USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 552 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 0 HIS : no HD1:sc= 0.139 X(o=0.29,f=0.22) USER MOD Set 1.2: A -2 GLY N :NH3+ -169:sc= 0.15 (180deg=0) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0146 (180deg=-0.279) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -162:sc= 0 (180deg=-0.439) USER MOD Single : A 7 LYS NZ :NH3+ 156:sc= -0.902 (180deg=-1.99) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0939 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= -0.0174 (180deg=-0.152) USER MOD Single : A 28 THR OG1 : rot -170:sc= -1.84 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -139:sc= -0.599 (180deg=-2.51!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.085 X(o=-0.085,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 28.909 2.168 -0.127 1.00 63.22 N ATOM 2 CA GLY A -2 27.822 2.087 -1.086 1.00 43.32 C ATOM 3 C GLY A -2 26.686 3.035 -0.755 1.00 33.22 C ATOM 4 O GLY A -2 26.910 4.217 -0.495 1.00 11.22 O ATOM 0 H1 GLY A -2 29.733 1.647 -0.491 1.00 63.22 H new ATOM 0 H2 GLY A -2 29.167 3.164 0.022 1.00 63.22 H new ATOM 0 H3 GLY A -2 28.607 1.750 0.776 1.00 63.22 H new ATOM 0 HA2 GLY A -2 28.202 2.314 -2.082 1.00 43.32 H new ATOM 0 HA3 GLY A -2 27.442 1.066 -1.115 1.00 43.32 H new ATOM 8 N SER A -1 25.463 2.515 -0.766 1.00 64.22 N ATOM 9 CA SER A -1 24.286 3.325 -0.471 1.00 71.31 C ATOM 10 C SER A -1 23.939 3.256 1.014 1.00 1.33 C ATOM 11 O SER A -1 23.492 4.240 1.604 1.00 40.53 O ATOM 12 CB SER A -1 23.095 2.854 -1.307 1.00 62.34 C ATOM 13 OG SER A -1 23.060 1.441 -1.397 1.00 74.32 O ATOM 0 H SER A -1 25.261 1.537 -0.976 1.00 64.22 H new ATOM 0 HA SER A -1 24.513 4.360 -0.726 1.00 71.31 H new ATOM 0 HB2 SER A -1 22.168 3.216 -0.861 1.00 62.34 H new ATOM 0 HB3 SER A -1 23.157 3.283 -2.307 1.00 62.34 H new ATOM 0 HG SER A -1 22.288 1.167 -1.935 1.00 74.32 H new ATOM 19 N HIS A 0 24.149 2.087 1.610 1.00 51.15 N ATOM 20 CA HIS A 0 23.859 1.890 3.027 1.00 20.33 C ATOM 21 C HIS A 0 22.402 2.220 3.335 1.00 4.44 C ATOM 22 O HIS A 0 22.097 2.830 4.359 1.00 54.40 O ATOM 23 CB HIS A 0 24.783 2.755 3.884 1.00 73.42 C ATOM 24 CG HIS A 0 26.230 2.630 3.518 1.00 0.31 C ATOM 25 ND1 HIS A 0 27.008 3.706 3.146 1.00 25.12 N ATOM 26 CD2 HIS A 0 27.041 1.548 3.471 1.00 62.20 C ATOM 27 CE1 HIS A 0 28.234 3.291 2.883 1.00 54.13 C ATOM 28 NE2 HIS A 0 28.280 1.985 3.074 1.00 34.23 N ATOM 0 H HIS A 0 24.518 1.263 1.136 1.00 51.15 H new ATOM 0 HA HIS A 0 24.033 0.841 3.265 1.00 20.33 H new ATOM 0 HB2 HIS A 0 24.482 3.798 3.789 1.00 73.42 H new ATOM 0 HB3 HIS A 0 24.656 2.480 4.931 1.00 73.42 H new ATOM 0 HD2 HIS A 0 26.765 0.530 3.703 1.00 62.20 H new ATOM 0 HE1 HIS A 0 29.058 3.913 2.566 1.00 54.13 H new ATOM 0 HE2 HIS A 0 29.103 1.396 2.947 1.00 34.23 H new ATOM 36 N MET A 1 21.506 1.815 2.440 1.00 61.03 N ATOM 37 CA MET A 1 20.081 2.069 2.618 1.00 24.21 C ATOM 38 C MET A 1 19.414 0.922 3.370 1.00 73.03 C ATOM 39 O MET A 1 19.944 -0.187 3.427 1.00 54.44 O ATOM 40 CB MET A 1 19.403 2.266 1.260 1.00 35.10 C ATOM 41 CG MET A 1 19.503 1.052 0.350 1.00 62.32 C ATOM 42 SD MET A 1 18.314 1.102 -1.005 1.00 15.02 S ATOM 43 CE MET A 1 16.794 0.732 -0.135 1.00 62.41 C ATOM 0 H MET A 1 21.741 1.310 1.585 1.00 61.03 H new ATOM 0 HA MET A 1 19.970 2.979 3.207 1.00 24.21 H new ATOM 0 HB2 MET A 1 18.352 2.505 1.419 1.00 35.10 H new ATOM 0 HB3 MET A 1 19.853 3.123 0.759 1.00 35.10 H new ATOM 0 HG2 MET A 1 20.512 0.991 -0.059 1.00 62.32 H new ATOM 0 HG3 MET A 1 19.342 0.148 0.937 1.00 62.32 H new ATOM 0 HE1 MET A 1 16.040 0.396 -0.847 1.00 62.41 H new ATOM 0 HE2 MET A 1 16.976 -0.054 0.598 1.00 62.41 H new ATOM 0 HE3 MET A 1 16.439 1.628 0.374 1.00 62.41 H new ATOM 53 N VAL A 2 18.248 1.197 3.946 1.00 42.34 N ATOM 54 CA VAL A 2 17.509 0.188 4.695 1.00 61.43 C ATOM 55 C VAL A 2 16.405 -0.429 3.844 1.00 31.45 C ATOM 56 O VAL A 2 15.779 0.252 3.033 1.00 0.34 O ATOM 57 CB VAL A 2 16.885 0.782 5.973 1.00 33.23 C ATOM 58 CG1 VAL A 2 15.835 1.824 5.619 1.00 12.11 C ATOM 59 CG2 VAL A 2 16.286 -0.320 6.834 1.00 53.10 C ATOM 0 H VAL A 2 17.795 2.110 3.908 1.00 42.34 H new ATOM 0 HA VAL A 2 18.224 -0.586 4.974 1.00 61.43 H new ATOM 0 HB VAL A 2 17.671 1.273 6.547 1.00 33.23 H new ATOM 0 HG11 VAL A 2 15.405 2.233 6.534 1.00 12.11 H new ATOM 0 HG12 VAL A 2 16.298 2.627 5.045 1.00 12.11 H new ATOM 0 HG13 VAL A 2 15.048 1.360 5.024 1.00 12.11 H new ATOM 0 HG21 VAL A 2 15.850 0.117 7.732 1.00 53.10 H new ATOM 0 HG22 VAL A 2 15.512 -0.841 6.271 1.00 53.10 H new ATOM 0 HG23 VAL A 2 17.067 -1.026 7.116 1.00 53.10 H new ATOM 69 N GLU A 3 16.172 -1.724 4.034 1.00 51.21 N ATOM 70 CA GLU A 3 15.143 -2.433 3.282 1.00 1.32 C ATOM 71 C GLU A 3 14.011 -2.883 4.200 1.00 44.02 C ATOM 72 O GLU A 3 14.162 -3.832 4.970 1.00 23.34 O ATOM 73 CB GLU A 3 15.746 -3.644 2.567 1.00 12.51 C ATOM 74 CG GLU A 3 14.898 -4.156 1.416 1.00 70.10 C ATOM 75 CD GLU A 3 14.553 -3.069 0.416 1.00 50.11 C ATOM 76 OE1 GLU A 3 15.478 -2.561 -0.252 1.00 55.22 O ATOM 77 OE2 GLU A 3 13.357 -2.726 0.302 1.00 14.32 O ATOM 0 H GLU A 3 16.681 -2.303 4.702 1.00 51.21 H new ATOM 0 HA GLU A 3 14.735 -1.747 2.539 1.00 1.32 H new ATOM 0 HB2 GLU A 3 16.733 -3.378 2.189 1.00 12.51 H new ATOM 0 HB3 GLU A 3 15.887 -4.448 3.289 1.00 12.51 H new ATOM 0 HG2 GLU A 3 15.431 -4.958 0.906 1.00 70.10 H new ATOM 0 HG3 GLU A 3 13.978 -4.586 1.811 1.00 70.10 H new ATOM 84 N MET A 4 12.878 -2.194 4.114 1.00 11.02 N ATOM 85 CA MET A 4 11.719 -2.523 4.937 1.00 2.34 C ATOM 86 C MET A 4 10.422 -2.265 4.176 1.00 53.51 C ATOM 87 O MET A 4 10.387 -1.461 3.244 1.00 52.52 O ATOM 88 CB MET A 4 11.737 -1.706 6.230 1.00 32.00 C ATOM 89 CG MET A 4 12.613 -2.309 7.317 1.00 24.22 C ATOM 90 SD MET A 4 11.886 -3.783 8.057 1.00 62.43 S ATOM 91 CE MET A 4 11.326 -3.132 9.629 1.00 71.22 C ATOM 0 H MET A 4 12.737 -1.405 3.483 1.00 11.02 H new ATOM 0 HA MET A 4 11.769 -3.583 5.185 1.00 2.34 H new ATOM 0 HB2 MET A 4 12.088 -0.698 6.009 1.00 32.00 H new ATOM 0 HB3 MET A 4 10.718 -1.613 6.606 1.00 32.00 H new ATOM 0 HG2 MET A 4 13.586 -2.561 6.896 1.00 24.22 H new ATOM 0 HG3 MET A 4 12.785 -1.564 8.094 1.00 24.22 H new ATOM 0 HE1 MET A 4 10.852 -3.927 10.204 1.00 71.22 H new ATOM 0 HE2 MET A 4 12.178 -2.740 10.185 1.00 71.22 H new ATOM 0 HE3 MET A 4 10.607 -2.332 9.456 1.00 71.22 H new ATOM 101 N ARG A 5 9.358 -2.951 4.580 1.00 12.25 N ATOM 102 CA ARG A 5 8.060 -2.796 3.935 1.00 71.33 C ATOM 103 C ARG A 5 7.585 -1.348 4.009 1.00 72.12 C ATOM 104 O ARG A 5 7.645 -0.718 5.065 1.00 65.43 O ATOM 105 CB ARG A 5 7.028 -3.717 4.591 1.00 51.54 C ATOM 106 CG ARG A 5 6.897 -3.513 6.093 1.00 11.42 C ATOM 107 CD ARG A 5 5.716 -2.617 6.432 1.00 55.40 C ATOM 108 NE ARG A 5 5.083 -3.002 7.691 1.00 23.15 N ATOM 109 CZ ARG A 5 4.363 -4.108 7.844 1.00 43.14 C ATOM 110 NH1 ARG A 5 4.187 -4.934 6.822 1.00 33.40 N ATOM 111 NH2 ARG A 5 3.818 -4.388 9.021 1.00 21.53 N ATOM 0 H ARG A 5 9.369 -3.619 5.351 1.00 12.25 H new ATOM 0 HA ARG A 5 8.168 -3.071 2.886 1.00 71.33 H new ATOM 0 HB2 ARG A 5 6.057 -3.551 4.124 1.00 51.54 H new ATOM 0 HB3 ARG A 5 7.303 -4.754 4.396 1.00 51.54 H new ATOM 0 HG2 ARG A 5 6.775 -4.479 6.583 1.00 11.42 H new ATOM 0 HG3 ARG A 5 7.814 -3.071 6.483 1.00 11.42 H new ATOM 0 HD2 ARG A 5 6.052 -1.582 6.496 1.00 55.40 H new ATOM 0 HD3 ARG A 5 4.982 -2.664 5.628 1.00 55.40 H new ATOM 0 HE ARG A 5 5.200 -2.388 8.497 1.00 23.15 H new ATOM 0 HH11 ARG A 5 4.605 -4.721 5.916 1.00 33.40 H new ATOM 0 HH12 ARG A 5 3.634 -5.783 6.942 1.00 33.40 H new ATOM 0 HH21 ARG A 5 3.952 -3.754 9.809 1.00 21.53 H new ATOM 0 HH22 ARG A 5 3.265 -5.237 9.138 1.00 21.53 H new ATOM 125 N MET A 6 7.117 -0.827 2.880 1.00 43.14 N ATOM 126 CA MET A 6 6.631 0.547 2.817 1.00 14.43 C ATOM 127 C MET A 6 6.019 0.846 1.452 1.00 71.12 C ATOM 128 O MET A 6 5.916 -0.037 0.600 1.00 13.21 O ATOM 129 CB MET A 6 7.771 1.526 3.103 1.00 43.10 C ATOM 130 CG MET A 6 8.751 1.670 1.951 1.00 33.05 C ATOM 131 SD MET A 6 10.449 1.912 2.510 1.00 31.33 S ATOM 132 CE MET A 6 10.233 3.249 3.680 1.00 53.21 C ATOM 0 H MET A 6 7.064 -1.335 1.997 1.00 43.14 H new ATOM 0 HA MET A 6 5.858 0.668 3.576 1.00 14.43 H new ATOM 0 HB2 MET A 6 7.349 2.504 3.335 1.00 43.10 H new ATOM 0 HB3 MET A 6 8.311 1.193 3.989 1.00 43.10 H new ATOM 0 HG2 MET A 6 8.702 0.780 1.324 1.00 33.05 H new ATOM 0 HG3 MET A 6 8.453 2.514 1.329 1.00 33.05 H new ATOM 0 HE1 MET A 6 11.195 3.725 3.870 1.00 53.21 H new ATOM 0 HE2 MET A 6 9.540 3.983 3.269 1.00 53.21 H new ATOM 0 HE3 MET A 6 9.832 2.854 4.614 1.00 53.21 H new ATOM 142 N LYS A 7 5.613 2.094 1.252 1.00 4.02 N ATOM 143 CA LYS A 7 5.012 2.510 -0.010 1.00 64.20 C ATOM 144 C LYS A 7 5.750 3.710 -0.596 1.00 42.20 C ATOM 145 O LYS A 7 6.507 4.387 0.101 1.00 63.14 O ATOM 146 CB LYS A 7 3.535 2.857 0.195 1.00 10.32 C ATOM 147 CG LYS A 7 3.245 3.513 1.534 1.00 24.40 C ATOM 148 CD LYS A 7 2.821 2.490 2.575 1.00 52.12 C ATOM 149 CE LYS A 7 1.473 1.873 2.234 1.00 11.25 C ATOM 150 NZ LYS A 7 0.818 1.279 3.431 1.00 65.41 N ATOM 0 H LYS A 7 5.689 2.836 1.948 1.00 4.02 H new ATOM 0 HA LYS A 7 5.091 1.680 -0.712 1.00 64.20 H new ATOM 0 HB2 LYS A 7 3.213 3.524 -0.604 1.00 10.32 H new ATOM 0 HB3 LYS A 7 2.941 1.947 0.109 1.00 10.32 H new ATOM 0 HG2 LYS A 7 4.133 4.041 1.882 1.00 24.40 H new ATOM 0 HG3 LYS A 7 2.458 4.258 1.413 1.00 24.40 H new ATOM 0 HD2 LYS A 7 3.575 1.705 2.643 1.00 52.12 H new ATOM 0 HD3 LYS A 7 2.767 2.966 3.554 1.00 52.12 H new ATOM 0 HE2 LYS A 7 0.823 2.635 1.805 1.00 11.25 H new ATOM 0 HE3 LYS A 7 1.607 1.103 1.474 1.00 11.25 H new ATOM 0 HZ1 LYS A 7 -0.210 1.241 3.281 1.00 65.41 H new ATOM 0 HZ2 LYS A 7 1.182 0.317 3.584 1.00 65.41 H new ATOM 0 HZ3 LYS A 7 1.024 1.864 4.266 1.00 65.41 H new ATOM 164 N LYS A 8 5.524 3.969 -1.879 1.00 34.03 N ATOM 165 CA LYS A 8 6.166 5.088 -2.559 1.00 52.20 C ATOM 166 C LYS A 8 5.158 5.861 -3.404 1.00 52.40 C ATOM 167 O LYS A 8 4.214 5.283 -3.944 1.00 62.02 O ATOM 168 CB LYS A 8 7.311 4.587 -3.442 1.00 4.13 C ATOM 169 CG LYS A 8 8.015 5.692 -4.209 1.00 22.15 C ATOM 170 CD LYS A 8 9.010 5.129 -5.212 1.00 42.24 C ATOM 171 CE LYS A 8 8.357 4.875 -6.562 1.00 42.34 C ATOM 172 NZ LYS A 8 9.033 3.777 -7.306 1.00 11.33 N ATOM 0 H LYS A 8 4.900 3.419 -2.470 1.00 34.03 H new ATOM 0 HA LYS A 8 6.569 5.759 -1.800 1.00 52.20 H new ATOM 0 HB2 LYS A 8 8.039 4.068 -2.819 1.00 4.13 H new ATOM 0 HB3 LYS A 8 6.920 3.857 -4.150 1.00 4.13 H new ATOM 0 HG2 LYS A 8 7.277 6.301 -4.730 1.00 22.15 H new ATOM 0 HG3 LYS A 8 8.534 6.348 -3.510 1.00 22.15 H new ATOM 0 HD2 LYS A 8 9.840 5.825 -5.333 1.00 42.24 H new ATOM 0 HD3 LYS A 8 9.428 4.199 -4.828 1.00 42.24 H new ATOM 0 HE2 LYS A 8 7.307 4.622 -6.416 1.00 42.34 H new ATOM 0 HE3 LYS A 8 8.385 5.788 -7.157 1.00 42.34 H new ATOM 0 HZ1 LYS A 8 8.559 3.634 -8.221 1.00 11.33 H new ATOM 0 HZ2 LYS A 8 10.029 4.029 -7.468 1.00 11.33 H new ATOM 0 HZ3 LYS A 8 8.984 2.899 -6.750 1.00 11.33 H new ATOM 186 N CYS A 9 5.366 7.168 -3.515 1.00 61.11 N ATOM 187 CA CYS A 9 4.475 8.020 -4.295 1.00 11.50 C ATOM 188 C CYS A 9 4.655 7.771 -5.789 1.00 35.20 C ATOM 189 O CYS A 9 5.725 7.992 -6.356 1.00 23.24 O ATOM 190 CB CYS A 9 4.737 9.493 -3.977 1.00 2.40 C ATOM 191 SG CYS A 9 3.579 10.636 -4.767 1.00 53.05 S ATOM 0 H CYS A 9 6.143 7.661 -3.075 1.00 61.11 H new ATOM 0 HA CYS A 9 3.448 7.774 -4.025 1.00 11.50 H new ATOM 0 HB2 CYS A 9 4.691 9.634 -2.897 1.00 2.40 H new ATOM 0 HB3 CYS A 9 5.750 9.746 -4.288 1.00 2.40 H new ATOM 196 N PRO A 10 3.584 7.296 -6.442 1.00 24.35 N ATOM 197 CA PRO A 10 3.599 7.004 -7.879 1.00 40.31 C ATOM 198 C PRO A 10 3.679 8.270 -8.727 1.00 62.42 C ATOM 199 O PRO A 10 3.807 8.204 -9.949 1.00 63.22 O ATOM 200 CB PRO A 10 2.266 6.289 -8.109 1.00 64.01 C ATOM 201 CG PRO A 10 1.380 6.776 -7.015 1.00 1.31 C ATOM 202 CD PRO A 10 2.276 7.008 -5.830 1.00 2.12 C ATOM 0 HA PRO A 10 4.470 6.414 -8.167 1.00 40.31 H new ATOM 0 HB2 PRO A 10 1.853 6.528 -9.089 1.00 64.01 H new ATOM 0 HB3 PRO A 10 2.386 5.206 -8.069 1.00 64.01 H new ATOM 0 HG2 PRO A 10 0.871 7.695 -7.305 1.00 1.31 H new ATOM 0 HG3 PRO A 10 0.607 6.043 -6.783 1.00 1.31 H new ATOM 0 HD2 PRO A 10 1.926 7.840 -5.219 1.00 2.12 H new ATOM 0 HD3 PRO A 10 2.320 6.133 -5.182 1.00 2.12 H new ATOM 210 N LYS A 11 3.601 9.422 -8.070 1.00 41.32 N ATOM 211 CA LYS A 11 3.665 10.704 -8.762 1.00 72.01 C ATOM 212 C LYS A 11 5.082 11.268 -8.731 1.00 31.21 C ATOM 213 O LYS A 11 5.581 11.774 -9.737 1.00 32.31 O ATOM 214 CB LYS A 11 2.694 11.700 -8.126 1.00 51.33 C ATOM 215 CG LYS A 11 1.513 12.051 -9.014 1.00 51.21 C ATOM 216 CD LYS A 11 0.500 10.921 -9.067 1.00 71.02 C ATOM 217 CE LYS A 11 0.444 10.287 -10.448 1.00 73.23 C ATOM 218 NZ LYS A 11 -0.542 10.968 -11.331 1.00 20.41 N ATOM 0 H LYS A 11 3.493 9.494 -7.058 1.00 41.32 H new ATOM 0 HA LYS A 11 3.379 10.542 -9.801 1.00 72.01 H new ATOM 0 HB2 LYS A 11 2.322 11.284 -7.189 1.00 51.33 H new ATOM 0 HB3 LYS A 11 3.235 12.613 -7.877 1.00 51.33 H new ATOM 0 HG2 LYS A 11 1.032 12.955 -8.640 1.00 51.21 H new ATOM 0 HG3 LYS A 11 1.867 12.271 -10.021 1.00 51.21 H new ATOM 0 HD2 LYS A 11 0.760 10.163 -8.328 1.00 71.02 H new ATOM 0 HD3 LYS A 11 -0.486 11.302 -8.800 1.00 71.02 H new ATOM 0 HE2 LYS A 11 1.432 10.328 -10.907 1.00 73.23 H new ATOM 0 HE3 LYS A 11 0.180 9.234 -10.354 1.00 73.23 H new ATOM 0 HZ1 LYS A 11 -0.550 10.506 -12.263 1.00 20.41 H new ATOM 0 HZ2 LYS A 11 -1.489 10.907 -10.906 1.00 20.41 H new ATOM 0 HZ3 LYS A 11 -0.276 11.967 -11.442 1.00 20.41 H new ATOM 232 N CYS A 12 5.725 11.177 -7.572 1.00 23.12 N ATOM 233 CA CYS A 12 7.085 11.678 -7.410 1.00 12.45 C ATOM 234 C CYS A 12 8.079 10.526 -7.295 1.00 45.21 C ATOM 235 O CYS A 12 9.024 10.428 -8.075 1.00 32.10 O ATOM 236 CB CYS A 12 7.178 12.574 -6.174 1.00 24.41 C ATOM 237 SG CYS A 12 5.813 13.748 -6.010 1.00 63.33 S ATOM 0 H CYS A 12 5.326 10.761 -6.731 1.00 23.12 H new ATOM 0 HA CYS A 12 7.337 12.264 -8.294 1.00 12.45 H new ATOM 0 HB2 CYS A 12 7.211 11.945 -5.284 1.00 24.41 H new ATOM 0 HB3 CYS A 12 8.117 13.127 -6.209 1.00 24.41 H new ATOM 242 N GLY A 13 7.857 9.658 -6.313 1.00 31.32 N ATOM 243 CA GLY A 13 8.743 8.525 -6.111 1.00 44.24 C ATOM 244 C GLY A 13 9.373 8.520 -4.732 1.00 62.33 C ATOM 245 O GLY A 13 10.413 7.897 -4.519 1.00 14.15 O ATOM 0 H GLY A 13 7.081 9.718 -5.654 1.00 31.32 H new ATOM 0 HA2 GLY A 13 8.184 7.600 -6.255 1.00 44.24 H new ATOM 0 HA3 GLY A 13 9.529 8.543 -6.866 1.00 44.24 H new ATOM 249 N LEU A 14 8.742 9.217 -3.793 1.00 2.04 N ATOM 250 CA LEU A 14 9.247 9.292 -2.427 1.00 35.22 C ATOM 251 C LEU A 14 8.723 8.132 -1.587 1.00 22.21 C ATOM 252 O LEU A 14 7.532 7.821 -1.616 1.00 63.01 O ATOM 253 CB LEU A 14 8.848 10.622 -1.786 1.00 3.11 C ATOM 254 CG LEU A 14 8.788 10.640 -0.259 1.00 63.23 C ATOM 255 CD1 LEU A 14 10.159 10.357 0.333 1.00 73.32 C ATOM 256 CD2 LEU A 14 8.255 11.977 0.238 1.00 74.25 C ATOM 0 H LEU A 14 7.880 9.738 -3.953 1.00 2.04 H new ATOM 0 HA LEU A 14 10.334 9.226 -2.465 1.00 35.22 H new ATOM 0 HB2 LEU A 14 9.555 11.385 -2.111 1.00 3.11 H new ATOM 0 HB3 LEU A 14 7.870 10.909 -2.171 1.00 3.11 H new ATOM 0 HG LEU A 14 8.106 9.855 0.068 1.00 63.23 H new ATOM 0 HD11 LEU A 14 10.096 10.374 1.421 1.00 73.32 H new ATOM 0 HD12 LEU A 14 10.502 9.376 0.005 1.00 73.32 H new ATOM 0 HD13 LEU A 14 10.864 11.118 -0.002 1.00 73.32 H new ATOM 0 HD21 LEU A 14 8.219 11.972 1.327 1.00 74.25 H new ATOM 0 HD22 LEU A 14 8.912 12.779 -0.100 1.00 74.25 H new ATOM 0 HD23 LEU A 14 7.252 12.139 -0.157 1.00 74.25 H new ATOM 268 N TYR A 15 9.618 7.497 -0.839 1.00 1.43 N ATOM 269 CA TYR A 15 9.245 6.371 0.009 1.00 44.30 C ATOM 270 C TYR A 15 8.781 6.852 1.380 1.00 45.45 C ATOM 271 O TYR A 15 9.256 7.868 1.891 1.00 34.25 O ATOM 272 CB TYR A 15 10.425 5.411 0.166 1.00 40.23 C ATOM 273 CG TYR A 15 10.651 4.527 -1.040 1.00 44.54 C ATOM 274 CD1 TYR A 15 11.281 5.017 -2.176 1.00 0.53 C ATOM 275 CD2 TYR A 15 10.233 3.202 -1.042 1.00 23.42 C ATOM 276 CE1 TYR A 15 11.490 4.214 -3.280 1.00 23.25 C ATOM 277 CE2 TYR A 15 10.437 2.391 -2.142 1.00 11.33 C ATOM 278 CZ TYR A 15 11.067 2.902 -3.259 1.00 72.34 C ATOM 279 OH TYR A 15 11.271 2.097 -4.356 1.00 35.42 O ATOM 0 H TYR A 15 10.607 7.743 -0.803 1.00 1.43 H new ATOM 0 HA TYR A 15 8.419 5.846 -0.471 1.00 44.30 H new ATOM 0 HB2 TYR A 15 11.329 5.989 0.357 1.00 40.23 H new ATOM 0 HB3 TYR A 15 10.257 4.782 1.041 1.00 40.23 H new ATOM 0 HD1 TYR A 15 11.614 6.044 -2.197 1.00 0.53 H new ATOM 0 HD2 TYR A 15 9.740 2.799 -0.169 1.00 23.42 H new ATOM 0 HE1 TYR A 15 11.982 4.612 -4.155 1.00 23.25 H new ATOM 0 HE2 TYR A 15 10.105 1.363 -2.128 1.00 11.33 H new ATOM 0 HH TYR A 15 10.914 1.202 -4.176 1.00 35.42 H new ATOM 289 N THR A 16 7.847 6.116 1.974 1.00 43.24 N ATOM 290 CA THR A 16 7.315 6.466 3.285 1.00 33.51 C ATOM 291 C THR A 16 6.349 5.400 3.789 1.00 42.45 C ATOM 292 O THR A 16 6.042 4.440 3.082 1.00 3.33 O ATOM 293 CB THR A 16 6.592 7.825 3.254 1.00 63.21 C ATOM 294 OG1 THR A 16 6.228 8.217 4.583 1.00 22.25 O ATOM 295 CG2 THR A 16 5.348 7.757 2.382 1.00 32.30 C ATOM 0 H THR A 16 7.443 5.272 1.567 1.00 43.24 H new ATOM 0 HA THR A 16 8.166 6.531 3.964 1.00 33.51 H new ATOM 0 HB THR A 16 7.273 8.564 2.831 1.00 63.21 H new ATOM 0 HG1 THR A 16 5.770 9.083 4.555 1.00 22.25 H new ATOM 0 HG21 THR A 16 4.854 8.729 2.376 1.00 32.30 H new ATOM 0 HG22 THR A 16 5.631 7.487 1.365 1.00 32.30 H new ATOM 0 HG23 THR A 16 4.665 7.006 2.780 1.00 32.30 H new ATOM 303 N LEU A 17 5.872 5.575 5.017 1.00 33.02 N ATOM 304 CA LEU A 17 4.939 4.627 5.617 1.00 62.32 C ATOM 305 C LEU A 17 3.648 5.324 6.034 1.00 25.22 C ATOM 306 O LEU A 17 2.741 4.699 6.583 1.00 21.30 O ATOM 307 CB LEU A 17 5.579 3.948 6.829 1.00 11.03 C ATOM 308 CG LEU A 17 6.727 2.984 6.529 1.00 23.44 C ATOM 309 CD1 LEU A 17 7.807 3.092 7.594 1.00 73.43 C ATOM 310 CD2 LEU A 17 6.212 1.555 6.432 1.00 31.34 C ATOM 0 H LEU A 17 6.116 6.364 5.616 1.00 33.02 H new ATOM 0 HA LEU A 17 4.698 3.871 4.870 1.00 62.32 H new ATOM 0 HB2 LEU A 17 5.948 4.722 7.502 1.00 11.03 H new ATOM 0 HB3 LEU A 17 4.803 3.402 7.366 1.00 11.03 H new ATOM 0 HG LEU A 17 7.164 3.258 5.569 1.00 23.44 H new ATOM 0 HD11 LEU A 17 8.616 2.399 7.364 1.00 73.43 H new ATOM 0 HD12 LEU A 17 8.197 4.110 7.615 1.00 73.43 H new ATOM 0 HD13 LEU A 17 7.384 2.845 8.568 1.00 73.43 H new ATOM 0 HD21 LEU A 17 7.043 0.883 6.218 1.00 31.34 H new ATOM 0 HD22 LEU A 17 5.749 1.270 7.377 1.00 31.34 H new ATOM 0 HD23 LEU A 17 5.475 1.487 5.632 1.00 31.34 H new ATOM 322 N LYS A 18 3.570 6.624 5.767 1.00 11.43 N ATOM 323 CA LYS A 18 2.389 7.408 6.109 1.00 75.24 C ATOM 324 C LYS A 18 1.288 7.213 5.073 1.00 64.11 C ATOM 325 O LYS A 18 0.201 7.776 5.198 1.00 4.14 O ATOM 326 CB LYS A 18 2.749 8.891 6.215 1.00 50.40 C ATOM 327 CG LYS A 18 3.721 9.202 7.341 1.00 43.35 C ATOM 328 CD LYS A 18 3.373 10.511 8.032 1.00 31.23 C ATOM 329 CE LYS A 18 4.597 11.145 8.674 1.00 23.55 C ATOM 330 NZ LYS A 18 4.252 12.385 9.421 1.00 40.21 N ATOM 0 H LYS A 18 4.312 7.157 5.314 1.00 11.43 H new ATOM 0 HA LYS A 18 2.020 7.061 7.074 1.00 75.24 H new ATOM 0 HB2 LYS A 18 3.183 9.219 5.271 1.00 50.40 H new ATOM 0 HB3 LYS A 18 1.836 9.468 6.364 1.00 50.40 H new ATOM 0 HG2 LYS A 18 3.708 8.391 8.069 1.00 43.35 H new ATOM 0 HG3 LYS A 18 4.734 9.257 6.943 1.00 43.35 H new ATOM 0 HD2 LYS A 18 2.941 11.202 7.308 1.00 31.23 H new ATOM 0 HD3 LYS A 18 2.614 10.331 8.793 1.00 31.23 H new ATOM 0 HE2 LYS A 18 5.063 10.430 9.352 1.00 23.55 H new ATOM 0 HE3 LYS A 18 5.332 11.378 7.903 1.00 23.55 H new ATOM 0 HZ1 LYS A 18 5.113 12.787 9.844 1.00 40.21 H new ATOM 0 HZ2 LYS A 18 3.831 13.077 8.769 1.00 40.21 H new ATOM 0 HZ3 LYS A 18 3.570 12.159 10.173 1.00 40.21 H new ATOM 344 N GLU A 19 1.575 6.412 4.053 1.00 14.04 N ATOM 345 CA GLU A 19 0.608 6.144 2.996 1.00 21.32 C ATOM 346 C GLU A 19 0.264 7.422 2.236 1.00 32.44 C ATOM 347 O GLU A 19 -0.669 7.448 1.433 1.00 31.51 O ATOM 348 CB GLU A 19 -0.664 5.529 3.582 1.00 55.23 C ATOM 349 CG GLU A 19 -0.412 4.275 4.403 1.00 14.21 C ATOM 350 CD GLU A 19 -1.405 3.170 4.102 1.00 23.15 C ATOM 351 OE1 GLU A 19 -1.594 2.850 2.910 1.00 71.44 O ATOM 352 OE2 GLU A 19 -1.994 2.625 5.059 1.00 4.41 O ATOM 0 H GLU A 19 2.470 5.937 3.936 1.00 14.04 H new ATOM 0 HA GLU A 19 1.057 5.437 2.299 1.00 21.32 H new ATOM 0 HB2 GLU A 19 -1.160 6.270 4.209 1.00 55.23 H new ATOM 0 HB3 GLU A 19 -1.349 5.289 2.769 1.00 55.23 H new ATOM 0 HG2 GLU A 19 0.598 3.914 4.207 1.00 14.21 H new ATOM 0 HG3 GLU A 19 -0.461 4.524 5.463 1.00 14.21 H new ATOM 359 N ILE A 20 1.024 8.481 2.496 1.00 74.53 N ATOM 360 CA ILE A 20 0.800 9.761 1.837 1.00 14.12 C ATOM 361 C ILE A 20 2.121 10.463 1.539 1.00 1.11 C ATOM 362 O ILE A 20 3.079 10.356 2.305 1.00 2.44 O ATOM 363 CB ILE A 20 -0.080 10.690 2.695 1.00 34.53 C ATOM 364 CG1 ILE A 20 -1.418 10.017 3.003 1.00 70.44 C ATOM 365 CG2 ILE A 20 -0.299 12.017 1.984 1.00 0.20 C ATOM 366 CD1 ILE A 20 -2.319 9.882 1.797 1.00 23.20 C ATOM 0 H ILE A 20 1.800 8.477 3.158 1.00 74.53 H new ATOM 0 HA ILE A 20 0.284 9.549 0.901 1.00 14.12 H new ATOM 0 HB ILE A 20 0.433 10.886 3.637 1.00 34.53 H new ATOM 0 HG12 ILE A 20 -1.230 9.027 3.418 1.00 70.44 H new ATOM 0 HG13 ILE A 20 -1.936 10.592 3.771 1.00 70.44 H new ATOM 0 HG21 ILE A 20 -0.923 12.663 2.602 1.00 0.20 H new ATOM 0 HG22 ILE A 20 0.663 12.500 1.810 1.00 0.20 H new ATOM 0 HG23 ILE A 20 -0.794 11.841 1.029 1.00 0.20 H new ATOM 0 HD11 ILE A 20 -3.249 9.396 2.091 1.00 23.20 H new ATOM 0 HD12 ILE A 20 -2.538 10.871 1.394 1.00 23.20 H new ATOM 0 HD13 ILE A 20 -1.821 9.282 1.036 1.00 23.20 H new ATOM 378 N CYS A 21 2.162 11.182 0.422 1.00 15.53 N ATOM 379 CA CYS A 21 3.366 11.904 0.023 1.00 4.33 C ATOM 380 C CYS A 21 3.382 13.307 0.621 1.00 22.31 C ATOM 381 O CYS A 21 2.587 14.173 0.256 1.00 3.44 O ATOM 382 CB CYS A 21 3.454 11.986 -1.502 1.00 24.50 C ATOM 383 SG CYS A 21 4.886 12.905 -2.111 1.00 43.51 S ATOM 0 H CYS A 21 1.377 11.281 -0.222 1.00 15.53 H new ATOM 0 HA CYS A 21 4.230 11.358 0.401 1.00 4.33 H new ATOM 0 HB2 CYS A 21 3.485 10.975 -1.908 1.00 24.50 H new ATOM 0 HB3 CYS A 21 2.546 12.455 -1.883 1.00 24.50 H new ATOM 388 N PRO A 22 4.308 13.538 1.564 1.00 73.25 N ATOM 389 CA PRO A 22 4.449 14.833 2.234 1.00 1.54 C ATOM 390 C PRO A 22 4.989 15.913 1.302 1.00 33.22 C ATOM 391 O PRO A 22 5.039 17.090 1.660 1.00 60.23 O ATOM 392 CB PRO A 22 5.451 14.546 3.356 1.00 64.40 C ATOM 393 CG PRO A 22 6.237 13.378 2.870 1.00 14.13 C ATOM 394 CD PRO A 22 5.287 12.551 2.048 1.00 1.31 C ATOM 0 HA PRO A 22 3.491 15.215 2.587 1.00 1.54 H new ATOM 0 HB2 PRO A 22 6.094 15.406 3.543 1.00 64.40 H new ATOM 0 HB3 PRO A 22 4.942 14.319 4.293 1.00 64.40 H new ATOM 0 HG2 PRO A 22 7.089 13.703 2.272 1.00 14.13 H new ATOM 0 HG3 PRO A 22 6.635 12.801 3.705 1.00 14.13 H new ATOM 0 HD2 PRO A 22 5.797 12.053 1.223 1.00 1.31 H new ATOM 0 HD3 PRO A 22 4.812 11.773 2.645 1.00 1.31 H new ATOM 402 N LYS A 23 5.392 15.504 0.104 1.00 1.34 N ATOM 403 CA LYS A 23 5.928 16.436 -0.883 1.00 70.55 C ATOM 404 C LYS A 23 4.802 17.164 -1.610 1.00 41.31 C ATOM 405 O LYS A 23 4.706 18.391 -1.554 1.00 4.14 O ATOM 406 CB LYS A 23 6.805 15.694 -1.893 1.00 72.44 C ATOM 407 CG LYS A 23 8.116 16.398 -2.193 1.00 3.35 C ATOM 408 CD LYS A 23 8.977 16.529 -0.948 1.00 35.15 C ATOM 409 CE LYS A 23 10.448 16.307 -1.263 1.00 15.04 C ATOM 410 NZ LYS A 23 11.127 17.571 -1.663 1.00 0.11 N ATOM 0 H LYS A 23 5.358 14.533 -0.208 1.00 1.34 H new ATOM 0 HA LYS A 23 6.535 17.173 -0.358 1.00 70.55 H new ATOM 0 HB2 LYS A 23 7.018 14.695 -1.512 1.00 72.44 H new ATOM 0 HB3 LYS A 23 6.249 15.569 -2.822 1.00 72.44 H new ATOM 0 HG2 LYS A 23 8.661 15.843 -2.957 1.00 3.35 H new ATOM 0 HG3 LYS A 23 7.913 17.388 -2.602 1.00 3.35 H new ATOM 0 HD2 LYS A 23 8.842 17.520 -0.513 1.00 35.15 H new ATOM 0 HD3 LYS A 23 8.651 15.806 -0.201 1.00 35.15 H new ATOM 0 HE2 LYS A 23 10.947 15.887 -0.389 1.00 15.04 H new ATOM 0 HE3 LYS A 23 10.541 15.575 -2.065 1.00 15.04 H new ATOM 0 HZ1 LYS A 23 12.128 17.377 -1.869 1.00 0.11 H new ATOM 0 HZ2 LYS A 23 10.667 17.959 -2.512 1.00 0.11 H new ATOM 0 HZ3 LYS A 23 11.061 18.261 -0.888 1.00 0.11 H new ATOM 424 N CYS A 24 3.953 16.403 -2.290 1.00 75.53 N ATOM 425 CA CYS A 24 2.832 16.976 -3.028 1.00 52.42 C ATOM 426 C CYS A 24 1.524 16.780 -2.269 1.00 75.53 C ATOM 427 O CYS A 24 0.652 17.647 -2.281 1.00 61.41 O ATOM 428 CB CYS A 24 2.732 16.342 -4.416 1.00 43.15 C ATOM 429 SG CYS A 24 2.453 14.555 -4.393 1.00 12.23 S ATOM 0 H CYS A 24 4.019 15.387 -2.346 1.00 75.53 H new ATOM 0 HA CYS A 24 3.009 18.046 -3.138 1.00 52.42 H new ATOM 0 HB2 CYS A 24 1.919 16.819 -4.964 1.00 43.15 H new ATOM 0 HB3 CYS A 24 3.651 16.549 -4.965 1.00 43.15 H new ATOM 434 N GLY A 25 1.394 15.631 -1.610 1.00 0.45 N ATOM 435 CA GLY A 25 0.188 15.340 -0.857 1.00 3.34 C ATOM 436 C GLY A 25 -0.669 14.281 -1.521 1.00 41.30 C ATOM 437 O GLY A 25 -1.888 14.270 -1.358 1.00 73.21 O ATOM 0 H GLY A 25 2.102 14.898 -1.585 1.00 0.45 H new ATOM 0 HA2 GLY A 25 0.460 15.007 0.145 1.00 3.34 H new ATOM 0 HA3 GLY A 25 -0.394 16.254 -0.742 1.00 3.34 H new ATOM 441 N GLU A 26 -0.030 13.390 -2.273 1.00 14.31 N ATOM 442 CA GLU A 26 -0.743 12.323 -2.965 1.00 0.32 C ATOM 443 C GLU A 26 -0.478 10.974 -2.304 1.00 61.43 C ATOM 444 O GLU A 26 0.656 10.655 -1.949 1.00 55.54 O ATOM 445 CB GLU A 26 -0.327 12.274 -4.436 1.00 22.44 C ATOM 446 CG GLU A 26 -0.969 11.136 -5.212 1.00 32.40 C ATOM 447 CD GLU A 26 -2.427 10.931 -4.849 1.00 52.34 C ATOM 448 OE1 GLU A 26 -3.163 11.935 -4.758 1.00 51.43 O ATOM 449 OE2 GLU A 26 -2.832 9.766 -4.655 1.00 74.01 O ATOM 0 H GLU A 26 0.980 13.386 -2.418 1.00 14.31 H new ATOM 0 HA GLU A 26 -1.811 12.534 -2.904 1.00 0.32 H new ATOM 0 HB2 GLU A 26 -0.589 13.220 -4.911 1.00 22.44 H new ATOM 0 HB3 GLU A 26 0.757 12.177 -4.495 1.00 22.44 H new ATOM 0 HG2 GLU A 26 -0.890 11.339 -6.280 1.00 32.40 H new ATOM 0 HG3 GLU A 26 -0.418 10.215 -5.021 1.00 32.40 H new ATOM 456 N LYS A 27 -1.534 10.185 -2.142 1.00 65.53 N ATOM 457 CA LYS A 27 -1.419 8.869 -1.524 1.00 32.55 C ATOM 458 C LYS A 27 -0.317 8.051 -2.189 1.00 73.11 C ATOM 459 O LYS A 27 -0.162 8.074 -3.411 1.00 15.33 O ATOM 460 CB LYS A 27 -2.751 8.120 -1.618 1.00 21.34 C ATOM 461 CG LYS A 27 -3.940 8.930 -1.133 1.00 0.33 C ATOM 462 CD LYS A 27 -4.948 8.060 -0.403 1.00 55.30 C ATOM 463 CE LYS A 27 -6.111 8.882 0.132 1.00 13.31 C ATOM 464 NZ LYS A 27 -6.870 9.546 -0.964 1.00 42.12 N ATOM 0 H LYS A 27 -2.480 10.434 -2.430 1.00 65.53 H new ATOM 0 HA LYS A 27 -1.161 9.009 -0.474 1.00 32.55 H new ATOM 0 HB2 LYS A 27 -2.921 7.826 -2.654 1.00 21.34 H new ATOM 0 HB3 LYS A 27 -2.684 7.203 -1.033 1.00 21.34 H new ATOM 0 HG2 LYS A 27 -3.595 9.723 -0.469 1.00 0.33 H new ATOM 0 HG3 LYS A 27 -4.423 9.413 -1.982 1.00 0.33 H new ATOM 0 HD2 LYS A 27 -5.324 7.292 -1.079 1.00 55.30 H new ATOM 0 HD3 LYS A 27 -4.456 7.545 0.422 1.00 55.30 H new ATOM 0 HE2 LYS A 27 -6.782 8.237 0.699 1.00 13.31 H new ATOM 0 HE3 LYS A 27 -5.735 9.637 0.823 1.00 13.31 H new ATOM 0 HZ1 LYS A 27 -7.763 9.925 -0.588 1.00 42.12 H new ATOM 0 HZ2 LYS A 27 -6.302 10.323 -1.358 1.00 42.12 H new ATOM 0 HZ3 LYS A 27 -7.076 8.854 -1.713 1.00 42.12 H new ATOM 478 N THR A 28 0.448 7.326 -1.378 1.00 41.24 N ATOM 479 CA THR A 28 1.535 6.500 -1.886 1.00 30.33 C ATOM 480 C THR A 28 1.058 5.084 -2.184 1.00 32.52 C ATOM 481 O THR A 28 0.061 4.623 -1.627 1.00 42.50 O ATOM 482 CB THR A 28 2.707 6.436 -0.888 1.00 22.14 C ATOM 483 OG1 THR A 28 2.206 6.299 0.446 1.00 13.20 O ATOM 484 CG2 THR A 28 3.570 7.686 -0.985 1.00 24.11 C ATOM 0 H THR A 28 0.334 7.295 -0.365 1.00 41.24 H new ATOM 0 HA THR A 28 1.879 6.966 -2.809 1.00 30.33 H new ATOM 0 HB THR A 28 3.321 5.570 -1.137 1.00 22.14 H new ATOM 0 HG1 THR A 28 2.940 6.417 1.085 1.00 13.20 H new ATOM 0 HG21 THR A 28 4.391 7.618 -0.271 1.00 24.11 H new ATOM 0 HG22 THR A 28 3.973 7.772 -1.994 1.00 24.11 H new ATOM 0 HG23 THR A 28 2.965 8.564 -0.759 1.00 24.11 H new ATOM 492 N VAL A 29 1.776 4.395 -3.065 1.00 34.12 N ATOM 493 CA VAL A 29 1.427 3.028 -3.435 1.00 61.01 C ATOM 494 C VAL A 29 2.641 2.109 -3.356 1.00 2.13 C ATOM 495 O VAL A 29 3.779 2.556 -3.503 1.00 12.04 O ATOM 496 CB VAL A 29 0.840 2.964 -4.857 1.00 22.30 C ATOM 497 CG1 VAL A 29 -0.332 3.924 -4.995 1.00 41.23 C ATOM 498 CG2 VAL A 29 1.914 3.269 -5.890 1.00 4.24 C ATOM 0 H VAL A 29 2.603 4.761 -3.536 1.00 34.12 H new ATOM 0 HA VAL A 29 0.674 2.691 -2.723 1.00 61.01 H new ATOM 0 HB VAL A 29 0.473 1.953 -5.035 1.00 22.30 H new ATOM 0 HG11 VAL A 29 -0.734 3.865 -6.007 1.00 41.23 H new ATOM 0 HG12 VAL A 29 -1.109 3.655 -4.280 1.00 41.23 H new ATOM 0 HG13 VAL A 29 0.006 4.941 -4.798 1.00 41.23 H new ATOM 0 HG21 VAL A 29 1.482 3.219 -6.890 1.00 4.24 H new ATOM 0 HG22 VAL A 29 2.313 4.268 -5.716 1.00 4.24 H new ATOM 0 HG23 VAL A 29 2.718 2.538 -5.806 1.00 4.24 H new ATOM 508 N ILE A 30 2.391 0.825 -3.124 1.00 13.33 N ATOM 509 CA ILE A 30 3.464 -0.156 -3.028 1.00 11.44 C ATOM 510 C ILE A 30 4.255 -0.235 -4.330 1.00 52.01 C ATOM 511 O ILE A 30 3.756 -0.681 -5.362 1.00 31.32 O ATOM 512 CB ILE A 30 2.919 -1.555 -2.687 1.00 41.03 C ATOM 513 CG1 ILE A 30 2.124 -1.512 -1.379 1.00 34.14 C ATOM 514 CG2 ILE A 30 4.058 -2.558 -2.588 1.00 73.13 C ATOM 515 CD1 ILE A 30 2.925 -0.998 -0.203 1.00 64.03 C ATOM 0 H ILE A 30 1.455 0.440 -2.999 1.00 13.33 H new ATOM 0 HA ILE A 30 4.122 0.175 -2.225 1.00 11.44 H new ATOM 0 HB ILE A 30 2.250 -1.873 -3.487 1.00 41.03 H new ATOM 0 HG12 ILE A 30 1.248 -0.879 -1.516 1.00 34.14 H new ATOM 0 HG13 ILE A 30 1.760 -2.514 -1.151 1.00 34.14 H new ATOM 0 HG21 ILE A 30 3.656 -3.542 -2.346 1.00 73.13 H new ATOM 0 HG22 ILE A 30 4.585 -2.605 -3.541 1.00 73.13 H new ATOM 0 HG23 ILE A 30 4.750 -2.247 -1.806 1.00 73.13 H new ATOM 0 HD11 ILE A 30 2.299 -0.995 0.690 1.00 64.03 H new ATOM 0 HD12 ILE A 30 3.787 -1.645 -0.040 1.00 64.03 H new ATOM 0 HD13 ILE A 30 3.266 0.016 -0.411 1.00 64.03 H new ATOM 527 N PRO A 31 5.521 0.206 -4.281 1.00 41.43 N ATOM 528 CA PRO A 31 6.410 0.194 -5.446 1.00 64.20 C ATOM 529 C PRO A 31 6.814 -1.219 -5.851 1.00 12.45 C ATOM 530 O PRO A 31 6.291 -2.201 -5.325 1.00 72.22 O ATOM 531 CB PRO A 31 7.630 0.985 -4.970 1.00 54.41 C ATOM 532 CG PRO A 31 7.628 0.830 -3.488 1.00 60.11 C ATOM 533 CD PRO A 31 6.182 0.751 -3.083 1.00 41.14 C ATOM 0 HA PRO A 31 5.931 0.616 -6.329 1.00 64.20 H new ATOM 0 HB2 PRO A 31 8.549 0.596 -5.407 1.00 54.41 H new ATOM 0 HB3 PRO A 31 7.559 2.034 -5.258 1.00 54.41 H new ATOM 0 HG2 PRO A 31 8.167 -0.069 -3.189 1.00 60.11 H new ATOM 0 HG3 PRO A 31 8.123 1.673 -3.007 1.00 60.11 H new ATOM 0 HD2 PRO A 31 6.042 0.104 -2.217 1.00 41.14 H new ATOM 0 HD3 PRO A 31 5.785 1.731 -2.816 1.00 41.14 H new ATOM 541 N LYS A 32 7.751 -1.315 -6.789 1.00 14.21 N ATOM 542 CA LYS A 32 8.230 -2.608 -7.263 1.00 23.24 C ATOM 543 C LYS A 32 9.691 -2.822 -6.881 1.00 41.34 C ATOM 544 O LYS A 32 10.596 -2.714 -7.708 1.00 55.42 O ATOM 545 CB LYS A 32 8.069 -2.707 -8.783 1.00 53.22 C ATOM 546 CG LYS A 32 6.835 -3.481 -9.214 1.00 30.41 C ATOM 547 CD LYS A 32 6.781 -3.645 -10.724 1.00 63.22 C ATOM 548 CE LYS A 32 6.231 -2.399 -11.401 1.00 42.13 C ATOM 549 NZ LYS A 32 6.170 -2.553 -12.880 1.00 3.30 N ATOM 0 H LYS A 32 8.194 -0.512 -7.236 1.00 14.21 H new ATOM 0 HA LYS A 32 7.632 -3.386 -6.788 1.00 23.24 H new ATOM 0 HB2 LYS A 32 8.022 -1.702 -9.201 1.00 53.22 H new ATOM 0 HB3 LYS A 32 8.953 -3.186 -9.203 1.00 53.22 H new ATOM 0 HG2 LYS A 32 6.836 -4.463 -8.740 1.00 30.41 H new ATOM 0 HG3 LYS A 32 5.940 -2.962 -8.871 1.00 30.41 H new ATOM 0 HD2 LYS A 32 7.781 -3.856 -11.104 1.00 63.22 H new ATOM 0 HD3 LYS A 32 6.157 -4.503 -10.976 1.00 63.22 H new ATOM 0 HE2 LYS A 32 5.233 -2.187 -11.016 1.00 42.13 H new ATOM 0 HE3 LYS A 32 6.858 -1.543 -11.151 1.00 42.13 H new ATOM 0 HZ1 LYS A 32 5.790 -1.683 -13.304 1.00 3.30 H new ATOM 0 HZ2 LYS A 32 7.126 -2.730 -13.250 1.00 3.30 H new ATOM 0 HZ3 LYS A 32 5.552 -3.354 -13.120 1.00 3.30 H new ATOM 563 N PRO A 33 9.927 -3.134 -5.599 1.00 53.22 N ATOM 564 CA PRO A 33 11.277 -3.373 -5.077 1.00 24.14 C ATOM 565 C PRO A 33 11.883 -4.668 -5.607 1.00 45.32 C ATOM 566 O PRO A 33 11.199 -5.504 -6.197 1.00 33.44 O ATOM 567 CB PRO A 33 11.063 -3.461 -3.564 1.00 32.44 C ATOM 568 CG PRO A 33 9.646 -3.893 -3.407 1.00 1.31 C ATOM 569 CD PRO A 33 8.897 -3.280 -4.557 1.00 64.33 C ATOM 0 HA PRO A 33 11.974 -2.591 -5.377 1.00 24.14 H new ATOM 0 HB2 PRO A 33 11.748 -4.176 -3.108 1.00 32.44 H new ATOM 0 HB3 PRO A 33 11.239 -2.499 -3.082 1.00 32.44 H new ATOM 0 HG2 PRO A 33 9.565 -4.980 -3.424 1.00 1.31 H new ATOM 0 HG3 PRO A 33 9.239 -3.558 -2.453 1.00 1.31 H new ATOM 0 HD2 PRO A 33 8.078 -3.918 -4.889 1.00 64.33 H new ATOM 0 HD3 PRO A 33 8.462 -2.318 -4.285 1.00 64.33 H new ATOM 577 N PRO A 34 13.195 -4.840 -5.392 1.00 52.30 N ATOM 578 CA PRO A 34 13.921 -6.032 -5.839 1.00 14.14 C ATOM 579 C PRO A 34 13.530 -7.278 -5.053 1.00 40.15 C ATOM 580 O PRO A 34 12.709 -7.215 -4.137 1.00 43.31 O ATOM 581 CB PRO A 34 15.386 -5.674 -5.579 1.00 75.11 C ATOM 582 CG PRO A 34 15.341 -4.663 -4.485 1.00 22.23 C ATOM 583 CD PRO A 34 14.072 -3.884 -4.695 1.00 4.42 C ATOM 0 HA PRO A 34 13.705 -6.273 -6.880 1.00 14.14 H new ATOM 0 HB2 PRO A 34 15.961 -6.551 -5.284 1.00 75.11 H new ATOM 0 HB3 PRO A 34 15.859 -5.269 -6.473 1.00 75.11 H new ATOM 0 HG2 PRO A 34 15.346 -5.145 -3.507 1.00 22.23 H new ATOM 0 HG3 PRO A 34 16.212 -4.008 -4.522 1.00 22.23 H new ATOM 0 HD2 PRO A 34 13.639 -3.558 -3.749 1.00 4.42 H new ATOM 0 HD3 PRO A 34 14.245 -2.988 -5.292 1.00 4.42 H new ATOM 591 N LYS A 35 14.122 -8.411 -5.414 1.00 74.11 N ATOM 592 CA LYS A 35 13.837 -9.673 -4.741 1.00 63.20 C ATOM 593 C LYS A 35 14.781 -9.886 -3.562 1.00 20.42 C ATOM 594 O LYS A 35 14.426 -10.538 -2.580 1.00 22.52 O ATOM 595 CB LYS A 35 13.960 -10.839 -5.725 1.00 4.52 C ATOM 596 CG LYS A 35 13.217 -10.614 -7.032 1.00 55.50 C ATOM 597 CD LYS A 35 14.113 -9.974 -8.079 1.00 33.31 C ATOM 598 CE LYS A 35 13.683 -10.355 -9.487 1.00 63.12 C ATOM 599 NZ LYS A 35 14.689 -9.943 -10.505 1.00 31.24 N ATOM 0 H LYS A 35 14.803 -8.481 -6.170 1.00 74.11 H new ATOM 0 HA LYS A 35 12.816 -9.632 -4.363 1.00 63.20 H new ATOM 0 HB2 LYS A 35 15.014 -11.011 -5.941 1.00 4.52 H new ATOM 0 HB3 LYS A 35 13.580 -11.744 -5.252 1.00 4.52 H new ATOM 0 HG2 LYS A 35 12.841 -11.566 -7.406 1.00 55.50 H new ATOM 0 HG3 LYS A 35 12.351 -9.977 -6.854 1.00 55.50 H new ATOM 0 HD2 LYS A 35 14.085 -8.890 -7.970 1.00 33.31 H new ATOM 0 HD3 LYS A 35 15.145 -10.285 -7.916 1.00 33.31 H new ATOM 0 HE2 LYS A 35 13.532 -11.433 -9.541 1.00 63.12 H new ATOM 0 HE3 LYS A 35 12.725 -9.887 -9.713 1.00 63.12 H new ATOM 0 HZ1 LYS A 35 14.359 -10.221 -11.451 1.00 31.24 H new ATOM 0 HZ2 LYS A 35 14.815 -8.911 -10.471 1.00 31.24 H new ATOM 0 HZ3 LYS A 35 15.597 -10.409 -10.304 1.00 31.24 H new ATOM 613 N PHE A 36 15.985 -9.333 -3.667 1.00 62.42 N ATOM 614 CA PHE A 36 16.980 -9.464 -2.609 1.00 5.42 C ATOM 615 C PHE A 36 16.405 -9.023 -1.265 1.00 74.21 C ATOM 616 O PHE A 36 16.147 -7.840 -1.045 1.00 32.21 O ATOM 617 CB PHE A 36 18.220 -8.632 -2.942 1.00 34.31 C ATOM 618 CG PHE A 36 19.071 -9.233 -4.025 1.00 14.51 C ATOM 619 CD1 PHE A 36 18.718 -9.099 -5.357 1.00 45.42 C ATOM 620 CD2 PHE A 36 20.225 -9.931 -3.709 1.00 34.32 C ATOM 621 CE1 PHE A 36 19.499 -9.651 -6.355 1.00 64.00 C ATOM 622 CE2 PHE A 36 21.011 -10.486 -4.703 1.00 52.13 C ATOM 623 CZ PHE A 36 20.647 -10.344 -6.027 1.00 61.03 C ATOM 0 H PHE A 36 16.295 -8.790 -4.473 1.00 62.42 H new ATOM 0 HA PHE A 36 17.263 -10.514 -2.537 1.00 5.42 H new ATOM 0 HB2 PHE A 36 17.907 -7.634 -3.249 1.00 34.31 H new ATOM 0 HB3 PHE A 36 18.822 -8.514 -2.041 1.00 34.31 H new ATOM 0 HD1 PHE A 36 17.822 -8.557 -5.619 1.00 45.42 H new ATOM 0 HD2 PHE A 36 20.515 -10.043 -2.675 1.00 34.32 H new ATOM 0 HE1 PHE A 36 19.211 -9.540 -7.390 1.00 64.00 H new ATOM 0 HE2 PHE A 36 21.908 -11.029 -4.444 1.00 52.13 H new ATOM 0 HZ PHE A 36 21.260 -10.775 -6.805 1.00 61.03 H new ATOM 633 N SER A 37 16.208 -9.986 -0.370 1.00 34.50 N ATOM 634 CA SER A 37 15.660 -9.700 0.951 1.00 31.34 C ATOM 635 C SER A 37 16.105 -10.752 1.962 1.00 52.23 C ATOM 636 O SER A 37 16.430 -11.883 1.598 1.00 63.33 O ATOM 637 CB SER A 37 14.132 -9.647 0.892 1.00 51.03 C ATOM 638 OG SER A 37 13.610 -8.837 1.931 1.00 74.32 O ATOM 0 H SER A 37 16.419 -10.970 -0.535 1.00 34.50 H new ATOM 0 HA SER A 37 16.038 -8.729 1.272 1.00 31.34 H new ATOM 0 HB2 SER A 37 13.816 -9.254 -0.074 1.00 51.03 H new ATOM 0 HB3 SER A 37 13.726 -10.655 0.974 1.00 51.03 H new ATOM 0 HG SER A 37 12.632 -8.818 1.871 1.00 74.32 H new ATOM 644 N LEU A 38 16.118 -10.371 3.235 1.00 75.41 N ATOM 645 CA LEU A 38 16.523 -11.280 4.302 1.00 73.42 C ATOM 646 C LEU A 38 15.483 -12.379 4.506 1.00 2.31 C ATOM 647 O LEU A 38 15.812 -13.486 4.932 1.00 4.30 O ATOM 648 CB LEU A 38 16.729 -10.509 5.606 1.00 22.11 C ATOM 649 CG LEU A 38 18.137 -9.967 5.851 1.00 33.03 C ATOM 650 CD1 LEU A 38 19.115 -11.108 6.087 1.00 42.33 C ATOM 651 CD2 LEU A 38 18.590 -9.109 4.678 1.00 34.41 C ATOM 0 H LEU A 38 15.853 -9.439 3.553 1.00 75.41 H new ATOM 0 HA LEU A 38 17.464 -11.746 4.010 1.00 73.42 H new ATOM 0 HB2 LEU A 38 16.031 -9.672 5.624 1.00 22.11 H new ATOM 0 HB3 LEU A 38 16.464 -11.163 6.437 1.00 22.11 H new ATOM 0 HG LEU A 38 18.115 -9.344 6.745 1.00 33.03 H new ATOM 0 HD11 LEU A 38 20.112 -10.703 6.260 1.00 42.33 H new ATOM 0 HD12 LEU A 38 18.801 -11.682 6.959 1.00 42.33 H new ATOM 0 HD13 LEU A 38 19.134 -11.758 5.212 1.00 42.33 H new ATOM 0 HD21 LEU A 38 19.594 -8.732 4.870 1.00 34.41 H new ATOM 0 HD22 LEU A 38 18.596 -9.710 3.769 1.00 34.41 H new ATOM 0 HD23 LEU A 38 17.905 -8.270 4.555 1.00 34.41 H new ATOM 663 N GLU A 39 14.230 -12.063 4.197 1.00 64.12 N ATOM 664 CA GLU A 39 13.143 -13.024 4.345 1.00 64.33 C ATOM 665 C GLU A 39 12.314 -13.111 3.066 1.00 52.42 C ATOM 666 O GLU A 39 11.694 -12.133 2.648 1.00 50.04 O ATOM 667 CB GLU A 39 12.245 -12.635 5.522 1.00 5.44 C ATOM 668 CG GLU A 39 13.015 -12.235 6.769 1.00 32.30 C ATOM 669 CD GLU A 39 12.107 -11.956 7.951 1.00 0.32 C ATOM 670 OE1 GLU A 39 10.920 -12.340 7.889 1.00 52.44 O ATOM 671 OE2 GLU A 39 12.583 -11.354 8.935 1.00 72.14 O ATOM 0 H GLU A 39 13.942 -11.151 3.843 1.00 64.12 H new ATOM 0 HA GLU A 39 13.582 -14.002 4.540 1.00 64.33 H new ATOM 0 HB2 GLU A 39 11.603 -11.807 5.220 1.00 5.44 H new ATOM 0 HB3 GLU A 39 11.592 -13.474 5.762 1.00 5.44 H new ATOM 0 HG2 GLU A 39 13.713 -13.030 7.031 1.00 32.30 H new ATOM 0 HG3 GLU A 39 13.610 -11.347 6.555 1.00 32.30 H new ATOM 678 N ASP A 40 12.311 -14.288 2.449 1.00 44.11 N ATOM 679 CA ASP A 40 11.560 -14.503 1.219 1.00 24.03 C ATOM 680 C ASP A 40 10.932 -15.893 1.201 1.00 35.14 C ATOM 681 O ASP A 40 11.618 -16.897 1.401 1.00 24.04 O ATOM 682 CB ASP A 40 12.471 -14.325 0.002 1.00 64.41 C ATOM 683 CG ASP A 40 12.873 -12.880 -0.213 1.00 24.51 C ATOM 684 OD1 ASP A 40 11.988 -12.001 -0.144 1.00 43.01 O ATOM 685 OD2 ASP A 40 14.072 -12.627 -0.451 1.00 74.33 O ATOM 0 H ASP A 40 12.820 -15.107 2.781 1.00 44.11 H new ATOM 0 HA ASP A 40 10.761 -13.763 1.176 1.00 24.03 H new ATOM 0 HB2 ASP A 40 13.367 -14.933 0.130 1.00 64.41 H new ATOM 0 HB3 ASP A 40 11.960 -14.693 -0.888 1.00 64.41 H new ATOM 690 N ARG A 41 9.626 -15.945 0.963 1.00 1.04 N ATOM 691 CA ARG A 41 8.907 -17.212 0.921 1.00 75.35 C ATOM 692 C ARG A 41 9.473 -18.125 -0.163 1.00 53.14 C ATOM 693 O ARG A 41 9.495 -19.346 -0.012 1.00 54.05 O ATOM 694 CB ARG A 41 7.417 -16.969 0.671 1.00 75.25 C ATOM 695 CG ARG A 41 6.525 -18.098 1.162 1.00 31.31 C ATOM 696 CD ARG A 41 5.061 -17.686 1.175 1.00 34.22 C ATOM 697 NE ARG A 41 4.175 -18.822 1.419 1.00 34.24 N ATOM 698 CZ ARG A 41 2.886 -18.830 1.100 1.00 5.11 C ATOM 699 NH1 ARG A 41 2.335 -17.768 0.526 1.00 55.01 N ATOM 700 NH2 ARG A 41 2.146 -19.900 1.353 1.00 63.42 N ATOM 0 H ARG A 41 9.044 -15.124 0.796 1.00 1.04 H new ATOM 0 HA ARG A 41 9.032 -17.703 1.886 1.00 75.35 H new ATOM 0 HB2 ARG A 41 7.121 -16.043 1.164 1.00 75.25 H new ATOM 0 HB3 ARG A 41 7.255 -16.828 -0.398 1.00 75.25 H new ATOM 0 HG2 ARG A 41 6.653 -18.970 0.520 1.00 31.31 H new ATOM 0 HG3 ARG A 41 6.830 -18.394 2.166 1.00 31.31 H new ATOM 0 HD2 ARG A 41 4.904 -16.931 1.946 1.00 34.22 H new ATOM 0 HD3 ARG A 41 4.805 -17.225 0.221 1.00 34.22 H new ATOM 0 HE ARG A 41 4.568 -19.654 1.858 1.00 34.24 H new ATOM 0 HH11 ARG A 41 2.902 -16.943 0.329 1.00 55.01 H new ATOM 0 HH12 ARG A 41 1.345 -17.777 0.282 1.00 55.01 H new ATOM 0 HH21 ARG A 41 2.566 -20.718 1.793 1.00 63.42 H new ATOM 0 HH22 ARG A 41 1.156 -19.905 1.108 1.00 63.42 H new ATOM 714 N TRP A 42 9.929 -17.523 -1.256 1.00 30.00 N ATOM 715 CA TRP A 42 10.495 -18.282 -2.366 1.00 61.21 C ATOM 716 C TRP A 42 12.013 -18.362 -2.253 1.00 44.14 C ATOM 717 O TRP A 42 12.706 -18.619 -3.236 1.00 62.55 O ATOM 718 CB TRP A 42 10.103 -17.643 -3.699 1.00 51.21 C ATOM 719 CG TRP A 42 8.640 -17.334 -3.803 1.00 41.33 C ATOM 720 CD1 TRP A 42 8.078 -16.152 -4.194 1.00 41.51 C ATOM 721 CD2 TRP A 42 7.555 -18.219 -3.509 1.00 43.04 C ATOM 722 NE1 TRP A 42 6.708 -16.250 -4.160 1.00 20.22 N ATOM 723 CE2 TRP A 42 6.361 -17.508 -3.745 1.00 51.32 C ATOM 724 CE3 TRP A 42 7.473 -19.543 -3.072 1.00 75.13 C ATOM 725 CZ2 TRP A 42 5.105 -18.079 -3.555 1.00 23.34 C ATOM 726 CZ3 TRP A 42 6.226 -20.109 -2.884 1.00 51.12 C ATOM 727 CH2 TRP A 42 5.056 -19.377 -3.127 1.00 22.21 C ATOM 0 H TRP A 42 9.918 -16.513 -1.397 1.00 30.00 H new ATOM 0 HA TRP A 42 10.093 -19.294 -2.324 1.00 61.21 H new ATOM 0 HB2 TRP A 42 10.672 -16.723 -3.834 1.00 51.21 H new ATOM 0 HB3 TRP A 42 10.384 -18.313 -4.511 1.00 51.21 H new ATOM 0 HD1 TRP A 42 8.629 -15.271 -4.487 1.00 41.51 H new ATOM 0 HE1 TRP A 42 6.055 -15.506 -4.404 1.00 20.22 H new ATOM 0 HE3 TRP A 42 8.369 -20.115 -2.884 1.00 75.13 H new ATOM 0 HZ2 TRP A 42 4.202 -17.517 -3.739 1.00 23.34 H new ATOM 0 HZ3 TRP A 42 6.152 -21.132 -2.544 1.00 51.12 H new ATOM 0 HH2 TRP A 42 4.096 -19.847 -2.973 1.00 22.21 H new ATOM 738 N GLY A 43 12.525 -18.139 -1.046 1.00 2.42 N ATOM 739 CA GLY A 43 13.959 -18.190 -0.827 1.00 32.20 C ATOM 740 C GLY A 43 14.578 -19.476 -1.341 1.00 43.53 C ATOM 741 O GLY A 43 15.745 -19.499 -1.730 1.00 35.05 O ATOM 0 H GLY A 43 11.972 -17.924 -0.216 1.00 2.42 H new ATOM 0 HA2 GLY A 43 14.430 -17.340 -1.322 1.00 32.20 H new ATOM 0 HA3 GLY A 43 14.165 -18.092 0.239 1.00 32.20 H new ATOM 745 N LYS A 44 13.795 -20.549 -1.340 1.00 53.01 N ATOM 746 CA LYS A 44 14.272 -21.845 -1.808 1.00 44.33 C ATOM 747 C LYS A 44 14.049 -21.996 -3.310 1.00 42.11 C ATOM 748 O LYS A 44 14.759 -22.747 -3.979 1.00 21.51 O ATOM 749 CB LYS A 44 13.560 -22.974 -1.060 1.00 43.22 C ATOM 750 CG LYS A 44 13.912 -23.043 0.415 1.00 51.41 C ATOM 751 CD LYS A 44 15.286 -23.658 0.633 1.00 65.33 C ATOM 752 CE LYS A 44 15.250 -25.170 0.471 1.00 14.43 C ATOM 753 NZ LYS A 44 16.382 -25.830 1.179 1.00 50.43 N ATOM 0 H LYS A 44 12.826 -20.547 -1.020 1.00 53.01 H new ATOM 0 HA LYS A 44 15.342 -21.904 -1.609 1.00 44.33 H new ATOM 0 HB2 LYS A 44 12.483 -22.843 -1.162 1.00 43.22 H new ATOM 0 HB3 LYS A 44 13.812 -23.925 -1.530 1.00 43.22 H new ATOM 0 HG2 LYS A 44 13.889 -22.041 0.843 1.00 51.41 H new ATOM 0 HG3 LYS A 44 13.161 -23.632 0.942 1.00 51.41 H new ATOM 0 HD2 LYS A 44 15.994 -23.231 -0.077 1.00 65.33 H new ATOM 0 HD3 LYS A 44 15.645 -23.406 1.631 1.00 65.33 H new ATOM 0 HE2 LYS A 44 14.306 -25.554 0.857 1.00 14.43 H new ATOM 0 HE3 LYS A 44 15.287 -25.423 -0.589 1.00 14.43 H new ATOM 0 HZ1 LYS A 44 16.322 -26.860 1.045 1.00 50.43 H new ATOM 0 HZ2 LYS A 44 17.283 -25.482 0.793 1.00 50.43 H new ATOM 0 HZ3 LYS A 44 16.332 -25.610 2.194 1.00 50.43 H new ATOM 767 N TYR A 45 13.062 -21.277 -3.832 1.00 33.23 N ATOM 768 CA TYR A 45 12.746 -21.332 -5.254 1.00 31.21 C ATOM 769 C TYR A 45 13.987 -21.063 -6.099 1.00 51.30 C ATOM 770 O TYR A 45 14.105 -21.550 -7.224 1.00 4.40 O ATOM 771 CB TYR A 45 11.653 -20.318 -5.595 1.00 10.12 C ATOM 772 CG TYR A 45 10.877 -20.662 -6.846 1.00 45.32 C ATOM 773 CD1 TYR A 45 11.433 -20.481 -8.105 1.00 1.34 C ATOM 774 CD2 TYR A 45 9.585 -21.169 -6.767 1.00 25.21 C ATOM 775 CE1 TYR A 45 10.727 -20.793 -9.251 1.00 42.11 C ATOM 776 CE2 TYR A 45 8.871 -21.486 -7.908 1.00 52.30 C ATOM 777 CZ TYR A 45 9.447 -21.295 -9.147 1.00 24.11 C ATOM 778 OH TYR A 45 8.741 -21.609 -10.286 1.00 44.15 O ATOM 0 H TYR A 45 12.467 -20.649 -3.292 1.00 33.23 H new ATOM 0 HA TYR A 45 12.385 -22.335 -5.481 1.00 31.21 H new ATOM 0 HB2 TYR A 45 10.961 -20.247 -4.756 1.00 10.12 H new ATOM 0 HB3 TYR A 45 12.107 -19.335 -5.718 1.00 10.12 H new ATOM 0 HD1 TYR A 45 12.436 -20.089 -8.190 1.00 1.34 H new ATOM 0 HD2 TYR A 45 9.131 -21.318 -5.798 1.00 25.21 H new ATOM 0 HE1 TYR A 45 11.175 -20.645 -10.222 1.00 42.11 H new ATOM 0 HE2 TYR A 45 7.869 -21.881 -7.830 1.00 52.30 H new ATOM 0 HH TYR A 45 7.857 -21.952 -10.039 1.00 44.15 H new ATOM 788 N ARG A 46 14.912 -20.284 -5.548 1.00 3.22 N ATOM 789 CA ARG A 46 16.145 -19.948 -6.250 1.00 12.41 C ATOM 790 C ARG A 46 16.847 -21.207 -6.748 1.00 20.14 C ATOM 791 O ARG A 46 17.489 -21.197 -7.800 1.00 73.44 O ATOM 792 CB ARG A 46 17.081 -19.159 -5.331 1.00 33.54 C ATOM 793 CG ARG A 46 18.473 -18.960 -5.907 1.00 33.55 C ATOM 794 CD ARG A 46 19.259 -17.924 -5.119 1.00 2.45 C ATOM 795 NE ARG A 46 18.761 -16.570 -5.347 1.00 11.51 N ATOM 796 CZ ARG A 46 19.280 -15.490 -4.774 1.00 53.52 C ATOM 797 NH1 ARG A 46 20.307 -15.604 -3.944 1.00 51.04 N ATOM 798 NH2 ARG A 46 18.772 -14.291 -5.031 1.00 22.53 N ATOM 0 H ARG A 46 14.831 -19.874 -4.618 1.00 3.22 H new ATOM 0 HA ARG A 46 15.887 -19.332 -7.111 1.00 12.41 H new ATOM 0 HB2 ARG A 46 16.639 -18.184 -5.126 1.00 33.54 H new ATOM 0 HB3 ARG A 46 17.163 -19.679 -4.376 1.00 33.54 H new ATOM 0 HG2 ARG A 46 19.010 -19.909 -5.900 1.00 33.55 H new ATOM 0 HG3 ARG A 46 18.396 -18.645 -6.948 1.00 33.55 H new ATOM 0 HD2 ARG A 46 19.202 -18.157 -4.056 1.00 2.45 H new ATOM 0 HD3 ARG A 46 20.311 -17.976 -5.400 1.00 2.45 H new ATOM 0 HE ARG A 46 17.971 -16.447 -5.981 1.00 11.51 H new ATOM 0 HH11 ARG A 46 20.701 -16.523 -3.744 1.00 51.04 H new ATOM 0 HH12 ARG A 46 20.703 -14.773 -3.506 1.00 51.04 H new ATOM 0 HH21 ARG A 46 17.982 -14.198 -5.669 1.00 22.53 H new ATOM 0 HH22 ARG A 46 19.172 -13.463 -4.590 1.00 22.53 H new ATOM 812 N ARG A 47 16.721 -22.291 -5.988 1.00 4.51 N ATOM 813 CA ARG A 47 17.344 -23.557 -6.353 1.00 40.32 C ATOM 814 C ARG A 47 16.855 -24.030 -7.718 1.00 12.14 C ATOM 815 O ARG A 47 17.591 -24.679 -8.460 1.00 34.12 O ATOM 816 CB ARG A 47 17.044 -24.619 -5.294 1.00 73.33 C ATOM 817 CG ARG A 47 18.069 -24.670 -4.173 1.00 71.54 C ATOM 818 CD ARG A 47 19.369 -25.309 -4.636 1.00 52.30 C ATOM 819 NE ARG A 47 20.339 -25.424 -3.550 1.00 63.35 N ATOM 820 CZ ARG A 47 21.384 -26.244 -3.581 1.00 23.23 C ATOM 821 NH1 ARG A 47 21.594 -27.014 -4.640 1.00 63.11 N ATOM 822 NH2 ARG A 47 22.222 -26.293 -2.554 1.00 3.23 N ATOM 0 H ARG A 47 16.193 -22.317 -5.116 1.00 4.51 H new ATOM 0 HA ARG A 47 18.422 -23.402 -6.408 1.00 40.32 H new ATOM 0 HB2 ARG A 47 16.060 -24.425 -4.866 1.00 73.33 H new ATOM 0 HB3 ARG A 47 16.996 -25.596 -5.775 1.00 73.33 H new ATOM 0 HG2 ARG A 47 18.267 -23.660 -3.813 1.00 71.54 H new ATOM 0 HG3 ARG A 47 17.664 -25.234 -3.333 1.00 71.54 H new ATOM 0 HD2 ARG A 47 19.162 -26.299 -5.043 1.00 52.30 H new ATOM 0 HD3 ARG A 47 19.797 -24.715 -5.443 1.00 52.30 H new ATOM 0 HE ARG A 47 20.207 -24.843 -2.722 1.00 63.35 H new ATOM 0 HH11 ARG A 47 20.953 -26.977 -5.432 1.00 63.11 H new ATOM 0 HH12 ARG A 47 22.397 -27.643 -4.662 1.00 63.11 H new ATOM 0 HH21 ARG A 47 22.065 -25.701 -1.739 1.00 3.23 H new ATOM 0 HH22 ARG A 47 23.024 -26.923 -2.580 1.00 3.23 H new ATOM 836 N MET A 48 15.609 -23.701 -8.042 1.00 53.54 N ATOM 837 CA MET A 48 15.023 -24.092 -9.318 1.00 43.20 C ATOM 838 C MET A 48 15.109 -22.952 -10.328 1.00 71.53 C ATOM 839 O MET A 48 15.131 -23.182 -11.538 1.00 42.41 O ATOM 840 CB MET A 48 13.564 -24.510 -9.127 1.00 43.02 C ATOM 841 CG MET A 48 13.045 -25.426 -10.223 1.00 72.13 C ATOM 842 SD MET A 48 13.453 -27.158 -9.932 1.00 71.23 S ATOM 843 CE MET A 48 15.022 -27.284 -10.785 1.00 34.23 C ATOM 0 H MET A 48 14.986 -23.165 -7.438 1.00 53.54 H new ATOM 0 HA MET A 48 15.589 -24.940 -9.704 1.00 43.20 H new ATOM 0 HB2 MET A 48 13.462 -25.013 -8.166 1.00 43.02 H new ATOM 0 HB3 MET A 48 12.941 -23.616 -9.087 1.00 43.02 H new ATOM 0 HG2 MET A 48 11.963 -25.319 -10.298 1.00 72.13 H new ATOM 0 HG3 MET A 48 13.463 -25.114 -11.180 1.00 72.13 H new ATOM 0 HE1 MET A 48 15.067 -28.229 -11.327 1.00 34.23 H new ATOM 0 HE2 MET A 48 15.121 -26.457 -11.488 1.00 34.23 H new ATOM 0 HE3 MET A 48 15.835 -27.243 -10.060 1.00 34.23 H new ATOM 853 N LEU A 49 15.156 -21.724 -9.824 1.00 41.31 N ATOM 854 CA LEU A 49 15.240 -20.547 -10.683 1.00 20.01 C ATOM 855 C LEU A 49 16.388 -20.680 -11.678 1.00 41.41 C ATOM 856 O LEU A 49 16.326 -20.154 -12.789 1.00 44.14 O ATOM 857 CB LEU A 49 15.425 -19.286 -9.838 1.00 55.24 C ATOM 858 CG LEU A 49 14.858 -17.995 -10.425 1.00 3.41 C ATOM 859 CD1 LEU A 49 14.639 -16.960 -9.332 1.00 61.20 C ATOM 860 CD2 LEU A 49 15.784 -17.446 -11.502 1.00 65.33 C ATOM 0 H LEU A 49 15.137 -21.517 -8.825 1.00 41.31 H new ATOM 0 HA LEU A 49 14.307 -20.468 -11.241 1.00 20.01 H new ATOM 0 HB2 LEU A 49 14.962 -19.453 -8.866 1.00 55.24 H new ATOM 0 HB3 LEU A 49 16.491 -19.144 -9.663 1.00 55.24 H new ATOM 0 HG LEU A 49 13.894 -18.221 -10.881 1.00 3.41 H new ATOM 0 HD11 LEU A 49 14.235 -16.048 -9.771 1.00 61.20 H new ATOM 0 HD12 LEU A 49 13.936 -17.351 -8.596 1.00 61.20 H new ATOM 0 HD13 LEU A 49 15.589 -16.739 -8.845 1.00 61.20 H new ATOM 0 HD21 LEU A 49 15.364 -16.526 -11.909 1.00 65.33 H new ATOM 0 HD22 LEU A 49 16.762 -17.238 -11.069 1.00 65.33 H new ATOM 0 HD23 LEU A 49 15.890 -18.181 -12.300 1.00 65.33 H new ATOM 872 N LYS A 50 17.437 -21.387 -11.272 1.00 10.14 N ATOM 873 CA LYS A 50 18.600 -21.593 -12.128 1.00 51.32 C ATOM 874 C LYS A 50 18.337 -22.698 -13.145 1.00 14.12 C ATOM 875 O LYS A 50 17.346 -23.422 -13.048 1.00 31.14 O ATOM 876 CB LYS A 50 19.826 -21.944 -11.282 1.00 53.25 C ATOM 877 CG LYS A 50 19.981 -21.075 -10.045 1.00 44.02 C ATOM 878 CD LYS A 50 21.134 -21.545 -9.175 1.00 12.22 C ATOM 879 CE LYS A 50 21.554 -20.475 -8.179 1.00 5.42 C ATOM 880 NZ LYS A 50 22.605 -19.580 -8.737 1.00 2.01 N ATOM 0 H LYS A 50 17.506 -21.828 -10.355 1.00 10.14 H new ATOM 0 HA LYS A 50 18.792 -20.665 -12.667 1.00 51.32 H new ATOM 0 HB2 LYS A 50 19.759 -22.988 -10.976 1.00 53.25 H new ATOM 0 HB3 LYS A 50 20.721 -21.849 -11.897 1.00 53.25 H new ATOM 0 HG2 LYS A 50 20.148 -20.040 -10.345 1.00 44.02 H new ATOM 0 HG3 LYS A 50 19.057 -21.094 -9.467 1.00 44.02 H new ATOM 0 HD2 LYS A 50 20.842 -22.448 -8.639 1.00 12.22 H new ATOM 0 HD3 LYS A 50 21.983 -21.809 -9.806 1.00 12.22 H new ATOM 0 HE2 LYS A 50 20.685 -19.882 -7.895 1.00 5.42 H new ATOM 0 HE3 LYS A 50 21.926 -20.950 -7.271 1.00 5.42 H new ATOM 0 HZ1 LYS A 50 22.864 -18.865 -8.028 1.00 2.01 H new ATOM 0 HZ2 LYS A 50 23.444 -20.142 -8.984 1.00 2.01 H new ATOM 0 HZ3 LYS A 50 22.242 -19.107 -9.589 1.00 2.01 H new ATOM 894 N ARG A 51 19.232 -22.822 -14.120 1.00 73.12 N ATOM 895 CA ARG A 51 19.097 -23.840 -15.156 1.00 61.52 C ATOM 896 C ARG A 51 17.704 -23.802 -15.776 1.00 23.43 C ATOM 897 O ARG A 51 17.164 -24.833 -16.180 1.00 41.42 O ATOM 898 CB ARG A 51 19.370 -25.229 -14.574 1.00 31.23 C ATOM 899 CG ARG A 51 20.848 -25.542 -14.416 1.00 54.31 C ATOM 900 CD ARG A 51 21.451 -24.800 -13.233 1.00 31.21 C ATOM 901 NE ARG A 51 22.081 -23.546 -13.638 1.00 34.00 N ATOM 902 CZ ARG A 51 23.186 -23.483 -14.372 1.00 12.13 C ATOM 903 NH1 ARG A 51 23.780 -24.597 -14.781 1.00 43.50 N ATOM 904 NH2 ARG A 51 23.701 -22.304 -14.701 1.00 61.34 N ATOM 0 H ARG A 51 20.058 -22.231 -14.214 1.00 73.12 H new ATOM 0 HA ARG A 51 19.829 -23.629 -15.936 1.00 61.52 H new ATOM 0 HB2 ARG A 51 18.884 -25.308 -13.601 1.00 31.23 H new ATOM 0 HB3 ARG A 51 18.915 -25.980 -15.220 1.00 31.23 H new ATOM 0 HG2 ARG A 51 20.981 -26.615 -14.280 1.00 54.31 H new ATOM 0 HG3 ARG A 51 21.379 -25.268 -15.328 1.00 54.31 H new ATOM 0 HD2 ARG A 51 20.672 -24.594 -12.499 1.00 31.21 H new ATOM 0 HD3 ARG A 51 22.189 -25.436 -12.744 1.00 31.21 H new ATOM 0 HE ARG A 51 21.649 -22.671 -13.341 1.00 34.00 H new ATOM 0 HH11 ARG A 51 23.388 -25.505 -14.532 1.00 43.50 H new ATOM 0 HH12 ARG A 51 24.629 -24.545 -15.345 1.00 43.50 H new ATOM 0 HH21 ARG A 51 23.248 -21.445 -14.390 1.00 61.34 H new ATOM 0 HH22 ARG A 51 24.550 -22.258 -15.265 1.00 61.34 H new ATOM 918 N ALA A 52 17.127 -22.607 -15.850 1.00 24.22 N ATOM 919 CA ALA A 52 15.797 -22.434 -16.424 1.00 14.01 C ATOM 920 C ALA A 52 15.872 -22.238 -17.934 1.00 12.44 C ATOM 921 O ALA A 52 14.923 -22.542 -18.658 1.00 0.31 O ATOM 922 CB ALA A 52 15.090 -21.256 -15.771 1.00 54.22 C ATOM 0 H ALA A 52 17.559 -21.744 -15.520 1.00 24.22 H new ATOM 0 HA ALA A 52 15.224 -23.341 -16.230 1.00 14.01 H new ATOM 0 HB1 ALA A 52 14.099 -21.138 -16.209 1.00 54.22 H new ATOM 0 HB2 ALA A 52 14.995 -21.437 -14.700 1.00 54.22 H new ATOM 0 HB3 ALA A 52 15.669 -20.347 -15.935 1.00 54.22 H new ATOM 928 N LEU A 53 17.005 -21.728 -18.404 1.00 10.14 N ATOM 929 CA LEU A 53 17.204 -21.489 -19.829 1.00 31.21 C ATOM 930 C LEU A 53 18.548 -22.043 -20.292 1.00 42.03 C ATOM 931 O LEU A 53 19.411 -22.369 -19.477 1.00 60.42 O ATOM 932 CB LEU A 53 17.124 -19.992 -20.133 1.00 70.14 C ATOM 933 CG LEU A 53 16.276 -19.596 -21.342 1.00 55.50 C ATOM 934 CD1 LEU A 53 14.847 -20.091 -21.176 1.00 51.31 C ATOM 935 CD2 LEU A 53 16.301 -18.087 -21.540 1.00 61.45 C ATOM 0 H LEU A 53 17.800 -21.472 -17.819 1.00 10.14 H new ATOM 0 HA LEU A 53 16.412 -22.006 -20.372 1.00 31.21 H new ATOM 0 HB2 LEU A 53 16.727 -19.484 -19.254 1.00 70.14 H new ATOM 0 HB3 LEU A 53 18.136 -19.618 -20.287 1.00 70.14 H new ATOM 0 HG LEU A 53 16.701 -20.065 -22.230 1.00 55.50 H new ATOM 0 HD11 LEU A 53 14.258 -19.800 -22.046 1.00 51.31 H new ATOM 0 HD12 LEU A 53 14.847 -21.177 -21.084 1.00 51.31 H new ATOM 0 HD13 LEU A 53 14.411 -19.651 -20.279 1.00 51.31 H new ATOM 0 HD21 LEU A 53 15.692 -17.823 -22.405 1.00 61.45 H new ATOM 0 HD22 LEU A 53 15.902 -17.597 -20.652 1.00 61.45 H new ATOM 0 HD23 LEU A 53 17.327 -17.759 -21.705 1.00 61.45 H new ATOM 947 N LYS A 54 18.720 -22.143 -21.606 1.00 74.32 N ATOM 948 CA LYS A 54 19.960 -22.653 -22.178 1.00 31.53 C ATOM 949 C LYS A 54 20.943 -21.518 -22.445 1.00 22.33 C ATOM 950 O LYS A 54 20.651 -20.354 -22.172 1.00 21.45 O ATOM 951 CB LYS A 54 19.672 -23.410 -23.477 1.00 13.54 C ATOM 952 CG LYS A 54 19.179 -24.830 -23.258 1.00 23.02 C ATOM 953 CD LYS A 54 20.312 -25.757 -22.850 1.00 43.20 C ATOM 954 CE LYS A 54 19.786 -27.098 -22.363 1.00 13.41 C ATOM 955 NZ LYS A 54 19.557 -28.045 -23.489 1.00 22.31 N ATOM 0 H LYS A 54 18.016 -21.877 -22.295 1.00 74.32 H new ATOM 0 HA LYS A 54 20.410 -23.337 -21.458 1.00 31.53 H new ATOM 0 HB2 LYS A 54 18.926 -22.860 -24.050 1.00 13.54 H new ATOM 0 HB3 LYS A 54 20.580 -23.439 -24.080 1.00 13.54 H new ATOM 0 HG2 LYS A 54 18.409 -24.834 -22.487 1.00 23.02 H new ATOM 0 HG3 LYS A 54 18.716 -25.200 -24.173 1.00 23.02 H new ATOM 0 HD2 LYS A 54 20.979 -25.913 -23.698 1.00 43.20 H new ATOM 0 HD3 LYS A 54 20.901 -25.288 -22.062 1.00 43.20 H new ATOM 0 HE2 LYS A 54 20.497 -27.534 -21.661 1.00 13.41 H new ATOM 0 HE3 LYS A 54 18.853 -26.947 -21.820 1.00 13.41 H new ATOM 0 HZ1 LYS A 54 19.199 -28.947 -23.116 1.00 22.31 H new ATOM 0 HZ2 LYS A 54 18.860 -27.641 -24.146 1.00 22.31 H new ATOM 0 HZ3 LYS A 54 20.452 -28.209 -23.992 1.00 22.31 H new ATOM 969 N ASN A 55 22.108 -21.865 -22.982 1.00 10.54 N ATOM 970 CA ASN A 55 23.134 -20.874 -23.287 1.00 10.13 C ATOM 971 C ASN A 55 22.613 -19.840 -24.281 1.00 31.15 C ATOM 972 O ASN A 55 22.359 -20.153 -25.445 1.00 60.15 O ATOM 973 CB ASN A 55 24.381 -21.557 -23.852 1.00 30.11 C ATOM 974 CG ASN A 55 25.644 -20.757 -23.600 1.00 13.40 C ATOM 975 OD1 ASN A 55 25.886 -19.737 -24.246 1.00 72.13 O ATOM 976 ND2 ASN A 55 26.458 -21.216 -22.655 1.00 24.40 N ATOM 0 H ASN A 55 22.365 -22.824 -23.215 1.00 10.54 H new ATOM 0 HA ASN A 55 23.396 -20.363 -22.361 1.00 10.13 H new ATOM 0 HB2 ASN A 55 24.485 -22.545 -23.404 1.00 30.11 H new ATOM 0 HB3 ASN A 55 24.256 -21.705 -24.925 1.00 30.11 H new ATOM 0 HD21 ASN A 55 27.322 -20.719 -22.441 1.00 24.40 H new ATOM 0 HD22 ASN A 55 26.218 -22.066 -22.144 1.00 24.40 H new ATOM 983 N LYS A 56 22.459 -18.606 -23.815 1.00 64.22 N ATOM 984 CA LYS A 56 21.970 -17.524 -24.662 1.00 42.30 C ATOM 985 C LYS A 56 23.123 -16.654 -25.154 1.00 74.41 C ATOM 986 O LYS A 56 24.080 -16.406 -24.423 1.00 53.44 O ATOM 987 CB LYS A 56 20.961 -16.664 -23.895 1.00 74.10 C ATOM 988 CG LYS A 56 19.658 -16.443 -24.643 1.00 33.43 C ATOM 989 CD LYS A 56 18.577 -15.890 -23.729 1.00 34.44 C ATOM 990 CE LYS A 56 18.865 -14.449 -23.336 1.00 73.43 C ATOM 991 NZ LYS A 56 17.648 -13.763 -22.820 1.00 3.25 N ATOM 0 H LYS A 56 22.666 -18.330 -22.855 1.00 64.22 H new ATOM 0 HA LYS A 56 21.478 -17.968 -25.527 1.00 42.30 H new ATOM 0 HB2 LYS A 56 20.745 -17.139 -22.938 1.00 74.10 H new ATOM 0 HB3 LYS A 56 21.413 -15.697 -23.676 1.00 74.10 H new ATOM 0 HG2 LYS A 56 19.825 -15.753 -25.470 1.00 33.43 H new ATOM 0 HG3 LYS A 56 19.322 -17.385 -25.077 1.00 33.43 H new ATOM 0 HD2 LYS A 56 17.611 -15.946 -24.231 1.00 34.44 H new ATOM 0 HD3 LYS A 56 18.506 -16.506 -22.832 1.00 34.44 H new ATOM 0 HE2 LYS A 56 19.644 -14.429 -22.574 1.00 73.43 H new ATOM 0 HE3 LYS A 56 19.249 -13.907 -24.200 1.00 73.43 H new ATOM 0 HZ1 LYS A 56 17.884 -12.783 -22.563 1.00 3.25 H new ATOM 0 HZ2 LYS A 56 16.913 -13.760 -23.556 1.00 3.25 H new ATOM 0 HZ3 LYS A 56 17.296 -14.266 -21.981 1.00 3.25 H new ATOM 1005 N ASN A 57 23.023 -16.196 -26.398 1.00 71.04 N ATOM 1006 CA ASN A 57 24.058 -15.355 -26.986 1.00 23.14 C ATOM 1007 C ASN A 57 24.215 -14.055 -26.202 1.00 0.32 C ATOM 1008 O ASN A 57 23.237 -13.354 -25.939 1.00 10.14 O ATOM 1009 CB ASN A 57 23.722 -15.045 -28.448 1.00 53.44 C ATOM 1010 CG ASN A 57 24.959 -14.748 -29.274 1.00 43.25 C ATOM 1011 OD1 ASN A 57 25.088 -13.667 -29.852 1.00 75.41 O ATOM 1012 ND2 ASN A 57 25.874 -15.707 -29.335 1.00 54.21 N ATOM 0 H ASN A 57 22.237 -16.393 -27.017 1.00 71.04 H new ATOM 0 HA ASN A 57 25.001 -15.899 -26.943 1.00 23.14 H new ATOM 0 HB2 ASN A 57 23.192 -15.892 -28.884 1.00 53.44 H new ATOM 0 HB3 ASN A 57 23.047 -14.191 -28.490 1.00 53.44 H new ATOM 0 HD21 ASN A 57 26.726 -15.565 -29.877 1.00 54.21 H new ATOM 0 HD22 ASN A 57 25.725 -16.586 -28.840 1.00 54.21 H new ATOM 1019 N LYS A 58 25.451 -13.740 -25.831 1.00 24.13 N ATOM 1020 CA LYS A 58 25.738 -12.524 -25.079 1.00 21.11 C ATOM 1021 C LYS A 58 26.642 -11.590 -25.879 1.00 40.05 C ATOM 1022 O LYS A 58 27.576 -12.035 -26.544 1.00 31.43 O ATOM 1023 CB LYS A 58 26.399 -12.870 -23.743 1.00 70.34 C ATOM 1024 CG LYS A 58 25.439 -13.467 -22.727 1.00 34.23 C ATOM 1025 CD LYS A 58 24.379 -12.463 -22.305 1.00 20.55 C ATOM 1026 CE LYS A 58 23.899 -12.724 -20.886 1.00 52.41 C ATOM 1027 NZ LYS A 58 22.752 -13.673 -20.854 1.00 51.13 N ATOM 0 H LYS A 58 26.271 -14.310 -26.039 1.00 24.13 H new ATOM 0 HA LYS A 58 24.794 -12.013 -24.889 1.00 21.11 H new ATOM 0 HB2 LYS A 58 27.212 -13.575 -23.921 1.00 70.34 H new ATOM 0 HB3 LYS A 58 26.845 -11.968 -23.323 1.00 70.34 H new ATOM 0 HG2 LYS A 58 24.958 -14.348 -23.153 1.00 34.23 H new ATOM 0 HG3 LYS A 58 25.996 -13.800 -21.851 1.00 34.23 H new ATOM 0 HD2 LYS A 58 24.785 -11.454 -22.373 1.00 20.55 H new ATOM 0 HD3 LYS A 58 23.534 -12.514 -22.991 1.00 20.55 H new ATOM 0 HE2 LYS A 58 24.720 -13.127 -20.293 1.00 52.41 H new ATOM 0 HE3 LYS A 58 23.604 -11.782 -20.423 1.00 52.41 H new ATOM 0 HZ1 LYS A 58 22.454 -13.825 -19.869 1.00 51.13 H new ATOM 0 HZ2 LYS A 58 21.959 -13.278 -21.398 1.00 51.13 H new ATOM 0 HZ3 LYS A 58 23.040 -14.580 -21.272 1.00 51.13 H new ATOM 1041 N ALA A 59 26.358 -10.294 -25.805 1.00 51.10 N ATOM 1042 CA ALA A 59 27.148 -9.298 -26.518 1.00 0.53 C ATOM 1043 C ALA A 59 28.377 -8.892 -25.712 1.00 2.52 C ATOM 1044 O ALA A 59 28.281 -8.601 -24.520 1.00 21.21 O ATOM 1045 CB ALA A 59 26.296 -8.078 -26.836 1.00 41.03 C ATOM 0 H ALA A 59 25.587 -9.909 -25.259 1.00 51.10 H new ATOM 0 HA ALA A 59 27.490 -9.743 -27.453 1.00 0.53 H new ATOM 0 HB1 ALA A 59 26.899 -7.342 -27.369 1.00 41.03 H new ATOM 0 HB2 ALA A 59 25.453 -8.376 -27.459 1.00 41.03 H new ATOM 0 HB3 ALA A 59 25.926 -7.641 -25.909 1.00 41.03 H new ATOM 1051 N GLU A 60 29.532 -8.875 -26.371 1.00 52.31 N ATOM 1052 CA GLU A 60 30.780 -8.506 -25.713 1.00 52.11 C ATOM 1053 C GLU A 60 31.879 -8.245 -26.740 1.00 44.11 C ATOM 1054 O GLU A 60 31.791 -8.689 -27.884 1.00 11.54 O ATOM 1055 CB GLU A 60 31.220 -9.609 -24.749 1.00 72.25 C ATOM 1056 CG GLU A 60 31.255 -10.991 -25.380 1.00 10.33 C ATOM 1057 CD GLU A 60 31.810 -12.047 -24.443 1.00 24.13 C ATOM 1058 OE1 GLU A 60 33.000 -11.948 -24.078 1.00 30.31 O ATOM 1059 OE2 GLU A 60 31.055 -12.970 -24.075 1.00 20.41 O ATOM 0 H GLU A 60 29.629 -9.112 -27.358 1.00 52.31 H new ATOM 0 HA GLU A 60 30.607 -7.589 -25.149 1.00 52.11 H new ATOM 0 HB2 GLU A 60 32.211 -9.369 -24.364 1.00 72.25 H new ATOM 0 HB3 GLU A 60 30.542 -9.626 -23.896 1.00 72.25 H new ATOM 0 HG2 GLU A 60 30.247 -11.273 -25.683 1.00 10.33 H new ATOM 0 HG3 GLU A 60 31.862 -10.958 -26.285 1.00 10.33 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.105 12.938 -4.661 1.00 34.31 ZN