USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 640 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 51 THR OG1 : rot 170:sc= 0.0472 USER MOD Set 1.2: A 54 GLN : amide:sc= 1.24 K(o=2.1,f=-1.5) USER MOD Set 1.3: A 61 HIS : no HD1:sc= 0.795 K(o=2.1,f=-6.3!) USER MOD Set 2.1: A 7 THR OG1 : rot -110:sc= 0.428 USER MOD Set 2.2: A 18 LYS NZ :NH3+ -176:sc= 0.459 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.576 (180deg=0.0422) USER MOD Single : A 2 ASN : amide:sc= -0.0508 K(o=-0.051,f=-0.96) USER MOD Single : A 6 TYR OH : rot -15:sc= 1.14 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 92:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0896 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 36 ASN : amide:sc= -3.65 K(o=-3.6,f=-1.8) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= 1.14 (180deg=0.513) USER MOD Single : A 43 MET CE :methyl 171:sc= -1.98 (180deg=-2.63) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -39:sc= 1.45 USER MOD Single : A 50 THR OG1 : rot 160:sc= -0.367 USER MOD Single : A 60 GLN : amide:sc= -0.869! K(o=-0.87!,f=-0.024) USER MOD Single : A 65 TYR OH : rot -112:sc= 2.01 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 163:sc= -0.0614 (180deg=-0.296) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.212 8.249 -6.873 1.00 0.00 N ATOM 2 CA ALA A 1 -7.084 8.547 -5.980 1.00 0.00 C ATOM 3 C ALA A 1 -5.821 7.878 -6.504 1.00 0.00 C ATOM 4 O ALA A 1 -5.903 6.726 -6.920 1.00 0.00 O ATOM 5 CB ALA A 1 -7.371 8.084 -4.554 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.065 8.069 -6.306 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.379 9.059 -7.503 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.991 7.407 -7.442 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.940 9.627 -5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.518 8.318 -3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.257 8.595 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.543 7.008 -4.549 1.00 0.00 H new ATOM 13 N ASN A 2 -4.652 8.529 -6.456 1.00 0.00 N ATOM 14 CA ASN A 2 -3.385 7.886 -6.801 1.00 0.00 C ATOM 15 C ASN A 2 -3.029 6.951 -5.652 1.00 0.00 C ATOM 16 O ASN A 2 -2.452 7.374 -4.650 1.00 0.00 O ATOM 17 CB ASN A 2 -2.230 8.873 -7.099 1.00 0.00 C ATOM 18 CG ASN A 2 -2.635 10.244 -7.601 1.00 0.00 C ATOM 19 OD1 ASN A 2 -3.094 11.084 -6.838 1.00 0.00 O ATOM 20 ND2 ASN A 2 -2.484 10.510 -8.887 1.00 0.00 N ATOM 0 H ASN A 2 -4.561 9.507 -6.179 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.518 7.342 -7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.645 9.001 -6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.572 8.417 -7.839 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.751 11.424 -9.254 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.100 9.802 -9.513 1.00 0.00 H new ATOM 27 N VAL A 3 -3.411 5.685 -5.754 1.00 0.00 N ATOM 28 CA VAL A 3 -3.119 4.687 -4.740 1.00 0.00 C ATOM 29 C VAL A 3 -1.817 4.022 -5.116 1.00 0.00 C ATOM 30 O VAL A 3 -1.632 3.638 -6.272 1.00 0.00 O ATOM 31 CB VAL A 3 -4.288 3.701 -4.602 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.011 2.553 -3.617 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.475 4.519 -4.078 1.00 0.00 C ATOM 0 H VAL A 3 -3.936 5.322 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.004 5.141 -3.756 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.470 3.235 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.880 1.896 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.144 1.985 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.813 2.963 -2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.341 3.868 -3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.217 4.959 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.712 5.312 -4.787 1.00 0.00 H new ATOM 43 N GLU A 4 -0.942 3.866 -4.134 1.00 0.00 N ATOM 44 CA GLU A 4 0.330 3.195 -4.283 1.00 0.00 C ATOM 45 C GLU A 4 0.417 2.102 -3.247 1.00 0.00 C ATOM 46 O GLU A 4 -0.130 2.244 -2.147 1.00 0.00 O ATOM 47 CB GLU A 4 1.477 4.168 -4.018 1.00 0.00 C ATOM 48 CG GLU A 4 1.663 5.279 -5.044 1.00 0.00 C ATOM 49 CD GLU A 4 2.585 6.359 -4.473 1.00 0.00 C ATOM 50 OE1 GLU A 4 3.633 6.016 -3.880 1.00 0.00 O ATOM 51 OE2 GLU A 4 2.219 7.555 -4.608 1.00 0.00 O ATOM 0 H GLU A 4 -1.106 4.213 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 4 0.405 2.799 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.320 4.626 -3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.404 3.598 -3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.088 4.872 -5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.697 5.712 -5.305 1.00 0.00 H new ATOM 58 N ILE A 5 1.157 1.044 -3.574 1.00 0.00 N ATOM 59 CA ILE A 5 1.429 -0.016 -2.638 1.00 0.00 C ATOM 60 C ILE A 5 2.839 -0.575 -2.829 1.00 0.00 C ATOM 61 O ILE A 5 3.160 -1.193 -3.845 1.00 0.00 O ATOM 62 CB ILE A 5 0.266 -1.015 -2.663 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.421 -1.918 -1.427 1.00 0.00 C ATOM 64 CG2 ILE A 5 0.060 -1.790 -3.972 1.00 0.00 C ATOM 65 CD1 ILE A 5 -0.781 -2.818 -1.155 1.00 0.00 C ATOM 0 H ILE A 5 1.578 0.909 -4.493 1.00 0.00 H new ATOM 0 HA ILE A 5 1.461 0.349 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.665 -0.450 -2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.306 -2.541 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.597 -1.291 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.790 -2.464 -3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.132 -1.088 -4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.956 -2.369 -4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.590 -3.421 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.666 -2.203 -0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.946 -3.473 -2.010 1.00 0.00 H new ATOM 77 N TYR A 6 3.695 -0.306 -1.846 1.00 0.00 N ATOM 78 CA TYR A 6 5.077 -0.760 -1.788 1.00 0.00 C ATOM 79 C TYR A 6 5.067 -2.217 -1.312 1.00 0.00 C ATOM 80 O TYR A 6 4.452 -2.498 -0.278 1.00 0.00 O ATOM 81 CB TYR A 6 5.887 0.169 -0.865 1.00 0.00 C ATOM 82 CG TYR A 6 5.981 1.615 -1.354 1.00 0.00 C ATOM 83 CD1 TYR A 6 4.851 2.458 -1.318 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.183 2.119 -1.893 1.00 0.00 C ATOM 85 CE1 TYR A 6 4.890 3.746 -1.871 1.00 0.00 C ATOM 86 CE2 TYR A 6 7.238 3.418 -2.433 1.00 0.00 C ATOM 87 CZ TYR A 6 6.076 4.220 -2.460 1.00 0.00 C ATOM 88 OH TYR A 6 6.082 5.415 -3.099 1.00 0.00 O ATOM 0 H TYR A 6 3.432 0.257 -1.037 1.00 0.00 H new ATOM 0 HA TYR A 6 5.559 -0.720 -2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.434 0.162 0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.895 -0.233 -0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.940 2.106 -0.857 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.070 1.502 -1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.011 4.373 -1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.168 3.801 -2.826 1.00 0.00 H new ATOM 0 HH TYR A 6 5.160 5.699 -3.270 1.00 0.00 H new ATOM 98 N THR A 7 5.668 -3.145 -2.069 1.00 0.00 N ATOM 99 CA THR A 7 5.577 -4.590 -1.836 1.00 0.00 C ATOM 100 C THR A 7 6.894 -5.323 -2.172 1.00 0.00 C ATOM 101 O THR A 7 7.786 -4.743 -2.797 1.00 0.00 O ATOM 102 CB THR A 7 4.372 -5.170 -2.615 1.00 0.00 C ATOM 103 OG1 THR A 7 4.502 -5.078 -4.022 1.00 0.00 O ATOM 104 CG2 THR A 7 3.034 -4.498 -2.295 1.00 0.00 C ATOM 0 H THR A 7 6.243 -2.905 -2.877 1.00 0.00 H new ATOM 0 HA THR A 7 5.412 -4.755 -0.771 1.00 0.00 H new ATOM 0 HB THR A 7 4.376 -6.208 -2.283 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.865 -4.418 -4.367 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.243 -4.964 -2.883 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.813 -4.614 -1.234 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.092 -3.437 -2.540 1.00 0.00 H new ATOM 112 N LYS A 8 7.012 -6.606 -1.794 1.00 0.00 N ATOM 113 CA LYS A 8 8.159 -7.475 -2.101 1.00 0.00 C ATOM 114 C LYS A 8 7.644 -8.829 -2.600 1.00 0.00 C ATOM 115 O LYS A 8 6.434 -9.078 -2.559 1.00 0.00 O ATOM 116 CB LYS A 8 9.163 -7.636 -0.915 1.00 0.00 C ATOM 117 CG LYS A 8 8.708 -7.223 0.494 1.00 0.00 C ATOM 118 CD LYS A 8 9.756 -7.325 1.632 1.00 0.00 C ATOM 119 CE LYS A 8 10.290 -8.757 1.809 1.00 0.00 C ATOM 120 NZ LYS A 8 11.151 -8.915 3.003 1.00 0.00 N ATOM 0 H LYS A 8 6.291 -7.081 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 8 8.738 -6.990 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.461 -8.684 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.056 -7.060 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.358 -6.192 0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.851 -7.839 0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.588 -6.654 1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.307 -6.989 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.448 -9.445 1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.856 -9.039 0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.479 -9.900 3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.972 -8.281 2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.608 -8.675 3.857 1.00 0.00 H new ATOM 134 N GLU A 9 8.562 -9.692 -3.041 1.00 0.00 N ATOM 135 CA GLU A 9 8.299 -11.023 -3.604 1.00 0.00 C ATOM 136 C GLU A 9 7.587 -11.931 -2.600 1.00 0.00 C ATOM 137 O GLU A 9 6.778 -12.782 -2.982 1.00 0.00 O ATOM 138 CB GLU A 9 9.629 -11.679 -4.029 1.00 0.00 C ATOM 139 CG GLU A 9 10.032 -11.348 -5.473 1.00 0.00 C ATOM 140 CD GLU A 9 9.370 -12.286 -6.488 1.00 0.00 C ATOM 141 OE1 GLU A 9 8.180 -12.645 -6.344 1.00 0.00 O ATOM 142 OE2 GLU A 9 10.041 -12.728 -7.455 1.00 0.00 O ATOM 0 H GLU A 9 9.558 -9.473 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 9 7.648 -10.895 -4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.420 -11.352 -3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.544 -12.760 -3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.756 -10.318 -5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.115 -11.416 -5.571 1.00 0.00 H new ATOM 149 N THR A 10 7.820 -11.703 -1.310 1.00 0.00 N ATOM 150 CA THR A 10 7.295 -12.470 -0.200 1.00 0.00 C ATOM 151 C THR A 10 6.792 -11.418 0.772 1.00 0.00 C ATOM 152 O THR A 10 7.579 -10.637 1.314 1.00 0.00 O ATOM 153 CB THR A 10 8.405 -13.343 0.407 1.00 0.00 C ATOM 154 OG1 THR A 10 8.826 -14.323 -0.527 1.00 0.00 O ATOM 155 CG2 THR A 10 7.978 -14.065 1.687 1.00 0.00 C ATOM 0 H THR A 10 8.414 -10.934 -1.002 1.00 0.00 H new ATOM 0 HA THR A 10 6.501 -13.160 -0.483 1.00 0.00 H new ATOM 0 HB THR A 10 9.215 -12.658 0.657 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.534 -14.871 -0.129 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.809 -14.663 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.690 -13.331 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.130 -14.716 1.472 1.00 0.00 H new ATOM 163 N CYS A 11 5.472 -11.333 0.914 1.00 0.00 N ATOM 164 CA CYS A 11 4.787 -10.353 1.731 1.00 0.00 C ATOM 165 C CYS A 11 3.317 -10.775 1.872 1.00 0.00 C ATOM 166 O CYS A 11 2.490 -10.387 1.040 1.00 0.00 O ATOM 167 CB CYS A 11 4.913 -8.972 1.092 1.00 0.00 C ATOM 168 SG CYS A 11 4.192 -7.670 2.109 1.00 0.00 S ATOM 0 H CYS A 11 4.832 -11.972 0.443 1.00 0.00 H new ATOM 0 HA CYS A 11 5.234 -10.301 2.724 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.966 -8.751 0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.424 -8.980 0.118 1.00 0.00 H new ATOM 173 N PRO A 12 2.951 -11.545 2.909 1.00 0.00 N ATOM 174 CA PRO A 12 1.578 -12.006 3.103 1.00 0.00 C ATOM 175 C PRO A 12 0.616 -10.823 3.250 1.00 0.00 C ATOM 176 O PRO A 12 -0.450 -10.810 2.636 1.00 0.00 O ATOM 177 CB PRO A 12 1.613 -12.906 4.343 1.00 0.00 C ATOM 178 CG PRO A 12 2.881 -12.478 5.079 1.00 0.00 C ATOM 179 CD PRO A 12 3.819 -12.029 3.969 1.00 0.00 C ATOM 0 HA PRO A 12 1.206 -12.563 2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.727 -12.766 4.962 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.648 -13.960 4.069 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.680 -11.670 5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.307 -13.302 5.652 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.492 -11.245 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.442 -12.854 3.622 1.00 0.00 H new ATOM 187 N TYR A 13 1.008 -9.767 3.966 1.00 0.00 N ATOM 188 CA TYR A 13 0.122 -8.630 4.171 1.00 0.00 C ATOM 189 C TYR A 13 -0.002 -7.803 2.888 1.00 0.00 C ATOM 190 O TYR A 13 -1.081 -7.286 2.606 1.00 0.00 O ATOM 191 CB TYR A 13 0.645 -7.784 5.331 1.00 0.00 C ATOM 192 CG TYR A 13 0.644 -8.496 6.669 1.00 0.00 C ATOM 193 CD1 TYR A 13 -0.549 -8.619 7.405 1.00 0.00 C ATOM 194 CD2 TYR A 13 1.844 -9.017 7.189 1.00 0.00 C ATOM 195 CE1 TYR A 13 -0.528 -9.201 8.687 1.00 0.00 C ATOM 196 CE2 TYR A 13 1.864 -9.630 8.451 1.00 0.00 C ATOM 197 CZ TYR A 13 0.681 -9.708 9.215 1.00 0.00 C ATOM 198 OH TYR A 13 0.724 -10.233 10.468 1.00 0.00 O ATOM 0 H TYR A 13 1.923 -9.680 4.407 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.876 -8.989 4.423 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.662 -7.464 5.103 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.038 -6.883 5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.480 -8.267 6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.755 -8.944 6.613 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.437 -9.260 9.268 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.785 -10.042 8.837 1.00 0.00 H new ATOM 0 HH TYR A 13 1.635 -10.534 10.665 1.00 0.00 H new ATOM 208 N CYS A 14 1.042 -7.732 2.054 1.00 0.00 N ATOM 209 CA CYS A 14 0.926 -7.131 0.730 1.00 0.00 C ATOM 210 C CYS A 14 -0.071 -7.916 -0.096 1.00 0.00 C ATOM 211 O CYS A 14 -0.922 -7.310 -0.737 1.00 0.00 O ATOM 212 CB CYS A 14 2.236 -7.136 -0.049 1.00 0.00 C ATOM 213 SG CYS A 14 3.643 -6.327 0.716 1.00 0.00 S ATOM 0 H CYS A 14 1.973 -8.084 2.276 1.00 0.00 H new ATOM 0 HA CYS A 14 0.616 -6.099 0.895 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.508 -8.173 -0.247 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.057 -6.663 -1.015 1.00 0.00 H new ATOM 218 N HIS A 15 0.032 -9.248 -0.084 1.00 0.00 N ATOM 219 CA HIS A 15 -0.929 -10.092 -0.764 1.00 0.00 C ATOM 220 C HIS A 15 -2.340 -9.778 -0.272 1.00 0.00 C ATOM 221 O HIS A 15 -3.214 -9.574 -1.105 1.00 0.00 O ATOM 222 CB HIS A 15 -0.553 -11.576 -0.636 1.00 0.00 C ATOM 223 CG HIS A 15 -1.700 -12.464 -1.032 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.287 -12.508 -2.281 1.00 0.00 N ATOM 225 CD2 HIS A 15 -2.456 -13.206 -0.173 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.389 -13.276 -2.186 1.00 0.00 C ATOM 227 NE2 HIS A 15 -3.507 -13.711 -0.914 1.00 0.00 N ATOM 0 H HIS A 15 0.776 -9.757 0.393 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.910 -9.875 -1.832 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.311 -11.791 -1.266 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.260 -11.792 0.391 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.270 -13.367 0.879 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.067 -13.506 -2.995 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.250 -14.313 -0.558 1.00 0.00 H new ATOM 236 N ARG A 16 -2.579 -9.691 1.041 1.00 0.00 N ATOM 237 CA ARG A 16 -3.901 -9.368 1.579 1.00 0.00 C ATOM 238 C ARG A 16 -4.418 -8.044 1.015 1.00 0.00 C ATOM 239 O ARG A 16 -5.532 -7.996 0.499 1.00 0.00 O ATOM 240 CB ARG A 16 -3.892 -9.393 3.121 1.00 0.00 C ATOM 241 CG ARG A 16 -3.729 -10.837 3.635 1.00 0.00 C ATOM 242 CD ARG A 16 -3.483 -10.967 5.143 1.00 0.00 C ATOM 243 NE ARG A 16 -4.706 -10.779 5.947 1.00 0.00 N ATOM 244 CZ ARG A 16 -4.745 -10.362 7.219 1.00 0.00 C ATOM 245 NH1 ARG A 16 -3.617 -10.131 7.881 1.00 0.00 N ATOM 246 NH2 ARG A 16 -5.911 -10.156 7.817 1.00 0.00 N ATOM 0 H ARG A 16 -1.866 -9.842 1.755 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.601 -10.139 1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.078 -8.773 3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.820 -8.967 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.626 -11.401 3.379 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.898 -11.303 3.106 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.065 -11.951 5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.738 -10.232 5.448 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.597 -10.984 5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.718 -10.271 7.421 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.650 -9.813 8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.780 -10.315 7.308 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.938 -9.838 8.786 1.00 0.00 H new ATOM 260 N ALA A 17 -3.610 -6.986 1.064 1.00 0.00 N ATOM 261 CA ALA A 17 -3.983 -5.682 0.526 1.00 0.00 C ATOM 262 C ALA A 17 -4.254 -5.749 -0.979 1.00 0.00 C ATOM 263 O ALA A 17 -5.321 -5.324 -1.414 1.00 0.00 O ATOM 264 CB ALA A 17 -2.874 -4.672 0.837 1.00 0.00 C ATOM 0 H ALA A 17 -2.678 -7.010 1.478 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.910 -5.361 1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.148 -3.696 0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.742 -4.598 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.942 -5.003 0.379 1.00 0.00 H new ATOM 270 N LYS A 18 -3.314 -6.263 -1.781 1.00 0.00 N ATOM 271 CA LYS A 18 -3.469 -6.321 -3.235 1.00 0.00 C ATOM 272 C LYS A 18 -4.664 -7.184 -3.619 1.00 0.00 C ATOM 273 O LYS A 18 -5.383 -6.836 -4.553 1.00 0.00 O ATOM 274 CB LYS A 18 -2.176 -6.803 -3.934 1.00 0.00 C ATOM 275 CG LYS A 18 -1.037 -5.774 -3.808 1.00 0.00 C ATOM 276 CD LYS A 18 0.181 -6.015 -4.715 1.00 0.00 C ATOM 277 CE LYS A 18 1.075 -7.168 -4.234 1.00 0.00 C ATOM 278 NZ LYS A 18 2.430 -7.095 -4.829 1.00 0.00 N ATOM 0 H LYS A 18 -2.432 -6.647 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.659 -5.307 -3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.859 -7.750 -3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.381 -6.990 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.440 -4.785 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.698 -5.759 -2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.164 -6.229 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.774 -5.102 -4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.153 -7.139 -3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.613 -8.120 -4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.983 -7.925 -4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.353 -7.079 -5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.906 -6.229 -4.504 1.00 0.00 H new ATOM 292 N ALA A 19 -4.927 -8.264 -2.880 1.00 0.00 N ATOM 293 CA ALA A 19 -6.092 -9.097 -3.092 1.00 0.00 C ATOM 294 C ALA A 19 -7.351 -8.281 -2.840 1.00 0.00 C ATOM 295 O ALA A 19 -8.252 -8.303 -3.675 1.00 0.00 O ATOM 296 CB ALA A 19 -6.046 -10.332 -2.187 1.00 0.00 C ATOM 0 H ALA A 19 -4.329 -8.579 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.100 -9.446 -4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.930 -10.944 -2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.152 -10.914 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.023 -10.018 -1.144 1.00 0.00 H new ATOM 302 N LEU A 20 -7.421 -7.540 -1.729 1.00 0.00 N ATOM 303 CA LEU A 20 -8.602 -6.746 -1.401 1.00 0.00 C ATOM 304 C LEU A 20 -8.829 -5.723 -2.504 1.00 0.00 C ATOM 305 O LEU A 20 -9.931 -5.619 -3.028 1.00 0.00 O ATOM 306 CB LEU A 20 -8.460 -6.095 -0.013 1.00 0.00 C ATOM 307 CG LEU A 20 -9.723 -5.313 0.425 1.00 0.00 C ATOM 308 CD1 LEU A 20 -9.865 -5.358 1.947 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.693 -3.831 0.024 1.00 0.00 C ATOM 0 H LEU A 20 -6.670 -7.476 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.480 -7.390 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.246 -6.869 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.606 -5.418 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.557 -5.797 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.756 -4.805 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.954 -6.394 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.986 -4.907 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.608 -3.344 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.832 -3.347 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.618 -3.749 -1.060 1.00 0.00 H new ATOM 321 N LEU A 21 -7.791 -4.982 -2.888 1.00 0.00 N ATOM 322 CA LEU A 21 -7.923 -3.899 -3.849 1.00 0.00 C ATOM 323 C LEU A 21 -8.267 -4.432 -5.239 1.00 0.00 C ATOM 324 O LEU A 21 -9.124 -3.858 -5.912 1.00 0.00 O ATOM 325 CB LEU A 21 -6.640 -3.055 -3.838 1.00 0.00 C ATOM 326 CG LEU A 21 -6.426 -2.273 -2.523 1.00 0.00 C ATOM 327 CD1 LEU A 21 -5.118 -1.481 -2.599 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.564 -1.302 -2.185 1.00 0.00 C ATOM 0 H LEU A 21 -6.841 -5.118 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.754 -3.254 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.784 -3.708 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.671 -2.350 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.396 -3.022 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.971 -0.931 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.285 -2.168 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.165 -0.780 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.340 -0.791 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.665 -0.567 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.497 -1.856 -2.082 1.00 0.00 H new ATOM 340 N SER A 22 -7.674 -5.548 -5.666 1.00 0.00 N ATOM 341 CA SER A 22 -8.043 -6.166 -6.930 1.00 0.00 C ATOM 342 C SER A 22 -9.465 -6.733 -6.849 1.00 0.00 C ATOM 343 O SER A 22 -10.195 -6.663 -7.835 1.00 0.00 O ATOM 344 CB SER A 22 -6.998 -7.218 -7.323 1.00 0.00 C ATOM 345 OG SER A 22 -7.193 -7.681 -8.650 1.00 0.00 O ATOM 0 H SER A 22 -6.940 -6.037 -5.154 1.00 0.00 H new ATOM 0 HA SER A 22 -8.052 -5.416 -7.721 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.999 -6.792 -7.229 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.051 -8.060 -6.632 1.00 0.00 H new ATOM 0 HG SER A 22 -6.509 -8.349 -8.867 1.00 0.00 H new ATOM 351 N SER A 23 -9.906 -7.240 -5.695 1.00 0.00 N ATOM 352 CA SER A 23 -11.277 -7.711 -5.507 1.00 0.00 C ATOM 353 C SER A 23 -12.278 -6.551 -5.504 1.00 0.00 C ATOM 354 O SER A 23 -13.431 -6.732 -5.889 1.00 0.00 O ATOM 355 CB SER A 23 -11.392 -8.494 -4.199 1.00 0.00 C ATOM 356 OG SER A 23 -10.500 -9.595 -4.173 1.00 0.00 O ATOM 0 H SER A 23 -9.321 -7.335 -4.865 1.00 0.00 H new ATOM 0 HA SER A 23 -11.518 -8.364 -6.346 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.181 -7.833 -3.358 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.415 -8.850 -4.075 1.00 0.00 H new ATOM 0 HG SER A 23 -9.652 -9.320 -3.766 1.00 0.00 H new ATOM 362 N LYS A 24 -11.859 -5.348 -5.100 1.00 0.00 N ATOM 363 CA LYS A 24 -12.651 -4.134 -5.192 1.00 0.00 C ATOM 364 C LYS A 24 -12.583 -3.553 -6.610 1.00 0.00 C ATOM 365 O LYS A 24 -13.377 -2.670 -6.928 1.00 0.00 O ATOM 366 CB LYS A 24 -12.149 -3.150 -4.125 1.00 0.00 C ATOM 367 CG LYS A 24 -12.460 -3.560 -2.674 1.00 0.00 C ATOM 368 CD LYS A 24 -13.933 -3.394 -2.280 1.00 0.00 C ATOM 369 CE LYS A 24 -14.118 -3.742 -0.797 1.00 0.00 C ATOM 370 NZ LYS A 24 -14.184 -5.196 -0.544 1.00 0.00 N ATOM 0 H LYS A 24 -10.937 -5.196 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.703 -4.345 -5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.070 -3.037 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.592 -2.172 -4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.172 -4.602 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.845 -2.964 -1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.255 -2.369 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.558 -4.041 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.293 -3.317 -0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.033 -3.274 -0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.309 -5.366 0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.987 -5.603 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.302 -5.644 -0.864 1.00 0.00 H new ATOM 384 N GLY A 25 -11.683 -4.037 -7.473 1.00 0.00 N ATOM 385 CA GLY A 25 -11.632 -3.709 -8.889 1.00 0.00 C ATOM 386 C GLY A 25 -11.145 -2.286 -9.095 1.00 0.00 C ATOM 387 O GLY A 25 -11.748 -1.528 -9.858 1.00 0.00 O ATOM 0 H GLY A 25 -10.950 -4.687 -7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.968 -4.404 -9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.622 -3.827 -9.330 1.00 0.00 H new ATOM 391 N VAL A 26 -10.107 -1.895 -8.358 1.00 0.00 N ATOM 392 CA VAL A 26 -9.660 -0.500 -8.299 1.00 0.00 C ATOM 393 C VAL A 26 -8.464 -0.238 -9.225 1.00 0.00 C ATOM 394 O VAL A 26 -7.853 -1.157 -9.780 1.00 0.00 O ATOM 395 CB VAL A 26 -9.423 -0.090 -6.830 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.610 -0.508 -5.945 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.103 -0.634 -6.275 1.00 0.00 C ATOM 0 H VAL A 26 -9.552 -2.532 -7.786 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.448 0.146 -8.686 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.346 0.997 -6.813 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.419 -0.208 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.518 -0.023 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.735 -1.590 -5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.986 -0.317 -5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.110 -1.723 -6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.273 -0.250 -6.868 1.00 0.00 H new ATOM 407 N SER A 27 -8.133 1.033 -9.411 1.00 0.00 N ATOM 408 CA SER A 27 -6.929 1.535 -10.051 1.00 0.00 C ATOM 409 C SER A 27 -5.894 1.676 -8.938 1.00 0.00 C ATOM 410 O SER A 27 -6.200 2.249 -7.898 1.00 0.00 O ATOM 411 CB SER A 27 -7.222 2.897 -10.710 1.00 0.00 C ATOM 412 OG SER A 27 -8.300 3.595 -10.097 1.00 0.00 O ATOM 0 H SER A 27 -8.741 1.789 -9.097 1.00 0.00 H new ATOM 0 HA SER A 27 -6.569 0.869 -10.835 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.325 3.515 -10.666 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.451 2.742 -11.764 1.00 0.00 H new ATOM 0 HG SER A 27 -8.438 4.450 -10.555 1.00 0.00 H new ATOM 418 N PHE A 28 -4.696 1.123 -9.092 1.00 0.00 N ATOM 419 CA PHE A 28 -3.631 1.305 -8.112 1.00 0.00 C ATOM 420 C PHE A 28 -2.274 1.118 -8.795 1.00 0.00 C ATOM 421 O PHE A 28 -2.183 0.526 -9.873 1.00 0.00 O ATOM 422 CB PHE A 28 -3.828 0.345 -6.928 1.00 0.00 C ATOM 423 CG PHE A 28 -3.602 -1.123 -7.249 1.00 0.00 C ATOM 424 CD1 PHE A 28 -2.302 -1.668 -7.262 1.00 0.00 C ATOM 425 CD2 PHE A 28 -4.699 -1.948 -7.565 1.00 0.00 C ATOM 426 CE1 PHE A 28 -2.104 -3.018 -7.604 1.00 0.00 C ATOM 427 CE2 PHE A 28 -4.504 -3.303 -7.879 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.205 -3.840 -7.903 1.00 0.00 C ATOM 0 H PHE A 28 -4.437 0.542 -9.890 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.664 2.317 -7.708 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.148 0.635 -6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.842 0.466 -6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.455 -1.047 -7.009 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.697 -1.536 -7.566 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.104 -3.424 -7.637 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.353 -3.933 -8.102 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.053 -4.880 -8.150 1.00 0.00 H new ATOM 438 N GLN A 29 -1.213 1.558 -8.127 1.00 0.00 N ATOM 439 CA GLN A 29 0.181 1.441 -8.543 1.00 0.00 C ATOM 440 C GLN A 29 0.853 0.492 -7.569 1.00 0.00 C ATOM 441 O GLN A 29 0.626 0.589 -6.364 1.00 0.00 O ATOM 442 CB GLN A 29 0.829 2.837 -8.545 1.00 0.00 C ATOM 443 CG GLN A 29 2.355 2.930 -8.391 1.00 0.00 C ATOM 444 CD GLN A 29 3.139 2.515 -9.632 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.794 1.561 -10.329 1.00 0.00 O ATOM 446 NE2 GLN A 29 4.215 3.225 -9.933 1.00 0.00 N ATOM 0 H GLN A 29 -1.308 2.033 -7.229 1.00 0.00 H new ATOM 0 HA GLN A 29 0.280 1.046 -9.554 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.558 3.328 -9.480 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.377 3.415 -7.739 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.620 3.956 -8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.663 2.302 -7.555 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.487 4.013 -9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.772 2.984 -10.753 1.00 0.00 H new ATOM 455 N GLU A 30 1.706 -0.389 -8.074 1.00 0.00 N ATOM 456 CA GLU A 30 2.547 -1.245 -7.245 1.00 0.00 C ATOM 457 C GLU A 30 3.962 -0.686 -7.309 1.00 0.00 C ATOM 458 O GLU A 30 4.378 -0.174 -8.351 1.00 0.00 O ATOM 459 CB GLU A 30 2.480 -2.712 -7.710 1.00 0.00 C ATOM 460 CG GLU A 30 3.351 -2.991 -8.945 1.00 0.00 C ATOM 461 CD GLU A 30 3.094 -4.369 -9.537 1.00 0.00 C ATOM 462 OE1 GLU A 30 2.199 -4.492 -10.403 1.00 0.00 O ATOM 463 OE2 GLU A 30 3.798 -5.337 -9.168 1.00 0.00 O ATOM 0 H GLU A 30 1.835 -0.531 -9.076 1.00 0.00 H new ATOM 0 HA GLU A 30 2.197 -1.247 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.798 -3.361 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.445 -2.969 -7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.157 -2.231 -9.702 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.403 -2.907 -8.671 1.00 0.00 H new ATOM 470 N LEU A 31 4.721 -0.809 -6.225 1.00 0.00 N ATOM 471 CA LEU A 31 6.104 -0.359 -6.162 1.00 0.00 C ATOM 472 C LEU A 31 6.923 -1.485 -5.548 1.00 0.00 C ATOM 473 O LEU A 31 6.565 -1.959 -4.467 1.00 0.00 O ATOM 474 CB LEU A 31 6.218 0.926 -5.342 1.00 0.00 C ATOM 475 CG LEU A 31 5.486 2.086 -6.043 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.272 2.519 -5.243 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.426 3.256 -6.288 1.00 0.00 C ATOM 0 H LEU A 31 4.388 -1.229 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 31 6.479 -0.127 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.795 0.769 -4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.268 1.183 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 31 5.140 1.730 -7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.771 3.339 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.584 1.679 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.587 2.850 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.884 4.061 -6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.817 3.615 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.253 2.932 -6.920 1.00 0.00 H new ATOM 489 N PRO A 32 7.989 -1.958 -6.200 1.00 0.00 N ATOM 490 CA PRO A 32 8.864 -2.933 -5.594 1.00 0.00 C ATOM 491 C PRO A 32 9.773 -2.246 -4.588 1.00 0.00 C ATOM 492 O PRO A 32 10.356 -1.193 -4.856 1.00 0.00 O ATOM 493 CB PRO A 32 9.663 -3.517 -6.744 1.00 0.00 C ATOM 494 CG PRO A 32 9.737 -2.384 -7.772 1.00 0.00 C ATOM 495 CD PRO A 32 8.480 -1.554 -7.507 1.00 0.00 C ATOM 0 HA PRO A 32 8.322 -3.710 -5.054 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.657 -3.825 -6.421 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.175 -4.399 -7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.641 -1.789 -7.644 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.751 -2.771 -8.791 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.708 -0.488 -7.524 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.728 -1.731 -8.276 1.00 0.00 H new ATOM 503 N ILE A 33 9.972 -2.888 -3.447 1.00 0.00 N ATOM 504 CA ILE A 33 10.981 -2.494 -2.468 1.00 0.00 C ATOM 505 C ILE A 33 11.974 -3.624 -2.207 1.00 0.00 C ATOM 506 O ILE A 33 12.813 -3.496 -1.324 1.00 0.00 O ATOM 507 CB ILE A 33 10.341 -1.898 -1.218 1.00 0.00 C ATOM 508 CG1 ILE A 33 9.417 -2.859 -0.454 1.00 0.00 C ATOM 509 CG2 ILE A 33 9.595 -0.618 -1.635 1.00 0.00 C ATOM 510 CD1 ILE A 33 10.174 -3.939 0.334 1.00 0.00 C ATOM 0 H ILE A 33 9.432 -3.708 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 33 11.582 -1.686 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 33 11.138 -1.677 -0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.798 -2.284 0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.743 -3.342 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.126 -0.169 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.301 0.089 -2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.829 -0.866 -2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.460 -4.582 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.772 -4.538 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.828 -3.464 1.066 1.00 0.00 H new ATOM 522 N ASP A 34 11.871 -4.717 -2.972 1.00 0.00 N ATOM 523 CA ASP A 34 12.569 -5.983 -2.784 1.00 0.00 C ATOM 524 C ASP A 34 14.071 -5.829 -3.047 1.00 0.00 C ATOM 525 O ASP A 34 14.601 -6.215 -4.092 1.00 0.00 O ATOM 526 CB ASP A 34 11.913 -7.058 -3.663 1.00 0.00 C ATOM 527 CG ASP A 34 12.206 -8.447 -3.107 1.00 0.00 C ATOM 528 OD1 ASP A 34 13.364 -8.909 -3.187 1.00 0.00 O ATOM 529 OD2 ASP A 34 11.273 -9.044 -2.534 1.00 0.00 O ATOM 0 H ASP A 34 11.259 -4.737 -3.788 1.00 0.00 H new ATOM 0 HA ASP A 34 12.481 -6.303 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.836 -6.895 -3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.287 -6.981 -4.684 1.00 0.00 H new ATOM 534 N GLY A 35 14.760 -5.190 -2.107 1.00 0.00 N ATOM 535 CA GLY A 35 16.188 -4.964 -2.101 1.00 0.00 C ATOM 536 C GLY A 35 16.680 -3.961 -3.141 1.00 0.00 C ATOM 537 O GLY A 35 17.896 -3.871 -3.314 1.00 0.00 O ATOM 0 H GLY A 35 14.303 -4.796 -1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.483 -4.614 -1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.693 -5.916 -2.266 1.00 0.00 H new ATOM 541 N ASN A 36 15.812 -3.196 -3.822 1.00 0.00 N ATOM 542 CA ASN A 36 16.261 -2.260 -4.864 1.00 0.00 C ATOM 543 C ASN A 36 16.618 -1.109 -3.917 1.00 0.00 C ATOM 544 O ASN A 36 15.693 -0.469 -3.392 1.00 0.00 O ATOM 545 CB ASN A 36 15.165 -1.649 -5.774 1.00 0.00 C ATOM 546 CG ASN A 36 13.796 -2.283 -5.695 1.00 0.00 C ATOM 547 OD1 ASN A 36 13.312 -3.011 -6.556 1.00 0.00 O ATOM 548 ND2 ASN A 36 13.152 -1.908 -4.599 1.00 0.00 N ATOM 0 H ASN A 36 14.803 -3.207 -3.671 1.00 0.00 H new ATOM 0 HA ASN A 36 16.976 -2.727 -5.542 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.067 -0.592 -5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.508 -1.705 -6.807 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.197 -2.227 -4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.611 -1.300 -3.920 1.00 0.00 H new ATOM 555 N ALA A 37 17.895 -0.877 -3.622 1.00 0.00 N ATOM 556 CA ALA A 37 18.283 0.030 -2.546 1.00 0.00 C ATOM 557 C ALA A 37 17.702 1.443 -2.672 1.00 0.00 C ATOM 558 O ALA A 37 17.335 2.021 -1.652 1.00 0.00 O ATOM 559 CB ALA A 37 19.801 0.037 -2.381 1.00 0.00 C ATOM 0 H ALA A 37 18.679 -1.305 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 37 17.835 -0.362 -1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 37 20.076 0.718 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.145 -0.969 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.266 0.367 -3.310 1.00 0.00 H new ATOM 565 N ALA A 38 17.528 1.974 -3.885 1.00 0.00 N ATOM 566 CA ALA A 38 16.962 3.298 -4.109 1.00 0.00 C ATOM 567 C ALA A 38 15.547 3.368 -3.547 1.00 0.00 C ATOM 568 O ALA A 38 15.247 4.216 -2.709 1.00 0.00 O ATOM 569 CB ALA A 38 16.969 3.629 -5.604 1.00 0.00 C ATOM 0 H ALA A 38 17.780 1.488 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 38 17.574 4.036 -3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.544 4.621 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.993 3.611 -5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 38 16.375 2.891 -6.143 1.00 0.00 H new ATOM 575 N LYS A 39 14.675 2.451 -3.976 1.00 0.00 N ATOM 576 CA LYS A 39 13.293 2.432 -3.516 1.00 0.00 C ATOM 577 C LYS A 39 13.193 1.967 -2.065 1.00 0.00 C ATOM 578 O LYS A 39 12.245 2.345 -1.379 1.00 0.00 O ATOM 579 CB LYS A 39 12.432 1.584 -4.456 1.00 0.00 C ATOM 580 CG LYS A 39 12.127 2.310 -5.783 1.00 0.00 C ATOM 581 CD LYS A 39 10.650 2.243 -6.188 1.00 0.00 C ATOM 582 CE LYS A 39 9.768 3.136 -5.302 1.00 0.00 C ATOM 583 NZ LYS A 39 9.773 4.560 -5.724 1.00 0.00 N ATOM 0 H LYS A 39 14.907 1.714 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 39 12.906 3.451 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.944 0.645 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.496 1.331 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.425 3.355 -5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.734 1.872 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.545 2.549 -7.229 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.303 1.212 -6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.745 2.761 -5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.112 3.068 -4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.855 4.992 -5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.528 5.068 -5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.939 4.618 -6.749 1.00 0.00 H new ATOM 597 N ARG A 40 14.157 1.180 -1.586 1.00 0.00 N ATOM 598 CA ARG A 40 14.270 0.783 -0.188 1.00 0.00 C ATOM 599 C ARG A 40 14.469 2.037 0.662 1.00 0.00 C ATOM 600 O ARG A 40 13.759 2.238 1.643 1.00 0.00 O ATOM 601 CB ARG A 40 15.434 -0.213 -0.037 1.00 0.00 C ATOM 602 CG ARG A 40 15.244 -1.219 1.101 1.00 0.00 C ATOM 603 CD ARG A 40 16.545 -1.993 1.354 1.00 0.00 C ATOM 604 NE ARG A 40 17.563 -1.173 2.031 1.00 0.00 N ATOM 605 CZ ARG A 40 18.835 -1.525 2.252 1.00 0.00 C ATOM 606 NH1 ARG A 40 19.358 -2.613 1.700 1.00 0.00 N ATOM 607 NH2 ARG A 40 19.591 -0.789 3.056 1.00 0.00 N ATOM 0 H ARG A 40 14.895 0.794 -2.174 1.00 0.00 H new ATOM 0 HA ARG A 40 13.364 0.283 0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.558 -0.757 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.356 0.343 0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.941 -0.698 2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.443 -1.914 0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.329 -2.873 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.943 -2.350 0.404 1.00 0.00 H new ATOM 0 HE ARG A 40 17.272 -0.253 2.362 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.788 -3.201 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 40 20.330 -2.861 1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 40 19.202 0.041 3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 40 20.561 -1.053 3.227 1.00 0.00 H new ATOM 621 N GLU A 41 15.426 2.893 0.306 1.00 0.00 N ATOM 622 CA GLU A 41 15.711 4.143 0.963 1.00 0.00 C ATOM 623 C GLU A 41 14.558 5.137 0.804 1.00 0.00 C ATOM 624 O GLU A 41 14.189 5.829 1.754 1.00 0.00 O ATOM 625 CB GLU A 41 16.997 4.686 0.332 1.00 0.00 C ATOM 626 CG GLU A 41 17.712 5.608 1.305 1.00 0.00 C ATOM 627 CD GLU A 41 18.100 6.923 0.643 1.00 0.00 C ATOM 628 OE1 GLU A 41 19.169 6.979 -0.006 1.00 0.00 O ATOM 629 OE2 GLU A 41 17.316 7.898 0.715 1.00 0.00 O ATOM 0 H GLU A 41 16.045 2.715 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 41 15.834 3.993 2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.652 3.860 0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.761 5.226 -0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.067 5.806 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 41 18.605 5.114 1.687 1.00 0.00 H new ATOM 636 N GLU A 42 13.967 5.212 -0.388 1.00 0.00 N ATOM 637 CA GLU A 42 12.850 6.098 -0.673 1.00 0.00 C ATOM 638 C GLU A 42 11.634 5.725 0.167 1.00 0.00 C ATOM 639 O GLU A 42 10.896 6.607 0.594 1.00 0.00 O ATOM 640 CB GLU A 42 12.523 6.063 -2.165 1.00 0.00 C ATOM 641 CG GLU A 42 11.353 6.986 -2.517 1.00 0.00 C ATOM 642 CD GLU A 42 11.423 7.432 -3.971 1.00 0.00 C ATOM 643 OE1 GLU A 42 11.476 6.577 -4.886 1.00 0.00 O ATOM 644 OE2 GLU A 42 11.472 8.663 -4.202 1.00 0.00 O ATOM 0 H GLU A 42 14.257 4.651 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 42 13.133 7.116 -0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.403 6.359 -2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.281 5.042 -2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.411 6.468 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.366 7.859 -1.865 1.00 0.00 H new ATOM 651 N MET A 43 11.433 4.441 0.466 1.00 0.00 N ATOM 652 CA MET A 43 10.355 4.024 1.327 1.00 0.00 C ATOM 653 C MET A 43 10.517 4.568 2.743 1.00 0.00 C ATOM 654 O MET A 43 9.512 4.822 3.410 1.00 0.00 O ATOM 655 CB MET A 43 10.220 2.503 1.301 1.00 0.00 C ATOM 656 CG MET A 43 9.043 2.016 2.150 1.00 0.00 C ATOM 657 SD MET A 43 8.611 0.273 1.948 1.00 0.00 S ATOM 658 CE MET A 43 10.256 -0.479 1.834 1.00 0.00 C ATOM 0 H MET A 43 12.012 3.678 0.117 1.00 0.00 H new ATOM 0 HA MET A 43 9.426 4.449 0.946 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.087 2.169 0.272 1.00 0.00 H new ATOM 0 HB3 MET A 43 11.142 2.051 1.667 1.00 0.00 H new ATOM 0 HG2 MET A 43 9.275 2.196 3.200 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.168 2.620 1.909 1.00 0.00 H new ATOM 0 HE1 MET A 43 10.163 -1.565 1.868 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.727 -0.184 0.896 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.869 -0.141 2.670 1.00 0.00 H new ATOM 668 N ILE A 44 11.743 4.847 3.175 1.00 0.00 N ATOM 669 CA ILE A 44 11.987 5.584 4.411 1.00 0.00 C ATOM 670 C ILE A 44 11.470 7.004 4.165 1.00 0.00 C ATOM 671 O ILE A 44 10.602 7.478 4.890 1.00 0.00 O ATOM 672 CB ILE A 44 13.473 5.617 4.846 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.255 4.298 4.654 1.00 0.00 C ATOM 674 CG2 ILE A 44 13.505 6.041 6.323 1.00 0.00 C ATOM 675 CD1 ILE A 44 15.770 4.485 4.781 1.00 0.00 C ATOM 0 H ILE A 44 12.592 4.570 2.681 1.00 0.00 H new ATOM 0 HA ILE A 44 11.474 5.083 5.232 1.00 0.00 H new ATOM 0 HB ILE A 44 13.983 6.323 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.920 3.571 5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.025 3.884 3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.538 6.077 6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.053 7.027 6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.947 5.320 6.921 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.268 3.526 4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.114 5.190 4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.007 4.872 5.772 1.00 0.00 H new ATOM 687 N LYS A 45 11.934 7.642 3.087 1.00 0.00 N ATOM 688 CA LYS A 45 11.577 8.994 2.653 1.00 0.00 C ATOM 689 C LYS A 45 10.098 9.179 2.283 1.00 0.00 C ATOM 690 O LYS A 45 9.728 10.255 1.810 1.00 0.00 O ATOM 691 CB LYS A 45 12.505 9.416 1.485 1.00 0.00 C ATOM 692 CG LYS A 45 13.214 10.771 1.676 1.00 0.00 C ATOM 693 CD LYS A 45 12.292 11.992 1.800 1.00 0.00 C ATOM 694 CE LYS A 45 11.513 12.273 0.509 1.00 0.00 C ATOM 695 NZ LYS A 45 10.437 13.259 0.726 1.00 0.00 N ATOM 0 H LYS A 45 12.607 7.203 2.459 1.00 0.00 H new ATOM 0 HA LYS A 45 11.726 9.648 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.261 8.644 1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.916 9.457 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.833 10.714 2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.887 10.930 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.589 11.831 2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.887 12.868 2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.196 12.642 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.085 11.344 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.932 13.424 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.771 12.896 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.848 14.153 1.062 1.00 0.00 H new ATOM 709 N ARG A 46 9.217 8.201 2.495 1.00 0.00 N ATOM 710 CA ARG A 46 7.805 8.315 2.156 1.00 0.00 C ATOM 711 C ARG A 46 6.900 7.625 3.168 1.00 0.00 C ATOM 712 O ARG A 46 5.774 8.092 3.332 1.00 0.00 O ATOM 713 CB ARG A 46 7.565 7.817 0.712 1.00 0.00 C ATOM 714 CG ARG A 46 6.921 8.898 -0.174 1.00 0.00 C ATOM 715 CD ARG A 46 6.780 8.437 -1.634 1.00 0.00 C ATOM 716 NE ARG A 46 5.806 9.268 -2.356 1.00 0.00 N ATOM 717 CZ ARG A 46 5.137 8.927 -3.465 1.00 0.00 C ATOM 718 NH1 ARG A 46 5.599 8.010 -4.307 1.00 0.00 N ATOM 719 NH2 ARG A 46 3.975 9.512 -3.714 1.00 0.00 N ATOM 0 H ARG A 46 9.468 7.303 2.909 1.00 0.00 H new ATOM 0 HA ARG A 46 7.533 9.370 2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.514 7.507 0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.922 6.937 0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.938 9.153 0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.525 9.805 -0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.749 8.490 -2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.465 7.394 -1.661 1.00 0.00 H new ATOM 0 HE ARG A 46 5.621 10.196 -1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.486 7.544 -4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.067 7.771 -5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.605 10.208 -3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.450 9.266 -4.553 1.00 0.00 H new ATOM 733 N SER A 47 7.346 6.572 3.859 1.00 0.00 N ATOM 734 CA SER A 47 6.550 5.906 4.889 1.00 0.00 C ATOM 735 C SER A 47 7.170 6.015 6.284 1.00 0.00 C ATOM 736 O SER A 47 6.476 5.779 7.278 1.00 0.00 O ATOM 737 CB SER A 47 6.354 4.429 4.516 1.00 0.00 C ATOM 738 OG SER A 47 7.538 3.661 4.657 1.00 0.00 O ATOM 0 H SER A 47 8.268 6.159 3.719 1.00 0.00 H new ATOM 0 HA SER A 47 5.587 6.415 4.931 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.573 4.002 5.145 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.005 4.363 3.485 1.00 0.00 H new ATOM 0 HG SER A 47 8.307 4.188 4.355 1.00 0.00 H new ATOM 744 N GLY A 48 8.484 6.257 6.364 1.00 0.00 N ATOM 745 CA GLY A 48 9.300 6.172 7.567 1.00 0.00 C ATOM 746 C GLY A 48 9.439 4.745 8.111 1.00 0.00 C ATOM 747 O GLY A 48 10.240 4.516 9.015 1.00 0.00 O ATOM 0 H GLY A 48 9.028 6.531 5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.292 6.569 7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.863 6.806 8.339 1.00 0.00 H new ATOM 751 N ARG A 49 8.674 3.783 7.583 1.00 0.00 N ATOM 752 CA ARG A 49 8.551 2.444 8.152 1.00 0.00 C ATOM 753 C ARG A 49 9.573 1.496 7.559 1.00 0.00 C ATOM 754 O ARG A 49 10.292 0.854 8.318 1.00 0.00 O ATOM 755 CB ARG A 49 7.135 1.884 7.970 1.00 0.00 C ATOM 756 CG ARG A 49 6.219 2.205 9.150 1.00 0.00 C ATOM 757 CD ARG A 49 4.951 1.343 9.111 1.00 0.00 C ATOM 758 NE ARG A 49 4.210 1.451 10.375 1.00 0.00 N ATOM 759 CZ ARG A 49 2.914 1.192 10.573 1.00 0.00 C ATOM 760 NH1 ARG A 49 2.146 0.727 9.594 1.00 0.00 N ATOM 761 NH2 ARG A 49 2.393 1.406 11.773 1.00 0.00 N ATOM 0 H ARG A 49 8.118 3.918 6.739 1.00 0.00 H new ATOM 0 HA ARG A 49 8.746 2.532 9.221 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.702 2.292 7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.190 0.803 7.841 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.751 2.033 10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.947 3.260 9.127 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.316 1.659 8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.218 0.302 8.928 1.00 0.00 H new ATOM 0 HE ARG A 49 4.742 1.757 11.190 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.543 0.561 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.159 0.536 9.767 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.979 1.763 12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.406 1.214 11.942 1.00 0.00 H new ATOM 775 N THR A 50 9.591 1.352 6.232 1.00 0.00 N ATOM 776 CA THR A 50 10.568 0.550 5.485 1.00 0.00 C ATOM 777 C THR A 50 10.201 -0.956 5.500 1.00 0.00 C ATOM 778 O THR A 50 10.845 -1.795 4.865 1.00 0.00 O ATOM 779 CB THR A 50 12.013 0.892 5.935 1.00 0.00 C ATOM 780 OG1 THR A 50 12.109 2.238 6.381 1.00 0.00 O ATOM 781 CG2 THR A 50 13.003 0.773 4.778 1.00 0.00 C ATOM 0 H THR A 50 8.905 1.804 5.627 1.00 0.00 H new ATOM 0 HA THR A 50 10.530 0.818 4.429 1.00 0.00 H new ATOM 0 HB THR A 50 12.247 0.187 6.732 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.905 2.340 6.943 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.005 1.020 5.130 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.994 -0.247 4.395 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.718 1.462 3.983 1.00 0.00 H new ATOM 789 N THR A 51 9.113 -1.282 6.191 1.00 0.00 N ATOM 790 CA THR A 51 8.351 -2.524 6.256 1.00 0.00 C ATOM 791 C THR A 51 7.436 -2.596 5.041 1.00 0.00 C ATOM 792 O THR A 51 7.428 -1.683 4.211 1.00 0.00 O ATOM 793 CB THR A 51 7.555 -2.522 7.577 1.00 0.00 C ATOM 794 OG1 THR A 51 6.526 -1.558 7.575 1.00 0.00 O ATOM 795 CG2 THR A 51 8.427 -2.199 8.788 1.00 0.00 C ATOM 0 H THR A 51 8.688 -0.584 6.802 1.00 0.00 H new ATOM 0 HA THR A 51 8.998 -3.401 6.241 1.00 0.00 H new ATOM 0 HB THR A 51 7.151 -3.532 7.650 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.948 -1.695 8.354 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.816 -2.211 9.690 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.218 -2.944 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.871 -1.211 8.664 1.00 0.00 H new ATOM 803 N VAL A 52 6.700 -3.687 4.889 1.00 0.00 N ATOM 804 CA VAL A 52 5.641 -3.734 3.883 1.00 0.00 C ATOM 805 C VAL A 52 4.356 -4.385 4.412 1.00 0.00 C ATOM 806 O VAL A 52 4.420 -5.203 5.334 1.00 0.00 O ATOM 807 CB VAL A 52 6.143 -4.496 2.654 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.943 -3.593 1.721 1.00 0.00 C ATOM 809 CG2 VAL A 52 6.888 -5.775 3.032 1.00 0.00 C ATOM 0 H VAL A 52 6.810 -4.540 5.437 1.00 0.00 H new ATOM 0 HA VAL A 52 5.393 -2.707 3.617 1.00 0.00 H new ATOM 0 HB VAL A 52 5.267 -4.820 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.283 -4.169 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.313 -2.771 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.806 -3.193 2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.225 -6.281 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.750 -5.525 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.221 -6.433 3.589 1.00 0.00 H new ATOM 819 N PRO A 53 3.197 -4.129 3.782 1.00 0.00 N ATOM 820 CA PRO A 53 3.001 -3.137 2.734 1.00 0.00 C ATOM 821 C PRO A 53 3.010 -1.718 3.301 1.00 0.00 C ATOM 822 O PRO A 53 2.921 -1.503 4.513 1.00 0.00 O ATOM 823 CB PRO A 53 1.632 -3.464 2.123 1.00 0.00 C ATOM 824 CG PRO A 53 0.864 -4.060 3.300 1.00 0.00 C ATOM 825 CD PRO A 53 1.949 -4.811 4.069 1.00 0.00 C ATOM 0 HA PRO A 53 3.802 -3.174 1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.142 -2.573 1.731 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.717 -4.170 1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.397 -3.287 3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.069 -4.727 2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.741 -4.807 5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.995 -5.854 3.757 1.00 0.00 H new ATOM 833 N GLN A 54 3.111 -0.754 2.393 1.00 0.00 N ATOM 834 CA GLN A 54 2.896 0.654 2.662 1.00 0.00 C ATOM 835 C GLN A 54 1.867 1.021 1.622 1.00 0.00 C ATOM 836 O GLN A 54 2.216 1.127 0.447 1.00 0.00 O ATOM 837 CB GLN A 54 4.151 1.532 2.517 1.00 0.00 C ATOM 838 CG GLN A 54 5.385 1.078 3.284 1.00 0.00 C ATOM 839 CD GLN A 54 5.192 1.052 4.791 1.00 0.00 C ATOM 840 OE1 GLN A 54 4.358 1.752 5.365 1.00 0.00 O ATOM 841 NE2 GLN A 54 6.007 0.258 5.442 1.00 0.00 N ATOM 0 H GLN A 54 3.353 -0.942 1.420 1.00 0.00 H new ATOM 0 HA GLN A 54 2.595 0.822 3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.408 1.589 1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.900 2.543 2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.666 0.081 2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.216 1.742 3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.685 -0.307 4.931 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.963 0.205 6.460 1.00 0.00 H new ATOM 850 N ILE A 55 0.602 1.096 2.015 1.00 0.00 N ATOM 851 CA ILE A 55 -0.412 1.640 1.135 1.00 0.00 C ATOM 852 C ILE A 55 -0.421 3.149 1.366 1.00 0.00 C ATOM 853 O ILE A 55 -0.204 3.630 2.487 1.00 0.00 O ATOM 854 CB ILE A 55 -1.794 0.992 1.339 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.756 -0.547 1.503 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.683 1.297 0.123 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.442 -1.056 2.908 1.00 0.00 C ATOM 0 H ILE A 55 0.261 0.790 2.926 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.175 1.416 0.095 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.183 1.416 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.722 -0.950 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.011 -0.949 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.662 0.840 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.798 2.376 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.220 0.892 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.441 -2.146 2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.462 -0.692 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.199 -0.694 3.604 1.00 0.00 H new ATOM 869 N PHE A 56 -0.701 3.886 0.304 1.00 0.00 N ATOM 870 CA PHE A 56 -0.856 5.317 0.250 1.00 0.00 C ATOM 871 C PHE A 56 -2.075 5.614 -0.627 1.00 0.00 C ATOM 872 O PHE A 56 -2.340 4.838 -1.547 1.00 0.00 O ATOM 873 CB PHE A 56 0.364 5.887 -0.445 1.00 0.00 C ATOM 874 CG PHE A 56 1.657 5.865 0.334 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.452 4.705 0.375 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.102 7.037 0.961 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.683 4.727 1.052 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.329 7.059 1.635 1.00 0.00 C ATOM 879 CZ PHE A 56 4.114 5.897 1.694 1.00 0.00 C ATOM 0 H PHE A 56 -0.835 3.458 -0.612 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.973 5.742 1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.516 5.336 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.149 6.920 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.117 3.801 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.494 7.929 0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.299 3.840 1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.671 7.968 2.108 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.050 5.904 2.234 1.00 0.00 H new ATOM 889 N ILE A 57 -2.788 6.721 -0.398 1.00 0.00 N ATOM 890 CA ILE A 57 -3.919 7.148 -1.224 1.00 0.00 C ATOM 891 C ILE A 57 -3.769 8.656 -1.463 1.00 0.00 C ATOM 892 O ILE A 57 -3.922 9.442 -0.537 1.00 0.00 O ATOM 893 CB ILE A 57 -5.238 6.763 -0.510 1.00 0.00 C ATOM 894 CG1 ILE A 57 -5.336 5.234 -0.266 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.472 7.240 -1.293 1.00 0.00 C ATOM 896 CD1 ILE A 57 -6.589 4.788 0.487 1.00 0.00 C ATOM 0 H ILE A 57 -2.592 7.354 0.378 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.940 6.654 -2.195 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.221 7.269 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.306 4.723 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.458 4.912 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.377 6.950 -0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.442 8.325 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.474 6.784 -2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.572 3.705 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.614 5.266 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.475 5.074 -0.079 1.00 0.00 H new ATOM 908 N ASP A 58 -3.438 9.093 -2.676 1.00 0.00 N ATOM 909 CA ASP A 58 -3.041 10.466 -2.987 1.00 0.00 C ATOM 910 C ASP A 58 -1.920 10.935 -2.047 1.00 0.00 C ATOM 911 O ASP A 58 -1.953 12.060 -1.541 1.00 0.00 O ATOM 912 CB ASP A 58 -4.209 11.468 -2.995 1.00 0.00 C ATOM 913 CG ASP A 58 -5.473 11.055 -3.734 1.00 0.00 C ATOM 914 OD1 ASP A 58 -5.394 10.751 -4.944 1.00 0.00 O ATOM 915 OD2 ASP A 58 -6.556 11.113 -3.103 1.00 0.00 O ATOM 0 H ASP A 58 -3.438 8.484 -3.494 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.666 10.444 -4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.477 11.683 -1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.851 12.400 -3.432 1.00 0.00 H new ATOM 920 N ALA A 59 -0.923 10.076 -1.806 1.00 0.00 N ATOM 921 CA ALA A 59 0.273 10.259 -0.978 1.00 0.00 C ATOM 922 C ALA A 59 0.025 10.174 0.530 1.00 0.00 C ATOM 923 O ALA A 59 0.958 10.260 1.328 1.00 0.00 O ATOM 924 CB ALA A 59 0.952 11.577 -1.307 1.00 0.00 C ATOM 0 H ALA A 59 -0.935 9.147 -2.226 1.00 0.00 H new ATOM 0 HA ALA A 59 0.921 9.419 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.838 11.696 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.245 11.583 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.262 12.399 -1.118 1.00 0.00 H new ATOM 930 N GLN A 60 -1.220 9.985 0.935 1.00 0.00 N ATOM 931 CA GLN A 60 -1.661 9.874 2.313 1.00 0.00 C ATOM 932 C GLN A 60 -1.221 8.505 2.807 1.00 0.00 C ATOM 933 O GLN A 60 -1.793 7.498 2.392 1.00 0.00 O ATOM 934 CB GLN A 60 -3.168 9.992 2.209 1.00 0.00 C ATOM 935 CG GLN A 60 -4.123 10.113 3.388 1.00 0.00 C ATOM 936 CD GLN A 60 -5.555 10.257 2.838 1.00 0.00 C ATOM 937 OE1 GLN A 60 -6.514 10.308 3.604 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.742 10.384 1.524 1.00 0.00 N ATOM 0 H GLN A 60 -1.992 9.900 0.273 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.261 10.617 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.356 10.864 1.582 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.497 9.118 1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.049 9.234 4.028 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.863 10.976 4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.945 10.342 0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.682 10.524 1.154 1.00 0.00 H new ATOM 947 N HIS A 61 -0.156 8.440 3.601 1.00 0.00 N ATOM 948 CA HIS A 61 0.396 7.166 4.044 1.00 0.00 C ATOM 949 C HIS A 61 -0.622 6.498 4.959 1.00 0.00 C ATOM 950 O HIS A 61 -0.838 6.959 6.078 1.00 0.00 O ATOM 951 CB HIS A 61 1.735 7.396 4.763 1.00 0.00 C ATOM 952 CG HIS A 61 2.359 6.145 5.338 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.133 6.109 6.482 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.266 4.871 4.842 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.488 4.832 6.697 1.00 0.00 C ATOM 956 NE2 HIS A 61 2.980 4.064 5.712 1.00 0.00 N ATOM 0 H HIS A 61 0.342 9.258 3.951 1.00 0.00 H new ATOM 0 HA HIS A 61 0.592 6.514 3.193 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.437 7.848 4.062 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.582 8.114 5.569 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.741 4.559 3.951 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.084 4.477 7.525 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.102 3.055 5.622 1.00 0.00 H new ATOM 965 N ILE A 62 -1.251 5.426 4.490 1.00 0.00 N ATOM 966 CA ILE A 62 -2.261 4.688 5.225 1.00 0.00 C ATOM 967 C ILE A 62 -1.544 3.883 6.309 1.00 0.00 C ATOM 968 O ILE A 62 -1.775 4.092 7.501 1.00 0.00 O ATOM 969 CB ILE A 62 -3.063 3.823 4.223 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.580 4.637 3.017 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.232 3.087 4.883 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.431 5.861 3.378 1.00 0.00 C ATOM 0 H ILE A 62 -1.065 5.040 3.564 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.985 5.333 5.723 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.352 3.081 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.725 4.969 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.170 3.978 2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.759 2.496 4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.853 2.428 5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.918 3.812 5.321 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.747 6.367 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.310 5.541 3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.842 6.547 3.988 1.00 0.00 H new ATOM 984 N GLY A 63 -0.627 3.006 5.898 1.00 0.00 N ATOM 985 CA GLY A 63 0.061 2.083 6.779 1.00 0.00 C ATOM 986 C GLY A 63 0.056 0.707 6.138 1.00 0.00 C ATOM 987 O GLY A 63 0.375 0.596 4.951 1.00 0.00 O ATOM 0 H GLY A 63 -0.342 2.922 4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.084 2.416 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.431 2.049 7.751 1.00 0.00 H new ATOM 991 N GLY A 64 -0.287 -0.308 6.928 1.00 0.00 N ATOM 992 CA GLY A 64 -0.222 -1.718 6.566 1.00 0.00 C ATOM 993 C GLY A 64 -1.558 -2.224 6.042 1.00 0.00 C ATOM 994 O GLY A 64 -2.504 -1.447 5.890 1.00 0.00 O ATOM 0 H GLY A 64 -0.632 -0.162 7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.546 -1.864 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.074 -2.304 7.436 1.00 0.00 H new ATOM 998 N TYR A 65 -1.659 -3.532 5.768 1.00 0.00 N ATOM 999 CA TYR A 65 -2.920 -4.101 5.301 1.00 0.00 C ATOM 1000 C TYR A 65 -4.030 -3.830 6.301 1.00 0.00 C ATOM 1001 O TYR A 65 -5.120 -3.474 5.882 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.860 -5.603 4.976 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.235 -6.180 4.680 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -4.982 -5.658 3.612 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.815 -7.157 5.514 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.241 -6.179 3.285 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -6.102 -7.652 5.226 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.803 -7.187 4.089 1.00 0.00 C ATOM 1009 OH TYR A 65 -8.033 -7.673 3.784 1.00 0.00 O ATOM 0 H TYR A 65 -0.895 -4.201 5.861 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.131 -3.598 4.357 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.208 -5.762 4.117 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.416 -6.138 5.816 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.579 -4.841 3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.273 -7.526 6.373 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.776 -5.809 2.422 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.554 -8.388 5.874 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.672 -7.403 4.476 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.764 -3.961 7.597 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.794 -3.776 8.610 1.00 0.00 C ATOM 1021 C ASP A 66 -5.308 -2.336 8.605 1.00 0.00 C ATOM 1022 O ASP A 66 -6.500 -2.120 8.786 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.241 -4.156 9.982 1.00 0.00 C ATOM 1024 CG ASP A 66 -5.157 -3.665 11.096 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.259 -4.244 11.249 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -4.740 -2.768 11.866 1.00 0.00 O ATOM 0 H ASP A 66 -2.843 -4.195 7.969 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.637 -4.427 8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.132 -5.239 10.047 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.247 -3.727 10.109 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.434 -1.363 8.330 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.821 0.051 8.228 1.00 0.00 C ATOM 1033 C ASP A 67 -5.737 0.251 7.019 1.00 0.00 C ATOM 1034 O ASP A 67 -6.788 0.882 7.102 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.603 0.976 8.060 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.770 1.159 9.315 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -3.217 1.850 10.256 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -1.617 0.670 9.333 1.00 0.00 O ATOM 0 H ASP A 67 -3.440 -1.531 8.172 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.331 0.309 9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.965 0.576 7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.949 1.953 7.724 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.330 -0.288 5.871 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.065 -0.199 4.613 1.00 0.00 C ATOM 1045 C LEU A 68 -7.412 -0.896 4.714 1.00 0.00 C ATOM 1046 O LEU A 68 -8.430 -0.393 4.244 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.172 -0.832 3.530 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.701 -0.924 2.086 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.583 -2.152 1.823 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.347 0.381 1.620 1.00 0.00 C ATOM 0 H LEU A 68 -4.458 -0.811 5.789 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.285 0.839 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.238 -0.270 3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.926 -1.843 3.856 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.819 -1.077 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.916 -2.145 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.010 -3.059 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.450 -2.125 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.704 0.265 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.186 0.625 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.612 1.185 1.659 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.411 -2.071 5.316 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.590 -2.892 5.442 1.00 0.00 C ATOM 1064 C TYR A 69 -9.533 -2.221 6.442 1.00 0.00 C ATOM 1065 O TYR A 69 -10.736 -2.192 6.209 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.163 -4.291 5.885 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.231 -5.363 5.925 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.431 -5.230 5.199 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -8.909 -6.602 6.507 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -11.266 -6.335 4.999 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -9.740 -7.717 6.310 1.00 0.00 C ATOM 1072 CZ TYR A 69 -10.913 -7.589 5.533 1.00 0.00 C ATOM 1073 OH TYR A 69 -11.678 -8.669 5.245 1.00 0.00 O ATOM 0 H TYR A 69 -6.577 -2.483 5.735 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.121 -2.994 4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.371 -4.629 5.217 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.728 -4.211 6.881 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.709 -4.268 4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.017 -6.697 7.109 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.181 -6.226 4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.483 -8.669 6.751 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.305 -9.461 5.686 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.010 -1.612 7.512 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.793 -0.773 8.403 1.00 0.00 C ATOM 1085 C ALA A 70 -10.401 0.408 7.640 1.00 0.00 C ATOM 1086 O ALA A 70 -11.566 0.735 7.871 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.929 -0.285 9.571 1.00 0.00 C ATOM 0 H ALA A 70 -8.029 -1.692 7.778 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.612 -1.367 8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.529 0.342 10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.554 -1.143 10.129 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.089 0.293 9.186 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.644 1.089 6.773 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.167 2.173 5.958 1.00 0.00 C ATOM 1095 C LEU A 71 -11.352 1.690 5.116 1.00 0.00 C ATOM 1096 O LEU A 71 -12.401 2.338 5.098 1.00 0.00 O ATOM 1097 CB LEU A 71 -9.040 2.776 5.115 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.542 3.877 4.166 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -10.095 5.065 4.961 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -8.407 4.348 3.263 1.00 0.00 C ATOM 0 H LEU A 71 -8.653 0.899 6.622 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.550 2.966 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.277 3.189 5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.564 1.987 4.532 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.342 3.462 3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.445 5.833 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.925 4.731 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.309 5.477 5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.773 5.128 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.597 4.745 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.039 3.508 2.673 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.194 0.559 4.420 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.263 -0.093 3.664 1.00 0.00 C ATOM 1114 C ASP A 72 -13.430 -0.486 4.569 1.00 0.00 C ATOM 1115 O ASP A 72 -14.582 -0.288 4.192 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.743 -1.276 2.821 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.825 -2.351 2.619 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.757 -2.118 1.816 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -12.767 -3.419 3.263 1.00 0.00 O ATOM 0 H ASP A 72 -10.304 0.064 4.367 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.648 0.638 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.407 -0.911 1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.877 -1.720 3.312 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.174 -0.922 5.799 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.224 -1.276 6.753 1.00 0.00 C ATOM 1126 C ALA A 73 -14.991 -0.035 7.231 1.00 0.00 C ATOM 1127 O ALA A 73 -16.147 -0.140 7.649 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.634 -2.046 7.940 1.00 0.00 C ATOM 0 H ALA A 73 -12.229 -1.041 6.165 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.936 -1.923 6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.430 -2.301 8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.159 -2.959 7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.893 -1.426 8.444 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.392 1.157 7.138 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.050 2.439 7.395 1.00 0.00 C ATOM 1136 C ARG A 74 -15.636 2.998 6.094 1.00 0.00 C ATOM 1137 O ARG A 74 -16.323 4.017 6.110 1.00 0.00 O ATOM 1138 CB ARG A 74 -14.052 3.346 8.152 1.00 0.00 C ATOM 1139 CG ARG A 74 -14.352 4.855 8.200 1.00 0.00 C ATOM 1140 CD ARG A 74 -13.564 5.576 7.099 1.00 0.00 C ATOM 1141 NE ARG A 74 -14.233 6.788 6.610 1.00 0.00 N ATOM 1142 CZ ARG A 74 -13.634 7.828 6.018 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -12.332 8.062 6.170 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -14.349 8.622 5.238 1.00 0.00 N ATOM 0 H ARG A 74 -13.412 1.258 6.875 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.918 2.347 8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -13.982 2.985 9.178 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.069 3.214 7.700 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.420 5.027 8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.083 5.258 9.176 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.578 5.842 7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.409 4.892 6.264 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.244 6.842 6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.766 7.441 6.749 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.900 8.862 5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.342 8.437 5.095 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.907 9.419 4.780 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.426 2.339 4.956 1.00 0.00 N ATOM 1159 CA GLY A 75 -15.874 2.810 3.659 1.00 0.00 C ATOM 1160 C GLY A 75 -15.259 4.164 3.352 1.00 0.00 C ATOM 1161 O GLY A 75 -15.931 5.030 2.804 1.00 0.00 O ATOM 0 H GLY A 75 -14.931 1.448 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.595 2.092 2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.961 2.885 3.647 1.00 0.00 H new ATOM 1165 N GLY A 76 -13.995 4.362 3.734 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.211 5.523 3.322 1.00 0.00 C ATOM 1167 C GLY A 76 -12.298 5.202 2.137 1.00 0.00 C ATOM 1168 O GLY A 76 -11.569 6.078 1.677 1.00 0.00 O ATOM 0 H GLY A 76 -13.487 3.718 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.883 6.338 3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.608 5.871 4.161 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.307 3.950 1.671 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.495 3.467 0.565 1.00 0.00 C ATOM 1174 C LEU A 77 -12.205 3.785 -0.741 1.00 0.00 C ATOM 1175 O LEU A 77 -11.739 4.626 -1.507 1.00 0.00 O ATOM 1176 CB LEU A 77 -11.254 1.959 0.768 1.00 0.00 C ATOM 1177 CG LEU A 77 -10.298 1.264 -0.217 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -10.808 1.130 -1.655 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -8.927 1.948 -0.198 1.00 0.00 C ATOM 0 H LEU A 77 -12.902 3.225 2.071 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.522 3.957 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.867 1.811 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.218 1.453 0.718 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.223 0.239 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.056 0.626 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.729 0.548 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.002 2.121 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.260 1.446 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.038 2.993 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.506 1.892 0.806 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.341 3.130 -0.985 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.183 3.349 -2.158 1.00 0.00 C ATOM 1193 C ASP A 78 -14.422 4.822 -2.494 1.00 0.00 C ATOM 1194 O ASP A 78 -14.157 5.173 -3.637 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.482 2.513 -2.220 1.00 0.00 C ATOM 1196 CG ASP A 78 -15.480 1.171 -1.488 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -15.159 1.130 -0.276 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -15.801 0.140 -2.124 1.00 0.00 O ATOM 0 H ASP A 78 -13.708 2.416 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.563 2.947 -2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -16.294 3.118 -1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -15.715 2.327 -3.268 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.855 5.730 -1.596 1.00 0.00 N ATOM 1204 CA PRO A 79 -15.111 7.120 -1.973 1.00 0.00 C ATOM 1205 C PRO A 79 -13.833 7.927 -2.255 1.00 0.00 C ATOM 1206 O PRO A 79 -13.922 9.137 -2.484 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.965 7.699 -0.848 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.482 6.921 0.366 1.00 0.00 C ATOM 1209 CD PRO A 79 -15.200 5.528 -0.201 1.00 0.00 C ATOM 0 HA PRO A 79 -15.636 7.174 -2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.809 8.771 -0.731 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.029 7.550 -1.029 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.588 7.367 0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.237 6.891 1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.385 5.045 0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.073 4.882 -0.104 1.00 0.00 H new ATOM 1217 N LEU A 80 -12.645 7.311 -2.213 1.00 0.00 N ATOM 1218 CA LEU A 80 -11.404 7.908 -2.693 1.00 0.00 C ATOM 1219 C LEU A 80 -10.936 7.204 -3.968 1.00 0.00 C ATOM 1220 O LEU A 80 -10.440 7.864 -4.884 1.00 0.00 O ATOM 1221 CB LEU A 80 -10.327 7.863 -1.598 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.512 8.931 -0.502 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.395 8.794 0.537 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -10.492 10.354 -1.084 1.00 0.00 C ATOM 0 H LEU A 80 -12.523 6.370 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.586 8.955 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.333 6.876 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.348 7.994 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.485 8.769 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.525 9.549 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.436 7.802 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.429 8.934 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.625 11.078 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.537 10.532 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.300 10.463 -1.808 1.00 0.00 H new ATOM 1236 N LEU A 81 -11.079 5.882 -4.068 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.677 5.139 -5.263 1.00 0.00 C ATOM 1238 C LEU A 81 -11.705 5.224 -6.400 1.00 0.00 C ATOM 1239 O LEU A 81 -11.356 4.927 -7.544 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.339 3.682 -4.886 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.826 3.511 -4.634 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.481 2.199 -3.915 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -8.055 3.576 -5.953 1.00 0.00 C ATOM 0 H LEU A 81 -11.474 5.300 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.779 5.612 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.894 3.396 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.656 3.013 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.531 4.332 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.403 2.138 -3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.982 2.172 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.813 1.355 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.990 3.454 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.397 2.779 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.228 4.541 -6.429 1.00 0.00 H new ATOM 1255 N LYS A 82 -12.941 5.641 -6.124 1.00 0.00 N ATOM 1256 CA LYS A 82 -13.966 5.936 -7.119 1.00 0.00 C ATOM 1257 C LYS A 82 -14.121 7.439 -7.195 1.00 0.00 C ATOM 1258 O LYS A 82 -14.080 7.977 -8.322 1.00 0.00 O ATOM 1259 CB LYS A 82 -15.300 5.249 -6.769 1.00 0.00 C ATOM 1260 CG LYS A 82 -15.594 4.005 -7.616 1.00 0.00 C ATOM 1261 CD LYS A 82 -15.832 4.352 -9.095 1.00 0.00 C ATOM 1262 CE LYS A 82 -16.560 3.244 -9.858 1.00 0.00 C ATOM 1263 NZ LYS A 82 -17.920 2.967 -9.353 1.00 0.00 N ATOM 1264 OXT LYS A 82 -14.326 8.087 -6.150 1.00 0.00 O ATOM 0 H LYS A 82 -13.265 5.787 -5.168 1.00 0.00 H new ATOM 0 HA LYS A 82 -13.666 5.545 -8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.288 4.966 -5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -16.112 5.965 -6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.759 3.309 -7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -16.472 3.496 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.414 5.272 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.873 4.548 -9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.623 3.521 -10.910 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.969 2.330 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -18.453 2.432 -10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -17.858 2.409 -8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -18.407 3.865 -9.158 1.00 0.00 H new TER 1278 LYS A 82