USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 578 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 63 ASN : amide:sc= -1.28! K(o=-1!,f=-0.52) USER MOD Set 1.2: A 71 SER OG : rot -172:sc= 0.264 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 ASN : amide:sc= -0.153 K(o=-0.15,f=-2!) USER MOD Set 3.1: A 46 ASN : amide:sc= -0.469 K(o=-0.47,f=-7.2!) USER MOD Set 3.2: A 47 SER OG : rot -53:sc= 0.00212 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0199 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 30:sc= -2.11 USER MOD Single : A 19 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.17) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 167:sc= 0 (180deg=-0.277) USER MOD Single : A 49 ASN : amide:sc= -2.41! C(o=-2.4!,f=-2.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc=-0.00763 (180deg=-0.00763) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.38! C(o=-1.4!,f=-3.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.057 -6.300 5.689 1.00 60.54 N ATOM 2 CA GLY A 1 18.064 -6.697 6.670 1.00 64.12 C ATOM 3 C GLY A 1 17.046 -7.667 6.103 1.00 0.42 C ATOM 4 O GLY A 1 16.675 -7.576 4.932 1.00 14.20 O ATOM 0 H1 GLY A 1 19.164 -5.266 5.703 1.00 60.54 H new ATOM 0 H2 GLY A 1 19.968 -6.746 5.918 1.00 60.54 H new ATOM 0 H3 GLY A 1 18.751 -6.604 4.743 1.00 60.54 H new ATOM 0 HA2 GLY A 1 18.564 -7.156 7.523 1.00 64.12 H new ATOM 0 HA3 GLY A 1 17.550 -5.811 7.041 1.00 64.12 H new ATOM 8 N SER A 2 16.594 -8.601 6.934 1.00 51.31 N ATOM 9 CA SER A 2 15.618 -9.596 6.508 1.00 2.33 C ATOM 10 C SER A 2 14.646 -9.923 7.638 1.00 4.32 C ATOM 11 O SER A 2 14.858 -10.866 8.402 1.00 51.35 O ATOM 12 CB SER A 2 16.327 -10.871 6.044 1.00 62.32 C ATOM 13 OG SER A 2 16.211 -11.037 4.642 1.00 23.43 O ATOM 0 H SER A 2 16.889 -8.689 7.907 1.00 51.31 H new ATOM 0 HA SER A 2 15.052 -9.180 5.675 1.00 2.33 H new ATOM 0 HB2 SER A 2 17.380 -10.827 6.322 1.00 62.32 H new ATOM 0 HB3 SER A 2 15.899 -11.735 6.552 1.00 62.32 H new ATOM 0 HG SER A 2 16.673 -11.857 4.370 1.00 23.43 H new ATOM 19 N THR A 3 13.579 -9.138 7.738 1.00 12.34 N ATOM 20 CA THR A 3 12.575 -9.341 8.775 1.00 4.20 C ATOM 21 C THR A 3 11.699 -10.549 8.462 1.00 22.14 C ATOM 22 O THR A 3 11.320 -10.772 7.313 1.00 24.12 O ATOM 23 CB THR A 3 11.677 -8.100 8.939 1.00 62.02 C ATOM 24 OG1 THR A 3 12.485 -6.932 9.120 1.00 50.32 O ATOM 25 CG2 THR A 3 10.740 -8.264 10.125 1.00 33.11 C ATOM 0 H THR A 3 13.387 -8.355 7.113 1.00 12.34 H new ATOM 0 HA THR A 3 13.114 -9.516 9.706 1.00 4.20 H new ATOM 0 HB THR A 3 11.077 -7.990 8.035 1.00 62.02 H new ATOM 0 HG1 THR A 3 11.907 -6.147 9.222 1.00 50.32 H new ATOM 0 HG21 THR A 3 10.116 -7.376 10.221 1.00 33.11 H new ATOM 0 HG22 THR A 3 10.107 -9.138 9.970 1.00 33.11 H new ATOM 0 HG23 THR A 3 11.325 -8.397 11.035 1.00 33.11 H new ATOM 33 N MET A 4 11.382 -11.326 9.492 1.00 24.34 N ATOM 34 CA MET A 4 10.549 -12.512 9.327 1.00 71.42 C ATOM 35 C MET A 4 9.349 -12.213 8.433 1.00 62.23 C ATOM 36 O MET A 4 8.844 -11.090 8.410 1.00 13.24 O ATOM 37 CB MET A 4 10.070 -13.020 10.689 1.00 4.40 C ATOM 38 CG MET A 4 10.295 -14.510 10.894 1.00 73.14 C ATOM 39 SD MET A 4 9.624 -15.104 12.459 1.00 71.14 S ATOM 40 CE MET A 4 11.130 -15.459 13.360 1.00 72.32 C ATOM 0 H MET A 4 11.689 -11.156 10.450 1.00 24.34 H new ATOM 0 HA MET A 4 11.152 -13.285 8.851 1.00 71.42 H new ATOM 0 HB2 MET A 4 10.588 -12.471 11.475 1.00 4.40 H new ATOM 0 HB3 MET A 4 9.007 -12.803 10.796 1.00 4.40 H new ATOM 0 HG2 MET A 4 9.834 -15.060 10.073 1.00 73.14 H new ATOM 0 HG3 MET A 4 11.364 -14.721 10.858 1.00 73.14 H new ATOM 0 HE1 MET A 4 10.880 -15.837 14.352 1.00 72.32 H new ATOM 0 HE2 MET A 4 11.708 -16.209 12.821 1.00 72.32 H new ATOM 0 HE3 MET A 4 11.720 -14.547 13.457 1.00 72.32 H new ATOM 50 N ALA A 5 8.898 -13.224 7.699 1.00 64.45 N ATOM 51 CA ALA A 5 7.756 -13.068 6.805 1.00 3.10 C ATOM 52 C ALA A 5 6.444 -13.094 7.581 1.00 24.33 C ATOM 53 O ALA A 5 5.931 -14.162 7.915 1.00 41.51 O ATOM 54 CB ALA A 5 7.766 -14.158 5.743 1.00 24.43 C ATOM 0 H ALA A 5 9.305 -14.159 7.705 1.00 64.45 H new ATOM 0 HA ALA A 5 7.838 -12.098 6.315 1.00 3.10 H new ATOM 0 HB1 ALA A 5 6.909 -14.030 5.082 1.00 24.43 H new ATOM 0 HB2 ALA A 5 8.685 -14.091 5.161 1.00 24.43 H new ATOM 0 HB3 ALA A 5 7.711 -15.135 6.224 1.00 24.43 H new ATOM 60 N GLU A 6 5.905 -11.912 7.864 1.00 5.30 N ATOM 61 CA GLU A 6 4.652 -11.802 8.602 1.00 53.13 C ATOM 62 C GLU A 6 3.993 -10.449 8.355 1.00 54.13 C ATOM 63 O GLU A 6 3.432 -9.844 9.268 1.00 30.42 O ATOM 64 CB GLU A 6 4.899 -11.996 10.100 1.00 62.34 C ATOM 65 CG GLU A 6 3.623 -12.118 10.916 1.00 23.02 C ATOM 66 CD GLU A 6 3.686 -13.241 11.932 1.00 34.52 C ATOM 67 OE1 GLU A 6 3.166 -14.338 11.636 1.00 53.04 O ATOM 68 OE2 GLU A 6 4.254 -13.024 13.022 1.00 31.32 O ATOM 0 H GLU A 6 6.316 -11.018 7.594 1.00 5.30 H new ATOM 0 HA GLU A 6 3.980 -12.584 8.247 1.00 53.13 H new ATOM 0 HB2 GLU A 6 5.502 -12.892 10.247 1.00 62.34 H new ATOM 0 HB3 GLU A 6 5.482 -11.155 10.476 1.00 62.34 H new ATOM 0 HG2 GLU A 6 3.435 -11.176 11.432 1.00 23.02 H new ATOM 0 HG3 GLU A 6 2.781 -12.287 10.244 1.00 23.02 H new ATOM 76 N GLU A 7 4.068 -9.978 7.113 1.00 31.44 N ATOM 77 CA GLU A 7 3.479 -8.695 6.747 1.00 71.24 C ATOM 78 C GLU A 7 2.860 -8.759 5.354 1.00 1.11 C ATOM 79 O GLU A 7 2.956 -9.775 4.665 1.00 55.02 O ATOM 80 CB GLU A 7 4.538 -7.590 6.797 1.00 31.15 C ATOM 81 CG GLU A 7 4.265 -6.535 7.855 1.00 51.12 C ATOM 82 CD GLU A 7 5.391 -5.526 7.976 1.00 61.23 C ATOM 83 OE1 GLU A 7 6.536 -5.869 7.612 1.00 2.33 O ATOM 84 OE2 GLU A 7 5.128 -4.394 8.432 1.00 33.32 O ATOM 0 H GLU A 7 4.530 -10.465 6.345 1.00 31.44 H new ATOM 0 HA GLU A 7 2.692 -8.467 7.465 1.00 71.24 H new ATOM 0 HB2 GLU A 7 5.512 -8.040 6.987 1.00 31.15 H new ATOM 0 HB3 GLU A 7 4.595 -7.108 5.821 1.00 31.15 H new ATOM 0 HG2 GLU A 7 3.339 -6.013 7.612 1.00 51.12 H new ATOM 0 HG3 GLU A 7 4.113 -7.022 8.818 1.00 51.12 H new ATOM 92 N VAL A 8 2.224 -7.666 4.944 1.00 72.23 N ATOM 93 CA VAL A 8 1.590 -7.595 3.634 1.00 25.32 C ATOM 94 C VAL A 8 2.169 -6.458 2.802 1.00 53.33 C ATOM 95 O VAL A 8 2.552 -5.416 3.336 1.00 62.21 O ATOM 96 CB VAL A 8 0.066 -7.403 3.757 1.00 53.45 C ATOM 97 CG1 VAL A 8 -0.560 -7.211 2.384 1.00 75.25 C ATOM 98 CG2 VAL A 8 -0.563 -8.583 4.479 1.00 35.34 C ATOM 0 H VAL A 8 2.134 -6.817 5.502 1.00 72.23 H new ATOM 0 HA VAL A 8 1.790 -8.543 3.135 1.00 25.32 H new ATOM 0 HB VAL A 8 -0.124 -6.505 4.345 1.00 53.45 H new ATOM 0 HG11 VAL A 8 -1.636 -7.077 2.490 1.00 75.25 H new ATOM 0 HG12 VAL A 8 -0.130 -6.330 1.908 1.00 75.25 H new ATOM 0 HG13 VAL A 8 -0.363 -8.089 1.768 1.00 75.25 H new ATOM 0 HG21 VAL A 8 -1.639 -8.430 4.557 1.00 35.34 H new ATOM 0 HG22 VAL A 8 -0.366 -9.498 3.921 1.00 35.34 H new ATOM 0 HG23 VAL A 8 -0.136 -8.668 5.478 1.00 35.34 H new ATOM 108 N VAL A 9 2.233 -6.662 1.490 1.00 33.12 N ATOM 109 CA VAL A 9 2.765 -5.652 0.584 1.00 64.20 C ATOM 110 C VAL A 9 1.802 -5.386 -0.569 1.00 12.14 C ATOM 111 O VAL A 9 1.240 -6.315 -1.149 1.00 74.41 O ATOM 112 CB VAL A 9 4.129 -6.077 0.010 1.00 52.44 C ATOM 113 CG1 VAL A 9 5.262 -5.413 0.779 1.00 11.20 C ATOM 114 CG2 VAL A 9 4.271 -7.591 0.037 1.00 71.03 C ATOM 0 H VAL A 9 1.923 -7.518 1.031 1.00 33.12 H new ATOM 0 HA VAL A 9 2.892 -4.739 1.166 1.00 64.20 H new ATOM 0 HB VAL A 9 4.185 -5.749 -1.028 1.00 52.44 H new ATOM 0 HG11 VAL A 9 6.218 -5.725 0.359 1.00 11.20 H new ATOM 0 HG12 VAL A 9 5.168 -4.330 0.702 1.00 11.20 H new ATOM 0 HG13 VAL A 9 5.212 -5.708 1.827 1.00 11.20 H new ATOM 0 HG21 VAL A 9 5.241 -7.873 -0.372 1.00 71.03 H new ATOM 0 HG22 VAL A 9 4.194 -7.945 1.065 1.00 71.03 H new ATOM 0 HG23 VAL A 9 3.480 -8.041 -0.562 1.00 71.03 H new ATOM 124 N VAL A 10 1.618 -4.112 -0.897 1.00 74.15 N ATOM 125 CA VAL A 10 0.724 -3.722 -1.981 1.00 10.11 C ATOM 126 C VAL A 10 1.469 -2.928 -3.048 1.00 33.21 C ATOM 127 O VAL A 10 2.425 -2.211 -2.750 1.00 21.12 O ATOM 128 CB VAL A 10 -0.457 -2.881 -1.461 1.00 53.31 C ATOM 129 CG1 VAL A 10 -1.179 -3.611 -0.338 1.00 4.20 C ATOM 130 CG2 VAL A 10 0.026 -1.516 -0.996 1.00 50.40 C ATOM 0 H VAL A 10 2.076 -3.331 -0.427 1.00 74.15 H new ATOM 0 HA VAL A 10 0.338 -4.642 -2.420 1.00 10.11 H new ATOM 0 HB VAL A 10 -1.163 -2.733 -2.278 1.00 53.31 H new ATOM 0 HG11 VAL A 10 -2.010 -3.002 0.017 1.00 4.20 H new ATOM 0 HG12 VAL A 10 -1.559 -4.563 -0.708 1.00 4.20 H new ATOM 0 HG13 VAL A 10 -0.485 -3.792 0.483 1.00 4.20 H new ATOM 0 HG21 VAL A 10 -0.821 -0.935 -0.632 1.00 50.40 H new ATOM 0 HG22 VAL A 10 0.752 -1.641 -0.193 1.00 50.40 H new ATOM 0 HG23 VAL A 10 0.494 -0.992 -1.830 1.00 50.40 H new ATOM 140 N VAL A 11 1.024 -3.058 -4.294 1.00 22.51 N ATOM 141 CA VAL A 11 1.647 -2.351 -5.406 1.00 52.15 C ATOM 142 C VAL A 11 0.715 -1.285 -5.971 1.00 31.41 C ATOM 143 O VAL A 11 -0.495 -1.491 -6.066 1.00 3.25 O ATOM 144 CB VAL A 11 2.044 -3.320 -6.536 1.00 54.20 C ATOM 145 CG1 VAL A 11 0.827 -4.082 -7.038 1.00 74.12 C ATOM 146 CG2 VAL A 11 2.718 -2.566 -7.672 1.00 22.03 C ATOM 0 H VAL A 11 0.234 -3.647 -4.558 1.00 22.51 H new ATOM 0 HA VAL A 11 2.545 -1.874 -5.014 1.00 52.15 H new ATOM 0 HB VAL A 11 2.756 -4.043 -6.138 1.00 54.20 H new ATOM 0 HG11 VAL A 11 1.127 -4.761 -7.836 1.00 74.12 H new ATOM 0 HG12 VAL A 11 0.392 -4.654 -6.218 1.00 74.12 H new ATOM 0 HG13 VAL A 11 0.089 -3.377 -7.420 1.00 74.12 H new ATOM 0 HG21 VAL A 11 2.992 -3.266 -8.461 1.00 22.03 H new ATOM 0 HG22 VAL A 11 2.031 -1.819 -8.071 1.00 22.03 H new ATOM 0 HG23 VAL A 11 3.615 -2.071 -7.299 1.00 22.03 H new ATOM 156 N ALA A 12 1.286 -0.145 -6.344 1.00 61.33 N ATOM 157 CA ALA A 12 0.506 0.953 -6.902 1.00 42.51 C ATOM 158 C ALA A 12 0.377 0.822 -8.415 1.00 44.43 C ATOM 159 O ALA A 12 1.368 0.626 -9.120 1.00 12.10 O ATOM 160 CB ALA A 12 1.139 2.288 -6.538 1.00 44.13 C ATOM 0 H ALA A 12 2.286 0.043 -6.270 1.00 61.33 H new ATOM 0 HA ALA A 12 -0.495 0.909 -6.474 1.00 42.51 H new ATOM 0 HB1 ALA A 12 0.546 3.099 -6.961 1.00 44.13 H new ATOM 0 HB2 ALA A 12 1.173 2.391 -5.453 1.00 44.13 H new ATOM 0 HB3 ALA A 12 2.152 2.332 -6.938 1.00 44.13 H new ATOM 166 N LYS A 13 -0.851 0.929 -8.912 1.00 42.34 N ATOM 167 CA LYS A 13 -1.110 0.823 -10.343 1.00 2.22 C ATOM 168 C LYS A 13 -1.220 2.205 -10.980 1.00 3.24 C ATOM 169 O LYS A 13 -1.245 2.333 -12.204 1.00 73.44 O ATOM 170 CB LYS A 13 -2.396 0.032 -10.591 1.00 25.20 C ATOM 171 CG LYS A 13 -3.605 0.591 -9.862 1.00 73.31 C ATOM 172 CD LYS A 13 -4.820 -0.307 -10.024 1.00 64.34 C ATOM 173 CE LYS A 13 -5.084 -0.628 -11.488 1.00 14.35 C ATOM 174 NZ LYS A 13 -6.278 -1.501 -11.657 1.00 44.04 N ATOM 0 H LYS A 13 -1.683 1.089 -8.344 1.00 42.34 H new ATOM 0 HA LYS A 13 -0.272 0.297 -10.801 1.00 2.22 H new ATOM 0 HB2 LYS A 13 -2.603 0.017 -11.661 1.00 25.20 H new ATOM 0 HB3 LYS A 13 -2.242 -1.002 -10.282 1.00 25.20 H new ATOM 0 HG2 LYS A 13 -3.373 0.702 -8.803 1.00 73.31 H new ATOM 0 HG3 LYS A 13 -3.833 1.586 -10.244 1.00 73.31 H new ATOM 0 HD2 LYS A 13 -4.666 -1.233 -9.469 1.00 64.34 H new ATOM 0 HD3 LYS A 13 -5.695 0.181 -9.594 1.00 64.34 H new ATOM 0 HE2 LYS A 13 -5.230 0.299 -12.042 1.00 14.35 H new ATOM 0 HE3 LYS A 13 -4.210 -1.120 -11.915 1.00 14.35 H new ATOM 0 HZ1 LYS A 13 -6.425 -1.697 -12.668 1.00 44.04 H new ATOM 0 HZ2 LYS A 13 -6.128 -2.396 -11.149 1.00 44.04 H new ATOM 0 HZ3 LYS A 13 -7.116 -1.021 -11.272 1.00 44.04 H new ATOM 188 N PHE A 14 -1.282 3.234 -10.143 1.00 34.54 N ATOM 189 CA PHE A 14 -1.389 4.607 -10.624 1.00 4.31 C ATOM 190 C PHE A 14 -0.583 5.556 -9.742 1.00 63.22 C ATOM 191 O PHE A 14 0.004 5.144 -8.743 1.00 34.02 O ATOM 192 CB PHE A 14 -2.853 5.045 -10.661 1.00 21.44 C ATOM 193 CG PHE A 14 -3.732 4.135 -11.473 1.00 52.52 C ATOM 194 CD1 PHE A 14 -3.384 3.792 -12.769 1.00 23.32 C ATOM 195 CD2 PHE A 14 -4.904 3.625 -10.939 1.00 4.52 C ATOM 196 CE1 PHE A 14 -4.190 2.954 -13.519 1.00 1.22 C ATOM 197 CE2 PHE A 14 -5.712 2.787 -11.683 1.00 64.30 C ATOM 198 CZ PHE A 14 -5.356 2.452 -12.976 1.00 14.11 C ATOM 0 H PHE A 14 -1.260 3.144 -9.127 1.00 34.54 H new ATOM 0 HA PHE A 14 -0.982 4.644 -11.634 1.00 4.31 H new ATOM 0 HB2 PHE A 14 -3.236 5.092 -9.641 1.00 21.44 H new ATOM 0 HB3 PHE A 14 -2.912 6.054 -11.070 1.00 21.44 H new ATOM 0 HD1 PHE A 14 -2.474 4.183 -13.199 1.00 23.32 H new ATOM 0 HD2 PHE A 14 -5.189 3.885 -9.930 1.00 4.52 H new ATOM 0 HE1 PHE A 14 -3.907 2.693 -14.528 1.00 1.22 H new ATOM 0 HE2 PHE A 14 -6.622 2.394 -11.254 1.00 64.30 H new ATOM 0 HZ PHE A 14 -5.988 1.799 -13.560 1.00 14.11 H new ATOM 208 N ASP A 15 -0.561 6.830 -10.121 1.00 31.35 N ATOM 209 CA ASP A 15 0.170 7.839 -9.365 1.00 44.23 C ATOM 210 C ASP A 15 -0.781 8.677 -8.516 1.00 54.02 C ATOM 211 O ASP A 15 -1.869 9.042 -8.962 1.00 34.24 O ATOM 212 CB ASP A 15 0.959 8.744 -10.313 1.00 75.13 C ATOM 213 CG ASP A 15 0.175 9.098 -11.561 1.00 42.54 C ATOM 214 OD1 ASP A 15 -0.156 10.291 -11.737 1.00 3.35 O ATOM 215 OD2 ASP A 15 -0.105 8.184 -12.364 1.00 32.30 O ATOM 0 H ASP A 15 -1.041 7.187 -10.947 1.00 31.35 H new ATOM 0 HA ASP A 15 0.866 7.327 -8.700 1.00 44.23 H new ATOM 0 HB2 ASP A 15 1.237 9.659 -9.790 1.00 75.13 H new ATOM 0 HB3 ASP A 15 1.886 8.246 -10.599 1.00 75.13 H new ATOM 221 N TYR A 16 -0.362 8.979 -7.292 1.00 21.03 N ATOM 222 CA TYR A 16 -1.178 9.771 -6.379 1.00 3.13 C ATOM 223 C TYR A 16 -0.310 10.711 -5.549 1.00 54.31 C ATOM 224 O TYR A 16 0.843 10.404 -5.244 1.00 50.52 O ATOM 225 CB TYR A 16 -1.983 8.855 -5.456 1.00 2.34 C ATOM 226 CG TYR A 16 -2.396 9.512 -4.158 1.00 51.34 C ATOM 227 CD1 TYR A 16 -3.559 10.268 -4.078 1.00 2.23 C ATOM 228 CD2 TYR A 16 -1.621 9.379 -3.012 1.00 3.15 C ATOM 229 CE1 TYR A 16 -3.938 10.872 -2.895 1.00 63.42 C ATOM 230 CE2 TYR A 16 -1.994 9.978 -1.824 1.00 3.51 C ATOM 231 CZ TYR A 16 -3.153 10.724 -1.771 1.00 1.13 C ATOM 232 OH TYR A 16 -3.529 11.322 -0.591 1.00 15.42 O ATOM 0 H TYR A 16 0.537 8.688 -6.909 1.00 21.03 H new ATOM 0 HA TYR A 16 -1.866 10.371 -6.975 1.00 3.13 H new ATOM 0 HB2 TYR A 16 -2.876 8.517 -5.982 1.00 2.34 H new ATOM 0 HB3 TYR A 16 -1.390 7.968 -5.232 1.00 2.34 H new ATOM 0 HD1 TYR A 16 -4.177 10.385 -4.956 1.00 2.23 H new ATOM 0 HD2 TYR A 16 -0.712 8.798 -3.051 1.00 3.15 H new ATOM 0 HE1 TYR A 16 -4.845 11.457 -2.851 1.00 63.42 H new ATOM 0 HE2 TYR A 16 -1.382 9.863 -0.942 1.00 3.51 H new ATOM 0 HH TYR A 16 -4.506 11.384 -0.553 1.00 15.42 H new ATOM 242 N VAL A 17 -0.872 11.859 -5.186 1.00 71.24 N ATOM 243 CA VAL A 17 -0.151 12.846 -4.390 1.00 21.34 C ATOM 244 C VAL A 17 -0.783 13.008 -3.011 1.00 4.31 C ATOM 245 O VAL A 17 -1.885 13.540 -2.881 1.00 24.05 O ATOM 246 CB VAL A 17 -0.118 14.216 -5.090 1.00 53.15 C ATOM 247 CG1 VAL A 17 0.581 15.246 -4.216 1.00 55.10 C ATOM 248 CG2 VAL A 17 0.565 14.105 -6.446 1.00 72.21 C ATOM 0 H VAL A 17 -1.825 12.129 -5.430 1.00 71.24 H new ATOM 0 HA VAL A 17 0.869 12.478 -4.279 1.00 21.34 H new ATOM 0 HB VAL A 17 -1.144 14.547 -5.251 1.00 53.15 H new ATOM 0 HG11 VAL A 17 0.595 16.208 -4.728 1.00 55.10 H new ATOM 0 HG12 VAL A 17 0.046 15.345 -3.271 1.00 55.10 H new ATOM 0 HG13 VAL A 17 1.604 14.924 -4.022 1.00 55.10 H new ATOM 0 HG21 VAL A 17 0.580 15.083 -6.927 1.00 72.21 H new ATOM 0 HG22 VAL A 17 1.587 13.752 -6.311 1.00 72.21 H new ATOM 0 HG23 VAL A 17 0.018 13.401 -7.072 1.00 72.21 H new ATOM 258 N ALA A 18 -0.077 12.544 -1.985 1.00 43.14 N ATOM 259 CA ALA A 18 -0.568 12.640 -0.616 1.00 10.44 C ATOM 260 C ALA A 18 -1.117 14.031 -0.325 1.00 61.24 C ATOM 261 O ALA A 18 -0.388 14.914 0.126 1.00 73.43 O ATOM 262 CB ALA A 18 0.541 12.292 0.367 1.00 12.04 C ATOM 0 H ALA A 18 0.836 12.098 -2.076 1.00 43.14 H new ATOM 0 HA ALA A 18 -1.382 11.925 -0.498 1.00 10.44 H new ATOM 0 HB1 ALA A 18 0.161 12.368 1.386 1.00 12.04 H new ATOM 0 HB2 ALA A 18 0.885 11.274 0.182 1.00 12.04 H new ATOM 0 HB3 ALA A 18 1.373 12.985 0.238 1.00 12.04 H new ATOM 268 N GLN A 19 -2.407 14.220 -0.587 1.00 33.21 N ATOM 269 CA GLN A 19 -3.053 15.507 -0.354 1.00 24.15 C ATOM 270 C GLN A 19 -2.681 16.063 1.016 1.00 12.00 C ATOM 271 O GLN A 19 -2.047 17.113 1.118 1.00 22.01 O ATOM 272 CB GLN A 19 -4.572 15.365 -0.465 1.00 32.31 C ATOM 273 CG GLN A 19 -5.176 16.167 -1.607 1.00 71.41 C ATOM 274 CD GLN A 19 -5.085 15.448 -2.938 1.00 23.12 C ATOM 275 OE1 GLN A 19 -6.100 15.071 -3.523 1.00 24.05 O ATOM 276 NE2 GLN A 19 -3.864 15.254 -3.424 1.00 71.30 N ATOM 0 H GLN A 19 -3.025 13.499 -0.960 1.00 33.21 H new ATOM 0 HA GLN A 19 -2.703 16.204 -1.115 1.00 24.15 H new ATOM 0 HB2 GLN A 19 -4.821 14.312 -0.599 1.00 32.31 H new ATOM 0 HB3 GLN A 19 -5.028 15.683 0.473 1.00 32.31 H new ATOM 0 HG2 GLN A 19 -6.222 16.379 -1.384 1.00 71.41 H new ATOM 0 HG3 GLN A 19 -4.665 17.127 -1.681 1.00 71.41 H new ATOM 0 HE21 GLN A 19 -3.050 15.584 -2.905 1.00 71.30 H new ATOM 0 HE22 GLN A 19 -3.740 14.776 -4.316 1.00 71.30 H new ATOM 285 N GLN A 20 -3.079 15.352 2.066 1.00 30.21 N ATOM 286 CA GLN A 20 -2.788 15.776 3.429 1.00 15.10 C ATOM 287 C GLN A 20 -1.366 15.394 3.827 1.00 2.44 C ATOM 288 O GLN A 20 -0.823 14.401 3.344 1.00 61.44 O ATOM 289 CB GLN A 20 -3.788 15.153 4.405 1.00 4.44 C ATOM 290 CG GLN A 20 -4.633 16.175 5.147 1.00 0.03 C ATOM 291 CD GLN A 20 -5.622 15.534 6.101 1.00 25.23 C ATOM 292 OE1 GLN A 20 -5.854 14.325 6.053 1.00 0.42 O ATOM 293 NE2 GLN A 20 -6.212 16.341 6.974 1.00 41.11 N ATOM 0 H GLN A 20 -3.604 14.480 1.998 1.00 30.21 H new ATOM 0 HA GLN A 20 -2.878 16.861 3.471 1.00 15.10 H new ATOM 0 HB2 GLN A 20 -4.446 14.479 3.857 1.00 4.44 H new ATOM 0 HB3 GLN A 20 -3.245 14.547 5.131 1.00 4.44 H new ATOM 0 HG2 GLN A 20 -3.979 16.845 5.704 1.00 0.03 H new ATOM 0 HG3 GLN A 20 -5.175 16.786 4.425 1.00 0.03 H new ATOM 0 HE21 GLN A 20 -5.990 17.337 6.979 1.00 41.11 H new ATOM 0 HE22 GLN A 20 -6.887 15.966 7.640 1.00 41.11 H new ATOM 302 N GLU A 21 -0.769 16.189 4.710 1.00 41.25 N ATOM 303 CA GLU A 21 0.591 15.933 5.170 1.00 73.34 C ATOM 304 C GLU A 21 0.676 14.596 5.898 1.00 1.14 C ATOM 305 O GLU A 21 1.766 14.098 6.178 1.00 33.11 O ATOM 306 CB GLU A 21 1.061 17.060 6.092 1.00 33.14 C ATOM 307 CG GLU A 21 0.224 17.205 7.352 1.00 44.40 C ATOM 308 CD GLU A 21 -0.712 18.396 7.297 1.00 62.20 C ATOM 309 OE1 GLU A 21 -1.916 18.218 7.576 1.00 23.12 O ATOM 310 OE2 GLU A 21 -0.241 19.507 6.974 1.00 33.51 O ATOM 0 H GLU A 21 -1.205 17.015 5.120 1.00 41.25 H new ATOM 0 HA GLU A 21 1.242 15.893 4.297 1.00 73.34 H new ATOM 0 HB2 GLU A 21 2.098 16.879 6.374 1.00 33.14 H new ATOM 0 HB3 GLU A 21 1.040 18.001 5.542 1.00 33.14 H new ATOM 0 HG2 GLU A 21 -0.359 16.296 7.503 1.00 44.40 H new ATOM 0 HG3 GLU A 21 0.885 17.307 8.213 1.00 44.40 H new ATOM 318 N GLN A 22 -0.482 14.019 6.204 1.00 63.33 N ATOM 319 CA GLN A 22 -0.539 12.740 6.901 1.00 72.35 C ATOM 320 C GLN A 22 -0.422 11.580 5.918 1.00 24.43 C ATOM 321 O GLN A 22 0.204 10.563 6.216 1.00 22.45 O ATOM 322 CB GLN A 22 -1.842 12.625 7.693 1.00 62.11 C ATOM 323 CG GLN A 22 -1.931 11.364 8.537 1.00 2.24 C ATOM 324 CD GLN A 22 -2.210 11.658 9.999 1.00 44.01 C ATOM 325 OE1 GLN A 22 -3.363 11.805 10.405 1.00 41.24 O ATOM 326 NE2 GLN A 22 -1.153 11.746 10.797 1.00 24.13 N ATOM 0 H GLN A 22 -1.394 14.418 5.980 1.00 63.33 H new ATOM 0 HA GLN A 22 0.302 12.693 7.592 1.00 72.35 H new ATOM 0 HB2 GLN A 22 -1.941 13.495 8.343 1.00 62.11 H new ATOM 0 HB3 GLN A 22 -2.682 12.648 6.999 1.00 62.11 H new ATOM 0 HG2 GLN A 22 -2.719 10.722 8.143 1.00 2.24 H new ATOM 0 HG3 GLN A 22 -0.997 10.809 8.454 1.00 2.24 H new ATOM 0 HE21 GLN A 22 -0.215 11.617 10.417 1.00 24.13 H new ATOM 0 HE22 GLN A 22 -1.279 11.943 11.790 1.00 24.13 H new ATOM 335 N GLU A 23 -1.030 11.738 4.746 1.00 35.51 N ATOM 336 CA GLU A 23 -0.996 10.702 3.721 1.00 13.24 C ATOM 337 C GLU A 23 0.416 10.531 3.168 1.00 74.35 C ATOM 338 O GLU A 23 1.302 11.346 3.434 1.00 21.23 O ATOM 339 CB GLU A 23 -1.964 11.043 2.587 1.00 51.21 C ATOM 340 CG GLU A 23 -3.419 11.082 3.019 1.00 73.35 C ATOM 341 CD GLU A 23 -4.285 11.897 2.079 1.00 71.34 C ATOM 342 OE1 GLU A 23 -3.744 12.802 1.409 1.00 71.30 O ATOM 343 OE2 GLU A 23 -5.503 11.630 2.012 1.00 73.31 O ATOM 0 H GLU A 23 -1.552 12.574 4.483 1.00 35.51 H new ATOM 0 HA GLU A 23 -1.304 9.762 4.179 1.00 13.24 H new ATOM 0 HB2 GLU A 23 -1.692 12.012 2.168 1.00 51.21 H new ATOM 0 HB3 GLU A 23 -1.850 10.308 1.790 1.00 51.21 H new ATOM 0 HG2 GLU A 23 -3.806 10.064 3.073 1.00 73.35 H new ATOM 0 HG3 GLU A 23 -3.485 11.501 4.023 1.00 73.35 H new ATOM 351 N LEU A 24 0.619 9.469 2.397 1.00 50.23 N ATOM 352 CA LEU A 24 1.922 9.192 1.805 1.00 1.53 C ATOM 353 C LEU A 24 1.853 9.254 0.282 1.00 51.52 C ATOM 354 O LEU A 24 0.857 8.857 -0.321 1.00 74.31 O ATOM 355 CB LEU A 24 2.423 7.815 2.248 1.00 55.45 C ATOM 356 CG LEU A 24 3.817 7.778 2.875 1.00 72.03 C ATOM 357 CD1 LEU A 24 4.165 6.367 3.321 1.00 24.31 C ATOM 358 CD2 LEU A 24 4.857 8.300 1.894 1.00 73.54 C ATOM 0 H LEU A 24 -0.102 8.786 2.167 1.00 50.23 H new ATOM 0 HA LEU A 24 2.620 9.955 2.150 1.00 1.53 H new ATOM 0 HB2 LEU A 24 1.712 7.406 2.966 1.00 55.45 H new ATOM 0 HB3 LEU A 24 2.418 7.153 1.382 1.00 55.45 H new ATOM 0 HG LEU A 24 3.816 8.425 3.752 1.00 72.03 H new ATOM 0 HD11 LEU A 24 5.161 6.361 3.765 1.00 24.31 H new ATOM 0 HD12 LEU A 24 3.437 6.029 4.058 1.00 24.31 H new ATOM 0 HD13 LEU A 24 4.147 5.699 2.460 1.00 24.31 H new ATOM 0 HD21 LEU A 24 5.843 8.266 2.357 1.00 73.54 H new ATOM 0 HD22 LEU A 24 4.856 7.679 0.998 1.00 73.54 H new ATOM 0 HD23 LEU A 24 4.618 9.329 1.623 1.00 73.54 H new ATOM 370 N ASP A 25 2.920 9.751 -0.333 1.00 54.44 N ATOM 371 CA ASP A 25 2.983 9.862 -1.786 1.00 53.44 C ATOM 372 C ASP A 25 3.296 8.511 -2.421 1.00 54.12 C ATOM 373 O ASP A 25 4.108 7.745 -1.903 1.00 2.32 O ATOM 374 CB ASP A 25 4.040 10.890 -2.195 1.00 73.11 C ATOM 375 CG ASP A 25 5.402 10.585 -1.606 1.00 10.41 C ATOM 376 OD1 ASP A 25 5.541 10.646 -0.366 1.00 52.21 O ATOM 377 OD2 ASP A 25 6.331 10.284 -2.384 1.00 44.51 O ATOM 0 H ASP A 25 3.754 10.084 0.152 1.00 54.44 H new ATOM 0 HA ASP A 25 2.008 10.194 -2.143 1.00 53.44 H new ATOM 0 HB2 ASP A 25 4.115 10.917 -3.282 1.00 73.11 H new ATOM 0 HB3 ASP A 25 3.722 11.882 -1.873 1.00 73.11 H new ATOM 383 N ILE A 26 2.647 8.227 -3.545 1.00 22.15 N ATOM 384 CA ILE A 26 2.856 6.969 -4.250 1.00 1.05 C ATOM 385 C ILE A 26 3.307 7.212 -5.686 1.00 54.32 C ATOM 386 O ILE A 26 3.433 8.356 -6.124 1.00 1.51 O ATOM 387 CB ILE A 26 1.577 6.112 -4.264 1.00 4.30 C ATOM 388 CG1 ILE A 26 0.721 6.452 -5.486 1.00 53.31 C ATOM 389 CG2 ILE A 26 0.786 6.320 -2.982 1.00 32.43 C ATOM 390 CD1 ILE A 26 -0.604 5.724 -5.517 1.00 61.32 C ATOM 0 H ILE A 26 1.972 8.851 -3.987 1.00 22.15 H new ATOM 0 HA ILE A 26 3.637 6.432 -3.712 1.00 1.05 H new ATOM 0 HB ILE A 26 1.862 5.062 -4.325 1.00 4.30 H new ATOM 0 HG12 ILE A 26 0.537 7.526 -5.503 1.00 53.31 H new ATOM 0 HG13 ILE A 26 1.280 6.210 -6.390 1.00 53.31 H new ATOM 0 HG21 ILE A 26 -0.115 5.707 -3.007 1.00 32.43 H new ATOM 0 HG22 ILE A 26 1.397 6.032 -2.127 1.00 32.43 H new ATOM 0 HG23 ILE A 26 0.508 7.370 -2.892 1.00 32.43 H new ATOM 0 HD11 ILE A 26 -1.157 6.014 -6.410 1.00 61.32 H new ATOM 0 HD12 ILE A 26 -0.428 4.648 -5.532 1.00 61.32 H new ATOM 0 HD13 ILE A 26 -1.183 5.985 -4.631 1.00 61.32 H new ATOM 402 N LYS A 27 3.548 6.129 -6.416 1.00 4.11 N ATOM 403 CA LYS A 27 3.982 6.222 -7.805 1.00 44.23 C ATOM 404 C LYS A 27 3.546 4.993 -8.596 1.00 54.41 C ATOM 405 O LYS A 27 3.581 3.872 -8.089 1.00 1.55 O ATOM 406 CB LYS A 27 5.503 6.374 -7.876 1.00 41.33 C ATOM 407 CG LYS A 27 6.028 6.585 -9.286 1.00 1.41 C ATOM 408 CD LYS A 27 5.778 8.004 -9.768 1.00 32.33 C ATOM 409 CE LYS A 27 5.104 8.019 -11.132 1.00 52.23 C ATOM 410 NZ LYS A 27 5.955 8.675 -12.164 1.00 0.35 N ATOM 0 H LYS A 27 3.450 5.175 -6.068 1.00 4.11 H new ATOM 0 HA LYS A 27 3.513 7.101 -8.247 1.00 44.23 H new ATOM 0 HB2 LYS A 27 5.805 7.217 -7.255 1.00 41.33 H new ATOM 0 HB3 LYS A 27 5.969 5.484 -7.453 1.00 41.33 H new ATOM 0 HG2 LYS A 27 7.097 6.374 -9.312 1.00 1.41 H new ATOM 0 HG3 LYS A 27 5.547 5.880 -9.964 1.00 1.41 H new ATOM 0 HD2 LYS A 27 5.153 8.530 -9.046 1.00 32.33 H new ATOM 0 HD3 LYS A 27 6.724 8.543 -9.822 1.00 32.33 H new ATOM 0 HE2 LYS A 27 4.883 6.997 -11.439 1.00 52.23 H new ATOM 0 HE3 LYS A 27 4.151 8.543 -11.060 1.00 52.23 H new ATOM 0 HZ1 LYS A 27 5.461 8.665 -13.079 1.00 0.35 H new ATOM 0 HZ2 LYS A 27 6.145 9.658 -11.884 1.00 0.35 H new ATOM 0 HZ3 LYS A 27 6.854 8.160 -12.251 1.00 0.35 H new ATOM 424 N LYS A 28 3.136 5.211 -9.841 1.00 2.31 N ATOM 425 CA LYS A 28 2.697 4.120 -10.704 1.00 35.43 C ATOM 426 C LYS A 28 3.721 2.991 -10.718 1.00 3.11 C ATOM 427 O LYS A 28 4.904 3.216 -10.968 1.00 70.03 O ATOM 428 CB LYS A 28 2.464 4.631 -12.127 1.00 71.41 C ATOM 429 CG LYS A 28 2.238 3.524 -13.142 1.00 14.24 C ATOM 430 CD LYS A 28 3.156 3.672 -14.343 1.00 73.13 C ATOM 431 CE LYS A 28 2.820 2.662 -15.429 1.00 22.14 C ATOM 432 NZ LYS A 28 2.033 3.276 -16.534 1.00 31.13 N ATOM 0 H LYS A 28 3.098 6.133 -10.275 1.00 2.31 H new ATOM 0 HA LYS A 28 1.760 3.730 -10.307 1.00 35.43 H new ATOM 0 HB2 LYS A 28 1.600 5.296 -12.128 1.00 71.41 H new ATOM 0 HB3 LYS A 28 3.324 5.225 -12.436 1.00 71.41 H new ATOM 0 HG2 LYS A 28 2.408 2.556 -12.670 1.00 14.24 H new ATOM 0 HG3 LYS A 28 1.200 3.539 -13.473 1.00 14.24 H new ATOM 0 HD2 LYS A 28 3.071 4.682 -14.745 1.00 73.13 H new ATOM 0 HD3 LYS A 28 4.191 3.540 -14.029 1.00 73.13 H new ATOM 0 HE2 LYS A 28 3.742 2.240 -15.830 1.00 22.14 H new ATOM 0 HE3 LYS A 28 2.255 1.837 -14.995 1.00 22.14 H new ATOM 0 HZ1 LYS A 28 1.824 2.555 -17.254 1.00 31.13 H new ATOM 0 HZ2 LYS A 28 1.142 3.656 -16.156 1.00 31.13 H new ATOM 0 HZ3 LYS A 28 2.583 4.047 -16.965 1.00 31.13 H new ATOM 446 N ASN A 29 3.257 1.774 -10.451 1.00 0.14 N ATOM 447 CA ASN A 29 4.134 0.609 -10.435 1.00 34.34 C ATOM 448 C ASN A 29 5.127 0.691 -9.278 1.00 30.55 C ATOM 449 O ASN A 29 6.310 0.395 -9.441 1.00 64.33 O ATOM 450 CB ASN A 29 4.888 0.493 -11.761 1.00 23.32 C ATOM 451 CG ASN A 29 4.735 -0.876 -12.395 1.00 41.00 C ATOM 452 OD1 ASN A 29 5.314 -1.857 -11.928 1.00 55.04 O ATOM 453 ND2 ASN A 29 3.954 -0.948 -13.465 1.00 62.24 N ATOM 0 H ASN A 29 2.280 1.569 -10.243 1.00 0.14 H new ATOM 0 HA ASN A 29 3.515 -0.278 -10.298 1.00 34.34 H new ATOM 0 HB2 ASN A 29 4.522 1.253 -12.451 1.00 23.32 H new ATOM 0 HB3 ASN A 29 5.946 0.697 -11.594 1.00 23.32 H new ATOM 0 HD21 ASN A 29 3.814 -1.842 -13.935 1.00 62.24 H new ATOM 0 HD22 ASN A 29 3.494 -0.109 -13.818 1.00 62.24 H new ATOM 460 N GLU A 30 4.634 1.092 -8.110 1.00 70.23 N ATOM 461 CA GLU A 30 5.478 1.213 -6.927 1.00 5.23 C ATOM 462 C GLU A 30 4.983 0.298 -5.811 1.00 1.51 C ATOM 463 O GLU A 30 3.813 0.341 -5.432 1.00 34.25 O ATOM 464 CB GLU A 30 5.507 2.662 -6.439 1.00 64.40 C ATOM 465 CG GLU A 30 6.653 2.962 -5.489 1.00 11.21 C ATOM 466 CD GLU A 30 7.711 3.852 -6.113 1.00 2.21 C ATOM 467 OE1 GLU A 30 8.386 3.395 -7.060 1.00 24.25 O ATOM 468 OE2 GLU A 30 7.864 5.003 -5.657 1.00 72.53 O ATOM 0 H GLU A 30 3.656 1.338 -7.958 1.00 70.23 H new ATOM 0 HA GLU A 30 6.489 0.910 -7.201 1.00 5.23 H new ATOM 0 HB2 GLU A 30 5.578 3.325 -7.301 1.00 64.40 H new ATOM 0 HB3 GLU A 30 4.564 2.887 -5.940 1.00 64.40 H new ATOM 0 HG2 GLU A 30 6.261 3.444 -4.593 1.00 11.21 H new ATOM 0 HG3 GLU A 30 7.112 2.025 -5.172 1.00 11.21 H new ATOM 476 N ARG A 31 5.883 -0.530 -5.289 1.00 54.23 N ATOM 477 CA ARG A 31 5.539 -1.457 -4.217 1.00 61.23 C ATOM 478 C ARG A 31 5.757 -0.812 -2.851 1.00 3.05 C ATOM 479 O ARG A 31 6.778 -0.166 -2.614 1.00 31.43 O ATOM 480 CB ARG A 31 6.374 -2.734 -4.331 1.00 73.35 C ATOM 481 CG ARG A 31 6.347 -3.358 -5.716 1.00 62.22 C ATOM 482 CD ARG A 31 5.222 -4.372 -5.849 1.00 13.44 C ATOM 483 NE ARG A 31 5.692 -5.740 -5.644 1.00 30.12 N ATOM 484 CZ ARG A 31 6.476 -6.384 -6.500 1.00 45.34 C ATOM 485 NH1 ARG A 31 6.877 -5.787 -7.615 1.00 71.12 N ATOM 486 NH2 ARG A 31 6.861 -7.628 -6.244 1.00 50.54 N ATOM 0 H ARG A 31 6.856 -0.578 -5.591 1.00 54.23 H new ATOM 0 HA ARG A 31 4.484 -1.712 -4.314 1.00 61.23 H new ATOM 0 HB2 ARG A 31 7.406 -2.508 -4.064 1.00 73.35 H new ATOM 0 HB3 ARG A 31 6.009 -3.462 -3.607 1.00 73.35 H new ATOM 0 HG2 ARG A 31 6.224 -2.577 -6.466 1.00 62.22 H new ATOM 0 HG3 ARG A 31 7.302 -3.844 -5.916 1.00 62.22 H new ATOM 0 HD2 ARG A 31 4.441 -4.144 -5.124 1.00 13.44 H new ATOM 0 HD3 ARG A 31 4.773 -4.287 -6.838 1.00 13.44 H new ATOM 0 HE ARG A 31 5.402 -6.227 -4.796 1.00 30.12 H new ATOM 0 HH11 ARG A 31 6.583 -4.831 -7.816 1.00 71.12 H new ATOM 0 HH12 ARG A 31 7.479 -6.284 -8.271 1.00 71.12 H new ATOM 0 HH21 ARG A 31 6.554 -8.091 -5.388 1.00 50.54 H new ATOM 0 HH22 ARG A 31 7.463 -8.121 -6.903 1.00 50.54 H new ATOM 500 N LEU A 32 4.791 -0.995 -1.957 1.00 41.04 N ATOM 501 CA LEU A 32 4.877 -0.431 -0.614 1.00 11.23 C ATOM 502 C LEU A 32 4.580 -1.492 0.441 1.00 13.51 C ATOM 503 O LEU A 32 4.030 -2.550 0.135 1.00 44.42 O ATOM 504 CB LEU A 32 3.902 0.738 -0.467 1.00 32.12 C ATOM 505 CG LEU A 32 4.270 2.017 -1.217 1.00 63.35 C ATOM 506 CD1 LEU A 32 5.571 2.594 -0.684 1.00 54.31 C ATOM 507 CD2 LEU A 32 4.375 1.748 -2.711 1.00 44.44 C ATOM 0 H LEU A 32 3.941 -1.529 -2.137 1.00 41.04 H new ATOM 0 HA LEU A 32 5.894 -0.069 -0.463 1.00 11.23 H new ATOM 0 HB2 LEU A 32 2.920 0.411 -0.808 1.00 32.12 H new ATOM 0 HB3 LEU A 32 3.809 0.976 0.593 1.00 32.12 H new ATOM 0 HG LEU A 32 3.480 2.750 -1.055 1.00 63.35 H new ATOM 0 HD11 LEU A 32 5.816 3.504 -1.231 1.00 54.31 H new ATOM 0 HD12 LEU A 32 5.459 2.826 0.375 1.00 54.31 H new ATOM 0 HD13 LEU A 32 6.372 1.866 -0.814 1.00 54.31 H new ATOM 0 HD21 LEU A 32 4.638 2.670 -3.229 1.00 44.44 H new ATOM 0 HD22 LEU A 32 5.145 0.998 -2.892 1.00 44.44 H new ATOM 0 HD23 LEU A 32 3.418 1.383 -3.083 1.00 44.44 H new ATOM 519 N TRP A 33 4.947 -1.201 1.684 1.00 31.02 N ATOM 520 CA TRP A 33 4.718 -2.130 2.785 1.00 35.12 C ATOM 521 C TRP A 33 3.417 -1.804 3.511 1.00 52.42 C ATOM 522 O TRP A 33 3.286 -0.744 4.126 1.00 43.25 O ATOM 523 CB TRP A 33 5.889 -2.086 3.768 1.00 42.25 C ATOM 524 CG TRP A 33 7.191 -2.512 3.160 1.00 2.31 C ATOM 525 CD1 TRP A 33 7.721 -3.771 3.155 1.00 23.45 C ATOM 526 CD2 TRP A 33 8.128 -1.679 2.469 1.00 73.20 C ATOM 527 NE1 TRP A 33 8.930 -3.770 2.503 1.00 35.02 N ATOM 528 CE2 TRP A 33 9.202 -2.499 2.072 1.00 1.00 C ATOM 529 CE3 TRP A 33 8.163 -0.319 2.145 1.00 1.34 C ATOM 530 CZ2 TRP A 33 10.298 -2.003 1.370 1.00 31.14 C ATOM 531 CZ3 TRP A 33 9.251 0.172 1.449 1.00 3.13 C ATOM 532 CH2 TRP A 33 10.306 -0.669 1.066 1.00 72.42 C ATOM 0 H TRP A 33 5.404 -0.330 1.955 1.00 31.02 H new ATOM 0 HA TRP A 33 4.639 -3.134 2.369 1.00 35.12 H new ATOM 0 HB2 TRP A 33 5.991 -1.072 4.155 1.00 42.25 H new ATOM 0 HB3 TRP A 33 5.665 -2.731 4.618 1.00 42.25 H new ATOM 0 HD1 TRP A 33 7.257 -4.640 3.599 1.00 23.45 H new ATOM 0 HE1 TRP A 33 9.528 -4.584 2.363 1.00 35.02 H new ATOM 0 HE3 TRP A 33 7.354 0.336 2.434 1.00 1.34 H new ATOM 0 HZ2 TRP A 33 11.113 -2.648 1.076 1.00 31.14 H new ATOM 0 HZ3 TRP A 33 9.290 1.221 1.196 1.00 3.13 H new ATOM 0 HH2 TRP A 33 11.141 -0.255 0.520 1.00 72.42 H new ATOM 543 N LEU A 34 2.458 -2.719 3.438 1.00 61.43 N ATOM 544 CA LEU A 34 1.167 -2.529 4.088 1.00 34.32 C ATOM 545 C LEU A 34 1.272 -2.773 5.590 1.00 41.14 C ATOM 546 O LEU A 34 1.883 -3.747 6.030 1.00 3.42 O ATOM 547 CB LEU A 34 0.123 -3.467 3.479 1.00 13.54 C ATOM 548 CG LEU A 34 -1.306 -3.310 4.002 1.00 65.12 C ATOM 549 CD1 LEU A 34 -1.877 -1.962 3.594 1.00 74.13 C ATOM 550 CD2 LEU A 34 -2.187 -4.442 3.490 1.00 73.44 C ATOM 0 H LEU A 34 2.550 -3.601 2.934 1.00 61.43 H new ATOM 0 HA LEU A 34 0.856 -1.497 3.927 1.00 34.32 H new ATOM 0 HB2 LEU A 34 0.112 -3.315 2.400 1.00 13.54 H new ATOM 0 HB3 LEU A 34 0.442 -4.495 3.653 1.00 13.54 H new ATOM 0 HG LEU A 34 -1.283 -3.357 5.091 1.00 65.12 H new ATOM 0 HD11 LEU A 34 -2.894 -1.867 3.974 1.00 74.13 H new ATOM 0 HD12 LEU A 34 -1.259 -1.165 4.008 1.00 74.13 H new ATOM 0 HD13 LEU A 34 -1.888 -1.885 2.507 1.00 74.13 H new ATOM 0 HD21 LEU A 34 -3.200 -4.315 3.871 1.00 73.44 H new ATOM 0 HD22 LEU A 34 -2.205 -4.425 2.400 1.00 73.44 H new ATOM 0 HD23 LEU A 34 -1.788 -5.397 3.832 1.00 73.44 H new ATOM 562 N LEU A 35 0.671 -1.882 6.373 1.00 42.20 N ATOM 563 CA LEU A 35 0.696 -2.002 7.826 1.00 32.13 C ATOM 564 C LEU A 35 -0.713 -2.185 8.381 1.00 13.55 C ATOM 565 O LEU A 35 -1.019 -3.202 9.004 1.00 2.41 O ATOM 566 CB LEU A 35 1.344 -0.764 8.449 1.00 41.55 C ATOM 567 CG LEU A 35 2.767 -0.448 7.987 1.00 43.43 C ATOM 568 CD1 LEU A 35 3.123 0.996 8.303 1.00 42.43 C ATOM 569 CD2 LEU A 35 3.763 -1.399 8.636 1.00 32.10 C ATOM 0 H LEU A 35 0.161 -1.070 6.025 1.00 42.20 H new ATOM 0 HA LEU A 35 1.286 -2.882 8.083 1.00 32.13 H new ATOM 0 HB2 LEU A 35 0.713 0.099 8.234 1.00 41.55 H new ATOM 0 HB3 LEU A 35 1.354 -0.890 9.532 1.00 41.55 H new ATOM 0 HG LEU A 35 2.816 -0.585 6.907 1.00 43.43 H new ATOM 0 HD11 LEU A 35 4.139 1.202 7.967 1.00 42.43 H new ATOM 0 HD12 LEU A 35 2.429 1.662 7.791 1.00 42.43 H new ATOM 0 HD13 LEU A 35 3.056 1.160 9.378 1.00 42.43 H new ATOM 0 HD21 LEU A 35 4.770 -1.159 8.295 1.00 32.10 H new ATOM 0 HD22 LEU A 35 3.712 -1.295 9.720 1.00 32.10 H new ATOM 0 HD23 LEU A 35 3.521 -2.425 8.358 1.00 32.10 H new ATOM 581 N ASP A 36 -1.567 -1.195 8.149 1.00 34.23 N ATOM 582 CA ASP A 36 -2.946 -1.248 8.624 1.00 1.12 C ATOM 583 C ASP A 36 -3.925 -1.119 7.462 1.00 63.20 C ATOM 584 O ASP A 36 -4.041 -0.057 6.848 1.00 13.34 O ATOM 585 CB ASP A 36 -3.199 -0.139 9.646 1.00 64.41 C ATOM 586 CG ASP A 36 -3.528 -0.684 11.022 1.00 43.13 C ATOM 587 OD1 ASP A 36 -2.734 -0.451 11.958 1.00 35.41 O ATOM 588 OD2 ASP A 36 -4.579 -1.343 11.163 1.00 73.44 O ATOM 0 H ASP A 36 -1.330 -0.346 7.635 1.00 34.23 H new ATOM 0 HA ASP A 36 -3.103 -2.215 9.103 1.00 1.12 H new ATOM 0 HB2 ASP A 36 -2.317 0.498 9.712 1.00 64.41 H new ATOM 0 HB3 ASP A 36 -4.021 0.489 9.301 1.00 64.41 H new ATOM 594 N ASP A 37 -4.628 -2.206 7.163 1.00 11.23 N ATOM 595 CA ASP A 37 -5.597 -2.215 6.074 1.00 33.15 C ATOM 596 C ASP A 37 -7.001 -2.499 6.599 1.00 61.11 C ATOM 597 O ASP A 37 -7.792 -3.181 5.947 1.00 33.41 O ATOM 598 CB ASP A 37 -5.211 -3.259 5.026 1.00 11.33 C ATOM 599 CG ASP A 37 -4.879 -4.605 5.643 1.00 74.44 C ATOM 600 OD1 ASP A 37 -5.629 -5.572 5.395 1.00 23.22 O ATOM 601 OD2 ASP A 37 -3.871 -4.689 6.374 1.00 14.13 O ATOM 0 H ASP A 37 -4.545 -3.093 7.660 1.00 11.23 H new ATOM 0 HA ASP A 37 -5.593 -1.229 5.610 1.00 33.15 H new ATOM 0 HB2 ASP A 37 -6.031 -3.380 4.318 1.00 11.33 H new ATOM 0 HB3 ASP A 37 -4.351 -2.900 4.460 1.00 11.33 H new ATOM 607 N SER A 38 -7.303 -1.973 7.782 1.00 5.35 N ATOM 608 CA SER A 38 -8.610 -2.174 8.397 1.00 2.53 C ATOM 609 C SER A 38 -9.498 -0.950 8.201 1.00 44.23 C ATOM 610 O SER A 38 -10.676 -1.069 7.863 1.00 15.24 O ATOM 611 CB SER A 38 -8.454 -2.472 9.889 1.00 14.43 C ATOM 612 OG SER A 38 -9.428 -3.402 10.330 1.00 24.41 O ATOM 0 H SER A 38 -6.660 -1.405 8.334 1.00 5.35 H new ATOM 0 HA SER A 38 -9.085 -3.026 7.911 1.00 2.53 H new ATOM 0 HB2 SER A 38 -7.457 -2.867 10.081 1.00 14.43 H new ATOM 0 HB3 SER A 38 -8.546 -1.547 10.459 1.00 14.43 H new ATOM 0 HG SER A 38 -9.305 -3.576 11.286 1.00 24.41 H new ATOM 618 N LYS A 39 -8.923 0.229 8.414 1.00 62.12 N ATOM 619 CA LYS A 39 -9.659 1.479 8.259 1.00 33.12 C ATOM 620 C LYS A 39 -9.858 1.814 6.785 1.00 65.41 C ATOM 621 O LYS A 39 -9.086 1.382 5.930 1.00 51.33 O ATOM 622 CB LYS A 39 -8.918 2.621 8.957 1.00 51.32 C ATOM 623 CG LYS A 39 -9.087 2.624 10.467 1.00 61.50 C ATOM 624 CD LYS A 39 -8.367 1.452 11.112 1.00 51.22 C ATOM 625 CE LYS A 39 -8.574 1.432 12.619 1.00 63.14 C ATOM 626 NZ LYS A 39 -9.177 0.150 13.079 1.00 61.24 N ATOM 0 H LYS A 39 -7.949 0.345 8.695 1.00 62.12 H new ATOM 0 HA LYS A 39 -10.639 1.354 8.720 1.00 33.12 H new ATOM 0 HB2 LYS A 39 -7.856 2.553 8.719 1.00 51.32 H new ATOM 0 HB3 LYS A 39 -9.274 3.571 8.558 1.00 51.32 H new ATOM 0 HG2 LYS A 39 -8.701 3.558 10.875 1.00 61.50 H new ATOM 0 HG3 LYS A 39 -10.148 2.582 10.715 1.00 61.50 H new ATOM 0 HD2 LYS A 39 -8.730 0.519 10.681 1.00 51.22 H new ATOM 0 HD3 LYS A 39 -7.301 1.512 10.891 1.00 51.22 H new ATOM 0 HE2 LYS A 39 -7.617 1.583 13.119 1.00 63.14 H new ATOM 0 HE3 LYS A 39 -9.220 2.261 12.908 1.00 63.14 H new ATOM 0 HZ1 LYS A 39 -9.302 0.176 14.111 1.00 61.24 H new ATOM 0 HZ2 LYS A 39 -10.101 0.017 12.621 1.00 61.24 H new ATOM 0 HZ3 LYS A 39 -8.549 -0.639 12.826 1.00 61.24 H new ATOM 640 N SER A 40 -10.899 2.588 6.494 1.00 35.12 N ATOM 641 CA SER A 40 -11.201 2.979 5.123 1.00 71.44 C ATOM 642 C SER A 40 -9.920 3.181 4.320 1.00 0.02 C ATOM 643 O SER A 40 -9.698 2.516 3.308 1.00 54.05 O ATOM 644 CB SER A 40 -12.033 4.264 5.107 1.00 11.44 C ATOM 645 OG SER A 40 -12.853 4.327 3.955 1.00 63.05 O ATOM 0 H SER A 40 -11.547 2.956 7.190 1.00 35.12 H new ATOM 0 HA SER A 40 -11.776 2.176 4.662 1.00 71.44 H new ATOM 0 HB2 SER A 40 -12.654 4.310 6.002 1.00 11.44 H new ATOM 0 HB3 SER A 40 -11.371 5.130 5.134 1.00 11.44 H new ATOM 0 HG SER A 40 -13.375 5.156 3.970 1.00 63.05 H new ATOM 651 N TRP A 41 -9.080 4.102 4.780 1.00 1.20 N ATOM 652 CA TRP A 41 -7.820 4.392 4.105 1.00 4.15 C ATOM 653 C TRP A 41 -6.769 3.337 4.439 1.00 70.21 C ATOM 654 O TRP A 41 -6.487 3.079 5.608 1.00 12.32 O ATOM 655 CB TRP A 41 -7.312 5.779 4.502 1.00 22.13 C ATOM 656 CG TRP A 41 -8.116 6.897 3.910 1.00 63.03 C ATOM 657 CD1 TRP A 41 -9.407 7.225 4.208 1.00 62.03 C ATOM 658 CD2 TRP A 41 -7.681 7.832 2.916 1.00 13.44 C ATOM 659 NE1 TRP A 41 -9.802 8.308 3.459 1.00 53.32 N ATOM 660 CE2 TRP A 41 -8.760 8.699 2.660 1.00 73.03 C ATOM 661 CE3 TRP A 41 -6.485 8.021 2.220 1.00 0.41 C ATOM 662 CZ2 TRP A 41 -8.676 9.738 1.737 1.00 71.43 C ATOM 663 CZ3 TRP A 41 -6.403 9.052 1.303 1.00 1.55 C ATOM 664 CH2 TRP A 41 -7.493 9.900 1.068 1.00 12.23 C ATOM 0 H TRP A 41 -9.249 4.660 5.617 1.00 1.20 H new ATOM 0 HA TRP A 41 -7.999 4.373 3.030 1.00 4.15 H new ATOM 0 HB2 TRP A 41 -7.326 5.866 5.588 1.00 22.13 H new ATOM 0 HB3 TRP A 41 -6.273 5.882 4.188 1.00 22.13 H new ATOM 0 HD1 TRP A 41 -10.027 6.710 4.927 1.00 62.03 H new ATOM 0 HE1 TRP A 41 -10.721 8.749 3.493 1.00 53.32 H new ATOM 0 HE3 TRP A 41 -5.639 7.373 2.395 1.00 0.41 H new ATOM 0 HZ2 TRP A 41 -9.515 10.393 1.555 1.00 71.43 H new ATOM 0 HZ3 TRP A 41 -5.483 9.206 0.759 1.00 1.55 H new ATOM 0 HH2 TRP A 41 -7.398 10.697 0.345 1.00 12.23 H new ATOM 675 N TRP A 42 -6.195 2.733 3.405 1.00 60.14 N ATOM 676 CA TRP A 42 -5.175 1.708 3.589 1.00 15.24 C ATOM 677 C TRP A 42 -3.829 2.335 3.935 1.00 45.33 C ATOM 678 O TRP A 42 -3.215 3.006 3.105 1.00 41.12 O ATOM 679 CB TRP A 42 -5.046 0.855 2.327 1.00 3.14 C ATOM 680 CG TRP A 42 -5.979 -0.317 2.303 1.00 32.01 C ATOM 681 CD1 TRP A 42 -7.141 -0.454 3.009 1.00 4.11 C ATOM 682 CD2 TRP A 42 -5.829 -1.518 1.537 1.00 40.13 C ATOM 683 NE1 TRP A 42 -7.722 -1.667 2.727 1.00 2.44 N ATOM 684 CE2 TRP A 42 -6.936 -2.338 1.827 1.00 33.43 C ATOM 685 CE3 TRP A 42 -4.868 -1.978 0.634 1.00 61.01 C ATOM 686 CZ2 TRP A 42 -7.107 -3.592 1.245 1.00 72.14 C ATOM 687 CZ3 TRP A 42 -5.037 -3.223 0.057 1.00 31.23 C ATOM 688 CH2 TRP A 42 -6.150 -4.018 0.364 1.00 62.22 C ATOM 0 H TRP A 42 -6.419 2.935 2.431 1.00 60.14 H new ATOM 0 HA TRP A 42 -5.481 1.071 4.419 1.00 15.24 H new ATOM 0 HB2 TRP A 42 -5.237 1.480 1.454 1.00 3.14 H new ATOM 0 HB3 TRP A 42 -4.020 0.495 2.244 1.00 3.14 H new ATOM 0 HD1 TRP A 42 -7.543 0.283 3.689 1.00 4.11 H new ATOM 0 HE1 TRP A 42 -8.596 -2.012 3.123 1.00 2.44 H new ATOM 0 HE3 TRP A 42 -4.008 -1.372 0.391 1.00 61.01 H new ATOM 0 HZ2 TRP A 42 -7.964 -4.206 1.480 1.00 72.14 H new ATOM 0 HZ3 TRP A 42 -4.299 -3.589 -0.642 1.00 31.23 H new ATOM 0 HH2 TRP A 42 -6.254 -4.986 -0.104 1.00 62.22 H new ATOM 699 N ARG A 43 -3.374 2.111 5.164 1.00 45.31 N ATOM 700 CA ARG A 43 -2.100 2.656 5.617 1.00 12.13 C ATOM 701 C ARG A 43 -0.936 1.816 5.102 1.00 45.30 C ATOM 702 O ARG A 43 -0.912 0.597 5.272 1.00 4.11 O ATOM 703 CB ARG A 43 -2.063 2.715 7.146 1.00 62.15 C ATOM 704 CG ARG A 43 -0.692 3.053 7.708 1.00 2.34 C ATOM 705 CD ARG A 43 -0.777 3.482 9.164 1.00 33.11 C ATOM 706 NE ARG A 43 0.442 4.152 9.610 1.00 62.01 N ATOM 707 CZ ARG A 43 0.696 4.447 10.880 1.00 71.10 C ATOM 708 NH1 ARG A 43 -0.180 4.134 11.825 1.00 1.34 N ATOM 709 NH2 ARG A 43 1.828 5.058 11.207 1.00 23.02 N ATOM 0 H ARG A 43 -3.868 1.556 5.863 1.00 45.31 H new ATOM 0 HA ARG A 43 -2.002 3.665 5.218 1.00 12.13 H new ATOM 0 HB2 ARG A 43 -2.781 3.459 7.490 1.00 62.15 H new ATOM 0 HB3 ARG A 43 -2.384 1.753 7.546 1.00 62.15 H new ATOM 0 HG2 ARG A 43 -0.038 2.185 7.621 1.00 2.34 H new ATOM 0 HG3 ARG A 43 -0.243 3.852 7.118 1.00 2.34 H new ATOM 0 HD2 ARG A 43 -1.627 4.151 9.296 1.00 33.11 H new ATOM 0 HD3 ARG A 43 -0.960 2.608 9.789 1.00 33.11 H new ATOM 0 HE ARG A 43 1.136 4.407 8.908 1.00 62.01 H new ATOM 0 HH11 ARG A 43 -1.052 3.665 11.578 1.00 1.34 H new ATOM 0 HH12 ARG A 43 0.018 4.362 12.799 1.00 1.34 H new ATOM 0 HH21 ARG A 43 2.504 5.301 10.483 1.00 23.02 H new ATOM 0 HH22 ARG A 43 2.022 5.284 12.182 1.00 23.02 H new ATOM 723 N VAL A 44 0.030 2.476 4.471 1.00 41.54 N ATOM 724 CA VAL A 44 1.199 1.791 3.931 1.00 74.43 C ATOM 725 C VAL A 44 2.487 2.487 4.354 1.00 42.34 C ATOM 726 O VAL A 44 2.456 3.523 5.019 1.00 4.50 O ATOM 727 CB VAL A 44 1.146 1.720 2.393 1.00 51.42 C ATOM 728 CG1 VAL A 44 -0.117 1.009 1.934 1.00 0.42 C ATOM 729 CG2 VAL A 44 1.230 3.116 1.793 1.00 0.10 C ATOM 0 H VAL A 44 0.026 3.485 4.321 1.00 41.54 H new ATOM 0 HA VAL A 44 1.188 0.778 4.334 1.00 74.43 H new ATOM 0 HB VAL A 44 2.004 1.146 2.043 1.00 51.42 H new ATOM 0 HG11 VAL A 44 -0.137 0.969 0.845 1.00 0.42 H new ATOM 0 HG12 VAL A 44 -0.130 -0.005 2.335 1.00 0.42 H new ATOM 0 HG13 VAL A 44 -0.991 1.552 2.293 1.00 0.42 H new ATOM 0 HG21 VAL A 44 1.191 3.048 0.706 1.00 0.10 H new ATOM 0 HG22 VAL A 44 0.393 3.716 2.149 1.00 0.10 H new ATOM 0 HG23 VAL A 44 2.167 3.586 2.094 1.00 0.10 H new ATOM 739 N ARG A 45 3.620 1.912 3.962 1.00 64.21 N ATOM 740 CA ARG A 45 4.921 2.476 4.300 1.00 73.50 C ATOM 741 C ARG A 45 5.799 2.600 3.059 1.00 53.35 C ATOM 742 O ARG A 45 5.716 1.783 2.144 1.00 42.50 O ATOM 743 CB ARG A 45 5.620 1.609 5.349 1.00 60.43 C ATOM 744 CG ARG A 45 6.533 2.392 6.277 1.00 73.40 C ATOM 745 CD ARG A 45 7.494 1.476 7.018 1.00 33.42 C ATOM 746 NE ARG A 45 8.791 1.392 6.355 1.00 3.20 N ATOM 747 CZ ARG A 45 9.890 0.935 6.944 1.00 53.00 C ATOM 748 NH1 ARG A 45 9.848 0.522 8.204 1.00 64.11 N ATOM 749 NH2 ARG A 45 11.034 0.889 6.274 1.00 53.21 N ATOM 0 H ARG A 45 3.663 1.055 3.410 1.00 64.21 H new ATOM 0 HA ARG A 45 4.761 3.473 4.711 1.00 73.50 H new ATOM 0 HB2 ARG A 45 4.865 1.095 5.944 1.00 60.43 H new ATOM 0 HB3 ARG A 45 6.204 0.841 4.842 1.00 60.43 H new ATOM 0 HG2 ARG A 45 7.098 3.124 5.700 1.00 73.40 H new ATOM 0 HG3 ARG A 45 5.932 2.948 6.996 1.00 73.40 H new ATOM 0 HD2 ARG A 45 7.630 1.841 8.036 1.00 33.42 H new ATOM 0 HD3 ARG A 45 7.060 0.479 7.092 1.00 33.42 H new ATOM 0 HE ARG A 45 8.857 1.701 5.385 1.00 3.20 H new ATOM 0 HH11 ARG A 45 8.970 0.555 8.723 1.00 64.11 H new ATOM 0 HH12 ARG A 45 10.693 0.171 8.654 1.00 64.11 H new ATOM 0 HH21 ARG A 45 11.070 1.205 5.305 1.00 53.21 H new ATOM 0 HH22 ARG A 45 11.877 0.538 6.728 1.00 53.21 H new ATOM 763 N ASN A 46 6.640 3.630 3.036 1.00 24.23 N ATOM 764 CA ASN A 46 7.533 3.861 1.906 1.00 54.23 C ATOM 765 C ASN A 46 8.959 3.434 2.244 1.00 53.23 C ATOM 766 O ASN A 46 9.267 3.115 3.393 1.00 62.45 O ATOM 767 CB ASN A 46 7.512 5.338 1.507 1.00 14.52 C ATOM 768 CG ASN A 46 7.986 5.559 0.084 1.00 62.15 C ATOM 769 OD1 ASN A 46 9.175 5.439 -0.212 1.00 45.34 O ATOM 770 ND2 ASN A 46 7.055 5.885 -0.806 1.00 12.05 N ATOM 0 H ASN A 46 6.721 4.317 3.786 1.00 24.23 H new ATOM 0 HA ASN A 46 7.181 3.260 1.067 1.00 54.23 H new ATOM 0 HB2 ASN A 46 6.499 5.726 1.614 1.00 14.52 H new ATOM 0 HB3 ASN A 46 8.144 5.905 2.190 1.00 14.52 H new ATOM 0 HD21 ASN A 46 7.314 6.047 -1.779 1.00 12.05 H new ATOM 0 HD22 ASN A 46 6.081 5.973 -0.516 1.00 12.05 H new ATOM 777 N SER A 47 9.824 3.433 1.235 1.00 1.33 N ATOM 778 CA SER A 47 11.217 3.042 1.424 1.00 60.34 C ATOM 779 C SER A 47 11.950 4.052 2.302 1.00 3.43 C ATOM 780 O SER A 47 13.000 3.751 2.868 1.00 10.22 O ATOM 781 CB SER A 47 11.922 2.919 0.071 1.00 35.21 C ATOM 782 OG SER A 47 12.238 4.195 -0.458 1.00 33.25 O ATOM 0 H SER A 47 9.586 3.698 0.279 1.00 1.33 H new ATOM 0 HA SER A 47 11.233 2.073 1.924 1.00 60.34 H new ATOM 0 HB2 SER A 47 12.834 2.333 0.185 1.00 35.21 H new ATOM 0 HB3 SER A 47 11.282 2.380 -0.628 1.00 35.21 H new ATOM 0 HG SER A 47 11.431 4.751 -0.476 1.00 33.25 H new ATOM 788 N MET A 48 11.388 5.251 2.410 1.00 71.52 N ATOM 789 CA MET A 48 11.986 6.306 3.220 1.00 24.23 C ATOM 790 C MET A 48 11.612 6.141 4.690 1.00 2.40 C ATOM 791 O MET A 48 11.855 7.030 5.504 1.00 12.51 O ATOM 792 CB MET A 48 11.538 7.680 2.718 1.00 20.55 C ATOM 793 CG MET A 48 12.298 8.156 1.491 1.00 74.00 C ATOM 794 SD MET A 48 13.567 9.373 1.889 1.00 73.52 S ATOM 795 CE MET A 48 14.950 8.305 2.282 1.00 22.41 C ATOM 0 H MET A 48 10.519 5.517 1.947 1.00 71.52 H new ATOM 0 HA MET A 48 13.070 6.230 3.129 1.00 24.23 H new ATOM 0 HB2 MET A 48 10.474 7.643 2.485 1.00 20.55 H new ATOM 0 HB3 MET A 48 11.664 8.409 3.519 1.00 20.55 H new ATOM 0 HG2 MET A 48 12.762 7.300 1.001 1.00 74.00 H new ATOM 0 HG3 MET A 48 11.596 8.589 0.779 1.00 74.00 H new ATOM 0 HE1 MET A 48 15.865 8.895 2.323 1.00 22.41 H new ATOM 0 HE2 MET A 48 14.780 7.831 3.249 1.00 22.41 H new ATOM 0 HE3 MET A 48 15.047 7.538 1.514 1.00 22.41 H new ATOM 805 N ASN A 49 11.021 4.998 5.021 1.00 23.32 N ATOM 806 CA ASN A 49 10.613 4.718 6.393 1.00 24.34 C ATOM 807 C ASN A 49 9.365 5.514 6.762 1.00 52.34 C ATOM 808 O ASN A 49 8.811 5.352 7.849 1.00 32.54 O ATOM 809 CB ASN A 49 11.749 5.049 7.362 1.00 71.42 C ATOM 810 CG ASN A 49 11.346 6.088 8.391 1.00 51.24 C ATOM 811 OD1 ASN A 49 11.444 5.856 9.596 1.00 23.45 O ATOM 812 ND2 ASN A 49 10.891 7.243 7.918 1.00 52.51 N ATOM 0 H ASN A 49 10.814 4.251 4.358 1.00 23.32 H new ATOM 0 HA ASN A 49 10.380 3.656 6.467 1.00 24.34 H new ATOM 0 HB2 ASN A 49 12.064 4.139 7.873 1.00 71.42 H new ATOM 0 HB3 ASN A 49 12.609 5.413 6.799 1.00 71.42 H new ATOM 0 HD21 ASN A 49 10.606 7.981 8.562 1.00 52.51 H new ATOM 0 HD22 ASN A 49 10.827 7.392 6.911 1.00 52.51 H new ATOM 819 N LYS A 50 8.927 6.375 5.850 1.00 12.43 N ATOM 820 CA LYS A 50 7.744 7.195 6.078 1.00 60.43 C ATOM 821 C LYS A 50 6.472 6.363 5.954 1.00 41.12 C ATOM 822 O LYS A 50 6.452 5.337 5.273 1.00 2.10 O ATOM 823 CB LYS A 50 7.704 8.357 5.082 1.00 62.04 C ATOM 824 CG LYS A 50 9.033 9.079 4.937 1.00 61.41 C ATOM 825 CD LYS A 50 9.123 9.819 3.612 1.00 13.43 C ATOM 826 CE LYS A 50 8.622 11.250 3.738 1.00 2.41 C ATOM 827 NZ LYS A 50 7.546 11.548 2.755 1.00 64.44 N ATOM 0 H LYS A 50 9.374 6.523 4.945 1.00 12.43 H new ATOM 0 HA LYS A 50 7.799 7.593 7.091 1.00 60.43 H new ATOM 0 HB2 LYS A 50 7.397 7.979 4.107 1.00 62.04 H new ATOM 0 HB3 LYS A 50 6.945 9.071 5.400 1.00 62.04 H new ATOM 0 HG2 LYS A 50 9.156 9.785 5.758 1.00 61.41 H new ATOM 0 HG3 LYS A 50 9.849 8.360 5.010 1.00 61.41 H new ATOM 0 HD2 LYS A 50 10.157 9.823 3.266 1.00 13.43 H new ATOM 0 HD3 LYS A 50 8.537 9.292 2.859 1.00 13.43 H new ATOM 0 HE2 LYS A 50 8.248 11.416 4.748 1.00 2.41 H new ATOM 0 HE3 LYS A 50 9.452 11.940 3.588 1.00 2.41 H new ATOM 0 HZ1 LYS A 50 7.231 12.532 2.873 1.00 64.44 H new ATOM 0 HZ2 LYS A 50 7.910 11.414 1.790 1.00 64.44 H new ATOM 0 HZ3 LYS A 50 6.743 10.906 2.914 1.00 64.44 H new ATOM 841 N THR A 51 5.409 6.811 6.616 1.00 43.23 N ATOM 842 CA THR A 51 4.134 6.107 6.580 1.00 71.24 C ATOM 843 C THR A 51 2.972 7.083 6.424 1.00 62.13 C ATOM 844 O THR A 51 3.024 8.209 6.918 1.00 5.52 O ATOM 845 CB THR A 51 3.918 5.269 7.853 1.00 13.43 C ATOM 846 OG1 THR A 51 5.180 4.955 8.453 1.00 64.11 O ATOM 847 CG2 THR A 51 3.168 3.985 7.535 1.00 45.31 C ATOM 0 H THR A 51 5.407 7.659 7.183 1.00 43.23 H new ATOM 0 HA THR A 51 4.165 5.441 5.718 1.00 71.24 H new ATOM 0 HB THR A 51 3.321 5.856 8.551 1.00 13.43 H new ATOM 0 HG1 THR A 51 5.034 4.423 9.263 1.00 64.11 H new ATOM 0 HG21 THR A 51 3.027 3.410 8.450 1.00 45.31 H new ATOM 0 HG22 THR A 51 2.196 4.228 7.106 1.00 45.31 H new ATOM 0 HG23 THR A 51 3.743 3.395 6.821 1.00 45.31 H new ATOM 855 N GLY A 52 1.924 6.643 5.735 1.00 42.25 N ATOM 856 CA GLY A 52 0.764 7.490 5.527 1.00 11.13 C ATOM 857 C GLY A 52 -0.446 6.710 5.052 1.00 12.20 C ATOM 858 O GLY A 52 -0.337 5.535 4.702 1.00 64.21 O ATOM 0 H GLY A 52 1.857 5.715 5.317 1.00 42.25 H new ATOM 0 HA2 GLY A 52 0.520 8.002 6.458 1.00 11.13 H new ATOM 0 HA3 GLY A 52 1.007 8.260 4.794 1.00 11.13 H new ATOM 862 N PHE A 53 -1.603 7.364 5.042 1.00 12.12 N ATOM 863 CA PHE A 53 -2.839 6.723 4.609 1.00 54.14 C ATOM 864 C PHE A 53 -3.096 6.981 3.127 1.00 52.55 C ATOM 865 O PHE A 53 -2.906 8.095 2.637 1.00 33.14 O ATOM 866 CB PHE A 53 -4.020 7.233 5.438 1.00 13.20 C ATOM 867 CG PHE A 53 -4.298 6.402 6.659 1.00 44.43 C ATOM 868 CD1 PHE A 53 -4.821 5.125 6.539 1.00 65.03 C ATOM 869 CD2 PHE A 53 -4.035 6.899 7.925 1.00 24.03 C ATOM 870 CE1 PHE A 53 -5.079 4.359 7.659 1.00 12.41 C ATOM 871 CE2 PHE A 53 -4.290 6.137 9.050 1.00 1.15 C ATOM 872 CZ PHE A 53 -4.811 4.864 8.917 1.00 73.11 C ATOM 0 H PHE A 53 -1.710 8.337 5.329 1.00 12.12 H new ATOM 0 HA PHE A 53 -2.734 5.649 4.760 1.00 54.14 H new ATOM 0 HB2 PHE A 53 -3.822 8.260 5.745 1.00 13.20 H new ATOM 0 HB3 PHE A 53 -4.912 7.254 4.811 1.00 13.20 H new ATOM 0 HD1 PHE A 53 -5.029 4.724 5.558 1.00 65.03 H new ATOM 0 HD2 PHE A 53 -3.626 7.893 8.034 1.00 24.03 H new ATOM 0 HE1 PHE A 53 -5.490 3.366 7.552 1.00 12.41 H new ATOM 0 HE2 PHE A 53 -4.082 6.536 10.032 1.00 1.15 H new ATOM 0 HZ PHE A 53 -5.008 4.265 9.794 1.00 73.11 H new ATOM 882 N VAL A 54 -3.527 5.943 2.418 1.00 45.35 N ATOM 883 CA VAL A 54 -3.810 6.057 0.992 1.00 52.30 C ATOM 884 C VAL A 54 -4.967 5.151 0.588 1.00 4.13 C ATOM 885 O VAL A 54 -5.214 4.108 1.195 1.00 32.13 O ATOM 886 CB VAL A 54 -2.574 5.701 0.144 1.00 72.13 C ATOM 887 CG1 VAL A 54 -1.403 6.603 0.502 1.00 32.14 C ATOM 888 CG2 VAL A 54 -2.206 4.236 0.329 1.00 42.45 C ATOM 0 H VAL A 54 -3.688 5.014 2.807 1.00 45.35 H new ATOM 0 HA VAL A 54 -4.083 7.096 0.805 1.00 52.30 H new ATOM 0 HB VAL A 54 -2.817 5.861 -0.907 1.00 72.13 H new ATOM 0 HG11 VAL A 54 -0.539 6.337 -0.107 1.00 32.14 H new ATOM 0 HG12 VAL A 54 -1.673 7.642 0.314 1.00 32.14 H new ATOM 0 HG13 VAL A 54 -1.156 6.478 1.556 1.00 32.14 H new ATOM 0 HG21 VAL A 54 -1.331 4.001 -0.277 1.00 42.45 H new ATOM 0 HG22 VAL A 54 -1.982 4.047 1.379 1.00 42.45 H new ATOM 0 HG23 VAL A 54 -3.041 3.609 0.018 1.00 42.45 H new ATOM 898 N PRO A 55 -5.696 5.554 -0.463 1.00 72.25 N ATOM 899 CA PRO A 55 -6.840 4.793 -0.973 1.00 24.21 C ATOM 900 C PRO A 55 -6.416 3.489 -1.643 1.00 52.14 C ATOM 901 O PRO A 55 -5.439 3.454 -2.391 1.00 43.51 O ATOM 902 CB PRO A 55 -7.469 5.740 -1.997 1.00 2.20 C ATOM 903 CG PRO A 55 -6.351 6.622 -2.435 1.00 3.23 C ATOM 904 CD PRO A 55 -5.459 6.786 -1.235 1.00 40.02 C ATOM 0 HA PRO A 55 -7.520 4.495 -0.175 1.00 24.21 H new ATOM 0 HB2 PRO A 55 -7.892 5.190 -2.838 1.00 2.20 H new ATOM 0 HB3 PRO A 55 -8.280 6.319 -1.555 1.00 2.20 H new ATOM 0 HG2 PRO A 55 -5.807 6.178 -3.268 1.00 3.23 H new ATOM 0 HG3 PRO A 55 -6.726 7.587 -2.777 1.00 3.23 H new ATOM 0 HD2 PRO A 55 -4.412 6.885 -1.523 1.00 40.02 H new ATOM 0 HD3 PRO A 55 -5.717 7.676 -0.661 1.00 40.02 H new ATOM 912 N SER A 56 -7.157 2.420 -1.370 1.00 74.33 N ATOM 913 CA SER A 56 -6.857 1.115 -1.945 1.00 13.22 C ATOM 914 C SER A 56 -7.105 1.112 -3.450 1.00 32.13 C ATOM 915 O SER A 56 -6.779 0.149 -4.142 1.00 14.44 O ATOM 916 CB SER A 56 -7.704 0.032 -1.274 1.00 31.53 C ATOM 917 OG SER A 56 -9.066 0.146 -1.649 1.00 31.33 O ATOM 0 H SER A 56 -7.970 2.432 -0.754 1.00 74.33 H new ATOM 0 HA SER A 56 -5.802 0.903 -1.769 1.00 13.22 H new ATOM 0 HB2 SER A 56 -7.328 -0.953 -1.552 1.00 31.53 H new ATOM 0 HB3 SER A 56 -7.613 0.114 -0.191 1.00 31.53 H new ATOM 0 HG SER A 56 -9.587 -0.558 -1.209 1.00 31.33 H new ATOM 923 N ASN A 57 -7.685 2.199 -3.948 1.00 44.44 N ATOM 924 CA ASN A 57 -7.979 2.323 -5.372 1.00 43.22 C ATOM 925 C ASN A 57 -6.693 2.444 -6.184 1.00 45.21 C ATOM 926 O ASN A 57 -6.679 2.182 -7.387 1.00 12.53 O ATOM 927 CB ASN A 57 -8.871 3.541 -5.625 1.00 2.14 C ATOM 928 CG ASN A 57 -10.220 3.419 -4.946 1.00 31.15 C ATOM 929 OD1 ASN A 57 -10.465 2.480 -4.188 1.00 53.31 O ATOM 930 ND2 ASN A 57 -11.106 4.371 -5.214 1.00 51.30 N ATOM 0 H ASN A 57 -7.961 3.006 -3.388 1.00 44.44 H new ATOM 0 HA ASN A 57 -8.505 1.423 -5.689 1.00 43.22 H new ATOM 0 HB2 ASN A 57 -8.367 4.438 -5.267 1.00 2.14 H new ATOM 0 HB3 ASN A 57 -9.017 3.665 -6.698 1.00 2.14 H new ATOM 0 HD21 ASN A 57 -12.031 4.342 -4.786 1.00 51.30 H new ATOM 0 HD22 ASN A 57 -10.861 5.131 -5.848 1.00 51.30 H new ATOM 937 N TYR A 58 -5.613 2.840 -5.518 1.00 20.30 N ATOM 938 CA TYR A 58 -4.323 2.997 -6.178 1.00 1.14 C ATOM 939 C TYR A 58 -3.409 1.814 -5.875 1.00 22.24 C ATOM 940 O TYR A 58 -2.770 1.261 -6.771 1.00 53.25 O ATOM 941 CB TYR A 58 -3.655 4.299 -5.734 1.00 54.43 C ATOM 942 CG TYR A 58 -4.354 5.541 -6.237 1.00 44.44 C ATOM 943 CD1 TYR A 58 -5.616 5.889 -5.774 1.00 22.55 C ATOM 944 CD2 TYR A 58 -3.751 6.368 -7.178 1.00 41.21 C ATOM 945 CE1 TYR A 58 -6.259 7.022 -6.233 1.00 35.35 C ATOM 946 CE2 TYR A 58 -4.385 7.504 -7.641 1.00 64.53 C ATOM 947 CZ TYR A 58 -5.640 7.827 -7.166 1.00 53.34 C ATOM 948 OH TYR A 58 -6.276 8.958 -7.624 1.00 53.31 O ATOM 0 H TYR A 58 -5.606 3.058 -4.522 1.00 20.30 H new ATOM 0 HA TYR A 58 -4.495 3.033 -7.254 1.00 1.14 H new ATOM 0 HB2 TYR A 58 -3.622 4.327 -4.645 1.00 54.43 H new ATOM 0 HB3 TYR A 58 -2.623 4.306 -6.085 1.00 54.43 H new ATOM 0 HD1 TYR A 58 -6.104 5.262 -5.042 1.00 22.55 H new ATOM 0 HD2 TYR A 58 -2.770 6.118 -7.553 1.00 41.21 H new ATOM 0 HE1 TYR A 58 -7.241 7.276 -5.863 1.00 35.35 H new ATOM 0 HE2 TYR A 58 -3.901 8.136 -8.371 1.00 64.53 H new ATOM 0 HH TYR A 58 -5.704 9.414 -8.276 1.00 53.31 H new ATOM 958 N VAL A 59 -3.352 1.428 -4.604 1.00 75.14 N ATOM 959 CA VAL A 59 -2.519 0.310 -4.180 1.00 52.51 C ATOM 960 C VAL A 59 -3.369 -0.903 -3.817 1.00 64.04 C ATOM 961 O VAL A 59 -4.560 -0.776 -3.538 1.00 64.23 O ATOM 962 CB VAL A 59 -1.643 0.688 -2.971 1.00 40.25 C ATOM 963 CG1 VAL A 59 -0.946 2.019 -3.213 1.00 12.21 C ATOM 964 CG2 VAL A 59 -2.480 0.739 -1.702 1.00 42.03 C ATOM 0 H VAL A 59 -3.874 1.874 -3.850 1.00 75.14 H new ATOM 0 HA VAL A 59 -1.874 0.060 -5.023 1.00 52.51 H new ATOM 0 HB VAL A 59 -0.878 -0.078 -2.844 1.00 40.25 H new ATOM 0 HG11 VAL A 59 -0.331 2.270 -2.349 1.00 12.21 H new ATOM 0 HG12 VAL A 59 -0.314 1.943 -4.098 1.00 12.21 H new ATOM 0 HG13 VAL A 59 -1.693 2.798 -3.366 1.00 12.21 H new ATOM 0 HG21 VAL A 59 -1.845 1.008 -0.858 1.00 42.03 H new ATOM 0 HG22 VAL A 59 -3.267 1.484 -1.815 1.00 42.03 H new ATOM 0 HG23 VAL A 59 -2.928 -0.238 -1.522 1.00 42.03 H new ATOM 974 N GLU A 60 -2.747 -2.078 -3.824 1.00 14.22 N ATOM 975 CA GLU A 60 -3.448 -3.314 -3.495 1.00 73.24 C ATOM 976 C GLU A 60 -2.459 -4.436 -3.194 1.00 1.44 C ATOM 977 O GLU A 60 -1.386 -4.509 -3.793 1.00 4.41 O ATOM 978 CB GLU A 60 -4.369 -3.725 -4.646 1.00 42.41 C ATOM 979 CG GLU A 60 -5.351 -4.824 -4.276 1.00 62.54 C ATOM 980 CD GLU A 60 -6.341 -5.119 -5.387 1.00 31.42 C ATOM 981 OE1 GLU A 60 -6.775 -4.162 -6.063 1.00 24.21 O ATOM 982 OE2 GLU A 60 -6.681 -6.304 -5.580 1.00 35.14 O ATOM 0 H GLU A 60 -1.761 -2.200 -4.053 1.00 14.22 H new ATOM 0 HA GLU A 60 -4.050 -3.135 -2.604 1.00 73.24 H new ATOM 0 HB2 GLU A 60 -4.925 -2.851 -4.985 1.00 42.41 H new ATOM 0 HB3 GLU A 60 -3.760 -4.061 -5.485 1.00 42.41 H new ATOM 0 HG2 GLU A 60 -4.800 -5.733 -4.035 1.00 62.54 H new ATOM 0 HG3 GLU A 60 -5.895 -4.533 -3.377 1.00 62.54 H new ATOM 990 N ARG A 61 -2.829 -5.308 -2.261 1.00 50.34 N ATOM 991 CA ARG A 61 -1.974 -6.426 -1.879 1.00 71.05 C ATOM 992 C ARG A 61 -1.494 -7.188 -3.110 1.00 0.24 C ATOM 993 O ARG A 61 -2.231 -7.348 -4.082 1.00 61.43 O ATOM 994 CB ARG A 61 -2.726 -7.372 -0.941 1.00 54.54 C ATOM 995 CG ARG A 61 -3.290 -6.685 0.293 1.00 4.31 C ATOM 996 CD ARG A 61 -4.044 -7.664 1.179 1.00 53.21 C ATOM 997 NE ARG A 61 -5.473 -7.368 1.229 1.00 64.12 N ATOM 998 CZ ARG A 61 -6.399 -8.263 1.555 1.00 4.51 C ATOM 999 NH1 ARG A 61 -6.046 -9.505 1.860 1.00 50.23 N ATOM 1000 NH2 ARG A 61 -7.680 -7.918 1.577 1.00 42.11 N ATOM 0 H ARG A 61 -3.714 -5.262 -1.756 1.00 50.34 H new ATOM 0 HA ARG A 61 -1.104 -6.025 -1.359 1.00 71.05 H new ATOM 0 HB2 ARG A 61 -3.542 -7.842 -1.490 1.00 54.54 H new ATOM 0 HB3 ARG A 61 -2.053 -8.170 -0.627 1.00 54.54 H new ATOM 0 HG2 ARG A 61 -2.478 -6.230 0.860 1.00 4.31 H new ATOM 0 HG3 ARG A 61 -3.958 -5.879 -0.011 1.00 4.31 H new ATOM 0 HD2 ARG A 61 -3.897 -8.678 0.806 1.00 53.21 H new ATOM 0 HD3 ARG A 61 -3.632 -7.632 2.187 1.00 53.21 H new ATOM 0 HE ARG A 61 -5.777 -6.421 1.001 1.00 64.12 H new ATOM 0 HH11 ARG A 61 -5.062 -9.774 1.844 1.00 50.23 H new ATOM 0 HH12 ARG A 61 -6.758 -10.191 2.110 1.00 50.23 H new ATOM 0 HH21 ARG A 61 -7.955 -6.964 1.343 1.00 42.11 H new ATOM 0 HH22 ARG A 61 -8.389 -8.607 1.828 1.00 42.11 H new ATOM 1014 N LYS A 62 -0.252 -7.659 -3.060 1.00 42.15 N ATOM 1015 CA LYS A 62 0.328 -8.406 -4.170 1.00 43.35 C ATOM 1016 C LYS A 62 -0.679 -9.395 -4.746 1.00 22.11 C ATOM 1017 O LYS A 62 -1.645 -9.768 -4.083 1.00 14.34 O ATOM 1018 CB LYS A 62 1.584 -9.149 -3.709 1.00 24.15 C ATOM 1019 CG LYS A 62 2.733 -9.074 -4.699 1.00 2.11 C ATOM 1020 CD LYS A 62 3.741 -10.188 -4.469 1.00 25.43 C ATOM 1021 CE LYS A 62 4.865 -10.143 -5.492 1.00 40.15 C ATOM 1022 NZ LYS A 62 6.173 -10.538 -4.898 1.00 24.51 N ATOM 0 H LYS A 62 0.372 -7.536 -2.263 1.00 42.15 H new ATOM 0 HA LYS A 62 0.599 -7.696 -4.951 1.00 43.35 H new ATOM 0 HB2 LYS A 62 1.910 -8.736 -2.755 1.00 24.15 H new ATOM 0 HB3 LYS A 62 1.333 -10.195 -3.535 1.00 24.15 H new ATOM 0 HG2 LYS A 62 2.344 -9.138 -5.715 1.00 2.11 H new ATOM 0 HG3 LYS A 62 3.230 -8.108 -4.609 1.00 2.11 H new ATOM 0 HD2 LYS A 62 4.157 -10.102 -3.465 1.00 25.43 H new ATOM 0 HD3 LYS A 62 3.237 -11.153 -4.523 1.00 25.43 H new ATOM 0 HE2 LYS A 62 4.627 -10.809 -6.322 1.00 40.15 H new ATOM 0 HE3 LYS A 62 4.942 -9.136 -5.903 1.00 40.15 H new ATOM 0 HZ1 LYS A 62 6.913 -10.494 -5.628 1.00 24.51 H new ATOM 0 HZ2 LYS A 62 6.413 -9.888 -4.122 1.00 24.51 H new ATOM 0 HZ3 LYS A 62 6.108 -11.508 -4.529 1.00 24.51 H new ATOM 1036 N ASN A 63 -0.447 -9.816 -5.985 1.00 41.43 N ATOM 1037 CA ASN A 63 -1.334 -10.763 -6.651 1.00 32.35 C ATOM 1038 C ASN A 63 -0.615 -12.079 -6.928 1.00 24.54 C ATOM 1039 O ASN A 63 -1.247 -13.128 -7.059 1.00 0.33 O ATOM 1040 CB ASN A 63 -1.859 -10.169 -7.959 1.00 42.42 C ATOM 1041 CG ASN A 63 -2.164 -11.234 -8.995 1.00 60.41 C ATOM 1042 OD1 ASN A 63 -3.323 -11.589 -9.214 1.00 11.24 O ATOM 1043 ND2 ASN A 63 -1.123 -11.749 -9.639 1.00 21.00 N ATOM 0 H ASN A 63 0.348 -9.516 -6.549 1.00 41.43 H new ATOM 0 HA ASN A 63 -2.176 -10.963 -5.988 1.00 32.35 H new ATOM 0 HB2 ASN A 63 -2.762 -9.593 -7.757 1.00 42.42 H new ATOM 0 HB3 ASN A 63 -1.122 -9.475 -8.362 1.00 42.42 H new ATOM 0 HD21 ASN A 63 -1.267 -12.469 -10.347 1.00 21.00 H new ATOM 0 HD22 ASN A 63 -0.180 -11.425 -9.425 1.00 21.00 H new ATOM 1050 N SER A 64 0.709 -12.017 -7.016 1.00 3.00 N ATOM 1051 CA SER A 64 1.515 -13.203 -7.281 1.00 32.23 C ATOM 1052 C SER A 64 1.208 -14.305 -6.271 1.00 54.33 C ATOM 1053 O SER A 64 1.090 -15.476 -6.630 1.00 54.21 O ATOM 1054 CB SER A 64 3.004 -12.855 -7.237 1.00 12.44 C ATOM 1055 OG SER A 64 3.796 -13.946 -7.673 1.00 35.24 O ATOM 0 H SER A 64 1.247 -11.157 -6.908 1.00 3.00 H new ATOM 0 HA SER A 64 1.264 -13.567 -8.277 1.00 32.23 H new ATOM 0 HB2 SER A 64 3.197 -11.987 -7.868 1.00 12.44 H new ATOM 0 HB3 SER A 64 3.286 -12.580 -6.221 1.00 12.44 H new ATOM 0 HG SER A 64 4.743 -13.698 -7.637 1.00 35.24 H new ATOM 1061 N ALA A 65 1.080 -13.919 -5.005 1.00 4.31 N ATOM 1062 CA ALA A 65 0.785 -14.873 -3.943 1.00 45.13 C ATOM 1063 C ALA A 65 -0.446 -15.708 -4.280 1.00 62.42 C ATOM 1064 O ALA A 65 -1.579 -15.275 -4.065 1.00 2.13 O ATOM 1065 CB ALA A 65 0.586 -14.145 -2.621 1.00 42.40 C ATOM 0 H ALA A 65 1.176 -12.953 -4.691 1.00 4.31 H new ATOM 0 HA ALA A 65 1.635 -15.549 -3.849 1.00 45.13 H new ATOM 0 HB1 ALA A 65 0.366 -14.869 -1.836 1.00 42.40 H new ATOM 0 HB2 ALA A 65 1.494 -13.598 -2.366 1.00 42.40 H new ATOM 0 HB3 ALA A 65 -0.245 -13.446 -2.712 1.00 42.40 H new ATOM 1071 N ARG A 66 -0.217 -16.904 -4.810 1.00 42.22 N ATOM 1072 CA ARG A 66 -1.307 -17.799 -5.180 1.00 32.41 C ATOM 1073 C ARG A 66 -2.324 -17.080 -6.061 1.00 24.23 C ATOM 1074 O ARG A 66 -3.163 -16.324 -5.571 1.00 10.00 O ATOM 1075 CB ARG A 66 -1.997 -18.341 -3.926 1.00 21.11 C ATOM 1076 CG ARG A 66 -1.175 -19.378 -3.179 1.00 44.21 C ATOM 1077 CD ARG A 66 -1.890 -19.861 -1.927 1.00 44.23 C ATOM 1078 NE ARG A 66 -0.966 -20.078 -0.818 1.00 41.30 N ATOM 1079 CZ ARG A 66 -1.313 -20.657 0.326 1.00 62.22 C ATOM 1080 NH1 ARG A 66 -2.559 -21.075 0.510 1.00 53.01 N ATOM 1081 NH2 ARG A 66 -0.415 -20.819 1.289 1.00 70.22 N ATOM 0 H ARG A 66 0.715 -17.277 -4.993 1.00 42.22 H new ATOM 0 HA ARG A 66 -0.886 -18.631 -5.744 1.00 32.41 H new ATOM 0 HB2 ARG A 66 -2.216 -17.511 -3.255 1.00 21.11 H new ATOM 0 HB3 ARG A 66 -2.953 -18.782 -4.209 1.00 21.11 H new ATOM 0 HG2 ARG A 66 -0.975 -20.226 -3.834 1.00 44.21 H new ATOM 0 HG3 ARG A 66 -0.210 -18.951 -2.906 1.00 44.21 H new ATOM 0 HD2 ARG A 66 -2.642 -19.129 -1.634 1.00 44.23 H new ATOM 0 HD3 ARG A 66 -2.417 -20.789 -2.146 1.00 44.23 H new ATOM 0 HE ARG A 66 -0.000 -19.768 -0.928 1.00 41.30 H new ATOM 0 HH11 ARG A 66 -3.252 -20.952 -0.228 1.00 53.01 H new ATOM 0 HH12 ARG A 66 -2.823 -21.519 1.389 1.00 53.01 H new ATOM 0 HH21 ARG A 66 0.544 -20.499 1.152 1.00 70.22 H new ATOM 0 HH22 ARG A 66 -0.683 -21.264 2.167 1.00 70.22 H new ATOM 1095 N ALA A 67 -2.244 -17.321 -7.366 1.00 43.31 N ATOM 1096 CA ALA A 67 -3.157 -16.699 -8.315 1.00 64.54 C ATOM 1097 C ALA A 67 -4.610 -16.972 -7.940 1.00 54.21 C ATOM 1098 O ALA A 67 -5.464 -16.092 -8.046 1.00 12.30 O ATOM 1099 CB ALA A 67 -2.873 -17.197 -9.725 1.00 62.25 C ATOM 0 H ALA A 67 -1.555 -17.943 -7.789 1.00 43.31 H new ATOM 0 HA ALA A 67 -2.996 -15.621 -8.282 1.00 64.54 H new ATOM 0 HB1 ALA A 67 -3.563 -16.724 -10.424 1.00 62.25 H new ATOM 0 HB2 ALA A 67 -1.849 -16.946 -10.000 1.00 62.25 H new ATOM 0 HB3 ALA A 67 -3.004 -18.278 -9.762 1.00 62.25 H new ATOM 1105 N ALA A 68 -4.883 -18.196 -7.501 1.00 31.44 N ATOM 1106 CA ALA A 68 -6.232 -18.583 -7.108 1.00 41.11 C ATOM 1107 C ALA A 68 -6.827 -17.579 -6.127 1.00 31.34 C ATOM 1108 O ALA A 68 -8.020 -17.276 -6.180 1.00 2.31 O ATOM 1109 CB ALA A 68 -6.225 -19.978 -6.500 1.00 22.11 C ATOM 0 H ALA A 68 -4.188 -18.937 -7.409 1.00 31.44 H new ATOM 0 HA ALA A 68 -6.856 -18.592 -8.002 1.00 41.11 H new ATOM 0 HB1 ALA A 68 -7.239 -20.254 -6.211 1.00 22.11 H new ATOM 0 HB2 ALA A 68 -5.849 -20.692 -7.233 1.00 22.11 H new ATOM 0 HB3 ALA A 68 -5.582 -19.988 -5.620 1.00 22.11 H new ATOM 1115 N ALA A 69 -5.991 -17.068 -5.230 1.00 75.34 N ATOM 1116 CA ALA A 69 -6.434 -16.096 -4.238 1.00 23.35 C ATOM 1117 C ALA A 69 -7.335 -15.039 -4.868 1.00 21.05 C ATOM 1118 O ALA A 69 -6.954 -14.383 -5.836 1.00 45.43 O ATOM 1119 CB ALA A 69 -5.236 -15.440 -3.569 1.00 12.23 C ATOM 0 H ALA A 69 -5.002 -17.311 -5.170 1.00 75.34 H new ATOM 0 HA ALA A 69 -7.013 -16.625 -3.482 1.00 23.35 H new ATOM 0 HB1 ALA A 69 -5.582 -14.717 -2.831 1.00 12.23 H new ATOM 0 HB2 ALA A 69 -4.633 -16.202 -3.075 1.00 12.23 H new ATOM 0 HB3 ALA A 69 -4.633 -14.931 -4.321 1.00 12.23 H new ATOM 1125 N ASN A 70 -8.532 -14.880 -4.313 1.00 4.14 N ATOM 1126 CA ASN A 70 -9.488 -13.904 -4.822 1.00 2.31 C ATOM 1127 C ASN A 70 -8.805 -12.568 -5.101 1.00 4.42 C ATOM 1128 O ASN A 70 -8.659 -11.736 -4.207 1.00 73.24 O ATOM 1129 CB ASN A 70 -10.629 -13.707 -3.822 1.00 65.11 C ATOM 1130 CG ASN A 70 -10.177 -12.995 -2.562 1.00 21.02 C ATOM 1131 OD1 ASN A 70 -9.082 -13.241 -2.057 1.00 55.32 O ATOM 1132 ND2 ASN A 70 -11.021 -12.108 -2.048 1.00 62.43 N ATOM 0 H ASN A 70 -8.863 -15.415 -3.510 1.00 4.14 H new ATOM 0 HA ASN A 70 -9.896 -14.286 -5.758 1.00 2.31 H new ATOM 0 HB2 ASN A 70 -11.427 -13.133 -4.294 1.00 65.11 H new ATOM 0 HB3 ASN A 70 -11.048 -14.678 -3.557 1.00 65.11 H new ATOM 0 HD21 ASN A 70 -10.772 -11.598 -1.200 1.00 62.43 H new ATOM 0 HD22 ASN A 70 -11.919 -11.936 -2.501 1.00 62.43 H new ATOM 1139 N SER A 71 -8.388 -12.372 -6.348 1.00 2.22 N ATOM 1140 CA SER A 71 -7.716 -11.140 -6.744 1.00 63.51 C ATOM 1141 C SER A 71 -8.663 -10.234 -7.526 1.00 24.00 C ATOM 1142 O SER A 71 -8.256 -9.197 -8.049 1.00 73.42 O ATOM 1143 CB SER A 71 -6.481 -11.457 -7.589 1.00 31.21 C ATOM 1144 OG SER A 71 -5.292 -11.086 -6.912 1.00 24.53 O ATOM 0 H SER A 71 -8.504 -13.050 -7.101 1.00 2.22 H new ATOM 0 HA SER A 71 -7.404 -10.617 -5.840 1.00 63.51 H new ATOM 0 HB2 SER A 71 -6.456 -12.523 -7.817 1.00 31.21 H new ATOM 0 HB3 SER A 71 -6.542 -10.929 -8.540 1.00 31.21 H new ATOM 0 HG SER A 71 -4.529 -11.173 -7.520 1.00 24.53 H new ATOM 1150 N SER A 72 -9.928 -10.636 -7.603 1.00 73.55 N ATOM 1151 CA SER A 72 -10.932 -9.863 -8.325 1.00 74.43 C ATOM 1152 C SER A 72 -12.240 -9.806 -7.541 1.00 75.31 C ATOM 1153 O SER A 72 -12.809 -10.837 -7.187 1.00 44.52 O ATOM 1154 CB SER A 72 -11.179 -10.471 -9.706 1.00 73.21 C ATOM 1155 OG SER A 72 -10.526 -9.723 -10.717 1.00 44.31 O ATOM 0 H SER A 72 -10.282 -11.492 -7.175 1.00 73.55 H new ATOM 0 HA SER A 72 -10.555 -8.847 -8.445 1.00 74.43 H new ATOM 0 HB2 SER A 72 -10.821 -11.501 -9.723 1.00 73.21 H new ATOM 0 HB3 SER A 72 -12.250 -10.502 -9.907 1.00 73.21 H new ATOM 0 HG SER A 72 -10.698 -10.133 -11.590 1.00 44.31 H new TER 1161 SER A 72