -1.275 1.00 11.24 N ATOM 126 NH2 ARG A 10 17.160 -5.142 -2.132 1.00 63.03 N ATOM 0 H ARG A 10 12.048 -9.895 -5.371 1.00 63.31 H new ATOM 0 HA ARG A 10 12.207 -7.293 -4.230 1.00 64.03 H new ATOM 0 HB2 ARG A 10 12.404 -9.687 -3.266 1.00 73.03 H new ATOM 0 HB3 ARG A 10 14.028 -9.708 -3.925 1.00 73.03 H new ATOM 0 HG2 ARG A 10 13.366 -7.433 -2.115 1.00 2.20 H new ATOM 0 HG3 ARG A 10 13.424 -9.023 -1.381 1.00 2.20 H new ATOM 0 HD2 ARG A 10 15.621 -8.625 -1.106 1.00 62.41 H new ATOM 0 HD3 ARG A 10 15.775 -9.019 -2.807 1.00 62.41 H new ATOM 0 HE ARG A 10 15.201 -6.368 -2.955 1.00 0.33 H new ATOM 0 HH11 ARG A 10 17.640 -8.152 -1.091 1.00 11.24 H new ATOM 0 HH12 ARG A 10 18.696 -6.742 -0.949 1.00 11.24 H new ATOM 0 HH21 ARG A 10 16.462 -4.569 -2.607 1.00 63.03 H new ATOM 0 HH22 ARG A 10 18.029 -4.720 -1.804 1.00 63.03 H new ATOM 137 N ARG A 11 13.756 -6.515 -6.348 1.00 53.25 N ATOM 138 CA ARG A 11 14.846 -5.760 -6.990 1.00 62.15 C ATOM 139 C ARG A 11 14.457 -4.353 -7.404 1.00 72.45 C ATOM 140 O ARG A 11 15.263 -3.612 -7.959 1.00 55.14 O ATOM 141 CB ARG A 11 15.425 -6.584 -8.163 1.00 3.44 C ATOM 142 CG ARG A 11 16.906 -6.342 -8.531 1.00 62.35 C ATOM 143 CD ARG A 11 17.239 -5.330 -9.636 1.00 65.12 C ATOM 144 NE ARG A 11 16.512 -5.636 -10.870 1.00 72.45 N ATOM 145 CZ ARG A 11 16.686 -5.069 -12.063 1.00 1.30 C ATOM 146 NH1 ARG A 11 17.623 -4.152 -12.283 1.00 33.42 N ATOM 147 NH2 ARG A 11 15.899 -5.470 -13.044 1.00 70.34 N ATOM 0 H ARG A 11 12.828 -6.302 -6.714 1.00 53.25 H new ATOM 0 HA ARG A 11 15.626 -5.612 -6.243 1.00 62.15 H new ATOM 0 HB2 ARG A 11 15.304 -7.641 -7.926 1.00 3.44 H new ATOM 0 HB3 ARG A 11 14.820 -6.384 -9.047 1.00 3.44 H new ATOM 0 HG2 ARG A 11 17.423 -6.024 -7.626 1.00 62.35 H new ATOM 0 HG3 ARG A 11 17.334 -7.301 -8.822 1.00 62.35 H new ATOM 0 HD2 ARG A 11 16.985 -4.324 -9.301 1.00 65.12 H new ATOM 0 HD3 ARG A 11 18.311 -5.340 -9.831 1.00 65.12 H new ATOM 0 HE ARG A 11 15.796 -6.360 -10.810 1.00 72.45 H new ATOM 0 HH11 ARG A 11 18.239 -3.860 -11.524 1.00 33.42 H new ATOM 0 HH12 ARG A 11 17.726 -3.740 -13.211 1.00 33.42 H new ATOM 0 HH21 ARG A 11 15.194 -6.186 -12.872 1.00 70.34 H new ATOM 0 HH22 ARG A 11 15.996 -5.064 -13.974 1.00 70.34 H new ATOM 158 N THR A 12 13.254 -3.935 -7.077 1.00 1.20 N ATOM 159 CA THR A 12 12.706 -2.630 -7.426 1.00 21.51 C ATOM 160 C THR A 12 11.566 -2.389 -6.445 1.00 11.30 C ATOM 161 O THR A 12 10.798 -3.316 -6.233 1.00 34.53 O ATOM 162 CB THR A 12 12.208 -2.653 -8.889 1.00 54.33 C ATOM 163 OG1 THR A 12 13.153 -3.246 -9.773 1.00 13.14 O ATOM 164 CG2 THR A 12 11.904 -1.253 -9.420 1.00 43.25 C ATOM 0 H THR A 12 12.603 -4.510 -6.542 1.00 1.20 H new ATOM 0 HA THR A 12 13.444 -1.831 -7.359 1.00 21.51 H new ATOM 0 HB THR A 12 11.296 -3.249 -8.863 1.00 54.33 H new ATOM 0 HG1 THR A 12 13.064 -2.846 -10.663 1.00 13.14 H new ATOM 0 HG21 THR A 12 11.558 -1.322 -10.451 1.00 43.25 H new ATOM 0 HG22 THR A 12 11.129 -0.792 -8.807 1.00 43.25 H new ATOM 0 HG23 THR A 12 12.808 -0.645 -9.381 1.00 43.25 H new ATOM 172 N ALA A 13 11.459 -1.187 -5.873 1.00 64.44 N ATOM 173 CA ALA A 13 10.511 -0.735 -4.853 1.00 14.40 C ATOM 174 C ALA A 13 10.301 -1.713 -3.691 1.00 31.14 C ATOM 175 O ALA A 13 10.856 -1.516 -2.606 1.00 20.32 O ATOM 176 CB ALA A 13 9.187 -0.296 -5.479 1.00 34.43 C ATOM 0 H ALA A 13 12.095 -0.435 -6.138 1.00 64.44 H new ATOM 0 HA ALA A 13 10.980 0.135 -4.393 1.00 14.40 H new ATOM 0 HB1 ALA A 13 8.505 0.034 -4.695 1.00 34.43 H new ATOM 0 HB2 ALA A 13 9.367 0.526 -6.172 1.00 34.43 H new ATOM 0 HB3 ALA A 13 8.743 -1.134 -6.017 1.00 34.43 H new ATOM 182 N PHE A 14 9.484 -2.734 -3.933 1.00 24.22 N ATOM 183 CA PHE A 14 8.943 -3.719 -3.006 1.00 13.02 C ATOM 184 C PHE A 14 9.484 -5.114 -3.395 1.00 51.33 C ATOM 185 O PHE A 14 10.489 -5.226 -4.106 1.00 23.11 O ATOM 186 CB PHE A 14 7.416 -3.614 -3.074 1.00 24.51 C ATOM 187 CG PHE A 14 6.868 -2.378 -2.393 1.00 44.03 C ATOM 188 CD1 PHE A 14 6.658 -2.393 -1.008 1.00 33.50 C ATOM 189 CD2 PHE A 14 6.598 -1.209 -3.120 1.00 14.00 C ATOM 190 CE1 PHE A 14 6.141 -1.265 -0.351 1.00 11.13 C ATOM 191 CE2 PHE A 14 6.087 -0.068 -2.470 1.00 21.32 C ATOM 192 CZ PHE A 14 5.857 -0.108 -1.086 1.00 72.55 C ATOM 0 H PHE A 14 9.151 -2.908 -4.881 1.00 24.22 H new ATOM 0 HA PHE A 14 9.248 -3.544 -1.974 1.00 13.02 H new ATOM 0 HB2 PHE A 14 7.105 -3.612 -4.119 1.00 24.51 H new ATOM 0 HB3 PHE A 14 6.977 -4.499 -2.613 1.00 24.51 H new ATOM 0 HD1 PHE A 14 6.896 -3.280 -0.440 1.00 33.50 H new ATOM 0 HD2 PHE A 14 6.783 -1.183 -4.184 1.00 14.00 H new ATOM 0 HE1 PHE A 14 5.964 -1.290 0.714 1.00 11.13 H new ATOM 0 HE2 PHE A 14 5.874 0.829 -3.032 1.00 21.32 H new ATOM 0 HZ PHE A 14 5.458 0.761 -0.584 1.00 72.55 H new ATOM 201 N THR A 15 8.892 -6.198 -2.903 1.00 33.22 N ATOM 202 CA THR A 15 8.978 -7.497 -3.564 1.00 55.35 C ATOM 203 C THR A 15 7.628 -7.787 -4.224 1.00 21.44 C ATOM 204 O THR A 15 6.653 -7.075 -3.978 1.00 3.32 O ATOM 205 CB THR A 15 9.433 -8.604 -2.592 1.00 40.21 C ATOM 206 OG1 THR A 15 8.364 -9.133 -1.834 1.00 54.32 O ATOM 207 CG2 THR A 15 10.503 -8.147 -1.608 1.00 33.41 C ATOM 0 H THR A 15 8.344 -6.202 -2.043 1.00 33.22 H new ATOM 0 HA THR A 15 9.745 -7.476 -4.338 1.00 55.35 H new ATOM 0 HB THR A 15 9.848 -9.369 -3.248 1.00 40.21 H new ATOM 0 HG1 THR A 15 8.387 -10.112 -1.875 1.00 54.32 H new ATOM 0 HG21 THR A 15 10.775 -8.976 -0.955 1.00 33.41 H new ATOM 0 HG22 THR A 15 11.383 -7.813 -2.157 1.00 33.41 H new ATOM 0 HG23 THR A 15 10.117 -7.324 -1.007 1.00 33.41 H new ATOM 215 N SER A 16 7.544 -8.855 -5.018 1.00 43.25 N ATOM 216 CA SER A 16 6.280 -9.330 -5.556 1.00 40.51 C ATOM 217 C SER A 16 5.316 -9.718 -4.428 1.00 34.12 C ATOM 218 O SER A 16 4.108 -9.612 -4.611 1.00 13.23 O ATOM 219 CB SER A 16 6.534 -10.515 -6.500 1.00 20.34 C ATOM 220 OG SER A 16 7.724 -10.355 -7.263 1.00 11.53 O ATOM 0 H SER A 16 8.351 -9.410 -5.303 1.00 43.25 H new ATOM 0 HA SER A 16 5.811 -8.525 -6.122 1.00 40.51 H new ATOM 0 HB2 SER A 16 6.601 -11.433 -5.916 1.00 20.34 H new ATOM 0 HB3 SER A 16 5.685 -10.627 -7.175 1.00 20.34 H new ATOM 0 HG SER A 16 7.845 -11.133 -7.847 1.00 11.53 H new ATOM 225 N GLU A 17 5.828 -10.134 -3.266 1.00 3.20 N ATOM 226 CA GLU A 17 5.072 -10.551 -2.101 1.00 60.42 C ATOM 227 C GLU A 17 4.622 -9.355 -1.270 1.00 35.43 C ATOM 228 O GLU A 17 3.462 -9.291 -0.883 1.00 41.43 O ATOM 229 CB GLU A 17 5.980 -11.446 -1.269 1.00 53.31 C ATOM 230 CG GLU A 17 5.204 -12.310 -0.279 1.00 72.15 C ATOM 231 CD GLU A 17 5.705 -12.087 1.148 1.00 63.32 C ATOM 232 OE1 GLU A 17 6.941 -12.141 1.386 1.00 14.34 O ATOM 233 OE2 GLU A 17 4.872 -11.819 2.029 1.00 33.21 O ATOM 0 H GLU A 17 6.835 -10.189 -3.114 1.00 3.20 H new ATOM 0 HA GLU A 17 4.173 -11.080 -2.416 1.00 60.42 H new ATOM 0 HB2 GLU A 17 6.557 -12.090 -1.933 1.00 53.31 H new ATOM 0 HB3 GLU A 17 6.694 -10.828 -0.725 1.00 53.31 H new ATOM 0 HG2 GLU A 17 4.142 -12.072 -0.337 1.00 72.15 H new ATOM 0 HG3 GLU A 17 5.311 -13.361 -0.546 1.00 72.15 H new ATOM 238 N GLN A 18 5.490 -8.361 -1.064 1.00 4.00 N ATOM 239 CA GLN A 18 5.094 -7.123 -0.393 1.00 4.01 C ATOM 240 C GLN A 18 4.057 -6.343 -1.224 1.00 0.02 C ATOM 241 O GLN A 18 3.525 -5.350 -0.751 1.00 64.34 O ATOM 242 CB GLN A 18 6.338 -6.258 -0.122 1.00 40.13 C ATOM 243 CG GLN A 18 7.367 -6.894 0.828 1.00 14.11 C ATOM 244 CD GLN A 18 8.628 -6.038 1.004 1.00 31.22 C ATOM 245 OE1 GLN A 18 9.158 -5.453 0.055 1.00 24.23 O ATOM 246 NE2 GLN A 18 9.150 -5.961 2.216 1.00 72.11 N ATOM 0 H GLN A 18 6.468 -8.390 -1.352 1.00 4.00 H new ATOM 0 HA GLN A 18 4.625 -7.379 0.557 1.00 4.01 H new ATOM 0 HB2 GLN A 18 6.826 -6.040 -1.072 1.00 40.13 H new ATOM 0 HB3 GLN A 18 6.017 -5.305 0.297 1.00 40.13 H new ATOM 0 HG2 GLN A 18 6.904 -7.054 1.802 1.00 14.11 H new ATOM 0 HG3 GLN A 18 7.650 -7.874 0.445 1.00 14.11 H new ATOM 0 HE21 GLN A 18 8.706 -6.448 2.995 1.00 72.11 H new ATOM 0 HE22 GLN A 18 9.997 -5.415 2.373 1.00 72.11 H new ATOM 253 N LEU A 19 3.751 -6.776 -2.453 1.00 40.13 N ATOM 254 CA LEU A 19 2.678 -6.259 -3.302 1.00 23.43 C ATOM 255 C LEU A 19 1.593 -7.315 -3.541 1.00 34.32 C ATOM 256 O LEU A 19 0.583 -7.038 -4.191 1.00 60.51 O ATOM 257 CB LEU A 19 3.286 -5.830 -4.639 1.00 3.31 C ATOM 258 CG LEU A 19 4.250 -4.642 -4.508 1.00 34.13 C ATOM 259 CD1 LEU A 19 4.949 -4.483 -5.849 1.00 32.13 C ATOM 260 CD2 LEU A 19 3.521 -3.345 -4.146 1.00 72.12 C ATOM 0 H LEU A 19 4.270 -7.531 -2.901 1.00 40.13 H new ATOM 0 HA LEU A 19 2.208 -5.412 -2.803 1.00 23.43 H new ATOM 0 HB2 LEU A 19 3.817 -6.675 -5.078 1.00 3.31 H new ATOM 0 HB3 LEU A 19 2.484 -5.565 -5.328 1.00 3.31 H new ATOM 0 HG LEU A 19 4.959 -4.838 -3.704 1.00 34.13 H new ATOM 0 HD11 LEU A 19 5.646 -3.646 -5.799 1.00 32.13 H new ATOM 0 HD12 LEU A 19 5.495 -5.396 -6.085 1.00 32.13 H new ATOM 0 HD13 LEU A 19 4.208 -4.292 -6.625 1.00 32.13 H new ATOM 0 HD21 LEU A 19 4.243 -2.533 -4.064 1.00 72.12 H new ATOM 0 HD22 LEU A 19 2.794 -3.107 -4.922 1.00 72.12 H new ATOM 0 HD23 LEU A 19 3.006 -3.471 -3.193 1.00 72.12 H new ATOM 271 N LEU A 20 1.797 -8.528 -3.049 1.00 71.22 N ATOM 272 CA LEU A 20 0.791 -9.572 -2.930 1.00 21.12 C ATOM 273 C LEU A 20 -0.042 -9.326 -1.681 1.00 72.44 C ATOM 274 O LEU A 20 -1.264 -9.433 -1.726 1.00 53.32 O ATOM 275 CB LEU A 20 1.495 -10.936 -2.831 1.00 13.24 C ATOM 276 CG LEU A 20 0.536 -12.114 -3.016 1.00 0.10 C ATOM 277 CD1 LEU A 20 0.407 -12.458 -4.498 1.00 3.50 C ATOM 278 CD2 LEU A 20 1.044 -13.328 -2.234 1.00 62.25 C ATOM 0 H LEU A 20 2.711 -8.824 -2.706 1.00 71.22 H new ATOM 0 HA LEU A 20 0.138 -9.564 -3.802 1.00 21.12 H new ATOM 0 HB2 LEU A 20 2.279 -10.990 -3.586 1.00 13.24 H new ATOM 0 HB3 LEU A 20 1.981 -11.019 -1.859 1.00 13.24 H new ATOM 0 HG LEU A 20 -0.446 -11.835 -2.635 1.00 0.10 H new ATOM 0 HD11 LEU A 20 -0.278 -13.298 -4.618 1.00 3.50 H new ATOM 0 HD12 LEU A 20 0.021 -11.594 -5.040 1.00 3.50 H new ATOM 0 HD13 LEU A 20 1.385 -12.728 -4.895 1.00 3.50 H new ATOM 0 HD21 LEU A 20 0.356 -14.163 -2.370 1.00 62.25 H new ATOM 0 HD22 LEU A 20 2.032 -13.609 -2.599 1.00 62.25 H new ATOM 0 HD23 LEU A 20 1.106 -13.079 -1.175 1.00 62.25 H new ATOM 289 N GLU A 21 0.619 -9.019 -0.572 1.00 44.21 N ATOM 290 CA GLU A 21 -0.011 -8.817 0.712 1.00 53.43 C ATOM 291 C GLU A 21 -0.677 -7.448 0.784 1.00 35.54 C ATOM 292 O GLU A 21 -1.856 -7.402 1.101 1.00 61.32 O ATOM 293 CB GLU A 21 1.044 -9.063 1.801 1.00 75.34 C ATOM 294 CG GLU A 21 1.211 -10.568 2.076 1.00 73.43 C ATOM 295 CD GLU A 21 -0.077 -11.215 2.602 1.00 0.10 C ATOM 296 OE1 GLU A 21 -0.352 -11.145 3.824 1.00 22.53 O ATOM 297 OE2 GLU A 21 -0.863 -11.747 1.780 1.00 3.01 O ATOM 0 H GLU A 21 1.632 -8.902 -0.548 1.00 44.21 H new ATOM 0 HA GLU A 21 -0.824 -9.526 0.869 1.00 53.43 H new ATOM 0 HB2 GLU A 21 1.999 -8.638 1.490 1.00 75.34 H new ATOM 0 HB3 GLU A 21 0.751 -8.552 2.718 1.00 75.34 H new ATOM 0 HG2 GLU A 21 1.518 -11.070 1.158 1.00 73.43 H new ATOM 0 HG3 GLU A 21 2.011 -10.715 2.802 1.00 73.43 H new ATOM 302 N LEU A 22 -0.007 -6.357 0.397 1.00 71.24 N ATOM 303 CA LEU A 22 -0.436 -4.985 0.723 1.00 54.14 C ATOM 304 C LEU A 22 -1.847 -4.642 0.246 1.00 24.32 C ATOM 305 O LEU A 22 -2.533 -3.814 0.842 1.00 55.44 O ATOM 306 CB LEU A 22 0.566 -3.974 0.116 1.00 53.22 C ATOM 307 CG LEU A 22 1.411 -3.165 1.129 1.00 21.53 C ATOM 308 CD1 LEU A 22 2.121 -4.011 2.182 1.00 14.42 C ATOM 309 CD2 LEU A 22 2.523 -2.369 0.425 1.00 0.24 C ATOM 0 H LEU A 22 0.851 -6.397 -0.153 1.00 71.24 H new ATOM 0 HA LEU A 22 -0.454 -4.923 1.811 1.00 54.14 H new ATOM 0 HB2 LEU A 22 1.245 -4.516 -0.542 1.00 53.22 H new ATOM 0 HB3 LEU A 22 0.011 -3.272 -0.507 1.00 53.22 H new ATOM 0 HG LEU A 22 0.675 -2.523 1.613 1.00 21.53 H new ATOM 0 HD11 LEU A 22 2.689 -3.361 2.848 1.00 14.42 H new ATOM 0 HD12 LEU A 22 1.383 -4.568 2.760 1.00 14.42 H new ATOM 0 HD13 LEU A 22 2.799 -4.709 1.691 1.00 14.42 H new ATOM 0 HD21 LEU A 22 3.097 -1.812 1.166 1.00 0.24 H new ATOM 0 HD22 LEU A 22 3.183 -3.056 -0.104 1.00 0.24 H new ATOM 0 HD23 LEU A 22 2.078 -1.673 -0.286 1.00 0.24 H new ATOM 320 N GLU A 23 -2.283 -5.260 -0.849 1.00 4.32 N ATOM 321 CA GLU A 23 -3.626 -5.088 -1.381 1.00 32.53 C ATOM 322 C GLU A 23 -4.711 -5.661 -0.471 1.00 12.23 C ATOM 323 O GLU A 23 -5.851 -5.193 -0.487 1.00 73.53 O ATOM 324 CB GLU A 23 -3.705 -5.730 -2.769 1.00 75.11 C ATOM 325 CG GLU A 23 -2.985 -7.084 -2.882 1.00 60.32 C ATOM 326 CD GLU A 23 -3.486 -7.867 -4.099 1.00 20.23 C ATOM 327 OE1 GLU A 23 -3.377 -7.379 -5.242 1.00 63.45 O ATOM 328 OE2 GLU A 23 -4.118 -8.937 -3.916 1.00 74.14 O ATOM 0 H GLU A 23 -1.706 -5.900 -1.395 1.00 4.32 H new ATOM 0 HA GLU A 23 -3.815 -4.017 -1.446 1.00 32.53 H new ATOM 0 HB2 GLU A 23 -4.753 -5.866 -3.034 1.00 75.11 H new ATOM 0 HB3 GLU A 23 -3.278 -5.043 -3.499 1.00 75.11 H new ATOM 0 HG2 GLU A 23 -1.910 -6.923 -2.965 1.00 60.32 H new ATOM 0 HG3 GLU A 23 -3.152 -7.666 -1.976 1.00 60.32 H new ATOM 333 N LYS A 24 -4.381 -6.687 0.300 1.00 32.24 N ATOM 334 CA LYS A 24 -5.301 -7.447 1.126 1.00 3.43 C ATOM 335 C LYS A 24 -5.752 -6.600 2.307 1.00 35.33 C ATOM 336 O LYS A 24 -6.959 -6.494 2.527 1.00 15.01 O ATOM 337 CB LYS A 24 -4.622 -8.773 1.524 1.00 22.32 C ATOM 338 CG LYS A 24 -5.630 -9.925 1.638 1.00 44.23 C ATOM 339 CD LYS A 24 -4.958 -11.287 1.407 1.00 72.55 C ATOM 340 CE LYS A 24 -4.740 -11.608 -0.081 1.00 41.23 C ATOM 341 NZ LYS A 24 -5.939 -12.131 -0.769 1.00 32.51 N ATOM 0 H LYS A 24 -3.421 -7.026 0.368 1.00 32.24 H new ATOM 0 HA LYS A 24 -6.210 -7.705 0.582 1.00 3.43 H new ATOM 0 HB2 LYS A 24 -3.863 -9.028 0.784 1.00 22.32 H new ATOM 0 HB3 LYS A 24 -4.108 -8.645 2.477 1.00 22.32 H new ATOM 0 HG2 LYS A 24 -6.092 -9.909 2.625 1.00 44.23 H new ATOM 0 HG3 LYS A 24 -6.429 -9.784 0.910 1.00 44.23 H new ATOM 0 HD2 LYS A 24 -3.997 -11.303 1.920 1.00 72.55 H new ATOM 0 HD3 LYS A 24 -5.571 -12.069 1.855 1.00 72.55 H new ATOM 0 HE2 LYS A 24 -4.407 -10.704 -0.591 1.00 41.23 H new ATOM 0 HE3 LYS A 24 -3.936 -12.339 -0.170 1.00 41.23 H new ATOM 0 HZ1 LYS A 24 -5.712 -12.323 -1.766 1.00 32.51 H new ATOM 0 HZ2 LYS A 24 -6.247 -13.011 -0.309 1.00 32.51 H new ATOM 0 HZ3 LYS A 24 -6.703 -11.428 -0.717 1.00 32.51 H new ATOM 351 N GLU A 25 -4.855 -5.899 2.997 1.00 20.22 N ATOM 352 CA GLU A 25 -5.238 -4.919 4.013 1.00 55.43 C ATOM 353 C GLU A 25 -6.053 -3.763 3.427 1.00 31.14 C ATOM 354 O GLU A 25 -6.787 -3.097 4.164 1.00 42.34 O ATOM 355 CB GLU A 25 -3.996 -4.335 4.693 1.00 22.13 C ATOM 356 CG GLU A 25 -3.314 -5.333 5.633 1.00 41.33 C ATOM 357 CD GLU A 25 -2.112 -5.942 4.931 1.00 41.44 C ATOM 358 OE1 GLU A 25 -2.313 -6.675 3.950 1.00 32.44 O ATOM 359 OE2 GLU A 25 -0.969 -5.546 5.250 1.00 1.10 O ATOM 0 H GLU A 25 -3.847 -5.993 2.869 1.00 20.22 H new ATOM 0 HA GLU A 25 -5.855 -5.452 4.736 1.00 55.43 H new ATOM 0 HB2 GLU A 25 -3.285 -4.016 3.931 1.00 22.13 H new ATOM 0 HB3 GLU A 25 -4.279 -3.446 5.257 1.00 22.13 H new ATOM 0 HG2 GLU A 25 -3.000 -4.832 6.548 1.00 41.33 H new ATOM 0 HG3 GLU A 25 -4.016 -6.115 5.923 1.00 41.33 H new ATOM 364 N PHE A 26 -5.935 -3.500 2.121 1.00 15.03 N ATOM 365 CA PHE A 26 -6.701 -2.460 1.443 1.00 73.41 C ATOM 366 C PHE A 26 -8.048 -2.990 0.939 1.00 71.11 C ATOM 367 O PHE A 26 -8.863 -2.209 0.445 1.00 71.24 O ATOM 368 CB PHE A 26 -5.872 -1.835 0.308 1.00 75.22 C ATOM 369 CG PHE A 26 -6.305 -0.415 -0.014 1.00 12.03 C ATOM 370 CD1 PHE A 26 -5.830 0.637 0.785 1.00 22.41 C ATOM 371 CD2 PHE A 26 -7.232 -0.139 -1.039 1.00 71.11 C ATOM 372 CE1 PHE A 26 -6.280 1.948 0.567 1.00 12.23 C ATOM 373 CE2 PHE A 26 -7.687 1.175 -1.255 1.00 33.11 C ATOM 374 CZ PHE A 26 -7.217 2.223 -0.443 1.00 71.43 C ATOM 0 H PHE A 26 -5.300 -4.008 1.505 1.00 15.03 H new ATOM 0 HA PHE A 26 -6.924 -1.676 2.167 1.00 73.41 H new ATOM 0 HB2 PHE A 26 -4.819 -1.835 0.589 1.00 75.22 H new ATOM 0 HB3 PHE A 26 -5.964 -2.451 -0.586 1.00 75.22 H new ATOM 0 HD1 PHE A 26 -5.116 0.437 1.570 1.00 22.41 H new ATOM 0 HD2 PHE A 26 -7.596 -0.942 -1.663 1.00 71.11 H new ATOM 0 HE1 PHE A 26 -5.903 2.753 1.181 1.00 12.23 H new ATOM 0 HE2 PHE A 26 -8.396 1.379 -2.043 1.00 33.11 H new ATOM 0 HZ PHE A 26 -7.574 3.231 -0.595 1.00 71.43 H new ATOM 383 N HIS A 27 -8.308 -4.297 1.031 1.00 43.01 N ATOM 384 CA HIS A 27 -9.594 -4.875 0.687 1.00 41.42 C ATOM 385 C HIS A 27 -10.614 -4.421 1.731 1.00 11.43 C ATOM 386 O HIS A 27 -11.589 -3.740 1.401 1.00 61.44 O ATOM 387 CB HIS A 27 -9.481 -6.406 0.606 1.00 20.12 C ATOM 388 CG HIS A 27 -10.713 -7.073 0.043 1.00 52.02 C ATOM 389 ND1 HIS A 27 -11.918 -7.263 0.689 1.00 55.04 N ATOM 390 CD2 HIS A 27 -10.821 -7.627 -1.203 1.00 13.41 C ATOM 391 CE1 HIS A 27 -12.736 -7.913 -0.155 1.00 52.31 C ATOM 392 NE2 HIS A 27 -12.106 -8.176 -1.319 1.00 41.41 N ATOM 0 H HIS A 27 -7.622 -4.982 1.349 1.00 43.01 H new ATOM 0 HA HIS A 27 -9.925 -4.535 -0.294 1.00 41.42 H new ATOM 0 HB2 HIS A 27 -8.622 -6.667 -0.012 1.00 20.12 H new ATOM 0 HB3 HIS A 27 -9.287 -6.801 1.603 1.00 20.12 H new ATOM 0 HD2 HIS A 27 -10.053 -7.639 -1.962 1.00 13.41 H new ATOM 0 HE1 HIS A 27 -13.757 -8.187 0.067 1.00 52.31 H new ATOM 0 HE2 HIS A 27 -12.488 -8.675 -2.123 1.00 41.41 H new ATOM 399 N CYS A 28 -10.383 -4.799 2.991 1.00 40.05 N ATOM 400 CA CYS A 28 -11.349 -4.728 4.068 1.00 54.44 C ATOM 401 C CYS A 28 -11.325 -3.337 4.689 1.00 73.33 C ATOM 402 O CYS A 28 -12.382 -2.734 4.885 1.00 44.35 O ATOM 403 CB CYS A 28 -11.023 -5.828 5.084 1.00 33.14 C ATOM 404 SG CYS A 28 -11.112 -7.451 4.262 1.00 63.53 S ATOM 0 H CYS A 28 -9.483 -5.175 3.290 1.00 40.05 H new ATOM 0 HA CYS A 28 -12.361 -4.893 3.698 1.00 54.44 H new ATOM 0 HB2 CYS A 28 -10.027 -5.672 5.500 1.00 33.14 H new ATOM 0 HB3 CYS A 28 -11.725 -5.790 5.917 1.00 33.14 H new ATOM 0 HG CYS A 28 -11.403 -7.286 3.006 1.00 63.53 H new ATOM 409 N LYS A 29 -10.130 -2.780 4.901 1.00 61.54 N ATOM 410 CA LYS A 29 -9.929 -1.416 5.377 1.00 41.13 C ATOM 411 C LYS A 29 -9.416 -0.533 4.252 1.00 23.43 C ATOM 412 O LYS A 29 -9.232 -1.007 3.136 1.00 44.02 O ATOM 413 CB LYS A 29 -8.985 -1.456 6.580 1.00 74.51 C ATOM 414 CG LYS A 29 -9.752 -1.792 7.857 1.00 13.01 C ATOM 415 CD LYS A 29 -8.757 -1.893 9.007 1.00 33.53 C ATOM 416 CE LYS A 29 -9.458 -2.077 10.353 1.00 74.52 C ATOM 417 NZ LYS A 29 -9.850 -0.796 10.977 1.00 24.52 N ATOM 0 H LYS A 29 -9.256 -3.281 4.741 1.00 61.54 H new ATOM 0 HA LYS A 29 -10.873 -0.977 5.701 1.00 41.13 H new ATOM 0 HB2 LYS A 29 -8.205 -2.199 6.412 1.00 74.51 H new ATOM 0 HB3 LYS A 29 -8.488 -0.492 6.691 1.00 74.51 H new ATOM 0 HG2 LYS A 29 -10.495 -1.023 8.066 1.00 13.01 H new ATOM 0 HG3 LYS A 29 -10.291 -2.732 7.739 1.00 13.01 H new ATOM 0 HD2 LYS A 29 -8.083 -2.731 8.831 1.00 33.53 H new ATOM 0 HD3 LYS A 29 -8.144 -0.992 9.037 1.00 33.53 H new ATOM 0 HE2 LYS A 29 -10.346 -2.694 10.213 1.00 74.52 H new ATOM 0 HE3 LYS A 29 -8.797 -2.618 11.030 1.00 74.52 H new ATOM 0 HZ1 LYS A 29 -10.320 -0.982 11.886 1.00 24.52 H new ATOM 0 HZ2 LYS A 29 -9.003 -0.215 11.138 1.00 24.52 H new ATOM 0 HZ3 LYS A 29 -10.503 -0.288 10.347 1.00 24.52 H new ATOM 427 N LYS A 30 -9.239 0.764 4.516 1.00 34.10 N ATOM 428 CA LYS A 30 -8.564 1.685 3.602 1.00 54.35 C ATOM 429 C LYS A 30 -7.356 2.343 4.266 1.00 13.10 C ATOM 430 O LYS A 30 -6.517 2.883 3.548 1.00 32.32 O ATOM 431 CB LYS A 30 -9.517 2.776 3.078 1.00 51.05 C ATOM 432 CG LYS A 30 -10.823 2.327 2.411 1.00 34.12 C ATOM 433 CD LYS A 30 -10.688 1.422 1.174 1.00 12.10 C ATOM 434 CE LYS A 30 -12.016 1.463 0.403 1.00 54.01 C ATOM 435 NZ LYS A 30 -12.313 0.232 -0.362 1.00 72.11 N ATOM 0 H LYS A 30 -9.563 1.206 5.376 1.00 34.10 H new ATOM 0 HA LYS A 30 -8.224 1.087 2.757 1.00 54.35 H new ATOM 0 HB2 LYS A 30 -9.775 3.425 3.915 1.00 51.05 H new ATOM 0 HB3 LYS A 30 -8.967 3.384 2.360 1.00 51.05 H new ATOM 0 HG2 LYS A 30 -11.422 1.801 3.154 1.00 34.12 H new ATOM 0 HG3 LYS A 30 -11.382 3.217 2.123 1.00 34.12 H new ATOM 0 HD2 LYS A 30 -9.870 1.764 0.540 1.00 12.10 H new ATOM 0 HD3 LYS A 30 -10.454 0.401 1.474 1.00 12.10 H new ATOM 0 HE2 LYS A 30 -12.827 1.643 1.109 1.00 54.01 H new ATOM 0 HE3 LYS A 30 -11.998 2.309 -0.284 1.00 54.01 H new ATOM 0 HZ1 LYS A 30 -13.224 0.339 -0.853 1.00 72.11 H new ATOM 0 HZ2 LYS A 30 -11.560 0.067 -1.061 1.00 72.11 H new ATOM 0 HZ3 LYS A 30 -12.364 -0.577 0.289 1.00 72.11 H new ATOM 445 N TYR A 31 -7.250 2.388 5.598 1.00 73.25 N ATOM 446 CA TYR A 31 -6.095 2.999 6.263 1.00 34.21 C ATOM 447 C TYR A 31 -5.921 2.513 7.701 1.00 34.11 C ATOM 448 O TYR A 31 -6.820 1.917 8.291 1.00 74.13 O ATOM 449 CB TYR A 31 -6.177 4.539 6.209 1.00 12.42 C ATOM 450 CG TYR A 31 -7.515 5.159 6.574 1.00 21.44 C ATOM 451 CD1 TYR A 31 -8.470 5.384 5.566 1.00 1.01 C ATOM 452 CD2 TYR A 31 -7.797 5.542 7.897 1.00 55.44 C ATOM 453 CE1 TYR A 31 -9.673 6.047 5.859 1.00 21.50 C ATOM 454 CE2 TYR A 31 -9.010 6.190 8.204 1.00 60.45 C ATOM 455 CZ TYR A 31 -9.944 6.467 7.179 1.00 21.23 C ATOM 456 OH TYR A 31 -11.077 7.183 7.433 1.00 64.12 O ATOM 0 H TYR A 31 -7.950 2.009 6.236 1.00 73.25 H new ATOM 0 HA TYR A 31 -5.210 2.679 5.712 1.00 34.21 H new ATOM 0 HB2 TYR A 31 -5.419 4.945 6.879 1.00 12.42 H new ATOM 0 HB3 TYR A 31 -5.916 4.860 5.200 1.00 12.42 H new ATOM 0 HD1 TYR A 31 -8.277 5.044 4.559 1.00 1.01 H new ATOM 0 HD2 TYR A 31 -7.082 5.339 8.680 1.00 55.44 H new ATOM 0 HE1 TYR A 31 -10.391 6.235 5.074 1.00 21.50 H new ATOM 0 HE2 TYR A 31 -9.227 6.475 9.223 1.00 60.45 H new ATOM 0 HH TYR A 31 -11.122 7.397 8.388 1.00 64.12 H new ATOM 465 N LEU A 32 -4.749 2.796 8.268 1.00 2.00 N ATOM 466 CA LEU A 32 -4.300 2.373 9.580 1.00 61.35 C ATOM 467 C LEU A 32 -4.159 3.563 10.521 1.00 74.51 C ATOM 468 O LEU A 32 -4.261 4.725 10.109 1.00 0.31 O ATOM 469 CB LEU A 32 -2.940 1.690 9.396 1.00 43.15 C ATOM 470 CG LEU A 32 -2.915 0.449 8.489 1.00 4.32 C ATOM 471 CD1 LEU A 32 -4.041 -0.553 8.773 1.00 4.12 C ATOM 472 CD2 LEU A 32 -2.867 0.749 7.001 1.00 34.30 C ATOM 0 H LEU A 32 -4.049 3.362 7.788 1.00 2.00 H new ATOM 0 HA LEU A 32 -5.027 1.692 10.022 1.00 61.35 H new ATOM 0 HB2 LEU A 32 -2.242 2.423 8.992 1.00 43.15 H new ATOM 0 HB3 LEU A 32 -2.566 1.402 10.379 1.00 43.15 H new ATOM 0 HG LEU A 32 -1.966 -0.015 8.759 1.00 4.32 H new ATOM 0 HD11 LEU A 32 -3.955 -1.400 8.092 1.00 4.12 H new ATOM 0 HD12 LEU A 32 -3.964 -0.905 9.802 1.00 4.12 H new ATOM 0 HD13 LEU A 32 -5.006 -0.067 8.627 1.00 4.12 H new ATOM 0 HD21 LEU A 32 -2.852 -0.186 6.442 1.00 34.30 H new ATOM 0 HD22 LEU A 32 -3.747 1.327 6.718 1.00 34.30 H new ATOM 0 HD23 LEU A 32 -1.968 1.322 6.774 1.00 34.30 H new ATOM 483 N SER A 33 -3.944 3.250 11.792 1.00 15.11 N ATOM 484 CA SER A 33 -3.675 4.170 12.880 1.00 42.15 C ATOM 485 C SER A 33 -2.173 4.491 12.945 1.00 53.12 C ATOM 486 O SER A 33 -1.434 4.217 11.995 1.00 1.22 O ATOM 487 CB SER A 33 -4.218 3.492 14.136 1.00 32.23 C ATOM 488 OG SER A 33 -3.575 2.254 14.354 1.00 72.14 O ATOM 0 H SER A 33 -3.954 2.280 12.107 1.00 15.11 H new ATOM 0 HA SER A 33 -4.160 5.138 12.753 1.00 42.15 H new ATOM 0 HB2 SER A 33 -4.069 4.141 14.999 1.00 32.23 H new ATOM 0 HB3 SER A 33 -5.292 3.337 14.036 1.00 32.23 H new ATOM 0 HG SER A 33 -4.040 1.765 15.064 1.00 72.14 H new ATOM 493 N LEU A 34 -1.710 5.096 14.047 1.00 21.51 N ATOM 494 CA LEU A 34 -0.294 5.296 14.324 1.00 0.32 C ATOM 495 C LEU A 34 0.366 4.051 14.925 1.00 53.44 C ATOM 496 O LEU A 34 1.570 4.088 15.168 1.00 71.41 O ATOM 497 CB LEU A 34 -0.114 6.510 15.258 1.00 43.45 C ATOM 498 CG LEU A 34 0.793 7.568 14.626 1.00 44.35 C ATOM 499 CD1 LEU A 34 0.761 8.864 15.437 1.00 31.30 C ATOM 500 CD2 LEU A 34 2.246 7.110 14.495 1.00 52.44 C ATOM 0 H LEU A 34 -2.322 5.463 14.776 1.00 21.51 H new ATOM 0 HA LEU A 34 0.205 5.487 13.374 1.00 0.32 H new ATOM 0 HB2 LEU A 34 -1.087 6.948 15.480 1.00 43.45 H new ATOM 0 HB3 LEU A 34 0.312 6.182 16.206 1.00 43.45 H new ATOM 0 HG LEU A 34 0.400 7.736 13.623 1.00 44.35 H new ATOM 0 HD11 LEU A 34 1.413 9.602 14.970 1.00 31.30 H new ATOM 0 HD12 LEU A 34 -0.258 9.248 15.468 1.00 31.30 H new ATOM 0 HD13 LEU A 34 1.106 8.667 16.452 1.00 31.30 H new ATOM 0 HD21 LEU A 34 2.838 7.904 14.040 1.00 52.44 H new ATOM 0 HD22 LEU A 34 2.645 6.880 15.483 1.00 52.44 H new ATOM 0 HD23 LEU A 34 2.292 6.219 13.869 1.00 52.44 H new ATOM 511 N THR A 35 -0.361 2.960 15.171 1.00 60.51 N ATOM 512 CA THR A 35 0.204 1.698 15.653 1.00 73.44 C ATOM 513 C THR A 35 0.125 0.665 14.532 1.00 23.13 C ATOM 514 O THR A 35 1.129 0.043 14.197 1.00 52.23 O ATOM 515 CB THR A 35 -0.468 1.294 16.984 1.00 13.42 C ATOM 516 OG1 THR A 35 0.011 0.066 17.485 1.00 43.44 O ATOM 517 CG2 THR A 35 -1.994 1.219 16.913 1.00 44.12 C ATOM 0 H THR A 35 -1.372 2.927 15.039 1.00 60.51 H new ATOM 0 HA THR A 35 1.262 1.791 15.898 1.00 73.44 H new ATOM 0 HB THR A 35 -0.194 2.102 17.662 1.00 13.42 H new ATOM 0 HG1 THR A 35 -0.444 -0.143 18.328 1.00 43.44 H new ATOM 0 HG21 THR A 35 -2.390 0.929 17.886 1.00 44.12 H new ATOM 0 HG22 THR A 35 -2.394 2.194 16.634 1.00 44.12 H new ATOM 0 HG23 THR A 35 -2.288 0.480 16.168 1.00 44.12 H new ATOM 525 N GLU A 36 -1.036 0.529 13.894 1.00 61.51 N ATOM 526 CA GLU A 36 -1.294 -0.538 12.939 1.00 2.44 C ATOM 527 C GLU A 36 -0.352 -0.497 11.734 1.00 55.12 C ATOM 528 O GLU A 36 0.035 -1.543 11.220 1.00 31.54 O ATOM 529 CB GLU A 36 -2.754 -0.442 12.493 1.00 44.01 C ATOM 530 CG GLU A 36 -3.719 -1.095 13.482 1.00 71.54 C ATOM 531 CD GLU A 36 -3.615 -2.615 13.401 1.00 54.03 C ATOM 532 OE1 GLU A 36 -2.801 -3.212 14.126 1.00 13.24 O ATOM 533 OE2 GLU A 36 -4.346 -3.207 12.574 1.00 51.04 O ATOM 0 H GLU A 36 -1.826 1.161 14.028 1.00 61.51 H new ATOM 0 HA GLU A 36 -1.107 -1.493 13.430 1.00 2.44 H new ATOM 0 HB2 GLU A 36 -3.023 0.607 12.369 1.00 44.01 H new ATOM 0 HB3 GLU A 36 -2.863 -0.917 11.518 1.00 44.01 H new ATOM 0 HG2 GLU A 36 -3.492 -0.762 14.495 1.00 71.54 H new ATOM 0 HG3 GLU A 36 -4.740 -0.782 13.264 1.00 71.54 H new ATOM 538 N ARG A 37 0.047 0.696 11.276 1.00 1.10 N ATOM 539 CA ARG A 37 0.982 0.775 10.157 1.00 42.12 C ATOM 540 C ARG A 37 2.367 0.281 10.577 1.00 40.21 C ATOM 541 O ARG A 37 3.060 -0.318 9.760 1.00 75.23 O ATOM 542 CB ARG A 37 1.030 2.199 9.596 1.00 64.35 C ATOM 543 CG ARG A 37 1.743 2.211 8.240 1.00 43.41 C ATOM 544 CD ARG A 37 1.745 3.602 7.599 1.00 71.44 C ATOM 545 NE ARG A 37 0.399 4.163 7.373 1.00 0.14 N ATOM 546 CZ ARG A 37 -0.490 3.771 6.454 1.00 51.45 C ATOM 547 NH1 ARG A 37 -0.201 2.762 5.637 1.00 15.12 N ATOM 548 NH2 ARG A 37 -1.662 4.386 6.349 1.00 2.21 N ATOM 0 H ARG A 37 -0.255 1.594 11.653 1.00 1.10 H new ATOM 0 HA ARG A 37 0.631 0.121 9.359 1.00 42.12 H new ATOM 0 HB2 ARG A 37 0.018 2.588 9.486 1.00 64.35 H new ATOM 0 HB3 ARG A 37 1.550 2.855 10.294 1.00 64.35 H new ATOM 0 HG2 ARG A 37 2.771 1.871 8.369 1.00 43.41 H new ATOM 0 HG3 ARG A 37 1.255 1.504 7.569 1.00 43.41 H new ATOM 0 HD2 ARG A 37 2.309 4.283 8.237 1.00 71.44 H new ATOM 0 HD3 ARG A 37 2.270 3.550 6.645 1.00 71.44 H new ATOM 0 HE ARG A 37 0.117 4.931 7.982 1.00 0.14 H new ATOM 0 HH11 ARG A 37 0.699 2.287 5.711 1.00 15.12 H new ATOM 0 HH12 ARG A 37 -0.879 2.463 4.936 1.00 15.12 H new ATOM 0 HH21 ARG A 37 -1.888 5.162 6.971 1.00 2.21 H new ATOM 0 HH22 ARG A 37 -2.336 4.083 5.646 1.00 2.21 H new ATOM 559 N SER A 38 2.768 0.520 11.825 1.00 20.31 N ATOM 560 CA SER A 38 3.985 -0.016 12.411 1.00 72.44 C ATOM 561 C SER A 38 3.908 -1.546 12.464 1.00 75.55 C ATOM 562 O SER A 38 4.928 -2.196 12.227 1.00 64.41 O ATOM 563 CB SER A 38 4.203 0.614 13.799 1.00 44.05 C ATOM 564 OG SER A 38 5.566 0.616 14.184 1.00 2.12 O ATOM 0 H SER A 38 2.238 1.108 12.469 1.00 20.31 H new ATOM 0 HA SER A 38 4.848 0.239 11.795 1.00 72.44 H new ATOM 0 HB2 SER A 38 3.829 1.638 13.793 1.00 44.05 H new ATOM 0 HB3 SER A 38 3.620 0.066 14.539 1.00 44.05 H new ATOM 0 HG SER A 38 5.655 1.026 15.069 1.00 2.12 H new ATOM 569 N GLN A 39 2.728 -2.119 12.741 1.00 40.35 N ATOM 570 CA GLN A 39 2.540 -3.567 12.780 1.00 55.12 C ATOM 571 C GLN A 39 2.751 -4.146 11.373 1.00 35.52 C ATOM 572 O GLN A 39 3.652 -4.965 11.203 1.00 73.51 O ATOM 573 CB GLN A 39 1.193 -3.967 13.426 1.00 11.44 C ATOM 574 CG GLN A 39 0.954 -3.287 14.794 1.00 55.42 C ATOM 575 CD GLN A 39 0.306 -4.178 15.856 1.00 55.01 C ATOM 576 OE1 GLN A 39 0.989 -4.636 16.773 1.00 33.40 O ATOM 577 NE2 GLN A 39 -0.994 -4.407 15.826 1.00 61.24 N ATOM 0 H GLN A 39 1.881 -1.588 12.943 1.00 40.35 H new ATOM 0 HA GLN A 39 3.292 -4.009 13.433 1.00 55.12 H new ATOM 0 HB2 GLN A 39 0.380 -3.705 12.749 1.00 11.44 H new ATOM 0 HB3 GLN A 39 1.165 -5.049 13.554 1.00 11.44 H new ATOM 0 HG2 GLN A 39 1.910 -2.929 15.176 1.00 55.42 H new ATOM 0 HG3 GLN A 39 0.323 -2.411 14.642 1.00 55.42 H new ATOM 0 HE21 GLN A 39 -1.561 -4.028 15.067 1.00 61.24 H new ATOM 0 HE22 GLN A 39 -1.431 -4.962 16.561 1.00 61.24 H new ATOM 584 N ILE A 40 2.024 -3.667 10.351 1.00 33.12 N ATOM 585 CA ILE A 40 2.192 -4.128 8.962 1.00 74.44 C ATOM 586 C ILE A 40 3.647 -3.949 8.508 1.00 61.42 C ATOM 587 O ILE A 40 4.226 -4.840 7.884 1.00 2.14 O ATOM 588 CB ILE A 40 1.221 -3.375 8.017 1.00 61.15 C ATOM 589 CG1 ILE A 40 -0.244 -3.730 8.348 1.00 22.12 C ATOM 590 CG2 ILE A 40 1.510 -3.677 6.530 1.00 72.32 C ATOM 591 CD1 ILE A 40 -1.253 -2.816 7.651 1.00 12.03 C ATOM 0 H ILE A 40 1.305 -2.952 10.463 1.00 33.12 H new ATOM 0 HA ILE A 40 1.951 -5.190 8.919 1.00 74.44 H new ATOM 0 HB ILE A 40 1.380 -2.309 8.179 1.00 61.15 H new ATOM 0 HG12 ILE A 40 -0.436 -4.763 8.057 1.00 22.12 H new ATOM 0 HG13 ILE A 40 -0.392 -3.670 9.426 1.00 22.12 H new ATOM 0 HG21 ILE A 40 0.806 -3.129 5.904 1.00 72.32 H new ATOM 0 HG22 ILE A 40 2.527 -3.370 6.287 1.00 72.32 H new ATOM 0 HG23 ILE A 40 1.401 -4.746 6.348 1.00 72.32 H new ATOM 0 HD11 ILE A 40 -2.265 -3.116 7.924 1.00 12.03 H new ATOM 0 HD12 ILE A 40 -1.085 -1.785 7.961 1.00 12.03 H new ATOM 0 HD13 ILE A 40 -1.130 -2.895 6.571 1.00 12.03 H new ATOM 602 N ALA A 41 4.242 -2.784 8.795 1.00 13.40 N ATOM 603 CA ALA A 41 5.602 -2.491 8.383 1.00 55.33 C ATOM 604 C ALA A 41 6.565 -3.526 8.947 1.00 23.51 C ATOM 605 O ALA A 41 7.436 -3.989 8.217 1.00 52.35 O ATOM 606 CB ALA A 41 6.009 -1.080 8.813 1.00 74.43 C ATOM 0 H ALA A 41 3.791 -2.031 9.315 1.00 13.40 H new ATOM 0 HA ALA A 41 5.647 -2.538 7.295 1.00 55.33 H new ATOM 0 HB1 ALA A 41 7.032 -0.883 8.493 1.00 74.43 H new ATOM 0 HB2 ALA A 41 5.339 -0.352 8.355 1.00 74.43 H new ATOM 0 HB3 ALA A 41 5.946 -0.998 9.898 1.00 74.43 H new ATOM 612 N HIS A 42 6.430 -3.881 10.223 1.00 40.41 N ATOM 613 CA HIS A 42 7.278 -4.893 10.826 1.00 12.11 C ATOM 614 C HIS A 42 6.991 -6.257 10.195 1.00 22.21 C ATOM 615 O HIS A 42 7.945 -6.926 9.796 1.00 2.11 O ATOM 616 CB HIS A 42 7.119 -4.878 12.350 1.00 31.31 C ATOM 617 CG HIS A 42 7.908 -3.776 13.018 1.00 55.14 C ATOM 618 ND1 HIS A 42 8.651 -3.922 14.164 1.00 55.34 N ATOM 619 CD2 HIS A 42 8.106 -2.497 12.564 1.00 12.22 C ATOM 620 CE1 HIS A 42 9.305 -2.774 14.385 1.00 31.53 C ATOM 621 NE2 HIS A 42 8.979 -1.857 13.454 1.00 3.32 N ATOM 0 H HIS A 42 5.739 -3.479 10.856 1.00 40.41 H new ATOM 0 HA HIS A 42 8.327 -4.672 10.626 1.00 12.11 H new ATOM 0 HB2 HIS A 42 6.064 -4.763 12.598 1.00 31.31 H new ATOM 0 HB3 HIS A 42 7.438 -5.840 12.752 1.00 31.31 H new ATOM 0 HD2 HIS A 42 7.667 -2.061 11.679 1.00 12.22 H new ATOM 0 HE1 HIS A 42 9.997 -2.607 15.197 1.00 31.53 H new ATOM 0 HE2 HIS A 42 9.303 -0.891 13.406 1.00 3.32 H new ATOM 628 N ALA A 43 5.719 -6.640 10.037 1.00 75.35 N ATOM 629 CA ALA A 43 5.299 -7.926 9.488 1.00 55.15 C ATOM 630 C ALA A 43 5.990 -8.214 8.159 1.00 14.20 C ATOM 631 O ALA A 43 6.736 -9.184 8.035 1.00 41.32 O ATOM 632 CB ALA A 43 3.771 -7.969 9.351 1.00 0.04 C ATOM 0 H ALA A 43 4.933 -6.043 10.296 1.00 75.35 H new ATOM 0 HA ALA A 43 5.601 -8.712 10.180 1.00 55.15 H new ATOM 0 HB1 ALA A 43 3.469 -8.933 8.941 1.00 0.04 H new ATOM 0 HB2 ALA A 43 3.314 -7.833 10.331 1.00 0.04 H new ATOM 0 HB3 ALA A 43 3.443 -7.172 8.684 1.00 0.04 H new ATOM 638 N LEU A 44 5.799 -7.335 7.177 1.00 0.14 N ATOM 639 CA LEU A 44 6.375 -7.513 5.847 1.00 15.43 C ATOM 640 C LEU A 44 7.820 -7.030 5.753 1.00 22.53 C ATOM 641 O LEU A 44 8.381 -7.033 4.652 1.00 14.51 O ATOM 642 CB LEU A 44 5.504 -6.806 4.808 1.00 31.42 C ATOM 643 CG LEU A 44 4.088 -7.393 4.689 1.00 33.51 C ATOM 644 CD1 LEU A 44 3.379 -6.559 3.633 1.00 32.12 C ATOM 645 CD2 LEU A 44 4.067 -8.867 4.271 1.00 22.42 C ATOM 0 H LEU A 44 5.244 -6.485 7.280 1.00 0.14 H new ATOM 0 HA LEU A 44 6.396 -8.584 5.645 1.00 15.43 H new ATOM 0 HB2 LEU A 44 5.430 -5.750 5.067 1.00 31.42 H new ATOM 0 HB3 LEU A 44 5.994 -6.862 3.836 1.00 31.42 H new ATOM 0 HG LEU A 44 3.604 -7.358 5.665 1.00 33.51 H new ATOM 0 HD11 LEU A 44 2.362 -6.928 3.501 1.00 32.12 H new ATOM 0 HD12 LEU A 44 3.349 -5.517 3.952 1.00 32.12 H new ATOM 0 HD13 LEU A 44 3.918 -6.634 2.688 1.00 32.12 H new ATOM 0 HD21 LEU A 44 3.035 -9.213 4.208 1.00 22.42 H new ATOM 0 HD22 LEU A 44 4.547 -8.976 3.298 1.00 22.42 H new ATOM 0 HD23 LEU A 44 4.604 -9.462 5.009 1.00 22.42 H new ATOM 656 N LYS A 45 8.434 -6.607 6.862 1.00 14.34 N ATOM 657 CA LYS A 45 9.822 -6.152 6.951 1.00 51.44 C ATOM 658 C LYS A 45 10.064 -4.812 6.258 1.00 54.34 C ATOM 659 O LYS A 45 11.202 -4.463 5.940 1.00 12.30 O ATOM 660 CB LYS A 45 10.748 -7.250 6.413 1.00 41.42 C ATOM 661 CG LYS A 45 12.152 -7.118 6.991 1.00 2.54 C ATOM 662 CD LYS A 45 12.829 -8.496 7.035 1.00 42.42 C ATOM 663 CE LYS A 45 14.086 -8.434 7.893 1.00 12.31 C ATOM 664 NZ LYS A 45 15.179 -7.693 7.237 1.00 11.53 N ATOM 0 H LYS A 45 7.954 -6.571 7.762 1.00 14.34 H new ATOM 0 HA LYS A 45 10.048 -5.970 8.002 1.00 51.44 H new ATOM 0 HB2 LYS A 45 10.339 -8.229 6.663 1.00 41.42 H new ATOM 0 HB3 LYS A 45 10.792 -7.192 5.325 1.00 41.42 H new ATOM 0 HG2 LYS A 45 12.742 -6.432 6.383 1.00 2.54 H new ATOM 0 HG3 LYS A 45 12.104 -6.694 7.994 1.00 2.54 H new ATOM 0 HD2 LYS A 45 12.139 -9.236 7.440 1.00 42.42 H new ATOM 0 HD3 LYS A 45 13.084 -8.817 6.025 1.00 42.42 H new ATOM 0 HE2 LYS A 45 13.849 -7.959 8.845 1.00 12.31 H new ATOM 0 HE3 LYS A 45 14.420 -9.447 8.116 1.00 12.31 H new ATOM 0 HZ1 LYS A 45 16.012 -7.679 7.860 1.00 11.53 H new ATOM 0 HZ2 LYS A 45 15.425 -8.159 6.341 1.00 11.53 H new ATOM 0 HZ3 LYS A 45 14.872 -6.718 7.047 1.00 11.53 H new ATOM 674 N LEU A 46 9.006 -4.071 5.960 1.00 53.34 N ATOM 675 CA LEU A 46 9.092 -2.751 5.373 1.00 31.32 C ATOM 676 C LEU A 46 9.479 -1.729 6.444 1.00 23.30 C ATOM 677 O LEU A 46 9.874 -2.070 7.560 1.00 53.43 O ATOM 678 CB LEU A 46 7.736 -2.416 4.703 1.00 63.25 C ATOM 679 CG LEU A 46 7.507 -3.190 3.396 1.00 41.45 C ATOM 680 CD1 LEU A 46 6.034 -3.148 2.990 1.00 51.02 C ATOM 681 CD2 LEU A 46 8.368 -2.623 2.257 1.00 32.50 C ATOM 0 H LEU A 46 8.048 -4.381 6.124 1.00 53.34 H new ATOM 0 HA LEU A 46 9.867 -2.719 4.608 1.00 31.32 H new ATOM 0 HB2 LEU A 46 6.928 -2.641 5.399 1.00 63.25 H new ATOM 0 HB3 LEU A 46 7.692 -1.346 4.498 1.00 63.25 H new ATOM 0 HG LEU A 46 7.799 -4.225 3.575 1.00 41.45 H new ATOM 0 HD11 LEU A 46 5.896 -3.703 2.062 1.00 51.02 H new ATOM 0 HD12 LEU A 46 5.427 -3.599 3.775 1.00 51.02 H new ATOM 0 HD13 LEU A 46 5.727 -2.113 2.843 1.00 51.02 H new ATOM 0 HD21 LEU A 46 8.185 -3.191 1.345 1.00 32.50 H new ATOM 0 HD22 LEU A 46 8.109 -1.577 2.091 1.00 32.50 H new ATOM 0 HD23 LEU A 46 9.422 -2.698 2.525 1.00 32.50 H new ATOM 692 N SER A 47 9.388 -0.450 6.095 1.00 62.42 N ATOM 693 CA SER A 47 9.377 0.664 7.031 1.00 31.23 C ATOM 694 C SER A 47 8.009 1.332 6.939 1.00 40.15 C ATOM 695 O SER A 47 7.373 1.270 5.884 1.00 75.12 O ATOM 696 CB SER A 47 10.475 1.664 6.668 1.00 4.04 C ATOM 697 OG SER A 47 11.758 1.080 6.776 1.00 0.23 O ATOM 0 H SER A 47 9.318 -0.153 5.122 1.00 62.42 H new ATOM 0 HA SER A 47 9.562 0.312 8.046 1.00 31.23 H new ATOM 0 HB2 SER A 47 10.321 2.023 5.650 1.00 4.04 H new ATOM 0 HB3 SER A 47 10.411 2.531 7.325 1.00 4.04 H new ATOM 0 HG SER A 47 12.440 1.742 6.536 1.00 0.23 H new ATOM 702 N GLU A 48 7.581 2.030 7.995 1.00 55.03 N ATOM 703 CA GLU A 48 6.262 2.668 8.072 1.00 73.35 C ATOM 704 C GLU A 48 5.949 3.515 6.842 1.00 4.33 C ATOM 705 O GLU A 48 4.804 3.577 6.413 1.00 33.24 O ATOM 706 CB GLU A 48 6.170 3.609 9.278 1.00 64.31 C ATOM 707 CG GLU A 48 6.137 2.915 10.635 1.00 31.34 C ATOM 708 CD GLU A 48 5.701 3.923 11.685 1.00 51.34 C ATOM 709 OE1 GLU A 48 4.474 4.080 11.857 1.00 55.25 O ATOM 710 OE2 GLU A 48 6.560 4.629 12.254 1.00 72.24 O ATOM 0 H GLU A 48 8.148 2.170 8.832 1.00 55.03 H new ATOM 0 HA GLU A 48 5.552 1.845 8.152 1.00 73.35 H new ATOM 0 HB2 GLU A 48 7.022 4.289 9.255 1.00 64.31 H new ATOM 0 HB3 GLU A 48 5.272 4.219 9.177 1.00 64.31 H new ATOM 0 HG2 GLU A 48 5.448 2.071 10.612 1.00 31.34 H new ATOM 0 HG3 GLU A 48 7.121 2.516 10.880 1.00 31.34 H new ATOM 715 N VAL A 49 6.956 4.185 6.292 1.00 32.11 N ATOM 716 CA VAL A 49 6.816 5.143 5.213 1.00 74.43 C ATOM 717 C VAL A 49 6.581 4.414 3.903 1.00 42.15 C ATOM 718 O VAL A 49 5.709 4.820 3.145 1.00 42.12 O ATOM 719 CB VAL A 49 8.059 6.038 5.162 1.00 62.33 C ATOM 720 CG1 VAL A 49 8.120 6.856 3.865 1.00 12.34 C ATOM 721 CG2 VAL A 49 8.024 6.987 6.354 1.00 71.12 C ATOM 0 H VAL A 49 7.922 4.069 6.599 1.00 32.11 H new ATOM 0 HA VAL A 49 5.951 5.783 5.388 1.00 74.43 H new ATOM 0 HB VAL A 49 8.943 5.402 5.195 1.00 62.33 H new ATOM 0 HG11 VAL A 49 9.016 7.477 3.868 1.00 12.34 H new ATOM 0 HG12 VAL A 49 8.150 6.181 3.010 1.00 12.34 H new ATOM 0 HG13 VAL A 49 7.238 7.492 3.794 1.00 12.34 H new ATOM 0 HG21 VAL A 49 8.903 7.631 6.332 1.00 71.12 H new ATOM 0 HG22 VAL A 49 7.124 7.600 6.305 1.00 71.12 H new ATOM 0 HG23 VAL A 49 8.020 6.410 7.279 1.00 71.12 H new ATOM 731 N GLN A 50 7.289 3.313 3.654 1.00 43.13 N ATOM 732 CA GLN A 50 7.073 2.501 2.469 1.00 32.34 C ATOM 733 C GLN A 50 5.602 2.082 2.438 1.00 4.42 C ATOM 734 O GLN A 50 4.951 2.185 1.397 1.00 42.13 O ATOM 735 CB GLN A 50 7.992 1.276 2.516 1.00 31.41 C ATOM 736 CG GLN A 50 9.488 1.624 2.511 1.00 43.44 C ATOM 737 CD GLN A 50 10.095 1.388 1.136 1.00 0.40 C ATOM 738 OE1 GLN A 50 10.608 0.310 0.847 1.00 75.41 O ATOM 739 NE2 GLN A 50 10.076 2.371 0.257 1.00 63.24 N ATOM 0 H GLN A 50 8.024 2.964 4.269 1.00 43.13 H new ATOM 0 HA GLN A 50 7.306 3.064 1.565 1.00 32.34 H new ATOM 0 HB2 GLN A 50 7.766 0.698 3.412 1.00 31.41 H new ATOM 0 HB3 GLN A 50 7.774 0.637 1.660 1.00 31.41 H new ATOM 0 HG2 GLN A 50 9.624 2.666 2.799 1.00 43.44 H new ATOM 0 HG3 GLN A 50 10.009 1.018 3.252 1.00 43.44 H new ATOM 0 HE21 GLN A 50 9.649 3.265 0.501 1.00 63.24 H new ATOM 0 HE22 GLN A 50 10.488 2.237 -0.666 1.00 63.24 H new ATOM 746 N VAL A 51 5.074 1.666 3.598 1.00 13.21 N ATOM 747 CA VAL A 51 3.675 1.281 3.730 1.00 64.21 C ATOM 748 C VAL A 51 2.796 2.530 3.561 1.00 60.35 C ATOM 749 O VAL A 51 1.804 2.498 2.840 1.00 34.40 O ATOM 750 CB VAL A 51 3.433 0.545 5.071 1.00 51.35 C ATOM 751 CG1 VAL A 51 2.036 -0.088 5.116 1.00 60.55 C ATOM 752 CG2 VAL A 51 4.435 -0.591 5.327 1.00 14.21 C ATOM 0 H VAL A 51 5.608 1.590 4.464 1.00 13.21 H new ATOM 0 HA VAL A 51 3.402 0.573 2.947 1.00 64.21 H new ATOM 0 HB VAL A 51 3.549 1.315 5.833 1.00 51.35 H new ATOM 0 HG11 VAL A 51 1.898 -0.597 6.070 1.00 60.55 H new ATOM 0 HG12 VAL A 51 1.280 0.690 5.007 1.00 60.55 H new ATOM 0 HG13 VAL A 51 1.936 -0.807 4.303 1.00 60.55 H new ATOM 0 HG21 VAL A 51 4.211 -1.066 6.282 1.00 14.21 H new ATOM 0 HG22 VAL A 51 4.360 -1.329 4.528 1.00 14.21 H new ATOM 0 HG23 VAL A 51 5.446 -0.185 5.352 1.00 14.21 H new ATOM 762 N LYS A 52 3.128 3.656 4.206 1.00 22.31 N ATOM 763 CA LYS A 52 2.336 4.885 4.155 1.00 54.14 C ATOM 764 C LYS A 52 2.163 5.339 2.718 1.00 41.31 C ATOM 765 O LYS A 52 1.030 5.518 2.290 1.00 1.20 O ATOM 766 CB LYS A 52 2.953 5.989 5.032 1.00 13.03 C ATOM 767 CG LYS A 52 2.078 7.254 5.043 1.00 34.13 C ATOM 768 CD LYS A 52 2.509 8.264 6.120 1.00 43.45 C ATOM 769 CE LYS A 52 2.838 9.632 5.504 1.00 61.44 C ATOM 770 NZ LYS A 52 3.016 10.698 6.518 1.00 33.42 N ATOM 0 H LYS A 52 3.965 3.737 4.784 1.00 22.31 H new ATOM 0 HA LYS A 52 1.348 4.674 4.564 1.00 54.14 H new ATOM 0 HB2 LYS A 52 3.075 5.621 6.051 1.00 13.03 H new ATOM 0 HB3 LYS A 52 3.948 6.236 4.661 1.00 13.03 H new ATOM 0 HG2 LYS A 52 2.124 7.731 4.064 1.00 34.13 H new ATOM 0 HG3 LYS A 52 1.039 6.971 5.211 1.00 34.13 H new ATOM 0 HD2 LYS A 52 1.712 8.376 6.856 1.00 43.45 H new ATOM 0 HD3 LYS A 52 3.381 7.883 6.651 1.00 43.45 H new ATOM 0 HE2 LYS A 52 3.749 9.547 4.911 1.00 61.44 H new ATOM 0 HE3 LYS A 52 2.038 9.918 4.821 1.00 61.44 H new ATOM 0 HZ1 LYS A 52 3.236 11.596 6.042 1.00 33.42 H new ATOM 0 HZ2 LYS A 52 2.140 10.803 7.069 1.00 33.42 H new ATOM 0 HZ3 LYS A 52 3.797 10.444 7.156 1.00 33.42 H new ATOM 780 N ILE A 53 3.257 5.517 1.985 1.00 60.51 N ATOM 781 CA ILE A 53 3.270 5.956 0.601 1.00 32.34 C ATOM 782 C ILE A 53 2.408 4.995 -0.225 1.00 44.14 C ATOM 783 O ILE A 53 1.560 5.447 -0.998 1.00 72.31 O ATOM 784 CB ILE A 53 4.736 6.027 0.105 1.00 75.51 C ATOM 785 CG1 ILE A 53 5.540 7.112 0.859 1.00 61.25 C ATOM 786 CG2 ILE A 53 4.755 6.314 -1.407 1.00 33.34 C ATOM 787 CD1 ILE A 53 7.038 7.110 0.554 1.00 53.14 C ATOM 0 H ILE A 53 4.193 5.352 2.356 1.00 60.51 H new ATOM 0 HA ILE A 53 2.846 6.955 0.495 1.00 32.34 H new ATOM 0 HB ILE A 53 5.209 5.065 0.305 1.00 75.51 H new ATOM 0 HG12 ILE A 53 5.131 8.091 0.608 1.00 61.25 H new ATOM 0 HG13 ILE A 53 5.399 6.973 1.931 1.00 61.25 H new ATOM 0 HG21 ILE A 53 5.787 6.364 -1.755 1.00 33.34 H new ATOM 0 HG22 ILE A 53 4.232 5.517 -1.935 1.00 33.34 H new ATOM 0 HG23 ILE A 53 4.260 7.265 -1.603 1.00 33.34 H new ATOM 0 HD11 ILE A 53 7.526 7.901 1.123 1.00 53.14 H new ATOM 0 HD12 ILE A 53 7.465 6.146 0.832 1.00 53.14 H new ATOM 0 HD13 ILE A 53 7.193 7.281 -0.511 1.00 53.14 H new ATOM 798 N TRP A 54 2.586 3.677 -0.076 1.00 75.23 N ATOM 799 CA TRP A 54 1.786 2.717 -0.819 1.00 60.14 C ATOM 800 C TRP A 54 0.286 2.888 -0.554 1.00 0.23 C ATOM 801 O TRP A 54 -0.497 3.009 -1.501 1.00 13.10 O ATOM 802 CB TRP A 54 2.246 1.294 -0.526 1.00 72.11 C ATOM 803 CG TRP A 54 1.682 0.330 -1.503 1.00 33.10 C ATOM 804 CD1 TRP A 54 2.314 -0.193 -2.574 1.00 32.22 C ATOM 805 CD2 TRP A 54 0.363 -0.272 -1.470 1.00 31.33 C ATOM 806 NE1 TRP A 54 1.449 -1.040 -3.237 1.00 31.20 N ATOM 807 CE2 TRP A 54 0.223 -1.107 -2.610 1.00 42.42 C ATOM 808 CE3 TRP A 54 -0.705 -0.237 -0.553 1.00 40.24 C ATOM 809 CZ2 TRP A 54 -0.959 -1.804 -2.867 1.00 23.31 C ATOM 810 CZ3 TRP A 54 -1.880 -0.963 -0.787 1.00 63.31 C ATOM 811 CH2 TRP A 54 -2.026 -1.717 -1.962 1.00 54.15 C ATOM 0 H TRP A 54 3.275 3.260 0.550 1.00 75.23 H new ATOM 0 HA TRP A 54 1.939 2.913 -1.880 1.00 60.14 H new ATOM 0 HB2 TRP A 54 3.335 1.249 -0.555 1.00 72.11 H new ATOM 0 HB3 TRP A 54 1.942 1.012 0.482 1.00 72.11 H new ATOM 0 HD1 TRP A 54 3.332 0.017 -2.866 1.00 32.22 H new ATOM 0 HE1 TRP A 54 1.687 -1.553 -4.086 1.00 31.20 H new ATOM 0 HE3 TRP A 54 -0.617 0.358 0.344 1.00 40.24 H new ATOM 0 HZ2 TRP A 54 -1.051 -2.407 -3.758 1.00 23.31 H new ATOM 0 HZ3 TRP A 54 -2.678 -0.942 -0.059 1.00 63.31 H new ATOM 0 HH2 TRP A 54 -2.955 -2.227 -2.168 1.00 54.15 H new ATOM 821 N PHE A 55 -0.135 2.943 0.717 1.00 64.15 N ATOM 822 CA PHE A 55 -1.536 3.185 1.052 1.00 71.41 C ATOM 823 C PHE A 55 -1.967 4.513 0.456 1.00 12.13 C ATOM 824 O PHE A 55 -3.025 4.571 -0.148 1.00 1.40 O ATOM 825 CB PHE A 55 -1.805 3.174 2.566 1.00 64.53 C ATOM 826 CG PHE A 55 -2.075 1.790 3.124 1.00 52.44 C ATOM 827 CD1 PHE A 55 -1.031 0.861 3.202 1.00 40.21 C ATOM 828 CD2 PHE A 55 -3.365 1.404 3.538 1.00 41.42 C ATOM 829 CE1 PHE A 55 -1.261 -0.431 3.666 1.00 24.41 C ATOM 830 CE2 PHE A 55 -3.614 0.084 3.950 1.00 34.22 C ATOM 831 CZ PHE A 55 -2.555 -0.829 4.016 1.00 32.20 C ATOM 0 H PHE A 55 0.476 2.823 1.525 1.00 64.15 H new ATOM 0 HA PHE A 55 -2.119 2.367 0.629 1.00 71.41 H new ATOM 0 HB2 PHE A 55 -0.947 3.604 3.082 1.00 64.53 H new ATOM 0 HB3 PHE A 55 -2.660 3.816 2.780 1.00 64.53 H new ATOM 0 HD1 PHE A 55 -0.036 1.150 2.899 1.00 40.21 H new ATOM 0 HD2 PHE A 55 -4.167 2.127 3.539 1.00 41.42 H new ATOM 0 HE1 PHE A 55 -0.440 -1.126 3.756 1.00 24.41 H new ATOM 0 HE2 PHE A 55 -4.615 -0.224 4.214 1.00 34.22 H new ATOM 0 HZ PHE A 55 -2.738 -1.844 4.338 1.00 32.20 H new ATOM 840 N GLN A 56 -1.170 5.570 0.581 1.00 43.43 N ATOM 841 CA GLN A 56 -1.460 6.890 0.052 1.00 42.15 C ATOM 842 C GLN A 56 -1.687 6.878 -1.464 1.00 20.10 C ATOM 843 O GLN A 56 -2.487 7.675 -1.955 1.00 64.23 O ATOM 844 CB GLN A 56 -0.351 7.868 0.467 1.00 62.23 C ATOM 845 CG GLN A 56 -0.544 8.424 1.894 1.00 31.54 C ATOM 846 CD GLN A 56 -0.111 9.886 2.017 1.00 21.14 C ATOM 847 OE1 GLN A 56 -0.946 10.784 2.140 1.00 2.30 O ATOM 848 NE2 GLN A 56 1.177 10.175 2.035 1.00 61.35 N ATOM 0 H GLN A 56 -0.276 5.525 1.070 1.00 43.43 H new ATOM 0 HA GLN A 56 -2.401 7.231 0.483 1.00 42.15 H new ATOM 0 HB2 GLN A 56 0.613 7.363 0.406 1.00 62.23 H new ATOM 0 HB3 GLN A 56 -0.322 8.697 -0.240 1.00 62.23 H new ATOM 0 HG2 GLN A 56 -1.593 8.334 2.177 1.00 31.54 H new ATOM 0 HG3 GLN A 56 0.028 7.819 2.597 1.00 31.54 H new ATOM 0 HE21 GLN A 56 1.868 9.432 1.933 1.00 61.35 H new ATOM 0 HE22 GLN A 56 1.481 11.142 2.151 1.00 61.35 H new ATOM 855 N ASN A 57 -1.052 5.978 -2.223 1.00 62.52 N ATOM 856 CA ASN A 57 -1.318 5.790 -3.642 1.00 74.22 C ATOM 857 C ASN A 57 -2.732 5.227 -3.818 1.00 74.55 C ATOM 858 O ASN A 57 -3.582 5.819 -4.482 1.00 64.41 O ATOM 859 CB ASN A 57 -0.259 4.853 -4.244 1.00 62.32 C ATOM 860 CG ASN A 57 0.988 5.582 -4.724 1.00 32.20 C ATOM 861 OD1 ASN A 57 1.188 5.782 -5.920 1.00 31.21 O ATOM 862 ND2 ASN A 57 1.865 5.964 -3.813 1.00 35.12 N ATOM 0 H ASN A 57 -0.331 5.355 -1.859 1.00 62.52 H new ATOM 0 HA ASN A 57 -1.261 6.743 -4.168 1.00 74.22 H new ATOM 0 HB2 ASN A 57 0.027 4.112 -3.497 1.00 62.32 H new ATOM 0 HB3 ASN A 57 -0.698 4.310 -5.081 1.00 62.32 H new ATOM 0 HD21 ASN A 57 2.725 6.433 -4.098 1.00 35.12 H new ATOM 0 HD22 ASN A 57 1.682 5.790 -2.825 1.00 35.12 H new ATOM 868 N ARG A 58 -3.009 4.074 -3.207 1.00 3.10 N ATOM 869 CA ARG A 58 -4.302 3.389 -3.298 1.00 72.22 C ATOM 870 C ARG A 58 -5.449 4.283 -2.810 1.00 4.41 C ATOM 871 O ARG A 58 -6.479 4.418 -3.470 1.00 53.22 O ATOM 872 CB ARG A 58 -4.192 2.061 -2.520 1.00 2.31 C ATOM 873 CG ARG A 58 -4.161 0.839 -3.451 1.00 2.41 C ATOM 874 CD ARG A 58 -2.877 0.800 -4.292 1.00 60.34 C ATOM 875 NE ARG A 58 -2.924 -0.257 -5.312 1.00 43.11 N ATOM 876 CZ ARG A 58 -3.411 -0.162 -6.556 1.00 12.43 C ATOM 877 NH1 ARG A 58 -4.023 0.939 -6.984 1.00 64.15 N ATOM 878 NH2 ARG A 58 -3.283 -1.182 -7.379 1.00 65.45 N ATOM 0 H ARG A 58 -2.331 3.581 -2.625 1.00 3.10 H new ATOM 0 HA ARG A 58 -4.543 3.166 -4.337 1.00 72.22 H new ATOM 0 HB2 ARG A 58 -3.288 2.074 -1.911 1.00 2.31 H new ATOM 0 HB3 ARG A 58 -5.036 1.972 -1.836 1.00 2.31 H new ATOM 0 HG2 ARG A 58 -4.236 -0.073 -2.858 1.00 2.41 H new ATOM 0 HG3 ARG A 58 -5.028 0.862 -4.111 1.00 2.41 H new ATOM 0 HD2 ARG A 58 -2.730 1.766 -4.776 1.00 60.34 H new ATOM 0 HD3 ARG A 58 -2.020 0.637 -3.639 1.00 60.34 H new ATOM 0 HE ARG A 58 -2.543 -1.164 -5.042 1.00 43.11 H new ATOM 0 HH11 ARG A 58 -4.131 1.738 -6.359 1.00 64.15 H new ATOM 0 HH12 ARG A 58 -4.384 0.984 -7.937 1.00 64.15 H new ATOM 0 HH21 ARG A 58 -2.817 -2.034 -7.067 1.00 65.45 H new ATOM 0 HH22 ARG A 58 -3.650 -1.120 -8.329 1.00 65.45 H new ATOM 889 N ARG A 59 -5.242 4.956 -1.680 1.00 60.43 N ATOM 890 CA ARG A 59 -6.088 5.994 -1.103 1.00 2.30 C ATOM 891 C ARG A 59 -6.449 7.029 -2.156 1.00 4.31 C ATOM 892 O ARG A 59 -7.634 7.355 -2.272 1.00 44.12 O ATOM 893 CB ARG A 59 -5.343 6.646 0.081 1.00 75.13 C ATOM 894 CG ARG A 59 -5.363 5.800 1.361 1.00 55.41 C ATOM 895 CD ARG A 59 -6.623 6.010 2.202 1.00 20.52 C ATOM 896 NE ARG A 59 -6.549 7.228 3.028 1.00 52.05 N ATOM 897 CZ ARG A 59 -7.586 7.934 3.488 1.00 72.31 C ATOM 898 NH1 ARG A 59 -8.781 7.808 2.938 1.00 24.41 N ATOM 899 NH2 ARG A 59 -7.407 8.767 4.497 1.00 0.34 N ATOM 0 H ARG A 59 -4.420 4.776 -1.104 1.00 60.43 H new ATOM 0 HA ARG A 59 -7.017 5.553 -0.741 1.00 2.30 H new ATOM 0 HB2 ARG A 59 -4.308 6.828 -0.208 1.00 75.13 H new ATOM 0 HB3 ARG A 59 -5.791 7.617 0.291 1.00 75.13 H new ATOM 0 HG2 ARG A 59 -5.284 4.746 1.094 1.00 55.41 H new ATOM 0 HG3 ARG A 59 -4.487 6.043 1.963 1.00 55.41 H new ATOM 0 HD2 ARG A 59 -7.490 6.072 1.544 1.00 20.52 H new ATOM 0 HD3 ARG A 59 -6.774 5.145 2.848 1.00 20.52 H new ATOM 0 HE ARG A 59 -5.617 7.564 3.272 1.00 52.05 H new ATOM 0 HH11 ARG A 59 -8.917 7.168 2.156 1.00 24.41 H new ATOM 0 HH12 ARG A 59 -9.567 8.351 3.296 1.00 24.41 H new ATOM 0 HH21 ARG A 59 -6.483 8.867 4.918 1.00 0.34 H new ATOM 0 HH22 ARG A 59 -8.192 9.310 4.855 1.00 0.34 H new ATOM 910 N ALA A 60 -5.467 7.564 -2.884 1.00 33.13 N ATOM 911 CA ALA A 60 -5.724 8.635 -3.826 1.00 71.33 C ATOM 912 C ALA A 60 -6.659 8.176 -4.938 1.00 35.53 C ATOM 913 O ALA A 60 -7.679 8.829 -5.167 1.00 2.24 O ATOM 914 CB ALA A 60 -4.414 9.193 -4.376 1.00 64.44 C ATOM 0 H ALA A 60 -4.492 7.269 -2.834 1.00 33.13 H new ATOM 0 HA ALA A 60 -6.230 9.444 -3.298 1.00 71.33 H new ATOM 0 HB1 ALA A 60 -4.628 9.996 -5.081 1.00 64.44 H new ATOM 0 HB2 ALA A 60 -3.811 9.582 -3.555 1.00 64.44 H new ATOM 0 HB3 ALA A 60 -3.866 8.400 -4.885 1.00 64.44 H new ATOM 920 N LYS A 61 -6.360 7.039 -5.579 1.00 71.45 N ATOM 921 CA LYS A 61 -7.218 6.482 -6.622 1.00 23.44 C ATOM 922 C LYS A 61 -8.628 6.249 -6.085 1.00 1.11 C ATOM 923 O LYS A 61 -9.591 6.668 -6.717 1.00 34.53 O ATOM 924 CB LYS A 61 -6.600 5.206 -7.217 1.00 30.40 C ATOM 925 CG LYS A 61 -7.376 4.757 -8.468 1.00 32.30 C ATOM 926 CD LYS A 61 -6.759 3.508 -9.099 1.00 23.23 C ATOM 927 CE LYS A 61 -7.542 3.135 -10.363 1.00 61.42 C ATOM 928 NZ LYS A 61 -6.991 1.947 -11.043 1.00 74.25 N ATOM 0 H LYS A 61 -5.524 6.487 -5.389 1.00 71.45 H new ATOM 0 HA LYS A 61 -7.297 7.203 -7.436 1.00 23.44 H new ATOM 0 HB2 LYS A 61 -5.557 5.388 -7.476 1.00 30.40 H new ATOM 0 HB3 LYS A 61 -6.609 4.410 -6.472 1.00 30.40 H new ATOM 0 HG2 LYS A 61 -8.413 4.555 -8.200 1.00 32.30 H new ATOM 0 HG3 LYS A 61 -7.388 5.566 -9.199 1.00 32.30 H new ATOM 0 HD2 LYS A 61 -5.713 3.691 -9.347 1.00 23.23 H new ATOM 0 HD3 LYS A 61 -6.778 2.681 -8.389 1.00 23.23 H new ATOM 0 HE2 LYS A 61 -8.583 2.948 -10.099 1.00 61.42 H new ATOM 0 HE3 LYS A 61 -7.535 3.979 -11.052 1.00 61.42 H new ATOM 0 HZ1 LYS A 61 -7.557 1.738 -11.890 1.00 74.25 H new ATOM 0 HZ2 LYS A 61 -6.006 2.132 -11.321 1.00 74.25 H new ATOM 0 HZ3 LYS A 61 -7.021 1.132 -10.397 1.00 74.25 H new ATOM 938 N TRP A 62 -8.776 5.663 -4.891 1.00 14.00 N ATOM 939 CA TRP A 62 -10.095 5.452 -4.302 1.00 55.33 C ATOM 940 C TRP A 62 -10.856 6.774 -4.153 1.00 40.05 C ATOM 941 O TRP A 62 -12.049 6.811 -4.443 1.00 75.14 O ATOM 942 CB TRP A 62 -10.000 4.693 -2.971 1.00 22.44 C ATOM 943 CG TRP A 62 -11.293 4.601 -2.211 1.00 55.42 C ATOM 944 CD1 TRP A 62 -12.453 4.085 -2.677 1.00 74.43 C ATOM 945 CD2 TRP A 62 -11.614 5.141 -0.895 1.00 54.25 C ATOM 946 NE1 TRP A 62 -13.452 4.237 -1.738 1.00 40.25 N ATOM 947 CE2 TRP A 62 -13.001 4.931 -0.636 1.00 24.24 C ATOM 948 CE3 TRP A 62 -10.872 5.826 0.090 1.00 2.42 C ATOM 949 CZ2 TRP A 62 -13.625 5.403 0.527 1.00 51.02 C ATOM 950 CZ3 TRP A 62 -11.490 6.285 1.268 1.00 52.05 C ATOM 951 CH2 TRP A 62 -12.862 6.091 1.482 1.00 11.33 C ATOM 0 H TRP A 62 -8.000 5.329 -4.319 1.00 14.00 H new ATOM 0 HA TRP A 62 -10.667 4.826 -4.987 1.00 55.33 H new ATOM 0 HB2 TRP A 62 -9.637 3.684 -3.168 1.00 22.44 H new ATOM 0 HB3 TRP A 62 -9.257 5.182 -2.341 1.00 22.44 H new ATOM 0 HD1 TRP A 62 -12.579 3.621 -3.644 1.00 74.43 H new ATOM 0 HE1 TRP A 62 -14.402 3.882 -1.845 1.00 40.25 H new ATOM 0 HE3 TRP A 62 -9.817 6.000 -0.062 1.00 2.42 H new ATOM 0 HZ2 TRP A 62 -14.681 5.239 0.686 1.00 51.02 H new ATOM 0 HZ3 TRP A 62 -10.900 6.793 2.017 1.00 52.05 H new ATOM 0 HH2 TRP A 62 -13.330 6.470 2.379 1.00 11.33 H new ATOM 961 N LYS A 63 -10.204 7.884 -3.773 1.00 21.53 N ATOM 962 CA LYS A 63 -10.899 9.174 -3.755 1.00 55.23 C ATOM 963 C LYS A 63 -11.378 9.582 -5.142 1.00 23.24 C ATOM 964 O LYS A 63 -12.498 10.080 -5.250 1.00 21.54 O ATOM 965 CB LYS A 63 -10.063 10.295 -3.123 1.00 63.42 C ATOM 966 CG LYS A 63 -9.801 10.058 -1.628 1.00 75.22 C ATOM 967 CD LYS A 63 -10.069 11.299 -0.761 1.00 55.31 C ATOM 968 CE LYS A 63 -9.931 10.968 0.734 1.00 31.42 C ATOM 969 NZ LYS A 63 -10.228 12.145 1.579 1.00 13.04 N ATOM 0 H LYS A 63 -9.227 7.914 -3.483 1.00 21.53 H new ATOM 0 HA LYS A 63 -11.773 9.027 -3.121 1.00 55.23 H new ATOM 0 HB2 LYS A 63 -9.111 10.375 -3.648 1.00 63.42 H new ATOM 0 HB3 LYS A 63 -10.579 11.246 -3.252 1.00 63.42 H new ATOM 0 HG2 LYS A 63 -10.430 9.238 -1.281 1.00 75.22 H new ATOM 0 HG3 LYS A 63 -8.766 9.745 -1.493 1.00 75.22 H new ATOM 0 HD2 LYS A 63 -9.369 12.091 -1.028 1.00 55.31 H new ATOM 0 HD3 LYS A 63 -11.071 11.678 -0.962 1.00 55.31 H new ATOM 0 HE2 LYS A 63 -10.608 10.154 0.992 1.00 31.42 H new ATOM 0 HE3 LYS A 63 -8.919 10.618 0.938 1.00 31.42 H new ATOM 0 HZ1 LYS A 63 -10.126 11.887 2.581 1.00 13.04 H new ATOM 0 HZ2 LYS A 63 -9.566 12.913 1.350 1.00 13.04 H new ATOM 0 HZ3 LYS A 63 -11.202 12.463 1.401 1.00 13.04 H new ATOM 979 N ARG A 64 -10.594 9.346 -6.204 1.00 73.11 N ATOM 980 CA ARG A 64 -11.053 9.686 -7.548 1.00 1.20 C ATOM 981 C ARG A 64 -12.234 8.836 -7.985 1.00 32.41 C ATOM 982 O ARG A 64 -13.055 9.269 -8.783 1.00 10.02 O ATOM 983 CB ARG A 64 -9.928 9.664 -8.597 1.00 71.14 C ATOM 984 CG ARG A 64 -8.919 10.820 -8.473 1.00 1.13 C ATOM 985 CD ARG A 64 -9.571 12.207 -8.611 1.00 1.12 C ATOM 986 NE ARG A 64 -8.565 13.274 -8.763 1.00 53.14 N ATOM 987 CZ ARG A 64 -8.199 13.877 -9.903 1.00 64.45 C ATOM 988 NH1 ARG A 64 -8.736 13.550 -11.069 1.00 44.43 N ATOM 989 NH2 ARG A 64 -7.270 14.824 -9.875 1.00 11.13 N ATOM 0 H ARG A 64 -9.663 8.932 -6.157 1.00 73.11 H new ATOM 0 HA ARG A 64 -11.396 10.719 -7.485 1.00 1.20 H new ATOM 0 HB2 ARG A 64 -9.391 8.719 -8.516 1.00 71.14 H new ATOM 0 HB3 ARG A 64 -10.374 9.693 -9.591 1.00 71.14 H new ATOM 0 HG2 ARG A 64 -8.418 10.755 -7.507 1.00 1.13 H new ATOM 0 HG3 ARG A 64 -8.151 10.708 -9.239 1.00 1.13 H new ATOM 0 HD2 ARG A 64 -10.238 12.211 -9.473 1.00 1.12 H new ATOM 0 HD3 ARG A 64 -10.185 12.409 -7.733 1.00 1.12 H new ATOM 0 HE ARG A 64 -8.098 13.586 -7.911 1.00 53.14 H new ATOM 0 HH11 ARG A 64 -9.448 12.822 -11.116 1.00 44.43 H new ATOM 0 HH12 ARG A 64 -8.437 14.027 -11.920 1.00 44.43 H new ATOM 0 HH21 ARG A 64 -6.839 15.089 -8.990 1.00 11.13 H new ATOM 0 HH22 ARG A 64 -6.987 15.287 -10.739 1.00 11.13 H new ATOM 1000 N ILE A 65 -12.383 7.671 -7.387 1.00 53.03 N ATOM 1001 CA ILE A 65 -13.532 6.816 -7.608 1.00 33.41 C ATOM 1002 C ILE A 65 -14.716 7.358 -6.803 1.00 11.43 C ATOM 1003 O ILE A 65 -15.804 7.515 -7.350 1.00 2.13 O ATOM 1004 CB ILE A 65 -13.164 5.337 -7.352 1.00 10.20 C ATOM 1005 CG1 ILE A 65 -12.095 4.908 -8.388 1.00 2.41 C ATOM 1006 CG2 ILE A 65 -14.404 4.435 -7.469 1.00 21.53 C ATOM 1007 CD1 ILE A 65 -11.408 3.568 -8.113 1.00 13.22 C ATOM 0 H ILE A 65 -11.705 7.288 -6.729 1.00 53.03 H new ATOM 0 HA ILE A 65 -13.850 6.832 -8.650 1.00 33.41 H new ATOM 0 HB ILE A 65 -12.770 5.233 -6.341 1.00 10.20 H new ATOM 0 HG12 ILE A 65 -12.565 4.860 -9.370 1.00 2.41 H new ATOM 0 HG13 ILE A 65 -11.331 5.684 -8.438 1.00 2.41 H new ATOM 0 HG21 ILE A 65 -14.119 3.399 -7.285 1.00 21.53 H new ATOM 0 HG22 ILE A 65 -15.148 4.743 -6.735 1.00 21.53 H new ATOM 0 HG23 ILE A 65 -14.825 4.523 -8.471 1.00 21.53 H new ATOM 0 HD11 ILE A 65 -10.679 3.365 -8.898 1.00 13.22 H new ATOM 0 HD12 ILE A 65 -10.901 3.610 -7.149 1.00 13.22 H new ATOM 0 HD13 ILE A 65 -12.154 2.773 -8.096 1.00 13.22 H new ATOM 1018 N LYS A 66 -14.531 7.675 -5.518 1.00 74.22 N ATOM 1019 CA LYS A 66 -15.636 8.025 -4.619 1.00 43.21 C ATOM 1020 C LYS A 66 -16.277 9.373 -4.941 1.00 35.10 C ATOM 1021 O LYS A 66 -17.485 9.540 -4.826 1.00 35.41 O ATOM 1022 CB LYS A 66 -15.197 7.919 -3.143 1.00 41.23 C ATOM 1023 CG LYS A 66 -14.728 9.245 -2.515 1.00 31.52 C ATOM 1024 CD LYS A 66 -13.998 9.034 -1.196 1.00 24.10 C ATOM 1025 CE LYS A 66 -13.787 10.272 -0.297 1.00 41.21 C ATOM 1026 NZ LYS A 66 -14.314 11.550 -0.833 1.00 64.25 N ATOM 0 H LYS A 66 -13.614 7.696 -5.072 1.00 74.22 H new ATOM 0 HA LYS A 66 -16.424 7.291 -4.788 1.00 43.21 H new ATOM 0 HB2 LYS A 66 -16.030 7.530 -2.557 1.00 41.23 H new ATOM 0 HB3 LYS A 66 -14.388 7.192 -3.070 1.00 41.23 H new ATOM 0 HG2 LYS A 66 -14.070 9.762 -3.213 1.00 31.52 H new ATOM 0 HG3 LYS A 66 -15.590 9.892 -2.351 1.00 31.52 H new ATOM 0 HD2 LYS A 66 -14.549 8.290 -0.621 1.00 24.10 H new ATOM 0 HD3 LYS A 66 -13.020 8.607 -1.417 1.00 24.10 H new ATOM 0 HE2 LYS A 66 -14.257 10.082 0.668 1.00 41.21 H new ATOM 0 HE3 LYS A 66 -12.719 10.388 -0.114 1.00 41.21 H new ATOM 0 HZ1 LYS A 66 -14.167 12.306 -0.134 1.00 64.25 H new ATOM 0 HZ2 LYS A 66 -13.814 11.790 -1.713 1.00 64.25 H new ATOM 0 HZ3 LYS A 66 -15.331 11.452 -1.028 1.00 64.25 H new ATOM 1036 N ALA A 67 -15.452 10.369 -5.228 1.00 61.25 N ATOM 1037 CA ALA A 67 -15.835 11.769 -5.339 1.00 73.42 C ATOM 1038 C ALA A 67 -14.911 12.493 -6.315 1.00 75.24 C ATOM 1039 O ALA A 67 -14.832 13.723 -6.326 1.00 43.15 O ATOM 1040 CB ALA A 67 -15.792 12.422 -3.955 1.00 1.03 C ATOM 0 H ALA A 67 -14.457 10.218 -5.397 1.00 61.25 H new ATOM 0 HA ALA A 67 -16.852 11.838 -5.726 1.00 73.42 H new ATOM 0 HB1 ALA A 67 -16.079 13.470 -4.038 1.00 1.03 H new ATOM 0 HB2 ALA A 67 -16.485 11.908 -3.289 1.00 1.03 H new ATOM 0 HB3 ALA A 67 -14.782 12.353 -3.551 1.00 1.03 H new ATOM 1046 N GLY A 68 -14.129 11.749 -7.093 1.00 51.21 N ATOM 1047 CA GLY A 68 -13.428 12.312 -8.249 1.00 34.50 C ATOM 1048 C GLY A 68 -14.369 12.567 -9.417 1.00 64.45 C ATOM 1049 O GLY A 68 -14.123 12.060 -10.512 1.00 23.52 O ATOM 0 H GLY A 68 -13.963 10.753 -6.946 1.00 51.21 H new ATOM 0 HA2 GLY A 68 -12.946 13.246 -7.961 1.00 34.50 H new ATOM 0 HA3 GLY A 68 -12.638 11.629 -8.562 1.00 34.50 H new ATOM 1053 N ASN A 69 -15.403 13.379 -9.199 1.00 30.13 N ATOM 1054 CA ASN A 69 -16.259 13.957 -10.230 1.00 24.41 C ATOM 1055 C ASN A 69 -17.238 12.965 -10.867 1.00 3.23 C ATOM 1056 O ASN A 69 -17.828 13.284 -11.898 1.00 3.43 O ATOM 1057 CB ASN A 69 -15.402 14.653 -11.299 1.00 42.11 C ATOM 1058 CG ASN A 69 -16.138 15.849 -11.864 1.00 74.25 C ATOM 1059 OD1 ASN A 69 -16.371 16.817 -11.146 1.00 34.30 O ATOM 1060 ND2 ASN A 69 -16.514 15.810 -13.127 1.00 41.22 N ATOM 0 H ASN A 69 -15.677 13.663 -8.258 1.00 30.13 H new ATOM 0 HA ASN A 69 -16.888 14.691 -9.726 1.00 24.41 H new ATOM 0 HB2 ASN A 69 -14.455 14.972 -10.865 1.00 42.11 H new ATOM 0 HB3 ASN A 69 -15.166 13.951 -12.099 1.00 42.11 H new ATOM 0 HD21 ASN A 69 -17.014 16.600 -13.535 1.00 41.22 H new ATOM 0 HD22 ASN A 69 -16.305 14.990 -13.696 1.00 41.22 H new ATOM 1066 N VAL A 70 -17.415 11.792 -10.255 1.00 42.43 N ATOM 1067 CA VAL A 70 -18.113 10.631 -10.795 1.00 5.00 C ATOM 1068 C VAL A 70 -17.361 10.130 -12.035 1.00 61.21 C ATOM 1069 O VAL A 70 -17.851 10.133 -13.165 1.00 10.13 O ATOM 1070 CB VAL A 70 -19.640 10.857 -10.923 1.00 64.12 C ATOM 1071 CG1 VAL A 70 -20.349 9.512 -11.139 1.00 2.43 C ATOM 1072 CG2 VAL A 70 -20.212 11.505 -9.645 1.00 5.23 C ATOM 0 H VAL A 70 -17.053 11.621 -9.317 1.00 42.43 H new ATOM 0 HA VAL A 70 -18.090 9.799 -10.091 1.00 5.00 H new ATOM 0 HB VAL A 70 -19.809 11.520 -11.772 1.00 64.12 H new ATOM 0 HG11 VAL A 70 -21.423 9.677 -11.228 1.00 2.43 H new ATOM 0 HG12 VAL A 70 -19.976 9.047 -12.051 1.00 2.43 H new ATOM 0 HG13 VAL A 70 -20.152 8.856 -10.291 1.00 2.43 H new ATOM 0 HG21 VAL A 70 -21.286 11.653 -9.761 1.00 5.23 H new ATOM 0 HG22 VAL A 70 -20.026 10.853 -8.792 1.00 5.23 H new ATOM 0 HG23 VAL A 70 -19.729 12.468 -9.478 1.00 5.23 H new ATOM 1082 N SER A 71 -16.114 9.715 -11.787 1.00 54.45 N ATOM 1083 CA SER A 71 -15.287 8.963 -12.717 1.00 61.13 C ATOM 1084 C SER A 71 -16.033 7.704 -13.160 1.00 14.30 C ATOM 1085 O SER A 71 -16.150 7.472 -14.387 1.00 1.12 O ATOM 1086 CB SER A 71 -13.935 8.650 -12.059 1.00 51.02 C ATOM 1087 OG SER A 71 -12.923 8.516 -13.040 1.00 10.42 O ATOM 0 H SER A 71 -15.644 9.903 -10.902 1.00 54.45 H new ATOM 0 HA SER A 71 -15.084 9.550 -13.613 1.00 61.13 H new ATOM 0 HB2 SER A 71 -13.671 9.445 -11.362 1.00 51.02 H new ATOM 0 HB3 SER A 71 -14.011 7.730 -11.479 1.00 51.02 H new ATOM 0 HG SER A 71 -12.068 8.318 -12.603 1.00 10.42 H new TER 1092 SER A 71