USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 683 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 55 ASN : amide:sc= 2.78 K(o=3.7,f=-11!) USER MOD Set 1.2: A 58 THR OG1 : rot 180:sc= -0.0324 USER MOD Set 1.3: A 62 TYR OH : rot 180:sc= 0.973 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.038 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -167:sc= -0.0356 (180deg=-0.259) USER MOD Single : A 7 SER OG : rot 174:sc= 0.762 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 53:sc= 0.938 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -150:sc= 0.00709 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 1.1 (180deg=0.711) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.039) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 28 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -174:sc= 1.17 (180deg=1.08) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= -0.0021 (180deg=-0.0837) USER MOD Single : A 37 GLN : amide:sc= 1.08 K(o=1.1,f=-0.62!) USER MOD Single : A 39 MET CE :methyl -171:sc= -0.367 (180deg=-0.437) USER MOD Single : A 43 LYS NZ :NH3+ 160:sc= -0.0978 (180deg=-0.627) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= 0.901 (180deg=0.724) USER MOD Single : A 49 CYS SG : rot -5:sc= -3.95! USER MOD Single : A 52 GLN : amide:sc= -0.259 K(o=-0.26,f=-7.4!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 57 GLN : amide:sc= 0.649 K(o=0.65,f=-7!) USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= -0.0042 (180deg=-0.0843) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00686 USER MOD Single : A 66 ASN : amide:sc= 1.06 K(o=1.1,f=-0.53) USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= 2.03 (180deg=1.58) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0852 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0336) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.482 6.094 1.627 1.00 0.00 N ATOM 2 CA GLY A 1 -25.181 5.712 1.105 1.00 0.00 C ATOM 3 C GLY A 1 -24.127 5.833 2.175 1.00 0.00 C ATOM 4 O GLY A 1 -24.170 6.776 2.976 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.996 6.644 0.909 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.026 5.240 1.864 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.357 6.672 2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.217 4.687 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.922 6.347 0.258 1.00 0.00 H new ATOM 10 N PRO A 2 -23.188 4.884 2.252 1.00 0.00 N ATOM 11 CA PRO A 2 -22.118 4.904 3.245 1.00 0.00 C ATOM 12 C PRO A 2 -20.912 5.724 2.777 1.00 0.00 C ATOM 13 O PRO A 2 -20.820 6.099 1.590 1.00 0.00 O ATOM 14 CB PRO A 2 -21.730 3.433 3.338 1.00 0.00 C ATOM 15 CG PRO A 2 -21.974 2.886 1.973 1.00 0.00 C ATOM 16 CD PRO A 2 -23.103 3.688 1.380 1.00 0.00 C ATOM 0 HA PRO A 2 -22.433 5.355 4.186 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -20.686 3.317 3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -22.329 2.913 4.085 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -21.078 2.966 1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -22.234 1.829 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -22.898 3.962 0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -24.037 3.125 1.382 1.00 0.00 H new ATOM 24 N LEU A 3 -19.997 6.004 3.691 1.00 0.00 N ATOM 25 CA LEU A 3 -18.767 6.714 3.355 1.00 0.00 C ATOM 26 C LEU A 3 -17.880 5.818 2.484 1.00 0.00 C ATOM 27 O LEU A 3 -17.182 6.290 1.586 1.00 0.00 O ATOM 28 CB LEU A 3 -18.013 7.130 4.629 1.00 0.00 C ATOM 29 CG LEU A 3 -16.705 7.912 4.428 1.00 0.00 C ATOM 30 CD1 LEU A 3 -16.960 9.246 3.737 1.00 0.00 C ATOM 31 CD2 LEU A 3 -15.998 8.121 5.759 1.00 0.00 C ATOM 0 H LEU A 3 -20.081 5.751 4.675 1.00 0.00 H new ATOM 0 HA LEU A 3 -19.022 7.618 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -18.683 7.736 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -17.788 6.230 5.201 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.056 7.321 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.016 9.776 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.412 9.070 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.634 9.848 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -15.074 8.676 5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.646 8.683 6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -15.766 7.153 6.204 1.00 0.00 H new ATOM 43 N GLY A 4 -17.952 4.519 2.722 1.00 0.00 N ATOM 44 CA GLY A 4 -17.183 3.565 1.947 1.00 0.00 C ATOM 45 C GLY A 4 -17.881 3.169 0.651 1.00 0.00 C ATOM 46 O GLY A 4 -17.817 2.009 0.235 1.00 0.00 O ATOM 0 H GLY A 4 -18.536 4.102 3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.208 3.992 1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.005 2.673 2.548 1.00 0.00 H new ATOM 50 N SER A 5 -18.529 4.144 0.009 1.00 0.00 N ATOM 51 CA SER A 5 -19.259 3.928 -1.233 1.00 0.00 C ATOM 52 C SER A 5 -18.288 3.590 -2.338 1.00 0.00 C ATOM 53 O SER A 5 -18.459 2.622 -3.096 1.00 0.00 O ATOM 54 CB SER A 5 -20.116 5.175 -1.567 1.00 0.00 C ATOM 55 OG SER A 5 -20.841 5.044 -2.788 1.00 0.00 O ATOM 0 H SER A 5 -18.559 5.108 0.341 1.00 0.00 H new ATOM 0 HA SER A 5 -19.942 3.086 -1.123 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.817 5.355 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.467 6.049 -1.628 1.00 0.00 H new ATOM 0 HG SER A 5 -21.364 5.857 -2.947 1.00 0.00 H new ATOM 61 N MET A 6 -17.258 4.338 -2.369 1.00 0.00 N ATOM 62 CA MET A 6 -16.200 4.149 -3.323 1.00 0.00 C ATOM 63 C MET A 6 -15.161 3.251 -2.721 1.00 0.00 C ATOM 64 O MET A 6 -15.314 2.795 -1.586 1.00 0.00 O ATOM 65 CB MET A 6 -15.599 5.477 -3.773 1.00 0.00 C ATOM 66 CG MET A 6 -16.597 6.374 -4.474 1.00 0.00 C ATOM 67 SD MET A 6 -17.350 5.602 -5.929 1.00 0.00 S ATOM 68 CE MET A 6 -15.927 5.356 -6.991 1.00 0.00 C ATOM 0 H MET A 6 -17.107 5.117 -1.729 1.00 0.00 H new ATOM 0 HA MET A 6 -16.608 3.680 -4.219 1.00 0.00 H new ATOM 0 HB2 MET A 6 -15.197 6.000 -2.905 1.00 0.00 H new ATOM 0 HB3 MET A 6 -14.762 5.281 -4.443 1.00 0.00 H new ATOM 0 HG2 MET A 6 -17.382 6.652 -3.771 1.00 0.00 H new ATOM 0 HG3 MET A 6 -16.099 7.295 -4.776 1.00 0.00 H new ATOM 0 HE1 MET A 6 -16.263 5.108 -7.998 1.00 0.00 H new ATOM 0 HE2 MET A 6 -15.334 6.270 -7.022 1.00 0.00 H new ATOM 0 HE3 MET A 6 -15.318 4.541 -6.600 1.00 0.00 H new ATOM 78 N SER A 7 -14.137 2.972 -3.427 1.00 0.00 N ATOM 79 CA SER A 7 -13.175 2.054 -2.943 1.00 0.00 C ATOM 80 C SER A 7 -12.024 2.750 -2.285 1.00 0.00 C ATOM 81 O SER A 7 -11.415 3.644 -2.866 1.00 0.00 O ATOM 82 CB SER A 7 -12.731 1.182 -4.065 1.00 0.00 C ATOM 83 OG SER A 7 -13.849 0.534 -4.621 1.00 0.00 O ATOM 0 H SER A 7 -13.938 3.366 -4.347 1.00 0.00 H new ATOM 0 HA SER A 7 -13.630 1.433 -2.171 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.226 1.777 -4.826 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.011 0.446 -3.706 1.00 0.00 H new ATOM 0 HG SER A 7 -13.575 0.038 -5.421 1.00 0.00 H new ATOM 89 N CYS A 8 -11.744 2.343 -1.076 1.00 0.00 N ATOM 90 CA CYS A 8 -10.686 2.902 -0.306 1.00 0.00 C ATOM 91 C CYS A 8 -10.109 1.835 0.605 1.00 0.00 C ATOM 92 O CYS A 8 -10.859 1.063 1.200 1.00 0.00 O ATOM 93 CB CYS A 8 -11.213 4.106 0.500 1.00 0.00 C ATOM 94 SG CYS A 8 -12.700 3.756 1.491 1.00 0.00 S ATOM 0 H CYS A 8 -12.257 1.602 -0.599 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.891 3.257 -0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.423 4.457 1.164 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.434 4.920 -0.190 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.059 4.830 2.130 1.00 0.00 H new ATOM 100 N VAL A 9 -8.804 1.760 0.673 1.00 0.00 N ATOM 101 CA VAL A 9 -8.140 0.816 1.557 1.00 0.00 C ATOM 102 C VAL A 9 -7.555 1.591 2.702 1.00 0.00 C ATOM 103 O VAL A 9 -6.955 2.662 2.486 1.00 0.00 O ATOM 104 CB VAL A 9 -6.968 0.023 0.860 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.246 -0.885 1.844 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.456 -0.797 -0.309 1.00 0.00 C ATOM 0 H VAL A 9 -8.170 2.343 0.126 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.885 0.086 1.873 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.271 0.774 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.445 -1.416 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.824 -0.285 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.951 -1.606 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.616 -1.326 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.196 -1.519 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.909 -0.139 -1.051 1.00 0.00 H new ATOM 116 N HIS A 10 -7.752 1.092 3.902 1.00 0.00 N ATOM 117 CA HIS A 10 -7.167 1.689 5.061 1.00 0.00 C ATOM 118 C HIS A 10 -5.779 1.168 5.196 1.00 0.00 C ATOM 119 O HIS A 10 -5.570 -0.010 5.472 1.00 0.00 O ATOM 120 CB HIS A 10 -7.974 1.403 6.332 1.00 0.00 C ATOM 121 CG HIS A 10 -9.245 2.176 6.432 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.411 3.253 7.270 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.429 2.014 5.789 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.656 3.707 7.120 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.322 2.989 6.226 1.00 0.00 N ATOM 0 H HIS A 10 -8.320 0.266 4.092 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.163 2.772 4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.205 0.338 6.371 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.355 1.628 7.201 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.644 1.251 5.056 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.068 4.549 7.656 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.286 3.123 5.922 1.00 0.00 H new ATOM 133 N TYR A 11 -4.840 2.001 4.960 1.00 0.00 N ATOM 134 CA TYR A 11 -3.482 1.591 5.021 1.00 0.00 C ATOM 135 C TYR A 11 -2.738 2.525 5.917 1.00 0.00 C ATOM 136 O TYR A 11 -2.990 3.729 5.910 1.00 0.00 O ATOM 137 CB TYR A 11 -2.844 1.565 3.610 1.00 0.00 C ATOM 138 CG TYR A 11 -2.611 2.934 2.979 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.632 3.609 2.345 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.357 3.550 3.042 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.422 4.848 1.793 1.00 0.00 C ATOM 142 CE2 TYR A 11 -1.141 4.788 2.487 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.180 5.434 1.864 1.00 0.00 C ATOM 144 OH TYR A 11 -1.991 6.679 1.326 1.00 0.00 O ATOM 0 H TYR A 11 -4.983 2.982 4.720 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.430 0.578 5.420 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.889 1.043 3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.485 0.982 2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.611 3.157 2.282 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.542 3.042 3.537 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.234 5.364 1.302 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.165 5.248 2.540 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.661 7.297 1.687 1.00 0.00 H new ATOM 154 N LYS A 12 -1.882 2.009 6.718 1.00 0.00 N ATOM 155 CA LYS A 12 -1.065 2.862 7.498 1.00 0.00 C ATOM 156 C LYS A 12 0.357 2.564 7.164 1.00 0.00 C ATOM 157 O LYS A 12 0.733 1.402 6.956 1.00 0.00 O ATOM 158 CB LYS A 12 -1.348 2.791 9.018 1.00 0.00 C ATOM 159 CG LYS A 12 -0.908 1.529 9.725 1.00 0.00 C ATOM 160 CD LYS A 12 -1.185 1.629 11.218 1.00 0.00 C ATOM 161 CE LYS A 12 -0.580 0.458 11.961 1.00 0.00 C ATOM 162 NZ LYS A 12 -0.779 0.542 13.419 1.00 0.00 N ATOM 0 H LYS A 12 -1.729 1.009 6.851 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.301 3.896 7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.859 3.639 9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.420 2.913 9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.434 0.670 9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.156 1.363 9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.775 2.561 11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.261 1.657 11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.021 -0.468 11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.488 0.410 11.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.345 -0.285 13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.335 1.410 13.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.797 0.560 13.630 1.00 0.00 H new ATOM 176 N PHE A 13 1.120 3.587 7.029 1.00 0.00 N ATOM 177 CA PHE A 13 2.492 3.445 6.681 1.00 0.00 C ATOM 178 C PHE A 13 3.258 3.338 7.972 1.00 0.00 C ATOM 179 O PHE A 13 2.777 3.812 8.998 1.00 0.00 O ATOM 180 CB PHE A 13 2.951 4.686 5.914 1.00 0.00 C ATOM 181 CG PHE A 13 3.956 4.409 4.842 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.276 4.109 5.144 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.568 4.440 3.523 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.180 3.833 4.141 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.460 4.175 2.521 1.00 0.00 C ATOM 186 CZ PHE A 13 5.768 3.868 2.825 1.00 0.00 C ATOM 0 H PHE A 13 0.812 4.551 7.157 1.00 0.00 H new ATOM 0 HA PHE A 13 2.654 2.568 6.054 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.080 5.164 5.465 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.377 5.399 6.620 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.598 4.092 6.175 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.544 4.677 3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.204 3.591 4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.139 4.206 1.490 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.471 3.655 2.033 1.00 0.00 H new ATOM 196 N SER A 14 4.429 2.750 7.931 1.00 0.00 N ATOM 197 CA SER A 14 5.285 2.633 9.099 1.00 0.00 C ATOM 198 C SER A 14 5.595 4.029 9.704 1.00 0.00 C ATOM 199 O SER A 14 5.775 4.168 10.915 1.00 0.00 O ATOM 200 CB SER A 14 6.567 1.927 8.687 1.00 0.00 C ATOM 201 OG SER A 14 6.253 0.738 7.972 1.00 0.00 O ATOM 0 H SER A 14 4.822 2.336 7.086 1.00 0.00 H new ATOM 0 HA SER A 14 4.775 2.054 9.869 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.173 2.587 8.066 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.160 1.686 9.569 1.00 0.00 H new ATOM 0 HG SER A 14 6.959 0.073 8.117 1.00 0.00 H new ATOM 207 N SER A 15 5.604 5.043 8.853 1.00 0.00 N ATOM 208 CA SER A 15 5.858 6.412 9.250 1.00 0.00 C ATOM 209 C SER A 15 4.577 7.106 9.775 1.00 0.00 C ATOM 210 O SER A 15 4.638 8.198 10.341 1.00 0.00 O ATOM 211 CB SER A 15 6.374 7.166 8.039 1.00 0.00 C ATOM 212 OG SER A 15 7.445 6.465 7.431 1.00 0.00 O ATOM 0 H SER A 15 5.432 4.933 7.854 1.00 0.00 H new ATOM 0 HA SER A 15 6.589 6.412 10.059 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.567 7.303 7.319 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.707 8.160 8.338 1.00 0.00 H new ATOM 0 HG SER A 15 7.763 6.966 6.651 1.00 0.00 H new ATOM 218 N LYS A 16 3.436 6.478 9.588 1.00 0.00 N ATOM 219 CA LYS A 16 2.171 7.067 9.996 1.00 0.00 C ATOM 220 C LYS A 16 1.695 6.470 11.295 1.00 0.00 C ATOM 221 O LYS A 16 2.098 5.371 11.663 1.00 0.00 O ATOM 222 CB LYS A 16 1.077 6.933 8.913 1.00 0.00 C ATOM 223 CG LYS A 16 1.057 8.033 7.838 1.00 0.00 C ATOM 224 CD LYS A 16 2.268 8.035 6.930 1.00 0.00 C ATOM 225 CE LYS A 16 2.191 9.175 5.915 1.00 0.00 C ATOM 226 NZ LYS A 16 0.954 9.122 5.095 1.00 0.00 N ATOM 0 H LYS A 16 3.355 5.558 9.156 1.00 0.00 H new ATOM 0 HA LYS A 16 2.355 8.132 10.139 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.200 5.970 8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.105 6.916 9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.161 7.914 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.983 9.004 8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.174 8.136 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.336 7.081 6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.234 10.129 6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.060 9.133 5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.032 9.794 4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.827 8.160 4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.135 9.374 5.685 1.00 0.00 H new ATOM 240 N LEU A 17 0.868 7.200 11.984 1.00 0.00 N ATOM 241 CA LEU A 17 0.305 6.767 13.240 1.00 0.00 C ATOM 242 C LEU A 17 -1.078 6.195 12.989 1.00 0.00 C ATOM 243 O LEU A 17 -1.453 5.149 13.521 1.00 0.00 O ATOM 244 CB LEU A 17 0.194 7.959 14.197 1.00 0.00 C ATOM 245 CG LEU A 17 1.480 8.742 14.469 1.00 0.00 C ATOM 246 CD1 LEU A 17 1.209 9.893 15.421 1.00 0.00 C ATOM 247 CD2 LEU A 17 2.554 7.837 15.029 1.00 0.00 C ATOM 0 H LEU A 17 0.558 8.126 11.690 1.00 0.00 H new ATOM 0 HA LEU A 17 0.948 6.008 13.686 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.547 8.650 13.796 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.192 7.596 15.150 1.00 0.00 H new ATOM 0 HG LEU A 17 1.836 9.149 13.523 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.134 10.440 15.604 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.472 10.564 14.980 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.826 9.503 16.364 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.458 8.417 15.214 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.208 7.397 15.964 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.771 7.044 14.313 1.00 0.00 H new ATOM 259 N ASN A 18 -1.828 6.876 12.165 1.00 0.00 N ATOM 260 CA ASN A 18 -3.177 6.460 11.842 1.00 0.00 C ATOM 261 C ASN A 18 -3.275 6.078 10.385 1.00 0.00 C ATOM 262 O ASN A 18 -2.360 6.362 9.589 1.00 0.00 O ATOM 263 CB ASN A 18 -4.218 7.541 12.191 1.00 0.00 C ATOM 264 CG ASN A 18 -3.980 8.860 11.491 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.445 9.085 10.379 1.00 0.00 O ATOM 266 ND2 ASN A 18 -3.282 9.749 12.144 1.00 0.00 N ATOM 0 H ASN A 18 -1.528 7.732 11.698 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.404 5.587 12.454 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.211 7.175 11.930 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.212 7.705 13.269 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.108 10.665 11.731 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.910 9.527 13.068 1.00 0.00 H new ATOM 273 N TYR A 19 -4.370 5.450 10.030 1.00 0.00 N ATOM 274 CA TYR A 19 -4.573 4.974 8.687 1.00 0.00 C ATOM 275 C TYR A 19 -4.923 6.073 7.728 1.00 0.00 C ATOM 276 O TYR A 19 -5.536 7.080 8.086 1.00 0.00 O ATOM 277 CB TYR A 19 -5.644 3.897 8.622 1.00 0.00 C ATOM 278 CG TYR A 19 -5.266 2.591 9.285 1.00 0.00 C ATOM 279 CD1 TYR A 19 -5.426 2.404 10.645 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.754 1.546 8.540 1.00 0.00 C ATOM 281 CE1 TYR A 19 -5.086 1.211 11.241 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.410 0.351 9.126 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.577 0.189 10.476 1.00 0.00 C ATOM 284 OH TYR A 19 -4.243 -1.001 11.069 1.00 0.00 O ATOM 0 H TYR A 19 -5.144 5.256 10.665 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.616 4.548 8.386 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.552 4.277 9.090 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.882 3.703 7.576 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.824 3.206 11.249 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.621 1.671 7.475 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.219 1.079 12.305 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.011 -0.454 8.527 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.899 -1.619 10.391 1.00 0.00 H new ATOM 294 N ASP A 20 -4.519 5.874 6.530 1.00 0.00 N ATOM 295 CA ASP A 20 -4.832 6.732 5.441 1.00 0.00 C ATOM 296 C ASP A 20 -5.747 5.913 4.540 1.00 0.00 C ATOM 297 O ASP A 20 -5.969 4.725 4.824 1.00 0.00 O ATOM 298 CB ASP A 20 -3.544 7.140 4.725 1.00 0.00 C ATOM 299 CG ASP A 20 -3.745 8.231 3.685 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.076 7.910 2.542 1.00 0.00 O ATOM 301 OD2 ASP A 20 -3.578 9.418 4.000 1.00 0.00 O ATOM 0 H ASP A 20 -3.938 5.078 6.266 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.320 7.656 5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.820 7.483 5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.114 6.263 4.241 1.00 0.00 H new ATOM 306 N THR A 21 -6.237 6.471 3.488 1.00 0.00 N ATOM 307 CA THR A 21 -7.195 5.810 2.670 1.00 0.00 C ATOM 308 C THR A 21 -6.917 6.075 1.227 1.00 0.00 C ATOM 309 O THR A 21 -6.996 7.212 0.766 1.00 0.00 O ATOM 310 CB THR A 21 -8.633 6.226 3.045 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.630 7.562 3.597 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.250 5.246 4.028 1.00 0.00 C ATOM 0 H THR A 21 -5.983 7.406 3.168 1.00 0.00 H new ATOM 0 HA THR A 21 -7.110 4.737 2.845 1.00 0.00 H new ATOM 0 HB THR A 21 -9.241 6.215 2.140 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.546 7.821 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.263 5.566 4.273 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.281 4.253 3.580 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.649 5.215 4.937 1.00 0.00 H new ATOM 320 N VAL A 22 -6.550 5.047 0.527 1.00 0.00 N ATOM 321 CA VAL A 22 -6.251 5.177 -0.864 1.00 0.00 C ATOM 322 C VAL A 22 -7.477 4.799 -1.682 1.00 0.00 C ATOM 323 O VAL A 22 -8.064 3.730 -1.481 1.00 0.00 O ATOM 324 CB VAL A 22 -4.996 4.339 -1.273 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.201 2.829 -1.151 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.503 4.740 -2.641 1.00 0.00 C ATOM 0 H VAL A 22 -6.450 4.103 0.900 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.999 6.217 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.216 4.577 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.289 2.313 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.438 2.576 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.023 2.520 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.629 4.143 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.291 4.572 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.232 5.796 -2.635 1.00 0.00 H new ATOM 336 N THR A 23 -7.908 5.693 -2.519 1.00 0.00 N ATOM 337 CA THR A 23 -9.044 5.457 -3.359 1.00 0.00 C ATOM 338 C THR A 23 -8.624 4.780 -4.648 1.00 0.00 C ATOM 339 O THR A 23 -7.572 5.106 -5.217 1.00 0.00 O ATOM 340 CB THR A 23 -9.756 6.774 -3.654 1.00 0.00 C ATOM 341 OG1 THR A 23 -8.775 7.771 -4.006 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.551 7.232 -2.441 1.00 0.00 C ATOM 0 H THR A 23 -7.480 6.611 -2.640 1.00 0.00 H new ATOM 0 HA THR A 23 -9.733 4.794 -2.837 1.00 0.00 H new ATOM 0 HB THR A 23 -10.449 6.630 -4.483 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.226 8.620 -4.199 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.052 8.173 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.295 6.477 -2.187 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.876 7.375 -1.597 1.00 0.00 H new ATOM 350 N PHE A 24 -9.412 3.839 -5.102 1.00 0.00 N ATOM 351 CA PHE A 24 -9.085 3.110 -6.298 1.00 0.00 C ATOM 352 C PHE A 24 -10.338 2.704 -7.036 1.00 0.00 C ATOM 353 O PHE A 24 -11.456 2.790 -6.496 1.00 0.00 O ATOM 354 CB PHE A 24 -8.219 1.887 -5.966 1.00 0.00 C ATOM 355 CG PHE A 24 -8.853 0.927 -5.005 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.839 1.179 -3.647 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.460 -0.224 -5.457 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.419 0.308 -2.774 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.035 -1.094 -4.578 1.00 0.00 C ATOM 360 CZ PHE A 24 -10.016 -0.831 -3.241 1.00 0.00 C ATOM 0 H PHE A 24 -10.287 3.560 -4.659 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.508 3.764 -6.952 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.987 1.358 -6.891 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.272 2.229 -5.549 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.364 2.074 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.481 -0.439 -6.515 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.407 0.517 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.507 -1.994 -4.943 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.473 -1.523 -2.549 1.00 0.00 H new ATOM 370 N ASP A 25 -10.160 2.270 -8.246 1.00 0.00 N ATOM 371 CA ASP A 25 -11.241 1.870 -9.081 1.00 0.00 C ATOM 372 C ASP A 25 -11.332 0.364 -9.105 1.00 0.00 C ATOM 373 O ASP A 25 -10.398 -0.320 -9.532 1.00 0.00 O ATOM 374 CB ASP A 25 -11.057 2.440 -10.490 1.00 0.00 C ATOM 375 CG ASP A 25 -11.212 3.955 -10.544 1.00 0.00 C ATOM 376 OD1 ASP A 25 -10.257 4.687 -10.183 1.00 0.00 O ATOM 377 OD2 ASP A 25 -12.290 4.448 -10.955 1.00 0.00 O ATOM 0 H ASP A 25 -9.243 2.184 -8.684 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.176 2.263 -8.682 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.068 2.168 -10.860 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.785 1.982 -11.159 1.00 0.00 H new ATOM 382 N GLY A 26 -12.425 -0.148 -8.603 1.00 0.00 N ATOM 383 CA GLY A 26 -12.629 -1.576 -8.545 1.00 0.00 C ATOM 384 C GLY A 26 -12.847 -2.019 -7.121 1.00 0.00 C ATOM 385 O GLY A 26 -12.781 -1.204 -6.217 1.00 0.00 O ATOM 0 H GLY A 26 -13.194 0.405 -8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.490 -1.852 -9.154 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.764 -2.090 -8.964 1.00 0.00 H new ATOM 389 N LEU A 27 -13.106 -3.287 -6.909 1.00 0.00 N ATOM 390 CA LEU A 27 -13.335 -3.812 -5.559 1.00 0.00 C ATOM 391 C LEU A 27 -12.004 -3.968 -4.842 1.00 0.00 C ATOM 392 O LEU A 27 -11.896 -3.820 -3.607 1.00 0.00 O ATOM 393 CB LEU A 27 -14.048 -5.169 -5.626 1.00 0.00 C ATOM 394 CG LEU A 27 -14.374 -5.831 -4.280 1.00 0.00 C ATOM 395 CD1 LEU A 27 -15.362 -4.995 -3.479 1.00 0.00 C ATOM 396 CD2 LEU A 27 -14.906 -7.233 -4.495 1.00 0.00 C ATOM 0 H LEU A 27 -13.166 -3.987 -7.649 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.966 -3.112 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.979 -5.040 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.427 -5.854 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.451 -5.895 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.573 -5.490 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.934 -4.011 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.287 -4.884 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.132 -7.688 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.813 -7.189 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.156 -7.832 -5.012 1.00 0.00 H new ATOM 408 N HIS A 28 -11.002 -4.243 -5.619 1.00 0.00 N ATOM 409 CA HIS A 28 -9.675 -4.430 -5.129 1.00 0.00 C ATOM 410 C HIS A 28 -8.663 -3.846 -6.054 1.00 0.00 C ATOM 411 O HIS A 28 -8.956 -3.586 -7.231 1.00 0.00 O ATOM 412 CB HIS A 28 -9.354 -5.887 -4.754 1.00 0.00 C ATOM 413 CG HIS A 28 -10.041 -6.959 -5.543 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.751 -7.977 -4.943 1.00 0.00 N ATOM 415 CD2 HIS A 28 -10.091 -7.195 -6.871 1.00 0.00 C ATOM 416 CE1 HIS A 28 -11.205 -8.784 -5.901 1.00 0.00 C ATOM 417 NE2 HIS A 28 -10.831 -8.354 -7.098 1.00 0.00 N ATOM 0 H HIS A 28 -11.087 -4.345 -6.630 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.620 -3.878 -4.191 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.278 -6.032 -4.850 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.602 -6.029 -3.702 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.632 -6.584 -7.634 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.798 -9.669 -5.726 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.041 -8.783 -7.999 1.00 0.00 H new ATOM 425 N ILE A 29 -7.511 -3.581 -5.519 1.00 0.00 N ATOM 426 CA ILE A 29 -6.461 -2.972 -6.250 1.00 0.00 C ATOM 427 C ILE A 29 -5.200 -3.810 -6.199 1.00 0.00 C ATOM 428 O ILE A 29 -4.771 -4.250 -5.131 1.00 0.00 O ATOM 429 CB ILE A 29 -6.192 -1.519 -5.751 1.00 0.00 C ATOM 430 CG1 ILE A 29 -4.994 -0.915 -6.462 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.996 -1.464 -4.233 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.816 0.560 -6.212 1.00 0.00 C ATOM 0 H ILE A 29 -7.278 -3.788 -4.548 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.777 -2.910 -7.291 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.076 -0.928 -5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.093 -1.439 -6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.098 -1.082 -7.534 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.811 -0.434 -3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.893 -1.835 -3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.144 -2.084 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.940 0.918 -6.753 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.700 1.097 -6.557 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.679 0.734 -5.145 1.00 0.00 H new ATOM 444 N SER A 30 -4.661 -4.080 -7.355 1.00 0.00 N ATOM 445 CA SER A 30 -3.418 -4.769 -7.478 1.00 0.00 C ATOM 446 C SER A 30 -2.297 -3.949 -6.821 1.00 0.00 C ATOM 447 O SER A 30 -2.265 -2.713 -6.912 1.00 0.00 O ATOM 448 CB SER A 30 -3.116 -5.006 -8.947 1.00 0.00 C ATOM 449 OG SER A 30 -4.204 -5.681 -9.576 1.00 0.00 O ATOM 0 H SER A 30 -5.083 -3.822 -8.247 1.00 0.00 H new ATOM 0 HA SER A 30 -3.482 -5.732 -6.971 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.933 -4.054 -9.445 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.206 -5.598 -9.047 1.00 0.00 H new ATOM 0 HG SER A 30 -3.996 -5.825 -10.523 1.00 0.00 H new ATOM 455 N LEU A 31 -1.398 -4.652 -6.187 1.00 0.00 N ATOM 456 CA LEU A 31 -0.299 -4.109 -5.427 1.00 0.00 C ATOM 457 C LEU A 31 0.548 -3.140 -6.247 1.00 0.00 C ATOM 458 O LEU A 31 0.969 -2.114 -5.732 1.00 0.00 O ATOM 459 CB LEU A 31 0.551 -5.266 -4.907 1.00 0.00 C ATOM 460 CG LEU A 31 1.737 -4.914 -4.032 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.288 -4.209 -2.760 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.527 -6.159 -3.707 1.00 0.00 C ATOM 0 H LEU A 31 -1.411 -5.672 -6.185 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.702 -3.534 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.098 -5.936 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.919 -5.827 -5.766 1.00 0.00 H new ATOM 0 HG LEU A 31 2.380 -4.226 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.159 -3.968 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.761 -3.291 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.622 -4.863 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.377 -5.896 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.889 -6.867 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.886 -6.614 -4.630 1.00 0.00 H new ATOM 474 N CYS A 32 0.780 -3.467 -7.511 1.00 0.00 N ATOM 475 CA CYS A 32 1.526 -2.590 -8.409 1.00 0.00 C ATOM 476 C CYS A 32 0.881 -1.205 -8.467 1.00 0.00 C ATOM 477 O CYS A 32 1.547 -0.194 -8.270 1.00 0.00 O ATOM 478 CB CYS A 32 1.559 -3.174 -9.827 1.00 0.00 C ATOM 479 SG CYS A 32 2.548 -2.215 -10.995 1.00 0.00 S ATOM 0 H CYS A 32 0.462 -4.336 -7.941 1.00 0.00 H new ATOM 0 HA CYS A 32 2.541 -2.506 -8.022 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.953 -4.189 -9.781 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.538 -3.245 -10.203 1.00 0.00 H new ATOM 0 HG CYS A 32 2.517 -2.787 -12.162 1.00 0.00 H new ATOM 485 N ASP A 33 -0.430 -1.181 -8.616 1.00 0.00 N ATOM 486 CA ASP A 33 -1.155 0.074 -8.791 1.00 0.00 C ATOM 487 C ASP A 33 -1.199 0.803 -7.473 1.00 0.00 C ATOM 488 O ASP A 33 -0.990 2.007 -7.405 1.00 0.00 O ATOM 489 CB ASP A 33 -2.584 -0.183 -9.306 1.00 0.00 C ATOM 490 CG ASP A 33 -3.271 1.069 -9.848 1.00 0.00 C ATOM 491 OD1 ASP A 33 -3.913 1.828 -9.097 1.00 0.00 O ATOM 492 OD2 ASP A 33 -3.199 1.298 -11.078 1.00 0.00 O ATOM 0 H ASP A 33 -1.019 -2.014 -8.620 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.638 0.683 -9.532 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.548 -0.937 -10.092 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.185 -0.596 -8.496 1.00 0.00 H new ATOM 497 N LEU A 34 -1.383 0.032 -6.416 1.00 0.00 N ATOM 498 CA LEU A 34 -1.474 0.564 -5.066 1.00 0.00 C ATOM 499 C LEU A 34 -0.173 1.249 -4.658 1.00 0.00 C ATOM 500 O LEU A 34 -0.183 2.375 -4.146 1.00 0.00 O ATOM 501 CB LEU A 34 -1.907 -0.563 -4.080 1.00 0.00 C ATOM 502 CG LEU A 34 -1.971 -0.232 -2.574 1.00 0.00 C ATOM 503 CD1 LEU A 34 -2.950 -1.163 -1.883 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.602 -0.417 -1.936 1.00 0.00 C ATOM 0 H LEU A 34 -1.474 -0.983 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.243 1.336 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.893 -0.912 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.219 -1.399 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.294 0.803 -2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.991 -0.924 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.941 -1.039 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.623 -2.195 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.661 -0.180 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.279 -1.451 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.116 0.247 -2.417 1.00 0.00 H new ATOM 516 N LYS A 35 0.937 0.589 -4.923 1.00 0.00 N ATOM 517 CA LYS A 35 2.237 1.129 -4.594 1.00 0.00 C ATOM 518 C LYS A 35 2.526 2.356 -5.421 1.00 0.00 C ATOM 519 O LYS A 35 3.046 3.333 -4.912 1.00 0.00 O ATOM 520 CB LYS A 35 3.342 0.097 -4.769 1.00 0.00 C ATOM 521 CG LYS A 35 3.198 -1.106 -3.851 1.00 0.00 C ATOM 522 CD LYS A 35 4.370 -2.064 -3.972 1.00 0.00 C ATOM 523 CE LYS A 35 4.538 -2.619 -5.364 1.00 0.00 C ATOM 524 NZ LYS A 35 5.691 -3.539 -5.449 1.00 0.00 N ATOM 0 H LYS A 35 0.962 -0.328 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 35 2.215 1.410 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.349 -0.244 -5.804 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.305 0.572 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.115 -0.765 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.274 -1.633 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.285 -1.548 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.232 -2.889 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.630 -3.145 -5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.674 -1.799 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.838 -3.821 -6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.544 -3.060 -5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.504 -4.384 -4.872 1.00 0.00 H new ATOM 538 N LYS A 36 2.145 2.317 -6.691 1.00 0.00 N ATOM 539 CA LYS A 36 2.335 3.458 -7.581 1.00 0.00 C ATOM 540 C LYS A 36 1.566 4.672 -7.092 1.00 0.00 C ATOM 541 O LYS A 36 2.090 5.799 -7.122 1.00 0.00 O ATOM 542 CB LYS A 36 1.945 3.121 -9.027 1.00 0.00 C ATOM 543 CG LYS A 36 3.092 2.639 -9.931 1.00 0.00 C ATOM 544 CD LYS A 36 3.876 1.471 -9.344 1.00 0.00 C ATOM 545 CE LYS A 36 4.880 0.901 -10.339 1.00 0.00 C ATOM 546 NZ LYS A 36 5.807 1.927 -10.866 1.00 0.00 N ATOM 0 H LYS A 36 1.703 1.509 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 36 3.398 3.699 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.175 2.350 -9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.498 4.006 -9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.683 2.343 -10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.774 3.469 -10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.401 1.801 -8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.184 0.687 -9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.455 0.111 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.342 0.442 -11.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.569 1.464 -11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.288 2.575 -11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.217 2.464 -10.075 1.00 0.00 H new ATOM 560 N GLN A 37 0.350 4.454 -6.607 1.00 0.00 N ATOM 561 CA GLN A 37 -0.438 5.551 -6.095 1.00 0.00 C ATOM 562 C GLN A 37 0.193 6.115 -4.843 1.00 0.00 C ATOM 563 O GLN A 37 0.438 7.304 -4.758 1.00 0.00 O ATOM 564 CB GLN A 37 -1.884 5.157 -5.806 1.00 0.00 C ATOM 565 CG GLN A 37 -2.671 4.696 -7.014 1.00 0.00 C ATOM 566 CD GLN A 37 -4.157 4.622 -6.732 1.00 0.00 C ATOM 567 OE1 GLN A 37 -4.695 5.399 -5.937 1.00 0.00 O ATOM 568 NE2 GLN A 37 -4.825 3.693 -7.345 1.00 0.00 N ATOM 0 H GLN A 37 -0.100 3.540 -6.560 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.457 6.310 -6.877 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.887 4.360 -5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.396 6.010 -5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.494 5.380 -7.844 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.313 3.715 -7.327 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.349 3.068 -7.996 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.825 3.588 -7.176 1.00 0.00 H new ATOM 577 N ILE A 38 0.514 5.244 -3.900 1.00 0.00 N ATOM 578 CA ILE A 38 1.090 5.664 -2.623 1.00 0.00 C ATOM 579 C ILE A 38 2.434 6.367 -2.815 1.00 0.00 C ATOM 580 O ILE A 38 2.672 7.430 -2.233 1.00 0.00 O ATOM 581 CB ILE A 38 1.234 4.471 -1.631 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.153 3.904 -1.302 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.974 4.892 -0.348 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.133 2.718 -0.369 1.00 0.00 C ATOM 0 H ILE A 38 0.386 4.236 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 38 0.393 6.379 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 38 1.832 3.695 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.759 4.693 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.643 3.613 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.057 4.036 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.971 5.250 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.419 5.688 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.153 2.380 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.443 1.910 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.326 3.007 0.577 1.00 0.00 H new ATOM 596 N MET A 39 3.279 5.816 -3.668 1.00 0.00 N ATOM 597 CA MET A 39 4.597 6.388 -3.886 1.00 0.00 C ATOM 598 C MET A 39 4.514 7.773 -4.496 1.00 0.00 C ATOM 599 O MET A 39 5.170 8.702 -4.025 1.00 0.00 O ATOM 600 CB MET A 39 5.535 5.475 -4.704 1.00 0.00 C ATOM 601 CG MET A 39 5.889 4.160 -4.014 1.00 0.00 C ATOM 602 SD MET A 39 7.050 3.123 -4.941 1.00 0.00 S ATOM 603 CE MET A 39 6.124 2.801 -6.443 1.00 0.00 C ATOM 0 H MET A 39 3.079 4.980 -4.217 1.00 0.00 H new ATOM 0 HA MET A 39 5.045 6.478 -2.896 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.064 5.254 -5.662 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.455 6.018 -4.919 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.317 4.380 -3.036 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.973 3.595 -3.842 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.643 2.049 -7.036 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.129 2.437 -6.186 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.036 3.721 -7.020 1.00 0.00 H new ATOM 613 N GLY A 40 3.673 7.927 -5.493 1.00 0.00 N ATOM 614 CA GLY A 40 3.542 9.210 -6.143 1.00 0.00 C ATOM 615 C GLY A 40 2.826 10.229 -5.294 1.00 0.00 C ATOM 616 O GLY A 40 3.154 11.429 -5.323 1.00 0.00 O ATOM 0 H GLY A 40 3.076 7.190 -5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.533 9.587 -6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.002 9.083 -7.081 1.00 0.00 H new ATOM 620 N ARG A 41 1.887 9.760 -4.525 1.00 0.00 N ATOM 621 CA ARG A 41 1.076 10.601 -3.683 1.00 0.00 C ATOM 622 C ARG A 41 1.834 11.086 -2.450 1.00 0.00 C ATOM 623 O ARG A 41 1.832 12.277 -2.140 1.00 0.00 O ATOM 624 CB ARG A 41 -0.180 9.841 -3.279 1.00 0.00 C ATOM 625 CG ARG A 41 -1.118 10.597 -2.383 1.00 0.00 C ATOM 626 CD ARG A 41 -2.385 9.813 -2.151 1.00 0.00 C ATOM 627 NE ARG A 41 -3.351 10.558 -1.353 1.00 0.00 N ATOM 628 CZ ARG A 41 -3.953 10.089 -0.260 1.00 0.00 C ATOM 629 NH1 ARG A 41 -3.638 8.892 0.202 1.00 0.00 N ATOM 630 NH2 ARG A 41 -4.856 10.826 0.381 1.00 0.00 N ATOM 0 H ARG A 41 1.657 8.768 -4.462 1.00 0.00 H new ATOM 0 HA ARG A 41 0.803 11.491 -4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.718 9.552 -4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.116 8.921 -2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.632 10.801 -1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.358 11.561 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.831 9.553 -3.111 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.145 8.877 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.583 11.505 -1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.936 8.329 -0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.097 8.531 1.038 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.092 11.757 0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.312 10.460 1.217 1.00 0.00 H new ATOM 644 N GLU A 42 2.517 10.187 -1.779 1.00 0.00 N ATOM 645 CA GLU A 42 3.183 10.529 -0.528 1.00 0.00 C ATOM 646 C GLU A 42 4.639 10.915 -0.737 1.00 0.00 C ATOM 647 O GLU A 42 5.412 10.990 0.217 1.00 0.00 O ATOM 648 CB GLU A 42 3.096 9.402 0.459 1.00 0.00 C ATOM 649 CG GLU A 42 1.680 9.010 0.883 1.00 0.00 C ATOM 650 CD GLU A 42 0.965 10.110 1.639 1.00 0.00 C ATOM 651 OE1 GLU A 42 1.284 10.326 2.831 1.00 0.00 O ATOM 652 OE2 GLU A 42 0.083 10.768 1.072 1.00 0.00 O ATOM 0 H GLU A 42 2.630 9.216 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 42 2.658 11.396 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.584 8.527 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.661 9.677 1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.100 8.749 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.727 8.118 1.508 1.00 0.00 H new ATOM 659 N LYS A 43 4.997 11.146 -1.991 1.00 0.00 N ATOM 660 CA LYS A 43 6.317 11.682 -2.403 1.00 0.00 C ATOM 661 C LYS A 43 7.446 10.678 -2.147 1.00 0.00 C ATOM 662 O LYS A 43 8.594 11.079 -1.876 1.00 0.00 O ATOM 663 CB LYS A 43 6.671 13.020 -1.673 1.00 0.00 C ATOM 664 CG LYS A 43 5.534 13.998 -1.423 1.00 0.00 C ATOM 665 CD LYS A 43 4.653 14.172 -2.621 1.00 0.00 C ATOM 666 CE LYS A 43 3.657 15.267 -2.379 1.00 0.00 C ATOM 667 NZ LYS A 43 4.316 16.579 -2.194 1.00 0.00 N ATOM 0 H LYS A 43 4.375 10.967 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 43 6.231 11.872 -3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.120 12.771 -0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.434 13.532 -2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.935 13.646 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.947 14.965 -1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.259 14.409 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.133 13.239 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.967 15.323 -3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.064 15.030 -1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.629 17.340 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.677 16.652 -1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.107 16.668 -2.864 1.00 0.00 H new ATOM 681 N LEU A 44 7.153 9.398 -2.293 1.00 0.00 N ATOM 682 CA LEU A 44 8.144 8.366 -2.038 1.00 0.00 C ATOM 683 C LEU A 44 9.188 8.266 -3.139 1.00 0.00 C ATOM 684 O LEU A 44 9.095 8.908 -4.200 1.00 0.00 O ATOM 685 CB LEU A 44 7.548 6.964 -1.827 1.00 0.00 C ATOM 686 CG LEU A 44 6.954 6.621 -0.457 1.00 0.00 C ATOM 687 CD1 LEU A 44 5.759 7.464 -0.133 1.00 0.00 C ATOM 688 CD2 LEU A 44 6.594 5.156 -0.402 1.00 0.00 C ATOM 0 H LEU A 44 6.241 9.048 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 44 8.611 8.692 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.766 6.821 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.330 6.236 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 44 7.714 6.836 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.372 7.185 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.047 8.515 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.987 7.306 -0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.173 4.921 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.861 4.932 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.489 4.555 -0.565 1.00 0.00 H new ATOM 700 N LYS A 45 10.147 7.435 -2.875 1.00 0.00 N ATOM 701 CA LYS A 45 11.236 7.131 -3.753 1.00 0.00 C ATOM 702 C LYS A 45 11.063 5.706 -4.268 1.00 0.00 C ATOM 703 O LYS A 45 11.208 4.742 -3.523 1.00 0.00 O ATOM 704 CB LYS A 45 12.557 7.299 -2.986 1.00 0.00 C ATOM 705 CG LYS A 45 12.526 6.651 -1.595 1.00 0.00 C ATOM 706 CD LYS A 45 13.793 6.836 -0.782 1.00 0.00 C ATOM 707 CE LYS A 45 14.261 8.274 -0.684 1.00 0.00 C ATOM 708 NZ LYS A 45 15.542 8.344 0.037 1.00 0.00 N ATOM 0 H LYS A 45 10.195 6.923 -1.994 1.00 0.00 H new ATOM 0 HA LYS A 45 11.252 7.807 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.368 6.860 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.778 8.361 -2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.687 7.065 -1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.337 5.584 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.626 6.450 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.587 6.236 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.374 8.696 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.511 8.874 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.985 9.270 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.374 8.221 1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.173 7.591 -0.303 1.00 0.00 H new ATOM 722 N ALA A 46 10.718 5.584 -5.522 1.00 0.00 N ATOM 723 CA ALA A 46 10.420 4.284 -6.108 1.00 0.00 C ATOM 724 C ALA A 46 11.667 3.558 -6.575 1.00 0.00 C ATOM 725 O ALA A 46 11.659 2.341 -6.732 1.00 0.00 O ATOM 726 CB ALA A 46 9.437 4.439 -7.259 1.00 0.00 C ATOM 0 H ALA A 46 10.633 6.368 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 46 9.970 3.674 -5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.222 3.460 -7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.513 4.884 -6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.871 5.084 -8.024 1.00 0.00 H new ATOM 732 N ALA A 47 12.727 4.293 -6.791 1.00 0.00 N ATOM 733 CA ALA A 47 13.950 3.701 -7.317 1.00 0.00 C ATOM 734 C ALA A 47 15.017 3.606 -6.252 1.00 0.00 C ATOM 735 O ALA A 47 16.008 2.888 -6.409 1.00 0.00 O ATOM 736 CB ALA A 47 14.460 4.502 -8.506 1.00 0.00 C ATOM 0 H ALA A 47 12.778 5.296 -6.615 1.00 0.00 H new ATOM 0 HA ALA A 47 13.715 2.689 -7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.374 4.046 -8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.704 4.509 -9.291 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.668 5.525 -8.193 1.00 0.00 H new ATOM 742 N ASP A 48 14.811 4.320 -5.169 1.00 0.00 N ATOM 743 CA ASP A 48 15.791 4.372 -4.101 1.00 0.00 C ATOM 744 C ASP A 48 15.461 3.301 -3.083 1.00 0.00 C ATOM 745 O ASP A 48 16.325 2.788 -2.403 1.00 0.00 O ATOM 746 CB ASP A 48 15.730 5.744 -3.447 1.00 0.00 C ATOM 747 CG ASP A 48 16.913 6.091 -2.536 1.00 0.00 C ATOM 748 OD1 ASP A 48 17.980 6.469 -3.062 1.00 0.00 O ATOM 749 OD2 ASP A 48 16.765 6.109 -1.286 1.00 0.00 O ATOM 0 H ASP A 48 13.972 4.875 -5.001 1.00 0.00 H new ATOM 0 HA ASP A 48 16.793 4.202 -4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.663 6.499 -4.231 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.812 5.809 -2.863 1.00 0.00 H new ATOM 754 N CYS A 49 14.193 2.956 -2.996 1.00 0.00 N ATOM 755 CA CYS A 49 13.728 1.959 -2.063 1.00 0.00 C ATOM 756 C CYS A 49 12.550 1.242 -2.678 1.00 0.00 C ATOM 757 O CYS A 49 12.010 1.694 -3.694 1.00 0.00 O ATOM 758 CB CYS A 49 13.309 2.615 -0.754 1.00 0.00 C ATOM 759 SG CYS A 49 14.615 3.549 0.056 1.00 0.00 S ATOM 0 H CYS A 49 13.456 3.362 -3.573 1.00 0.00 H new ATOM 0 HA CYS A 49 14.529 1.251 -1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.468 3.281 -0.948 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.953 1.843 -0.072 1.00 0.00 H new ATOM 0 HG CYS A 49 15.726 3.402 -0.602 1.00 0.00 H new ATOM 765 N ASP A 50 12.154 0.144 -2.092 1.00 0.00 N ATOM 766 CA ASP A 50 11.055 -0.624 -2.626 1.00 0.00 C ATOM 767 C ASP A 50 9.898 -0.491 -1.657 1.00 0.00 C ATOM 768 O ASP A 50 10.081 -0.009 -0.521 1.00 0.00 O ATOM 769 CB ASP A 50 11.447 -2.096 -2.783 1.00 0.00 C ATOM 770 CG ASP A 50 10.686 -2.810 -3.890 1.00 0.00 C ATOM 771 OD1 ASP A 50 9.451 -2.942 -3.814 1.00 0.00 O ATOM 772 OD2 ASP A 50 11.326 -3.236 -4.884 1.00 0.00 O ATOM 0 H ASP A 50 12.574 -0.241 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 50 10.779 -0.253 -3.613 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.516 -2.160 -2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.272 -2.613 -1.840 1.00 0.00 H new ATOM 777 N LEU A 51 8.751 -0.928 -2.041 1.00 0.00 N ATOM 778 CA LEU A 51 7.594 -0.755 -1.229 1.00 0.00 C ATOM 779 C LEU A 51 6.915 -2.097 -1.037 1.00 0.00 C ATOM 780 O LEU A 51 6.543 -2.755 -2.002 1.00 0.00 O ATOM 781 CB LEU A 51 6.653 0.290 -1.862 1.00 0.00 C ATOM 782 CG LEU A 51 5.462 0.726 -1.015 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.948 1.282 0.297 1.00 0.00 C ATOM 784 CD2 LEU A 51 4.642 1.776 -1.734 1.00 0.00 C ATOM 0 H LEU A 51 8.586 -1.414 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 51 7.876 -0.377 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.240 1.175 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.276 -0.114 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 51 4.832 -0.145 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.094 1.592 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.510 0.516 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.593 2.141 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.799 2.070 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.264 2.647 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.272 1.367 -2.674 1.00 0.00 H new ATOM 796 N GLN A 52 6.803 -2.524 0.190 1.00 0.00 N ATOM 797 CA GLN A 52 6.220 -3.800 0.478 1.00 0.00 C ATOM 798 C GLN A 52 5.024 -3.622 1.393 1.00 0.00 C ATOM 799 O GLN A 52 5.064 -2.846 2.342 1.00 0.00 O ATOM 800 CB GLN A 52 7.249 -4.681 1.115 1.00 0.00 C ATOM 801 CG GLN A 52 6.960 -6.154 1.020 1.00 0.00 C ATOM 802 CD GLN A 52 8.002 -6.972 1.727 1.00 0.00 C ATOM 803 OE1 GLN A 52 8.559 -6.544 2.736 1.00 0.00 O ATOM 804 NE2 GLN A 52 8.328 -8.093 1.179 1.00 0.00 N ATOM 0 H GLN A 52 7.111 -2.001 1.010 1.00 0.00 H new ATOM 0 HA GLN A 52 5.879 -4.268 -0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.215 -4.483 0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.340 -4.409 2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.981 -6.361 1.451 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.915 -6.449 -0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.840 -8.412 0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.073 -8.660 1.583 1.00 0.00 H new ATOM 813 N ILE A 53 3.972 -4.317 1.110 1.00 0.00 N ATOM 814 CA ILE A 53 2.753 -4.183 1.857 1.00 0.00 C ATOM 815 C ILE A 53 2.437 -5.494 2.588 1.00 0.00 C ATOM 816 O ILE A 53 2.637 -6.578 2.047 1.00 0.00 O ATOM 817 CB ILE A 53 1.548 -3.704 0.933 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.653 -2.202 0.551 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.197 -3.947 1.575 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.818 -1.789 -0.322 1.00 0.00 C ATOM 0 H ILE A 53 3.928 -4.998 0.352 1.00 0.00 H new ATOM 0 HA ILE A 53 2.890 -3.405 2.608 1.00 0.00 H new ATOM 0 HB ILE A 53 1.628 -4.307 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.732 -1.918 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.699 -1.622 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.591 -3.603 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.071 -5.013 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.138 -3.400 2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.769 -0.717 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.754 -2.026 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.772 -2.327 -1.269 1.00 0.00 H new ATOM 832 N THR A 54 2.051 -5.386 3.830 1.00 0.00 N ATOM 833 CA THR A 54 1.650 -6.514 4.634 1.00 0.00 C ATOM 834 C THR A 54 0.217 -6.272 5.108 1.00 0.00 C ATOM 835 O THR A 54 -0.169 -5.144 5.304 1.00 0.00 O ATOM 836 CB THR A 54 2.583 -6.639 5.855 1.00 0.00 C ATOM 837 OG1 THR A 54 3.942 -6.667 5.400 1.00 0.00 O ATOM 838 CG2 THR A 54 2.280 -7.903 6.663 1.00 0.00 C ATOM 0 H THR A 54 2.005 -4.495 4.324 1.00 0.00 H new ATOM 0 HA THR A 54 1.708 -7.433 4.051 1.00 0.00 H new ATOM 0 HB THR A 54 2.420 -5.781 6.508 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.543 -6.745 6.170 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.956 -7.960 7.516 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.250 -7.870 7.017 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.418 -8.780 6.031 1.00 0.00 H new ATOM 846 N ASN A 55 -0.572 -7.300 5.237 1.00 0.00 N ATOM 847 CA ASN A 55 -1.930 -7.139 5.715 1.00 0.00 C ATOM 848 C ASN A 55 -1.911 -6.880 7.217 1.00 0.00 C ATOM 849 O ASN A 55 -1.177 -7.535 7.943 1.00 0.00 O ATOM 850 CB ASN A 55 -2.747 -8.375 5.429 1.00 0.00 C ATOM 851 CG ASN A 55 -4.207 -8.130 5.569 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.739 -8.179 6.643 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.865 -7.920 4.507 1.00 0.00 N ATOM 0 H ASN A 55 -0.306 -8.261 5.020 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.384 -6.294 5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.534 -8.723 4.418 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.447 -9.172 6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.875 -7.787 4.551 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.384 -7.884 3.608 1.00 0.00 H new ATOM 860 N ALA A 56 -2.716 -5.945 7.682 1.00 0.00 N ATOM 861 CA ALA A 56 -2.731 -5.591 9.100 1.00 0.00 C ATOM 862 C ALA A 56 -3.577 -6.563 9.899 1.00 0.00 C ATOM 863 O ALA A 56 -3.460 -6.660 11.126 1.00 0.00 O ATOM 864 CB ALA A 56 -3.265 -4.180 9.286 1.00 0.00 C ATOM 0 H ALA A 56 -3.369 -5.414 7.106 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.706 -5.642 9.466 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.270 -3.930 10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.628 -3.476 8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.280 -4.121 8.894 1.00 0.00 H new ATOM 870 N GLN A 57 -4.421 -7.270 9.210 1.00 0.00 N ATOM 871 CA GLN A 57 -5.361 -8.172 9.825 1.00 0.00 C ATOM 872 C GLN A 57 -4.864 -9.615 9.747 1.00 0.00 C ATOM 873 O GLN A 57 -4.752 -10.296 10.767 1.00 0.00 O ATOM 874 CB GLN A 57 -6.699 -8.035 9.106 1.00 0.00 C ATOM 875 CG GLN A 57 -7.214 -6.607 9.063 1.00 0.00 C ATOM 876 CD GLN A 57 -8.366 -6.434 8.109 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.167 -6.143 6.932 1.00 0.00 O ATOM 878 NE2 GLN A 57 -9.554 -6.587 8.595 1.00 0.00 N ATOM 0 H GLN A 57 -4.481 -7.240 8.192 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.472 -7.918 10.879 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.596 -8.408 8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.437 -8.665 9.603 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.528 -6.308 10.063 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.402 -5.941 8.771 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.675 -6.829 9.578 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.370 -6.466 7.995 1.00 0.00 H new ATOM 887 N THR A 58 -4.522 -10.061 8.549 1.00 0.00 N ATOM 888 CA THR A 58 -4.162 -11.449 8.325 1.00 0.00 C ATOM 889 C THR A 58 -2.668 -11.627 8.464 1.00 0.00 C ATOM 890 O THR A 58 -2.166 -12.752 8.603 1.00 0.00 O ATOM 891 CB THR A 58 -4.611 -11.912 6.916 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.834 -11.242 5.913 1.00 0.00 O ATOM 893 CG2 THR A 58 -6.063 -11.538 6.696 1.00 0.00 C ATOM 0 H THR A 58 -4.487 -9.477 7.713 1.00 0.00 H new ATOM 0 HA THR A 58 -4.671 -12.058 9.073 1.00 0.00 H new ATOM 0 HB THR A 58 -4.476 -12.991 6.847 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.121 -11.539 5.024 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.377 -11.865 5.704 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.682 -12.023 7.451 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.176 -10.457 6.775 1.00 0.00 H new ATOM 901 N LYS A 59 -1.961 -10.487 8.407 1.00 0.00 N ATOM 902 CA LYS A 59 -0.509 -10.401 8.534 1.00 0.00 C ATOM 903 C LYS A 59 0.191 -11.025 7.340 1.00 0.00 C ATOM 904 O LYS A 59 1.396 -11.274 7.372 1.00 0.00 O ATOM 905 CB LYS A 59 -0.022 -11.007 9.861 1.00 0.00 C ATOM 906 CG LYS A 59 -0.663 -10.377 11.099 1.00 0.00 C ATOM 907 CD LYS A 59 -0.384 -8.876 11.217 1.00 0.00 C ATOM 908 CE LYS A 59 1.105 -8.563 11.356 1.00 0.00 C ATOM 909 NZ LYS A 59 1.709 -9.187 12.555 1.00 0.00 N ATOM 0 H LYS A 59 -2.402 -9.578 8.267 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.244 -9.344 8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.231 -12.077 9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.060 -10.894 9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.740 -10.540 11.066 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.291 -10.882 11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.778 -8.367 10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.917 -8.478 12.081 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.630 -8.911 10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.242 -7.483 11.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.680 -8.836 12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.145 -8.944 13.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.727 -10.220 12.437 1.00 0.00 H new ATOM 923 N GLU A 60 -0.554 -11.208 6.266 1.00 0.00 N ATOM 924 CA GLU A 60 -0.005 -11.793 5.079 1.00 0.00 C ATOM 925 C GLU A 60 0.738 -10.726 4.290 1.00 0.00 C ATOM 926 O GLU A 60 0.222 -9.620 4.109 1.00 0.00 O ATOM 927 CB GLU A 60 -1.123 -12.399 4.229 1.00 0.00 C ATOM 928 CG GLU A 60 -0.625 -13.154 3.014 1.00 0.00 C ATOM 929 CD GLU A 60 0.253 -14.308 3.400 1.00 0.00 C ATOM 930 OE1 GLU A 60 1.456 -14.096 3.644 1.00 0.00 O ATOM 931 OE2 GLU A 60 -0.248 -15.451 3.467 1.00 0.00 O ATOM 0 H GLU A 60 -1.540 -10.957 6.201 1.00 0.00 H new ATOM 0 HA GLU A 60 0.690 -12.586 5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.713 -13.075 4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.791 -11.602 3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.476 -13.520 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.070 -12.475 2.366 1.00 0.00 H new ATOM 938 N GLU A 61 1.938 -11.029 3.860 1.00 0.00 N ATOM 939 CA GLU A 61 2.696 -10.122 3.082 1.00 0.00 C ATOM 940 C GLU A 61 2.310 -10.224 1.634 1.00 0.00 C ATOM 941 O GLU A 61 1.934 -11.294 1.137 1.00 0.00 O ATOM 942 CB GLU A 61 4.176 -10.382 3.234 1.00 0.00 C ATOM 943 CG GLU A 61 4.754 -9.951 4.557 1.00 0.00 C ATOM 944 CD GLU A 61 6.230 -10.277 4.679 1.00 0.00 C ATOM 945 OE1 GLU A 61 6.590 -11.479 4.682 1.00 0.00 O ATOM 946 OE2 GLU A 61 7.068 -9.340 4.725 1.00 0.00 O ATOM 0 H GLU A 61 2.404 -11.917 4.048 1.00 0.00 H new ATOM 0 HA GLU A 61 2.482 -9.115 3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.360 -11.448 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.707 -9.865 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.611 -8.877 4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.209 -10.440 5.365 1.00 0.00 H new ATOM 953 N TYR A 62 2.374 -9.123 0.981 1.00 0.00 N ATOM 954 CA TYR A 62 2.103 -9.042 -0.421 1.00 0.00 C ATOM 955 C TYR A 62 3.424 -8.835 -1.117 1.00 0.00 C ATOM 956 O TYR A 62 4.010 -7.747 -1.047 1.00 0.00 O ATOM 957 CB TYR A 62 1.150 -7.888 -0.718 1.00 0.00 C ATOM 958 CG TYR A 62 -0.156 -7.991 0.020 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.309 -7.456 1.283 1.00 0.00 C ATOM 960 CD2 TYR A 62 -1.226 -8.634 -0.543 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.494 -7.554 1.957 1.00 0.00 C ATOM 962 CE2 TYR A 62 -2.417 -8.739 0.119 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.548 -8.199 1.373 1.00 0.00 C ATOM 964 OH TYR A 62 -3.739 -8.303 2.041 1.00 0.00 O ATOM 0 H TYR A 62 2.621 -8.230 1.407 1.00 0.00 H new ATOM 0 HA TYR A 62 1.622 -9.954 -0.774 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.635 -6.948 -0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.952 -7.855 -1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.524 -6.950 1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.127 -9.066 -1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.597 -7.125 2.943 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.252 -9.245 -0.343 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.384 -8.789 1.486 1.00 0.00 H new ATOM 974 N THR A 63 3.924 -9.872 -1.717 1.00 0.00 N ATOM 975 CA THR A 63 5.230 -9.829 -2.316 1.00 0.00 C ATOM 976 C THR A 63 5.181 -9.633 -3.828 1.00 0.00 C ATOM 977 O THR A 63 6.014 -8.903 -4.398 1.00 0.00 O ATOM 978 CB THR A 63 6.029 -11.092 -1.938 1.00 0.00 C ATOM 979 OG1 THR A 63 5.199 -12.260 -2.127 1.00 0.00 O ATOM 980 CG2 THR A 63 6.490 -11.022 -0.487 1.00 0.00 C ATOM 0 H THR A 63 3.445 -10.768 -1.807 1.00 0.00 H new ATOM 0 HA THR A 63 5.743 -8.954 -1.916 1.00 0.00 H new ATOM 0 HB THR A 63 6.908 -11.156 -2.579 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.706 -13.064 -1.889 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.052 -11.923 -0.240 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.126 -10.148 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.622 -10.945 0.167 1.00 0.00 H new ATOM 988 N ASP A 64 4.202 -10.240 -4.475 1.00 0.00 N ATOM 989 CA ASP A 64 4.088 -10.144 -5.924 1.00 0.00 C ATOM 990 C ASP A 64 3.262 -8.925 -6.240 1.00 0.00 C ATOM 991 O ASP A 64 2.275 -8.677 -5.574 1.00 0.00 O ATOM 992 CB ASP A 64 3.380 -11.369 -6.503 1.00 0.00 C ATOM 993 CG ASP A 64 3.701 -11.577 -7.944 1.00 0.00 C ATOM 994 OD1 ASP A 64 3.241 -10.794 -8.764 1.00 0.00 O ATOM 995 OD2 ASP A 64 4.428 -12.534 -8.283 1.00 0.00 O ATOM 0 H ASP A 64 3.478 -10.801 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 64 5.086 -10.082 -6.358 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.669 -12.255 -5.937 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.303 -11.253 -6.386 1.00 0.00 H new ATOM 1000 N ASP A 65 3.624 -8.183 -7.255 1.00 0.00 N ATOM 1001 CA ASP A 65 2.908 -6.946 -7.610 1.00 0.00 C ATOM 1002 C ASP A 65 1.510 -7.209 -8.142 1.00 0.00 C ATOM 1003 O ASP A 65 0.697 -6.279 -8.280 1.00 0.00 O ATOM 1004 CB ASP A 65 3.695 -6.093 -8.598 1.00 0.00 C ATOM 1005 CG ASP A 65 4.995 -5.587 -8.038 1.00 0.00 C ATOM 1006 OD1 ASP A 65 5.901 -6.392 -7.762 1.00 0.00 O ATOM 1007 OD2 ASP A 65 5.138 -4.367 -7.856 1.00 0.00 O ATOM 0 H ASP A 65 4.413 -8.401 -7.864 1.00 0.00 H new ATOM 0 HA ASP A 65 2.807 -6.389 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.897 -6.679 -9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.083 -5.244 -8.903 1.00 0.00 H new ATOM 1012 N ASN A 66 1.226 -8.463 -8.416 1.00 0.00 N ATOM 1013 CA ASN A 66 -0.078 -8.874 -8.903 1.00 0.00 C ATOM 1014 C ASN A 66 -0.994 -9.187 -7.735 1.00 0.00 C ATOM 1015 O ASN A 66 -2.187 -9.493 -7.928 1.00 0.00 O ATOM 1016 CB ASN A 66 0.036 -10.093 -9.829 1.00 0.00 C ATOM 1017 CG ASN A 66 0.867 -9.817 -11.069 1.00 0.00 C ATOM 1018 OD1 ASN A 66 0.351 -9.424 -12.121 1.00 0.00 O ATOM 1019 ND2 ASN A 66 2.151 -9.990 -10.945 1.00 0.00 N ATOM 0 H ASN A 66 1.891 -9.229 -8.308 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.501 -8.051 -9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.480 -10.922 -9.277 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.963 -10.409 -10.130 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.770 -9.800 -11.733 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.539 -10.316 -10.060 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.437 -9.126 -6.514 1.00 0.00 N ATOM 1027 CA ALA A 67 -1.212 -9.333 -5.310 1.00 0.00 C ATOM 1028 C ALA A 67 -2.243 -8.238 -5.204 1.00 0.00 C ATOM 1029 O ALA A 67 -1.973 -7.122 -5.580 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.325 -9.373 -4.077 1.00 0.00 C ATOM 0 H ALA A 67 0.551 -8.934 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.712 -10.300 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.940 -9.530 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.391 -10.189 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.211 -8.429 -3.984 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.400 -8.542 -4.741 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.462 -7.573 -4.746 1.00 0.00 C ATOM 1038 C LEU A 68 -4.916 -7.235 -3.338 1.00 0.00 C ATOM 1039 O LEU A 68 -4.984 -8.124 -2.460 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.614 -8.079 -5.618 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.386 -9.279 -5.075 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.569 -8.815 -4.283 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.780 -10.250 -6.169 1.00 0.00 C ATOM 0 H LEU A 68 -3.647 -9.451 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.090 -6.643 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.316 -7.259 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.214 -8.342 -6.597 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.724 -9.832 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.112 -9.679 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.230 -8.201 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.227 -8.227 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.327 -11.086 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.413 -9.742 -6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.884 -10.622 -6.666 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.146 -5.974 -3.090 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.663 -5.563 -1.818 1.00 0.00 C ATOM 1057 C ILE A 69 -7.050 -4.930 -2.009 1.00 0.00 C ATOM 1058 O ILE A 69 -7.205 -3.963 -2.742 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.729 -4.572 -1.026 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.338 -5.171 -0.730 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.386 -4.135 0.277 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.364 -5.174 -1.895 1.00 0.00 C ATOM 0 H ILE A 69 -4.983 -5.216 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.724 -6.465 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.583 -3.706 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.890 -4.615 0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.470 -6.197 -0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.723 -3.451 0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.328 -3.631 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.578 -5.009 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.419 -5.616 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.780 -5.758 -2.716 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.192 -4.151 -2.228 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.071 -5.527 -1.421 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.435 -5.013 -1.472 1.00 0.00 C ATOM 1076 C PRO A 70 -9.719 -3.901 -0.466 1.00 0.00 C ATOM 1077 O PRO A 70 -9.046 -3.769 0.558 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.265 -6.233 -1.128 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.387 -7.032 -0.233 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.993 -6.798 -0.702 1.00 0.00 C ATOM 0 HA PRO A 70 -9.647 -4.562 -2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.194 -5.955 -0.630 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.538 -6.794 -2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.505 -6.723 0.806 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.642 -8.091 -0.282 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.295 -6.742 0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.650 -7.604 -1.351 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.772 -3.149 -0.749 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.248 -2.050 0.116 1.00 0.00 C ATOM 1090 C LYS A 71 -11.814 -2.570 1.440 1.00 0.00 C ATOM 1091 O LYS A 71 -12.126 -1.800 2.344 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.319 -1.226 -0.615 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.390 -2.080 -1.277 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.522 -1.256 -1.874 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.347 -0.544 -0.808 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.397 0.299 -1.409 1.00 0.00 N ATOM 0 H LYS A 71 -11.334 -3.276 -1.591 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.389 -1.419 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.793 -0.548 0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.837 -0.608 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.933 -2.682 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.800 -2.773 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.108 -0.519 -2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.172 -1.907 -2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.804 -1.281 -0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.693 0.073 -0.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.081 0.577 -0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.965 1.151 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.887 -0.236 -2.155 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.965 -3.875 1.525 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.475 -4.523 2.722 1.00 0.00 C ATOM 1112 C ASN A 72 -11.358 -4.844 3.697 1.00 0.00 C ATOM 1113 O ASN A 72 -11.604 -5.372 4.776 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.254 -5.814 2.396 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.549 -5.571 1.647 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -15.573 -5.300 2.254 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -14.541 -5.750 0.343 1.00 0.00 N ATOM 0 H ASN A 72 -11.738 -4.520 0.768 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.161 -3.813 3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.619 -6.471 1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.475 -6.339 3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.407 -5.663 -0.189 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.669 -5.976 -0.135 1.00 0.00 H new ATOM 1124 N SER A 73 -10.142 -4.538 3.330 1.00 0.00 N ATOM 1125 CA SER A 73 -9.023 -4.868 4.160 1.00 0.00 C ATOM 1126 C SER A 73 -8.224 -3.638 4.565 1.00 0.00 C ATOM 1127 O SER A 73 -8.305 -2.581 3.932 1.00 0.00 O ATOM 1128 CB SER A 73 -8.135 -5.882 3.442 1.00 0.00 C ATOM 1129 OG SER A 73 -8.866 -7.074 3.170 1.00 0.00 O ATOM 0 H SER A 73 -9.905 -4.060 2.460 1.00 0.00 H new ATOM 0 HA SER A 73 -9.405 -5.309 5.081 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.763 -5.455 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.265 -6.113 4.056 1.00 0.00 H new ATOM 0 HG SER A 73 -8.286 -7.715 2.708 1.00 0.00 H new ATOM 1135 N SER A 74 -7.507 -3.776 5.648 1.00 0.00 N ATOM 1136 CA SER A 74 -6.614 -2.767 6.120 1.00 0.00 C ATOM 1137 C SER A 74 -5.198 -3.336 6.034 1.00 0.00 C ATOM 1138 O SER A 74 -4.948 -4.478 6.468 1.00 0.00 O ATOM 1139 CB SER A 74 -6.964 -2.409 7.556 1.00 0.00 C ATOM 1140 OG SER A 74 -8.364 -2.190 7.685 1.00 0.00 O ATOM 0 H SER A 74 -7.532 -4.611 6.234 1.00 0.00 H new ATOM 0 HA SER A 74 -6.690 -1.860 5.521 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.652 -3.212 8.224 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.420 -1.514 7.857 1.00 0.00 H new ATOM 0 HG SER A 74 -8.575 -1.962 8.614 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.289 -2.595 5.460 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.945 -3.088 5.256 1.00 0.00 C ATOM 1148 C VAL A 75 -1.874 -2.137 5.812 1.00 0.00 C ATOM 1149 O VAL A 75 -2.130 -0.954 6.065 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.663 -3.446 3.753 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.534 -4.607 3.292 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.905 -2.258 2.836 1.00 0.00 C ATOM 0 H VAL A 75 -4.451 -1.646 5.123 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.878 -4.013 5.829 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.613 -3.731 3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.317 -4.832 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.324 -5.484 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.585 -4.336 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.699 -2.546 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.943 -1.937 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.247 -1.438 3.122 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.707 -2.684 6.026 1.00 0.00 N ATOM 1163 CA ILE A 76 0.449 -1.979 6.529 1.00 0.00 C ATOM 1164 C ILE A 76 1.377 -1.749 5.362 1.00 0.00 C ATOM 1165 O ILE A 76 1.768 -2.705 4.672 1.00 0.00 O ATOM 1166 CB ILE A 76 1.222 -2.833 7.587 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.308 -3.266 8.744 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.447 -2.082 8.121 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.294 -2.123 9.530 1.00 0.00 C ATOM 0 H ILE A 76 -0.525 -3.672 5.849 1.00 0.00 H new ATOM 0 HA ILE A 76 0.124 -1.050 6.998 1.00 0.00 H new ATOM 0 HB ILE A 76 1.568 -3.734 7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.499 -3.879 8.343 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.879 -3.897 9.425 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.963 -2.702 8.854 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.123 -1.856 7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.127 -1.153 8.592 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.924 -2.521 10.326 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.504 -1.521 9.965 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.896 -1.502 8.866 1.00 0.00 H new ATOM 1181 N VAL A 77 1.718 -0.526 5.123 1.00 0.00 N ATOM 1182 CA VAL A 77 2.574 -0.198 4.019 1.00 0.00 C ATOM 1183 C VAL A 77 3.967 0.111 4.551 1.00 0.00 C ATOM 1184 O VAL A 77 4.146 1.027 5.367 1.00 0.00 O ATOM 1185 CB VAL A 77 2.003 0.977 3.204 1.00 0.00 C ATOM 1186 CG1 VAL A 77 2.842 1.241 1.985 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.574 0.682 2.801 1.00 0.00 C ATOM 0 H VAL A 77 1.416 0.273 5.680 1.00 0.00 H new ATOM 0 HA VAL A 77 2.635 -1.048 3.340 1.00 0.00 H new ATOM 0 HB VAL A 77 2.020 1.870 3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.419 2.075 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.859 1.487 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.858 0.352 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.178 1.519 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.547 -0.222 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.033 0.537 3.694 1.00 0.00 H new ATOM 1197 N ARG A 78 4.933 -0.652 4.106 1.00 0.00 N ATOM 1198 CA ARG A 78 6.269 -0.584 4.633 1.00 0.00 C ATOM 1199 C ARG A 78 7.298 -0.388 3.514 1.00 0.00 C ATOM 1200 O ARG A 78 7.292 -1.097 2.513 1.00 0.00 O ATOM 1201 CB ARG A 78 6.530 -1.894 5.379 1.00 0.00 C ATOM 1202 CG ARG A 78 7.885 -2.020 6.035 1.00 0.00 C ATOM 1203 CD ARG A 78 8.008 -3.362 6.732 1.00 0.00 C ATOM 1204 NE ARG A 78 7.889 -4.497 5.793 1.00 0.00 N ATOM 1205 CZ ARG A 78 7.391 -5.712 6.108 1.00 0.00 C ATOM 1206 NH1 ARG A 78 6.980 -5.973 7.347 1.00 0.00 N ATOM 1207 NH2 ARG A 78 7.347 -6.664 5.187 1.00 0.00 N ATOM 0 H ARG A 78 4.812 -1.341 3.364 1.00 0.00 H new ATOM 0 HA ARG A 78 6.365 0.270 5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.764 -2.012 6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.409 -2.720 4.678 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.670 -1.918 5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.025 -1.214 6.755 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.969 -3.416 7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.235 -3.444 7.496 1.00 0.00 H new ATOM 0 HE ARG A 78 8.207 -4.352 4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.040 -5.253 8.067 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.605 -6.893 7.577 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.689 -6.478 4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.972 -7.583 5.421 1.00 0.00 H new ATOM 1221 N ARG A 79 8.171 0.571 3.688 1.00 0.00 N ATOM 1222 CA ARG A 79 9.230 0.816 2.724 1.00 0.00 C ATOM 1223 C ARG A 79 10.379 -0.139 3.030 1.00 0.00 C ATOM 1224 O ARG A 79 10.913 -0.126 4.144 1.00 0.00 O ATOM 1225 CB ARG A 79 9.700 2.278 2.806 1.00 0.00 C ATOM 1226 CG ARG A 79 10.754 2.651 1.773 1.00 0.00 C ATOM 1227 CD ARG A 79 11.173 4.113 1.888 1.00 0.00 C ATOM 1228 NE ARG A 79 11.863 4.414 3.150 1.00 0.00 N ATOM 1229 CZ ARG A 79 12.045 5.651 3.650 1.00 0.00 C ATOM 1230 NH1 ARG A 79 11.531 6.714 3.029 1.00 0.00 N ATOM 1231 NH2 ARG A 79 12.741 5.825 4.766 1.00 0.00 N ATOM 0 H ARG A 79 8.175 1.201 4.490 1.00 0.00 H new ATOM 0 HA ARG A 79 8.866 0.644 1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.838 2.933 2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.101 2.464 3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.628 2.012 1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.364 2.463 0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.827 4.365 1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.290 4.746 1.803 1.00 0.00 H new ATOM 0 HE ARG A 79 12.231 3.628 3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.996 6.593 2.169 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.673 7.648 3.414 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.141 5.020 5.249 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.877 6.764 5.141 1.00 0.00 H new ATOM 1245 N ILE A 80 10.744 -0.968 2.079 1.00 0.00 N ATOM 1246 CA ILE A 80 11.771 -1.971 2.311 1.00 0.00 C ATOM 1247 C ILE A 80 12.974 -1.735 1.398 1.00 0.00 C ATOM 1248 O ILE A 80 12.850 -1.053 0.371 1.00 0.00 O ATOM 1249 CB ILE A 80 11.203 -3.453 2.213 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.674 -3.842 0.819 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.120 -3.682 3.241 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.707 -4.391 -0.133 1.00 0.00 C ATOM 0 H ILE A 80 10.349 -0.972 1.138 1.00 0.00 H new ATOM 0 HA ILE A 80 12.118 -1.861 3.338 1.00 0.00 H new ATOM 0 HB ILE A 80 12.060 -4.097 2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.886 -4.585 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.216 -2.964 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.747 -4.702 3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.528 -3.528 4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.303 -2.981 3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.233 -4.633 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.485 -3.645 -0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.151 -5.292 0.291 1.00 0.00 H new ATOM 1264 N PRO A 81 14.161 -2.227 1.779 1.00 0.00 N ATOM 1265 CA PRO A 81 15.361 -2.066 0.975 1.00 0.00 C ATOM 1266 C PRO A 81 15.272 -2.772 -0.357 1.00 0.00 C ATOM 1267 O PRO A 81 14.914 -3.945 -0.428 1.00 0.00 O ATOM 1268 CB PRO A 81 16.476 -2.695 1.825 1.00 0.00 C ATOM 1269 CG PRO A 81 15.775 -3.589 2.784 1.00 0.00 C ATOM 1270 CD PRO A 81 14.440 -2.955 3.039 1.00 0.00 C ATOM 0 HA PRO A 81 15.530 -1.016 0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.177 -3.254 1.205 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.052 -1.931 2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.659 -4.591 2.370 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.342 -3.690 3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.674 -3.701 3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.472 -2.280 3.895 1.00 0.00 H new ATOM 1278 N ILE A 82 15.611 -2.055 -1.417 1.00 0.00 N ATOM 1279 CA ILE A 82 15.681 -2.655 -2.759 1.00 0.00 C ATOM 1280 C ILE A 82 16.778 -3.718 -2.789 1.00 0.00 C ATOM 1281 O ILE A 82 16.765 -4.629 -3.602 1.00 0.00 O ATOM 1282 CB ILE A 82 15.963 -1.608 -3.862 1.00 0.00 C ATOM 1283 CG1 ILE A 82 17.077 -0.638 -3.419 1.00 0.00 C ATOM 1284 CG2 ILE A 82 14.701 -0.875 -4.249 1.00 0.00 C ATOM 1285 CD1 ILE A 82 17.553 0.308 -4.494 1.00 0.00 C ATOM 0 H ILE A 82 15.842 -1.062 -1.385 1.00 0.00 H new ATOM 0 HA ILE A 82 14.707 -3.099 -2.964 1.00 0.00 H new ATOM 0 HB ILE A 82 16.316 -2.131 -4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 82 16.716 -0.053 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 82 17.927 -1.220 -3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 82 14.928 -0.145 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.967 -1.588 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 82 14.296 -0.362 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 82 18.336 0.951 -4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 82 17.949 -0.264 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 82 16.719 0.921 -4.835 1.00 0.00 H new ATOM 1297 N GLY A 83 17.711 -3.548 -1.899 1.00 0.00 N ATOM 1298 CA GLY A 83 18.776 -4.468 -1.673 1.00 0.00 C ATOM 1299 C GLY A 83 19.355 -4.160 -0.326 1.00 0.00 C ATOM 1300 O GLY A 83 19.324 -4.973 0.595 1.00 0.00 O ATOM 0 H GLY A 83 17.748 -2.731 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 83 18.411 -5.494 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.536 -4.373 -2.448 1.00 0.00 H new ATOM 1304 N GLY A 84 19.808 -2.946 -0.197 1.00 0.00 N ATOM 1305 CA GLY A 84 20.328 -2.447 1.039 1.00 0.00 C ATOM 1306 C GLY A 84 19.888 -1.026 1.230 1.00 0.00 C ATOM 1307 O GLY A 84 19.731 -0.545 2.361 1.00 0.00 O ATOM 0 H GLY A 84 19.826 -2.268 -0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.977 -3.062 1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.416 -2.505 1.038 1.00 0.00 H new ATOM 1311 N VAL A 85 19.669 -0.351 0.112 1.00 0.00 N ATOM 1312 CA VAL A 85 19.217 1.015 0.126 1.00 0.00 C ATOM 1313 C VAL A 85 17.788 1.078 0.627 1.00 0.00 C ATOM 1314 O VAL A 85 16.868 0.479 0.037 1.00 0.00 O ATOM 1315 CB VAL A 85 19.282 1.682 -1.269 1.00 0.00 C ATOM 1316 CG1 VAL A 85 19.116 3.192 -1.160 1.00 0.00 C ATOM 1317 CG2 VAL A 85 20.554 1.326 -2.003 1.00 0.00 C ATOM 0 H VAL A 85 19.801 -0.740 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 85 19.888 1.560 0.790 1.00 0.00 H new ATOM 0 HB VAL A 85 18.451 1.291 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 85 19.166 3.636 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.151 3.420 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 85 19.913 3.602 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 85 20.561 1.814 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 85 21.414 1.661 -1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 85 20.606 0.246 -2.138 1.00 0.00 H new ATOM 1327 N LYS A 86 17.657 1.717 1.739 1.00 0.00 N ATOM 1328 CA LYS A 86 16.420 2.016 2.392 1.00 0.00 C ATOM 1329 C LYS A 86 16.687 3.157 3.317 1.00 0.00 C ATOM 1330 O LYS A 86 17.756 3.133 3.982 1.00 0.00 O ATOM 1331 CB LYS A 86 15.765 0.784 3.095 1.00 0.00 C ATOM 1332 CG LYS A 86 16.595 0.023 4.146 1.00 0.00 C ATOM 1333 CD LYS A 86 16.602 0.711 5.505 1.00 0.00 C ATOM 1334 CE LYS A 86 17.262 -0.148 6.574 1.00 0.00 C ATOM 1335 NZ LYS A 86 18.666 -0.488 6.256 1.00 0.00 N ATOM 1336 OXT LYS A 86 15.901 4.095 3.374 1.00 0.00 O ATOM 0 H LYS A 86 18.464 2.070 2.254 1.00 0.00 H new ATOM 0 HA LYS A 86 15.668 2.297 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.848 1.123 3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.475 0.074 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.196 -0.985 4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 86 17.620 -0.077 3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 86 17.129 1.662 5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.578 0.937 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.228 0.379 7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.690 -1.068 6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.089 -1.001 7.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.694 -1.088 5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 19.204 0.385 6.081 1.00 0.00 H new TER 1350 LYS A 86