USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 597 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 180:sc= -0.215 USER MOD Set 1.2: A 54 GLN : amide:sc= 1.71 K(o=2.2,f=-1.5) USER MOD Set 1.3: A 61 HIS : no HD1:sc= 0.674 K(o=2.2,f=-7.1!) USER MOD Single : A 2 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.28) USER MOD Single : A 6 TYR OH : rot 165:sc= 0 USER MOD Single : A 7 THR OG1 : rot -30:sc= 0.824 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= -0.0655 K(o=-0.065,f=-0.57) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.2) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00345 USER MOD Single : A 29 GLN : amide:sc= -0.204 K(o=-0.2,f=-0.78) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -125:sc= 0 (180deg=-0.289) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.18) USER MOD Single : A 47 SER OG : rot -65:sc= 1.76 USER MOD Single : A 50 THR OG1 : rot -33:sc= 1.28 USER MOD Single : A 60 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.011) USER MOD Single : A 65 TYR OH : rot -101:sc= 1.46 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN A 2 -3.027 8.867 -7.159 1.00 0.00 N ATOM 14 CA ASN A 2 -1.888 8.015 -6.972 1.00 0.00 C ATOM 15 C ASN A 2 -2.356 6.969 -5.968 1.00 0.00 C ATOM 16 O ASN A 2 -2.338 7.222 -4.765 1.00 0.00 O ATOM 17 CB ASN A 2 -0.661 8.790 -6.447 1.00 0.00 C ATOM 18 CG ASN A 2 -0.508 10.290 -6.719 1.00 0.00 C ATOM 19 OD1 ASN A 2 -1.145 10.905 -7.573 1.00 0.00 O ATOM 20 ND2 ASN A 2 0.334 10.944 -5.939 1.00 0.00 N ATOM 0 HA ASN A 2 -1.557 7.572 -7.911 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.636 8.656 -5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 2 0.225 8.299 -6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.452 11.951 -6.047 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.866 10.442 -5.228 1.00 0.00 H new ATOM 27 N VAL A 3 -2.840 5.823 -6.429 1.00 0.00 N ATOM 28 CA VAL A 3 -3.252 4.748 -5.543 1.00 0.00 C ATOM 29 C VAL A 3 -2.096 3.789 -5.592 1.00 0.00 C ATOM 30 O VAL A 3 -1.969 3.047 -6.564 1.00 0.00 O ATOM 31 CB VAL A 3 -4.566 4.115 -6.002 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.956 2.997 -5.029 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.651 5.183 -6.056 1.00 0.00 C ATOM 0 H VAL A 3 -2.957 5.615 -7.421 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.460 5.084 -4.527 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.447 3.688 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.893 2.543 -5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.172 2.240 -5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.081 3.412 -4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.588 4.733 -6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.783 5.618 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.359 5.964 -6.758 1.00 0.00 H new ATOM 43 N GLU A 4 -1.232 3.839 -4.592 1.00 0.00 N ATOM 44 CA GLU A 4 0.030 3.145 -4.650 1.00 0.00 C ATOM 45 C GLU A 4 0.195 2.194 -3.488 1.00 0.00 C ATOM 46 O GLU A 4 -0.264 2.489 -2.385 1.00 0.00 O ATOM 47 CB GLU A 4 1.144 4.194 -4.613 1.00 0.00 C ATOM 48 CG GLU A 4 1.335 4.940 -5.929 1.00 0.00 C ATOM 49 CD GLU A 4 2.471 5.944 -5.765 1.00 0.00 C ATOM 50 OE1 GLU A 4 2.248 7.035 -5.190 1.00 0.00 O ATOM 51 OE2 GLU A 4 3.613 5.666 -6.189 1.00 0.00 O ATOM 0 H GLU A 4 -1.389 4.358 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 4 0.072 2.555 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.924 4.916 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.081 3.706 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.565 4.238 -6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.415 5.453 -6.209 1.00 0.00 H new ATOM 58 N ILE A 5 0.901 1.084 -3.715 1.00 0.00 N ATOM 59 CA ILE A 5 1.197 0.126 -2.669 1.00 0.00 C ATOM 60 C ILE A 5 2.619 -0.413 -2.822 1.00 0.00 C ATOM 61 O ILE A 5 2.956 -1.051 -3.819 1.00 0.00 O ATOM 62 CB ILE A 5 0.065 -0.916 -2.597 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.246 -1.770 -1.325 1.00 0.00 C ATOM 64 CG2 ILE A 5 -0.132 -1.784 -3.848 1.00 0.00 C ATOM 65 CD1 ILE A 5 -0.910 -2.737 -1.046 1.00 0.00 C ATOM 0 H ILE A 5 1.279 0.832 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 5 1.208 0.593 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.864 -0.348 -2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.170 -2.342 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.363 -1.106 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.955 -2.480 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.363 -1.146 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.781 -2.344 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.703 -3.298 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.834 -2.173 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.016 -3.428 -1.882 1.00 0.00 H new ATOM 77 N TYR A 6 3.474 -0.110 -1.846 1.00 0.00 N ATOM 78 CA TYR A 6 4.835 -0.628 -1.769 1.00 0.00 C ATOM 79 C TYR A 6 4.759 -2.092 -1.335 1.00 0.00 C ATOM 80 O TYR A 6 3.941 -2.435 -0.480 1.00 0.00 O ATOM 81 CB TYR A 6 5.676 0.217 -0.801 1.00 0.00 C ATOM 82 CG TYR A 6 6.084 1.599 -1.311 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.133 2.548 -1.743 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.449 1.944 -1.355 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.542 3.788 -2.269 1.00 0.00 C ATOM 86 CE2 TYR A 6 7.868 3.191 -1.847 1.00 0.00 C ATOM 87 CZ TYR A 6 6.915 4.107 -2.338 1.00 0.00 C ATOM 88 OH TYR A 6 7.335 5.281 -2.878 1.00 0.00 O ATOM 0 H TYR A 6 3.234 0.513 -1.075 1.00 0.00 H new ATOM 0 HA TYR A 6 5.326 -0.569 -2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.114 0.343 0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.580 -0.340 -0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.080 2.320 -1.669 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.186 1.237 -1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.805 4.495 -2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.917 3.448 -1.849 1.00 0.00 H new ATOM 0 HH TYR A 6 8.272 5.436 -2.635 1.00 0.00 H new ATOM 98 N THR A 7 5.598 -2.948 -1.918 1.00 0.00 N ATOM 99 CA THR A 7 5.539 -4.404 -1.823 1.00 0.00 C ATOM 100 C THR A 7 6.944 -5.019 -1.959 1.00 0.00 C ATOM 101 O THR A 7 7.894 -4.302 -2.256 1.00 0.00 O ATOM 102 CB THR A 7 4.608 -4.924 -2.942 1.00 0.00 C ATOM 103 OG1 THR A 7 5.059 -4.487 -4.213 1.00 0.00 O ATOM 104 CG2 THR A 7 3.145 -4.489 -2.815 1.00 0.00 C ATOM 0 H THR A 7 6.374 -2.628 -2.497 1.00 0.00 H new ATOM 0 HA THR A 7 5.149 -4.694 -0.847 1.00 0.00 H new ATOM 0 HB THR A 7 4.649 -6.008 -2.837 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.514 -3.624 -4.120 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.570 -4.901 -3.644 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.737 -4.855 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.086 -3.401 -2.838 1.00 0.00 H new ATOM 112 N LYS A 8 7.115 -6.329 -1.751 1.00 0.00 N ATOM 113 CA LYS A 8 8.341 -7.079 -2.077 1.00 0.00 C ATOM 114 C LYS A 8 7.937 -8.506 -2.426 1.00 0.00 C ATOM 115 O LYS A 8 6.770 -8.871 -2.273 1.00 0.00 O ATOM 116 CB LYS A 8 9.450 -7.058 -0.989 1.00 0.00 C ATOM 117 CG LYS A 8 8.984 -6.594 0.391 1.00 0.00 C ATOM 118 CD LYS A 8 9.960 -6.820 1.551 1.00 0.00 C ATOM 119 CE LYS A 8 11.350 -6.224 1.346 1.00 0.00 C ATOM 120 NZ LYS A 8 12.199 -6.490 2.524 1.00 0.00 N ATOM 0 H LYS A 8 6.388 -6.915 -1.341 1.00 0.00 H new ATOM 0 HA LYS A 8 8.809 -6.574 -2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.869 -8.060 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.256 -6.405 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.760 -5.529 0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.050 -7.105 0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.529 -6.396 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.061 -7.892 1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.809 -6.651 0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.272 -5.149 1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.142 -6.079 2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.767 -6.062 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.287 -7.517 2.664 1.00 0.00 H new ATOM 134 N GLU A 9 8.909 -9.307 -2.853 1.00 0.00 N ATOM 135 CA GLU A 9 8.729 -10.696 -3.279 1.00 0.00 C ATOM 136 C GLU A 9 8.190 -11.622 -2.172 1.00 0.00 C ATOM 137 O GLU A 9 7.587 -12.646 -2.488 1.00 0.00 O ATOM 138 CB GLU A 9 10.044 -11.209 -3.888 1.00 0.00 C ATOM 139 CG GLU A 9 11.212 -11.350 -2.894 1.00 0.00 C ATOM 140 CD GLU A 9 11.425 -12.799 -2.450 1.00 0.00 C ATOM 141 OE1 GLU A 9 10.578 -13.373 -1.733 1.00 0.00 O ATOM 142 OE2 GLU A 9 12.459 -13.398 -2.816 1.00 0.00 O ATOM 0 H GLU A 9 9.879 -8.998 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 9 7.949 -10.713 -4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.859 -12.180 -4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.346 -10.531 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.126 -10.976 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.019 -10.729 -2.019 1.00 0.00 H new ATOM 149 N THR A 10 8.299 -11.229 -0.898 1.00 0.00 N ATOM 150 CA THR A 10 7.799 -11.951 0.265 1.00 0.00 C ATOM 151 C THR A 10 7.087 -10.896 1.101 1.00 0.00 C ATOM 152 O THR A 10 7.731 -10.018 1.683 1.00 0.00 O ATOM 153 CB THR A 10 8.924 -12.699 1.033 1.00 0.00 C ATOM 154 OG1 THR A 10 8.511 -13.028 2.354 1.00 0.00 O ATOM 155 CG2 THR A 10 10.249 -11.944 1.187 1.00 0.00 C ATOM 0 H THR A 10 8.761 -10.356 -0.644 1.00 0.00 H new ATOM 0 HA THR A 10 7.117 -12.755 -0.014 1.00 0.00 H new ATOM 0 HB THR A 10 9.100 -13.572 0.404 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.236 -13.499 2.816 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.958 -12.562 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.655 -11.717 0.201 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.077 -11.015 1.731 1.00 0.00 H new ATOM 163 N CYS A 11 5.757 -10.932 1.114 1.00 0.00 N ATOM 164 CA CYS A 11 4.934 -9.989 1.848 1.00 0.00 C ATOM 165 C CYS A 11 3.492 -10.521 1.901 1.00 0.00 C ATOM 166 O CYS A 11 2.675 -10.141 1.053 1.00 0.00 O ATOM 167 CB CYS A 11 5.005 -8.624 1.153 1.00 0.00 C ATOM 168 SG CYS A 11 4.117 -7.322 2.026 1.00 0.00 S ATOM 0 H CYS A 11 5.217 -11.631 0.604 1.00 0.00 H new ATOM 0 HA CYS A 11 5.292 -9.872 2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.050 -8.333 1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.599 -8.717 0.146 1.00 0.00 H new ATOM 173 N PRO A 12 3.132 -11.384 2.869 1.00 0.00 N ATOM 174 CA PRO A 12 1.768 -11.883 2.979 1.00 0.00 C ATOM 175 C PRO A 12 0.768 -10.739 3.185 1.00 0.00 C ATOM 176 O PRO A 12 -0.317 -10.779 2.609 1.00 0.00 O ATOM 177 CB PRO A 12 1.775 -12.898 4.127 1.00 0.00 C ATOM 178 CG PRO A 12 3.025 -12.556 4.938 1.00 0.00 C ATOM 179 CD PRO A 12 3.978 -11.965 3.901 1.00 0.00 C ATOM 0 HA PRO A 12 1.439 -12.368 2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.874 -12.815 4.734 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.814 -13.921 3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.805 -11.842 5.732 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.449 -13.441 5.413 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.623 -11.209 4.349 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.629 -12.734 3.485 1.00 0.00 H new ATOM 187 N TYR A 13 1.130 -9.660 3.889 1.00 0.00 N ATOM 188 CA TYR A 13 0.194 -8.559 4.108 1.00 0.00 C ATOM 189 C TYR A 13 0.018 -7.760 2.811 1.00 0.00 C ATOM 190 O TYR A 13 -1.060 -7.216 2.578 1.00 0.00 O ATOM 191 CB TYR A 13 0.663 -7.652 5.259 1.00 0.00 C ATOM 192 CG TYR A 13 0.488 -8.226 6.657 1.00 0.00 C ATOM 193 CD1 TYR A 13 1.230 -9.347 7.075 1.00 0.00 C ATOM 194 CD2 TYR A 13 -0.407 -7.621 7.563 1.00 0.00 C ATOM 195 CE1 TYR A 13 1.060 -9.880 8.363 1.00 0.00 C ATOM 196 CE2 TYR A 13 -0.572 -8.140 8.857 1.00 0.00 C ATOM 197 CZ TYR A 13 0.164 -9.272 9.267 1.00 0.00 C ATOM 198 OH TYR A 13 -0.027 -9.787 10.513 1.00 0.00 O ATOM 0 H TYR A 13 2.050 -9.529 4.310 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.772 -8.974 4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.718 -7.420 5.109 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.118 -6.710 5.201 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.938 -9.802 6.398 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.970 -6.751 7.259 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.616 -10.756 8.662 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.264 -7.671 9.541 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.678 -9.238 10.998 1.00 0.00 H new ATOM 208 N CYS A 14 1.013 -7.730 1.917 1.00 0.00 N ATOM 209 CA CYS A 14 0.845 -7.143 0.592 1.00 0.00 C ATOM 210 C CYS A 14 -0.195 -7.939 -0.170 1.00 0.00 C ATOM 211 O CYS A 14 -1.124 -7.342 -0.706 1.00 0.00 O ATOM 212 CB CYS A 14 2.137 -7.117 -0.223 1.00 0.00 C ATOM 213 SG CYS A 14 3.485 -6.168 0.501 1.00 0.00 S ATOM 0 H CYS A 14 1.944 -8.108 2.092 1.00 0.00 H new ATOM 0 HA CYS A 14 0.533 -6.109 0.738 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.475 -8.143 -0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.917 -6.709 -1.210 1.00 0.00 H new ATOM 218 N HIS A 15 -0.064 -9.270 -0.194 1.00 0.00 N ATOM 219 CA HIS A 15 -1.071 -10.122 -0.808 1.00 0.00 C ATOM 220 C HIS A 15 -2.443 -9.831 -0.198 1.00 0.00 C ATOM 221 O HIS A 15 -3.380 -9.644 -0.968 1.00 0.00 O ATOM 222 CB HIS A 15 -0.676 -11.601 -0.700 1.00 0.00 C ATOM 223 CG HIS A 15 -1.783 -12.554 -1.079 1.00 0.00 C ATOM 224 ND1 HIS A 15 -2.772 -12.340 -2.025 1.00 0.00 N ATOM 225 CD2 HIS A 15 -1.989 -13.780 -0.512 1.00 0.00 C ATOM 226 CE1 HIS A 15 -3.565 -13.426 -2.026 1.00 0.00 C ATOM 227 NE2 HIS A 15 -3.108 -14.314 -1.121 1.00 0.00 N ATOM 0 H HIS A 15 0.729 -9.773 0.205 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.134 -9.898 -1.873 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.186 -11.786 -1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.363 -11.810 0.323 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.393 -14.242 0.261 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.433 -13.565 -2.654 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.519 -15.226 -0.920 1.00 0.00 H new ATOM 236 N ARG A 16 -2.584 -9.737 1.131 1.00 0.00 N ATOM 237 CA ARG A 16 -3.870 -9.423 1.752 1.00 0.00 C ATOM 238 C ARG A 16 -4.457 -8.134 1.190 1.00 0.00 C ATOM 239 O ARG A 16 -5.605 -8.137 0.745 1.00 0.00 O ATOM 240 CB ARG A 16 -3.761 -9.326 3.282 1.00 0.00 C ATOM 241 CG ARG A 16 -3.469 -10.650 3.988 1.00 0.00 C ATOM 242 CD ARG A 16 -3.449 -10.481 5.514 1.00 0.00 C ATOM 243 NE ARG A 16 -3.031 -11.729 6.161 1.00 0.00 N ATOM 244 CZ ARG A 16 -2.396 -11.870 7.327 1.00 0.00 C ATOM 245 NH1 ARG A 16 -2.242 -10.853 8.171 1.00 0.00 N ATOM 246 NH2 ARG A 16 -1.905 -13.058 7.644 1.00 0.00 N ATOM 0 H ARG A 16 -1.821 -9.875 1.794 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.541 -10.248 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.973 -8.615 3.532 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.693 -8.919 3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.225 -11.385 3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.508 -11.039 3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.767 -9.676 5.788 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.439 -10.195 5.868 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.251 -12.591 5.661 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.614 -9.933 7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.752 -10.993 9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.015 -13.843 7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.416 -13.188 8.530 1.00 0.00 H new ATOM 260 N ALA A 17 -3.700 -7.035 1.192 1.00 0.00 N ATOM 261 CA ALA A 17 -4.213 -5.773 0.680 1.00 0.00 C ATOM 262 C ALA A 17 -4.532 -5.893 -0.806 1.00 0.00 C ATOM 263 O ALA A 17 -5.632 -5.539 -1.208 1.00 0.00 O ATOM 264 CB ALA A 17 -3.203 -4.645 0.925 1.00 0.00 C ATOM 0 H ALA A 17 -2.742 -6.997 1.539 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.133 -5.531 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.602 -3.708 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.021 -4.545 1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.267 -4.879 0.418 1.00 0.00 H new ATOM 270 N LYS A 18 -3.615 -6.397 -1.634 1.00 0.00 N ATOM 271 CA LYS A 18 -3.832 -6.510 -3.073 1.00 0.00 C ATOM 272 C LYS A 18 -5.053 -7.362 -3.387 1.00 0.00 C ATOM 273 O LYS A 18 -5.799 -7.013 -4.298 1.00 0.00 O ATOM 274 CB LYS A 18 -2.597 -7.100 -3.756 1.00 0.00 C ATOM 275 CG LYS A 18 -1.421 -6.110 -3.785 1.00 0.00 C ATOM 276 CD LYS A 18 -0.209 -6.702 -4.512 1.00 0.00 C ATOM 277 CE LYS A 18 -0.545 -6.919 -5.988 1.00 0.00 C ATOM 278 NZ LYS A 18 0.575 -7.498 -6.745 1.00 0.00 N ATOM 0 H LYS A 18 -2.704 -6.737 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.010 -5.506 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.293 -8.007 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.851 -7.390 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.730 -5.190 -4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.142 -5.845 -2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.645 -6.032 -4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.076 -7.648 -4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.410 -7.577 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.827 -5.966 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.294 -7.624 -7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.394 -6.860 -6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.830 -8.420 -6.337 1.00 0.00 H new ATOM 292 N ALA A 19 -5.284 -8.433 -2.629 1.00 0.00 N ATOM 293 CA ALA A 19 -6.470 -9.258 -2.763 1.00 0.00 C ATOM 294 C ALA A 19 -7.717 -8.415 -2.497 1.00 0.00 C ATOM 295 O ALA A 19 -8.680 -8.500 -3.253 1.00 0.00 O ATOM 296 CB ALA A 19 -6.371 -10.456 -1.814 1.00 0.00 C ATOM 0 H ALA A 19 -4.644 -8.750 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.546 -9.645 -3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.262 -11.075 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.489 -11.046 -2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.291 -10.101 -0.787 1.00 0.00 H new ATOM 302 N LEU A 20 -7.682 -7.548 -1.479 1.00 0.00 N ATOM 303 CA LEU A 20 -8.794 -6.665 -1.145 1.00 0.00 C ATOM 304 C LEU A 20 -9.064 -5.712 -2.302 1.00 0.00 C ATOM 305 O LEU A 20 -10.201 -5.550 -2.730 1.00 0.00 O ATOM 306 CB LEU A 20 -8.493 -5.851 0.126 1.00 0.00 C ATOM 307 CG LEU A 20 -9.793 -5.314 0.749 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.389 -6.381 1.663 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.530 -4.058 1.573 1.00 0.00 C ATOM 0 H LEU A 20 -6.876 -7.442 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.673 -7.283 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.969 -6.476 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.830 -5.020 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.482 -5.067 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.311 -6.006 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.605 -7.278 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.678 -6.622 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.467 -3.701 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.829 -4.289 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.106 -3.285 0.932 1.00 0.00 H new ATOM 321 N LEU A 21 -8.011 -5.082 -2.819 1.00 0.00 N ATOM 322 CA LEU A 21 -8.107 -4.089 -3.878 1.00 0.00 C ATOM 323 C LEU A 21 -8.616 -4.723 -5.168 1.00 0.00 C ATOM 324 O LEU A 21 -9.479 -4.160 -5.837 1.00 0.00 O ATOM 325 CB LEU A 21 -6.727 -3.434 -4.090 1.00 0.00 C ATOM 326 CG LEU A 21 -6.144 -2.676 -2.881 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.884 -1.919 -3.303 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.145 -1.726 -2.226 1.00 0.00 C ATOM 0 H LEU A 21 -7.055 -5.252 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.823 -3.320 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.020 -4.210 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.802 -2.740 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.894 -3.422 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.476 -1.385 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.143 -2.626 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.134 -1.206 -4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.672 -1.224 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.471 -0.983 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.007 -2.292 -1.874 1.00 0.00 H new ATOM 340 N SER A 22 -8.125 -5.912 -5.502 1.00 0.00 N ATOM 341 CA SER A 22 -8.561 -6.689 -6.646 1.00 0.00 C ATOM 342 C SER A 22 -10.024 -7.121 -6.468 1.00 0.00 C ATOM 343 O SER A 22 -10.792 -7.111 -7.434 1.00 0.00 O ATOM 344 CB SER A 22 -7.596 -7.880 -6.748 1.00 0.00 C ATOM 345 OG SER A 22 -7.787 -8.680 -7.892 1.00 0.00 O ATOM 0 H SER A 22 -7.390 -6.371 -4.964 1.00 0.00 H new ATOM 0 HA SER A 22 -8.535 -6.114 -7.572 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.572 -7.505 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.709 -8.502 -5.860 1.00 0.00 H new ATOM 0 HG SER A 22 -7.138 -9.414 -7.890 1.00 0.00 H new ATOM 351 N SER A 23 -10.436 -7.438 -5.240 1.00 0.00 N ATOM 352 CA SER A 23 -11.795 -7.800 -4.876 1.00 0.00 C ATOM 353 C SER A 23 -12.712 -6.574 -4.965 1.00 0.00 C ATOM 354 O SER A 23 -13.858 -6.717 -5.384 1.00 0.00 O ATOM 355 CB SER A 23 -11.733 -8.443 -3.483 1.00 0.00 C ATOM 356 OG SER A 23 -12.973 -8.839 -2.928 1.00 0.00 O ATOM 0 H SER A 23 -9.800 -7.448 -4.442 1.00 0.00 H new ATOM 0 HA SER A 23 -12.230 -8.525 -5.565 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.085 -9.318 -3.537 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.260 -7.738 -2.800 1.00 0.00 H new ATOM 0 HG SER A 23 -12.824 -9.236 -2.045 1.00 0.00 H new ATOM 362 N LYS A 24 -12.228 -5.365 -4.651 1.00 0.00 N ATOM 363 CA LYS A 24 -12.957 -4.121 -4.891 1.00 0.00 C ATOM 364 C LYS A 24 -12.821 -3.664 -6.350 1.00 0.00 C ATOM 365 O LYS A 24 -13.455 -2.691 -6.754 1.00 0.00 O ATOM 366 CB LYS A 24 -12.447 -3.067 -3.898 1.00 0.00 C ATOM 367 CG LYS A 24 -12.998 -3.249 -2.474 1.00 0.00 C ATOM 368 CD LYS A 24 -14.435 -2.719 -2.337 1.00 0.00 C ATOM 369 CE LYS A 24 -14.872 -2.804 -0.871 1.00 0.00 C ATOM 370 NZ LYS A 24 -15.958 -1.855 -0.555 1.00 0.00 N ATOM 0 H LYS A 24 -11.314 -5.226 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.024 -4.276 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.358 -3.107 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.719 -2.076 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.975 -4.306 -2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.352 -2.730 -1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.488 -1.687 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.110 -3.302 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.204 -3.819 -0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.016 -2.602 -0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.128 -1.851 0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.686 -0.900 -0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.827 -2.145 -1.048 1.00 0.00 H new ATOM 384 N GLY A 25 -12.010 -4.350 -7.156 1.00 0.00 N ATOM 385 CA GLY A 25 -11.886 -4.127 -8.585 1.00 0.00 C ATOM 386 C GLY A 25 -11.200 -2.804 -8.890 1.00 0.00 C ATOM 387 O GLY A 25 -11.441 -2.240 -9.960 1.00 0.00 O ATOM 0 H GLY A 25 -11.405 -5.098 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.319 -4.943 -9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.875 -4.138 -9.042 1.00 0.00 H new ATOM 391 N VAL A 26 -10.408 -2.275 -7.956 1.00 0.00 N ATOM 392 CA VAL A 26 -9.902 -0.907 -8.086 1.00 0.00 C ATOM 393 C VAL A 26 -8.692 -0.876 -9.020 1.00 0.00 C ATOM 394 O VAL A 26 -8.042 -1.905 -9.240 1.00 0.00 O ATOM 395 CB VAL A 26 -9.601 -0.252 -6.717 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.741 -0.421 -5.707 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.316 -0.805 -6.103 1.00 0.00 C ATOM 0 H VAL A 26 -10.106 -2.764 -7.113 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.691 -0.302 -8.533 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.485 0.811 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.469 0.060 -4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.647 0.039 -6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.919 -1.482 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.135 -0.323 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.416 -1.880 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.478 -0.607 -6.772 1.00 0.00 H new ATOM 407 N SER A 27 -8.344 0.312 -9.509 1.00 0.00 N ATOM 408 CA SER A 27 -7.141 0.560 -10.282 1.00 0.00 C ATOM 409 C SER A 27 -6.107 1.184 -9.340 1.00 0.00 C ATOM 410 O SER A 27 -6.314 2.277 -8.802 1.00 0.00 O ATOM 411 CB SER A 27 -7.469 1.388 -11.531 1.00 0.00 C ATOM 412 OG SER A 27 -8.388 2.439 -11.282 1.00 0.00 O ATOM 0 H SER A 27 -8.911 1.149 -9.372 1.00 0.00 H new ATOM 0 HA SER A 27 -6.706 -0.358 -10.676 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.547 1.808 -11.932 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.879 0.730 -12.297 1.00 0.00 H new ATOM 0 HG SER A 27 -8.556 2.931 -12.113 1.00 0.00 H new ATOM 418 N PHE A 28 -5.025 0.453 -9.079 1.00 0.00 N ATOM 419 CA PHE A 28 -3.953 0.803 -8.152 1.00 0.00 C ATOM 420 C PHE A 28 -2.607 0.434 -8.777 1.00 0.00 C ATOM 421 O PHE A 28 -2.564 -0.244 -9.807 1.00 0.00 O ATOM 422 CB PHE A 28 -4.199 0.081 -6.818 1.00 0.00 C ATOM 423 CG PHE A 28 -4.039 -1.429 -6.854 1.00 0.00 C ATOM 424 CD1 PHE A 28 -5.116 -2.255 -7.231 1.00 0.00 C ATOM 425 CD2 PHE A 28 -2.810 -2.015 -6.500 1.00 0.00 C ATOM 426 CE1 PHE A 28 -4.979 -3.653 -7.217 1.00 0.00 C ATOM 427 CE2 PHE A 28 -2.669 -3.413 -6.496 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.759 -4.235 -6.836 1.00 0.00 C ATOM 0 H PHE A 28 -4.865 -0.446 -9.533 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.937 1.875 -7.954 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.512 0.484 -6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.208 0.314 -6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.053 -1.811 -7.533 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.973 -1.389 -6.231 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.812 -4.280 -7.499 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.721 -3.858 -6.231 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.658 -5.310 -6.804 1.00 0.00 H new ATOM 438 N GLN A 29 -1.508 0.860 -8.166 1.00 0.00 N ATOM 439 CA GLN A 29 -0.151 0.697 -8.663 1.00 0.00 C ATOM 440 C GLN A 29 0.627 -0.030 -7.589 1.00 0.00 C ATOM 441 O GLN A 29 0.480 0.278 -6.409 1.00 0.00 O ATOM 442 CB GLN A 29 0.456 2.073 -8.961 1.00 0.00 C ATOM 443 CG GLN A 29 1.992 2.176 -8.958 1.00 0.00 C ATOM 444 CD GLN A 29 2.488 3.600 -9.220 1.00 0.00 C ATOM 445 OE1 GLN A 29 1.713 4.546 -9.382 1.00 0.00 O ATOM 446 NE2 GLN A 29 3.795 3.791 -9.246 1.00 0.00 N ATOM 0 H GLN A 29 -1.542 1.350 -7.272 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.126 0.125 -9.591 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.097 2.397 -9.938 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.068 2.780 -8.228 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.373 1.834 -7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.399 1.508 -9.718 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.428 3.003 -9.111 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.171 4.727 -9.401 1.00 0.00 H new ATOM 455 N GLU A 30 1.493 -0.944 -7.995 1.00 0.00 N ATOM 456 CA GLU A 30 2.338 -1.710 -7.102 1.00 0.00 C ATOM 457 C GLU A 30 3.763 -1.223 -7.298 1.00 0.00 C ATOM 458 O GLU A 30 4.163 -0.888 -8.416 1.00 0.00 O ATOM 459 CB GLU A 30 2.173 -3.217 -7.356 1.00 0.00 C ATOM 460 CG GLU A 30 2.576 -3.684 -8.769 1.00 0.00 C ATOM 461 CD GLU A 30 3.876 -4.492 -8.794 1.00 0.00 C ATOM 462 OE1 GLU A 30 3.900 -5.614 -8.233 1.00 0.00 O ATOM 463 OE2 GLU A 30 4.863 -4.064 -9.434 1.00 0.00 O ATOM 0 H GLU A 30 1.629 -1.177 -8.979 1.00 0.00 H new ATOM 0 HA GLU A 30 2.055 -1.560 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.770 -3.762 -6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.132 -3.488 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.772 -4.290 -9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.686 -2.812 -9.414 1.00 0.00 H new ATOM 470 N LEU A 31 4.517 -1.167 -6.207 1.00 0.00 N ATOM 471 CA LEU A 31 5.895 -0.703 -6.195 1.00 0.00 C ATOM 472 C LEU A 31 6.734 -1.798 -5.544 1.00 0.00 C ATOM 473 O LEU A 31 6.488 -2.105 -4.376 1.00 0.00 O ATOM 474 CB LEU A 31 6.005 0.637 -5.467 1.00 0.00 C ATOM 475 CG LEU A 31 5.192 1.716 -6.207 1.00 0.00 C ATOM 476 CD1 LEU A 31 3.952 2.130 -5.421 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.078 2.913 -6.489 1.00 0.00 C ATOM 0 H LEU A 31 4.178 -1.449 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 31 6.263 -0.522 -7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.640 0.534 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.050 0.939 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 31 4.843 1.296 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.406 2.892 -5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.310 1.262 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.252 2.532 -4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.502 3.676 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.450 3.320 -5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.920 2.605 -7.109 1.00 0.00 H new ATOM 489 N PRO A 32 7.644 -2.459 -6.272 1.00 0.00 N ATOM 490 CA PRO A 32 8.463 -3.535 -5.729 1.00 0.00 C ATOM 491 C PRO A 32 9.545 -2.970 -4.816 1.00 0.00 C ATOM 492 O PRO A 32 9.932 -1.819 -4.977 1.00 0.00 O ATOM 493 CB PRO A 32 9.119 -4.175 -6.951 1.00 0.00 C ATOM 494 CG PRO A 32 9.200 -3.054 -7.982 1.00 0.00 C ATOM 495 CD PRO A 32 8.053 -2.114 -7.622 1.00 0.00 C ATOM 0 HA PRO A 32 7.873 -4.240 -5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.109 -4.564 -6.711 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.529 -5.013 -7.323 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.161 -2.542 -7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.093 -3.440 -8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.373 -1.073 -7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.224 -2.229 -8.320 1.00 0.00 H new ATOM 503 N ILE A 33 10.103 -3.774 -3.911 1.00 0.00 N ATOM 504 CA ILE A 33 11.276 -3.440 -3.109 1.00 0.00 C ATOM 505 C ILE A 33 12.364 -4.519 -3.257 1.00 0.00 C ATOM 506 O ILE A 33 13.505 -4.292 -2.843 1.00 0.00 O ATOM 507 CB ILE A 33 10.814 -3.150 -1.663 1.00 0.00 C ATOM 508 CG1 ILE A 33 9.843 -1.946 -1.614 1.00 0.00 C ATOM 509 CG2 ILE A 33 11.980 -2.904 -0.699 1.00 0.00 C ATOM 510 CD1 ILE A 33 10.517 -0.568 -1.723 1.00 0.00 C ATOM 0 H ILE A 33 9.738 -4.705 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 33 11.761 -2.531 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 33 10.296 -4.050 -1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.121 -2.047 -2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.282 -1.988 -0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.591 -2.706 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.621 -3.785 -0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.559 -2.045 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.758 0.213 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.218 -0.439 -0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.054 -0.499 -2.669 1.00 0.00 H new ATOM 575 N LYS A 39 14.127 2.945 -3.645 1.00 0.00 N ATOM 576 CA LYS A 39 12.919 3.553 -3.098 1.00 0.00 C ATOM 577 C LYS A 39 12.637 3.012 -1.707 1.00 0.00 C ATOM 578 O LYS A 39 11.793 3.574 -1.026 1.00 0.00 O ATOM 579 CB LYS A 39 11.716 3.385 -4.030 1.00 0.00 C ATOM 580 CG LYS A 39 10.838 4.641 -4.112 1.00 0.00 C ATOM 581 CD LYS A 39 9.590 4.402 -4.973 1.00 0.00 C ATOM 582 CE LYS A 39 9.880 3.829 -6.363 1.00 0.00 C ATOM 583 NZ LYS A 39 10.622 4.755 -7.235 1.00 0.00 N ATOM 0 HA LYS A 39 13.093 4.626 -3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.071 3.131 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.110 2.547 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.536 4.941 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.417 5.464 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.924 3.720 -4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.056 5.345 -5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.451 2.907 -6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.937 3.566 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.785 4.306 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.070 5.626 -7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.536 4.987 -6.797 1.00 0.00 H new ATOM 597 N ARG A 40 13.299 1.942 -1.261 1.00 0.00 N ATOM 598 CA ARG A 40 13.247 1.526 0.141 1.00 0.00 C ATOM 599 C ARG A 40 13.828 2.610 1.036 1.00 0.00 C ATOM 600 O ARG A 40 13.225 2.901 2.064 1.00 0.00 O ATOM 601 CB ARG A 40 13.986 0.204 0.354 1.00 0.00 C ATOM 602 CG ARG A 40 13.676 -0.460 1.710 1.00 0.00 C ATOM 603 CD ARG A 40 14.660 -0.092 2.831 1.00 0.00 C ATOM 604 NE ARG A 40 16.013 -0.581 2.524 1.00 0.00 N ATOM 605 CZ ARG A 40 17.170 -0.020 2.881 1.00 0.00 C ATOM 606 NH1 ARG A 40 17.216 0.926 3.811 1.00 0.00 N ATOM 607 NH2 ARG A 40 18.297 -0.418 2.306 1.00 0.00 N ATOM 0 H ARG A 40 13.879 1.347 -1.853 1.00 0.00 H new ATOM 0 HA ARG A 40 12.202 1.372 0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.721 -0.485 -0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.059 0.381 0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 40 12.669 -0.178 2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.678 -1.542 1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.681 0.990 2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.320 -0.520 3.774 1.00 0.00 H new ATOM 0 HE ARG A 40 16.073 -1.441 1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.357 1.236 4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 40 18.110 1.343 4.071 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.276 -1.149 1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 40 19.184 0.007 2.575 1.00 0.00 H new ATOM 621 N GLU A 41 14.974 3.193 0.678 1.00 0.00 N ATOM 622 CA GLU A 41 15.502 4.327 1.435 1.00 0.00 C ATOM 623 C GLU A 41 14.557 5.520 1.320 1.00 0.00 C ATOM 624 O GLU A 41 14.289 6.188 2.316 1.00 0.00 O ATOM 625 CB GLU A 41 16.919 4.722 1.005 1.00 0.00 C ATOM 626 CG GLU A 41 17.978 3.814 1.640 1.00 0.00 C ATOM 627 CD GLU A 41 19.302 4.558 1.793 1.00 0.00 C ATOM 628 OE1 GLU A 41 19.483 5.270 2.810 1.00 0.00 O ATOM 629 OE2 GLU A 41 20.181 4.417 0.916 1.00 0.00 O ATOM 0 H GLU A 41 15.545 2.905 -0.117 1.00 0.00 H new ATOM 0 HA GLU A 41 15.568 4.013 2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.998 4.669 -0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.110 5.757 1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.633 3.471 2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 41 18.122 2.927 1.023 1.00 0.00 H new ATOM 636 N GLU A 42 13.980 5.760 0.141 1.00 0.00 N ATOM 637 CA GLU A 42 12.951 6.785 0.001 1.00 0.00 C ATOM 638 C GLU A 42 11.774 6.494 0.945 1.00 0.00 C ATOM 639 O GLU A 42 11.214 7.403 1.556 1.00 0.00 O ATOM 640 CB GLU A 42 12.497 6.872 -1.458 1.00 0.00 C ATOM 641 CG GLU A 42 11.843 8.212 -1.801 1.00 0.00 C ATOM 642 CD GLU A 42 12.898 9.279 -2.094 1.00 0.00 C ATOM 643 OE1 GLU A 42 13.688 9.652 -1.196 1.00 0.00 O ATOM 644 OE2 GLU A 42 12.957 9.768 -3.242 1.00 0.00 O ATOM 0 H GLU A 42 14.206 5.263 -0.721 1.00 0.00 H new ATOM 0 HA GLU A 42 13.365 7.753 0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.356 6.716 -2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.791 6.067 -1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.192 8.092 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.214 8.536 -0.972 1.00 0.00 H new ATOM 651 N MET A 43 11.432 5.216 1.125 1.00 0.00 N ATOM 652 CA MET A 43 10.392 4.733 2.002 1.00 0.00 C ATOM 653 C MET A 43 10.687 5.017 3.467 1.00 0.00 C ATOM 654 O MET A 43 9.757 4.958 4.267 1.00 0.00 O ATOM 655 CB MET A 43 10.123 3.228 1.815 1.00 0.00 C ATOM 656 CG MET A 43 8.648 2.877 2.009 1.00 0.00 C ATOM 657 SD MET A 43 8.367 1.271 2.796 1.00 0.00 S ATOM 658 CE MET A 43 9.062 0.097 1.610 1.00 0.00 C ATOM 0 H MET A 43 11.905 4.459 0.631 1.00 0.00 H new ATOM 0 HA MET A 43 9.496 5.285 1.718 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.438 2.926 0.816 1.00 0.00 H new ATOM 0 HB3 MET A 43 10.726 2.662 2.525 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.178 3.653 2.613 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.153 2.885 1.038 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.306 -0.642 1.344 1.00 0.00 H new ATOM 0 HE2 MET A 43 9.379 0.630 0.714 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.920 -0.406 2.056 1.00 0.00 H new ATOM 668 N ILE A 44 11.919 5.348 3.845 1.00 0.00 N ATOM 669 CA ILE A 44 12.202 5.827 5.192 1.00 0.00 C ATOM 670 C ILE A 44 11.453 7.155 5.333 1.00 0.00 C ATOM 671 O ILE A 44 10.550 7.256 6.161 1.00 0.00 O ATOM 672 CB ILE A 44 13.718 5.952 5.483 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.507 4.649 5.225 1.00 0.00 C ATOM 674 CG2 ILE A 44 13.883 6.321 6.964 1.00 0.00 C ATOM 675 CD1 ILE A 44 16.022 4.855 5.119 1.00 0.00 C ATOM 0 H ILE A 44 12.736 5.293 3.237 1.00 0.00 H new ATOM 0 HA ILE A 44 11.860 5.110 5.938 1.00 0.00 H new ATOM 0 HB ILE A 44 14.117 6.709 4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.301 3.945 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.146 4.193 4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.943 6.416 7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.381 7.268 7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.442 5.541 7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.508 3.896 4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.240 5.534 4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.397 5.282 6.049 1.00 0.00 H new ATOM 687 N LYS A 45 11.736 8.132 4.462 1.00 0.00 N ATOM 688 CA LYS A 45 11.019 9.408 4.441 1.00 0.00 C ATOM 689 C LYS A 45 9.519 9.177 4.304 1.00 0.00 C ATOM 690 O LYS A 45 8.716 9.719 5.060 1.00 0.00 O ATOM 691 CB LYS A 45 11.469 10.311 3.273 1.00 0.00 C ATOM 692 CG LYS A 45 12.978 10.421 3.036 1.00 0.00 C ATOM 693 CD LYS A 45 13.231 11.364 1.849 1.00 0.00 C ATOM 694 CE LYS A 45 14.708 11.484 1.467 1.00 0.00 C ATOM 695 NZ LYS A 45 15.285 10.202 1.014 1.00 0.00 N ATOM 0 H LYS A 45 12.467 8.058 3.755 1.00 0.00 H new ATOM 0 HA LYS A 45 11.249 9.904 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.006 9.941 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.077 11.313 3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.473 10.800 3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.400 9.437 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.669 11.007 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.846 12.354 2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.815 12.226 0.676 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.273 11.849 2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.229 10.369 0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.365 9.552 1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.668 9.780 0.290 1.00 0.00 H new ATOM 709 N ARG A 46 9.140 8.360 3.323 1.00 0.00 N ATOM 710 CA ARG A 46 7.759 8.213 2.893 1.00 0.00 C ATOM 711 C ARG A 46 6.907 7.487 3.919 1.00 0.00 C ATOM 712 O ARG A 46 5.749 7.861 4.079 1.00 0.00 O ATOM 713 CB ARG A 46 7.703 7.524 1.517 1.00 0.00 C ATOM 714 CG ARG A 46 6.989 8.387 0.470 1.00 0.00 C ATOM 715 CD ARG A 46 6.854 7.576 -0.821 1.00 0.00 C ATOM 716 NE ARG A 46 6.356 8.376 -1.946 1.00 0.00 N ATOM 717 CZ ARG A 46 7.091 9.099 -2.800 1.00 0.00 C ATOM 718 NH1 ARG A 46 8.390 9.296 -2.582 1.00 0.00 N ATOM 719 NH2 ARG A 46 6.518 9.619 -3.873 1.00 0.00 N ATOM 0 H ARG A 46 9.794 7.777 2.801 1.00 0.00 H new ATOM 0 HA ARG A 46 7.332 9.212 2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.716 7.308 1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.188 6.568 1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.006 8.686 0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.553 9.301 0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.824 7.154 -1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.178 6.738 -0.649 1.00 0.00 H new ATOM 0 HE ARG A 46 5.347 8.382 -2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.835 8.894 -1.757 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.939 9.849 -3.240 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.524 9.468 -4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.070 10.171 -4.529 1.00 0.00 H new ATOM 733 N SER A 47 7.425 6.443 4.570 1.00 0.00 N ATOM 734 CA SER A 47 6.600 5.588 5.422 1.00 0.00 C ATOM 735 C SER A 47 6.949 5.713 6.904 1.00 0.00 C ATOM 736 O SER A 47 6.106 5.409 7.749 1.00 0.00 O ATOM 737 CB SER A 47 6.670 4.117 4.991 1.00 0.00 C ATOM 738 OG SER A 47 7.909 3.504 5.305 1.00 0.00 O ATOM 0 H SER A 47 8.407 6.171 4.523 1.00 0.00 H new ATOM 0 HA SER A 47 5.578 5.944 5.292 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.865 3.564 5.475 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.501 4.051 3.916 1.00 0.00 H new ATOM 0 HG SER A 47 8.624 3.925 4.783 1.00 0.00 H new ATOM 744 N GLY A 48 8.184 6.104 7.233 1.00 0.00 N ATOM 745 CA GLY A 48 8.688 6.024 8.596 1.00 0.00 C ATOM 746 C GLY A 48 8.757 4.579 9.109 1.00 0.00 C ATOM 747 O GLY A 48 8.694 4.376 10.321 1.00 0.00 O ATOM 0 H GLY A 48 8.854 6.482 6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.681 6.470 8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.046 6.610 9.253 1.00 0.00 H new ATOM 751 N ARG A 49 8.804 3.568 8.224 1.00 0.00 N ATOM 752 CA ARG A 49 8.775 2.160 8.596 1.00 0.00 C ATOM 753 C ARG A 49 9.787 1.315 7.819 1.00 0.00 C ATOM 754 O ARG A 49 10.581 0.618 8.440 1.00 0.00 O ATOM 755 CB ARG A 49 7.359 1.604 8.412 1.00 0.00 C ATOM 756 CG ARG A 49 6.344 2.045 9.476 1.00 0.00 C ATOM 757 CD ARG A 49 5.050 1.229 9.328 1.00 0.00 C ATOM 758 NE ARG A 49 4.011 1.649 10.282 1.00 0.00 N ATOM 759 CZ ARG A 49 3.874 1.245 11.554 1.00 0.00 C ATOM 760 NH1 ARG A 49 4.677 0.330 12.083 1.00 0.00 N ATOM 761 NH2 ARG A 49 2.917 1.763 12.312 1.00 0.00 N ATOM 0 H ARG A 49 8.864 3.718 7.217 1.00 0.00 H new ATOM 0 HA ARG A 49 9.064 2.099 9.645 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.990 1.908 7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.410 0.515 8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.763 1.903 10.472 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.129 3.108 9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.671 1.335 8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.271 0.172 9.477 1.00 0.00 H new ATOM 0 HE ARG A 49 3.322 2.318 9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.420 -0.084 11.520 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.551 0.041 13.053 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.287 2.467 11.928 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.811 1.457 13.279 1.00 0.00 H new ATOM 775 N THR A 50 9.726 1.314 6.483 1.00 0.00 N ATOM 776 CA THR A 50 10.469 0.496 5.505 1.00 0.00 C ATOM 777 C THR A 50 9.909 -0.923 5.339 1.00 0.00 C ATOM 778 O THR A 50 10.331 -1.658 4.441 1.00 0.00 O ATOM 779 CB THR A 50 11.997 0.505 5.683 1.00 0.00 C ATOM 780 OG1 THR A 50 12.454 -0.184 6.828 1.00 0.00 O ATOM 781 CG2 THR A 50 12.564 1.921 5.673 1.00 0.00 C ATOM 0 H THR A 50 9.089 1.952 6.005 1.00 0.00 H new ATOM 0 HA THR A 50 10.293 1.010 4.560 1.00 0.00 H new ATOM 0 HB THR A 50 12.372 -0.041 4.817 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.796 -0.093 7.549 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.646 1.881 5.802 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.329 2.400 4.723 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.123 2.495 6.488 1.00 0.00 H new ATOM 789 N THR A 51 8.935 -1.279 6.167 1.00 0.00 N ATOM 790 CA THR A 51 8.166 -2.512 6.127 1.00 0.00 C ATOM 791 C THR A 51 7.197 -2.422 4.956 1.00 0.00 C ATOM 792 O THR A 51 7.124 -1.404 4.261 1.00 0.00 O ATOM 793 CB THR A 51 7.449 -2.661 7.488 1.00 0.00 C ATOM 794 OG1 THR A 51 6.518 -1.612 7.675 1.00 0.00 O ATOM 795 CG2 THR A 51 8.455 -2.567 8.644 1.00 0.00 C ATOM 0 H THR A 51 8.644 -0.673 6.934 1.00 0.00 H new ATOM 0 HA THR A 51 8.788 -3.394 5.976 1.00 0.00 H new ATOM 0 HB THR A 51 6.951 -3.631 7.483 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.071 -1.722 8.540 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.930 -2.674 9.593 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.196 -3.361 8.547 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.955 -1.599 8.613 1.00 0.00 H new ATOM 803 N VAL A 52 6.456 -3.488 4.711 1.00 0.00 N ATOM 804 CA VAL A 52 5.444 -3.507 3.668 1.00 0.00 C ATOM 805 C VAL A 52 4.198 -4.268 4.156 1.00 0.00 C ATOM 806 O VAL A 52 4.313 -5.118 5.046 1.00 0.00 O ATOM 807 CB VAL A 52 6.035 -4.158 2.408 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.839 -3.165 1.557 1.00 0.00 C ATOM 809 CG2 VAL A 52 6.846 -5.412 2.730 1.00 0.00 C ATOM 0 H VAL A 52 6.538 -4.364 5.228 1.00 0.00 H new ATOM 0 HA VAL A 52 5.139 -2.489 3.427 1.00 0.00 H new ATOM 0 HB VAL A 52 5.185 -4.475 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.235 -3.675 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.190 -2.349 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.664 -2.765 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.243 -5.836 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.670 -5.152 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.204 -6.145 3.219 1.00 0.00 H new ATOM 819 N PRO A 53 3.027 -4.044 3.531 1.00 0.00 N ATOM 820 CA PRO A 53 2.798 -3.051 2.489 1.00 0.00 C ATOM 821 C PRO A 53 2.794 -1.633 3.061 1.00 0.00 C ATOM 822 O PRO A 53 2.699 -1.445 4.270 1.00 0.00 O ATOM 823 CB PRO A 53 1.430 -3.392 1.895 1.00 0.00 C ATOM 824 CG PRO A 53 0.690 -4.004 3.079 1.00 0.00 C ATOM 825 CD PRO A 53 1.792 -4.734 3.846 1.00 0.00 C ATOM 0 HA PRO A 53 3.589 -3.076 1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.922 -2.506 1.515 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.513 -4.093 1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.212 -3.240 3.692 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.094 -4.688 2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.598 -4.715 4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.845 -5.782 3.550 1.00 0.00 H new ATOM 833 N GLN A 54 2.887 -0.639 2.183 1.00 0.00 N ATOM 834 CA GLN A 54 2.655 0.755 2.525 1.00 0.00 C ATOM 835 C GLN A 54 1.747 1.260 1.434 1.00 0.00 C ATOM 836 O GLN A 54 2.204 1.422 0.300 1.00 0.00 O ATOM 837 CB GLN A 54 3.918 1.620 2.593 1.00 0.00 C ATOM 838 CG GLN A 54 5.023 1.125 3.513 1.00 0.00 C ATOM 839 CD GLN A 54 4.647 1.023 4.983 1.00 0.00 C ATOM 840 OE1 GLN A 54 3.758 1.710 5.482 1.00 0.00 O ATOM 841 NE2 GLN A 54 5.406 0.227 5.701 1.00 0.00 N ATOM 0 H GLN A 54 3.129 -0.784 1.203 1.00 0.00 H new ATOM 0 HA GLN A 54 2.237 0.820 3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.326 1.711 1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.630 2.622 2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.347 0.143 3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.878 1.794 3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.134 -0.328 5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.268 0.163 6.710 1.00 0.00 H new ATOM 850 N ILE A 55 0.468 1.424 1.744 1.00 0.00 N ATOM 851 CA ILE A 55 -0.430 2.079 0.822 1.00 0.00 C ATOM 852 C ILE A 55 -0.213 3.578 1.010 1.00 0.00 C ATOM 853 O ILE A 55 -0.053 4.081 2.131 1.00 0.00 O ATOM 854 CB ILE A 55 -1.905 1.686 1.011 1.00 0.00 C ATOM 855 CG1 ILE A 55 -2.180 0.169 1.138 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.747 2.169 -0.182 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.776 -0.508 2.452 1.00 0.00 C ATOM 0 H ILE A 55 0.040 1.115 2.617 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.205 1.764 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.175 2.161 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.247 0.005 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.662 -0.338 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.788 1.883 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.677 3.254 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.374 1.713 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.025 -1.568 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.703 -0.393 2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.313 -0.045 3.280 1.00 0.00 H new ATOM 869 N PHE A 56 -0.257 4.279 -0.105 1.00 0.00 N ATOM 870 CA PHE A 56 -0.229 5.702 -0.261 1.00 0.00 C ATOM 871 C PHE A 56 -1.437 6.026 -1.133 1.00 0.00 C ATOM 872 O PHE A 56 -1.625 5.394 -2.173 1.00 0.00 O ATOM 873 CB PHE A 56 1.080 6.082 -0.945 1.00 0.00 C ATOM 874 CG PHE A 56 2.297 6.002 -0.046 1.00 0.00 C ATOM 875 CD1 PHE A 56 3.016 4.797 0.063 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.716 7.125 0.687 1.00 0.00 C ATOM 877 CE1 PHE A 56 4.114 4.699 0.934 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.807 7.019 1.565 1.00 0.00 C ATOM 879 CZ PHE A 56 4.475 5.795 1.736 1.00 0.00 C ATOM 0 H PHE A 56 -0.319 3.810 -1.009 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.277 6.251 0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.232 5.427 -1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.994 7.098 -1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.722 3.942 -0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.200 8.067 0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.681 3.781 0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.136 7.888 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.257 5.698 2.475 1.00 0.00 H new ATOM 889 N ILE A 57 -2.271 6.966 -0.702 1.00 0.00 N ATOM 890 CA ILE A 57 -3.445 7.411 -1.439 1.00 0.00 C ATOM 891 C ILE A 57 -3.219 8.889 -1.697 1.00 0.00 C ATOM 892 O ILE A 57 -3.329 9.709 -0.788 1.00 0.00 O ATOM 893 CB ILE A 57 -4.731 7.122 -0.642 1.00 0.00 C ATOM 894 CG1 ILE A 57 -4.944 5.596 -0.504 1.00 0.00 C ATOM 895 CG2 ILE A 57 -5.961 7.786 -1.280 1.00 0.00 C ATOM 896 CD1 ILE A 57 -6.183 5.183 0.302 1.00 0.00 C ATOM 0 H ILE A 57 -2.146 7.449 0.188 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.578 6.880 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.609 7.554 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.018 5.163 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.062 5.163 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.847 7.557 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.815 8.866 -1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.095 7.407 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.245 4.096 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.107 5.580 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.078 5.580 -0.177 1.00 0.00 H new ATOM 908 N ASP A 58 -2.874 9.237 -2.929 1.00 0.00 N ATOM 909 CA ASP A 58 -2.649 10.608 -3.361 1.00 0.00 C ATOM 910 C ASP A 58 -1.653 11.278 -2.410 1.00 0.00 C ATOM 911 O ASP A 58 -1.922 12.331 -1.823 1.00 0.00 O ATOM 912 CB ASP A 58 -3.982 11.359 -3.537 1.00 0.00 C ATOM 913 CG ASP A 58 -5.052 10.590 -4.308 1.00 0.00 C ATOM 914 OD1 ASP A 58 -4.698 9.921 -5.295 1.00 0.00 O ATOM 915 OD2 ASP A 58 -6.253 10.708 -3.971 1.00 0.00 O ATOM 0 H ASP A 58 -2.739 8.555 -3.675 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.193 10.629 -4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.374 11.611 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.788 12.300 -4.052 1.00 0.00 H new ATOM 920 N ALA A 59 -0.514 10.601 -2.218 1.00 0.00 N ATOM 921 CA ALA A 59 0.647 10.911 -1.387 1.00 0.00 C ATOM 922 C ALA A 59 0.438 10.669 0.104 1.00 0.00 C ATOM 923 O ALA A 59 1.406 10.656 0.868 1.00 0.00 O ATOM 924 CB ALA A 59 1.068 12.357 -1.619 1.00 0.00 C ATOM 0 H ALA A 59 -0.372 9.715 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 59 1.431 10.219 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.934 12.588 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.326 12.497 -2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.246 13.022 -1.356 1.00 0.00 H new ATOM 930 N GLN A 60 -0.805 10.481 0.522 1.00 0.00 N ATOM 931 CA GLN A 60 -1.192 10.328 1.909 1.00 0.00 C ATOM 932 C GLN A 60 -0.773 8.932 2.348 1.00 0.00 C ATOM 933 O GLN A 60 -1.332 7.942 1.872 1.00 0.00 O ATOM 934 CB GLN A 60 -2.701 10.540 1.985 1.00 0.00 C ATOM 935 CG GLN A 60 -3.246 10.948 3.348 1.00 0.00 C ATOM 936 CD GLN A 60 -4.762 11.097 3.247 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.501 10.540 4.058 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.253 11.803 2.236 1.00 0.00 N ATOM 0 H GLN A 60 -1.596 10.430 -0.120 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.714 11.048 2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.978 11.305 1.260 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.194 9.617 1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.989 10.199 4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.795 11.887 3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.621 12.256 1.576 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.262 11.892 2.119 1.00 0.00 H new ATOM 947 N HIS A 61 0.250 8.829 3.193 1.00 0.00 N ATOM 948 CA HIS A 61 0.692 7.545 3.710 1.00 0.00 C ATOM 949 C HIS A 61 -0.404 7.006 4.619 1.00 0.00 C ATOM 950 O HIS A 61 -0.626 7.557 5.697 1.00 0.00 O ATOM 951 CB HIS A 61 2.012 7.695 4.477 1.00 0.00 C ATOM 952 CG HIS A 61 2.504 6.395 5.067 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.186 6.288 6.262 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.293 5.132 4.573 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.360 4.977 6.506 1.00 0.00 C ATOM 956 NE2 HIS A 61 2.838 4.260 5.495 1.00 0.00 N ATOM 0 H HIS A 61 0.788 9.626 3.533 1.00 0.00 H new ATOM 0 HA HIS A 61 0.873 6.851 2.890 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.773 8.093 3.805 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.880 8.423 5.277 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.799 4.872 3.648 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.844 4.564 7.379 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.844 3.243 5.421 1.00 0.00 H new ATOM 965 N ILE A 62 -1.084 5.948 4.190 1.00 0.00 N ATOM 966 CA ILE A 62 -2.075 5.260 4.988 1.00 0.00 C ATOM 967 C ILE A 62 -1.314 4.455 6.039 1.00 0.00 C ATOM 968 O ILE A 62 -1.214 4.871 7.193 1.00 0.00 O ATOM 969 CB ILE A 62 -2.964 4.413 4.049 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.521 5.249 2.877 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.103 3.703 4.795 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.314 6.492 3.305 1.00 0.00 C ATOM 0 H ILE A 62 -0.955 5.543 3.263 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.755 5.930 5.514 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.314 3.641 3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.691 5.563 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.165 4.614 2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.695 3.123 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.684 3.037 5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.739 4.444 5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.668 7.020 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.167 6.188 3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.671 7.151 3.888 1.00 0.00 H new ATOM 984 N GLY A 63 -0.700 3.347 5.635 1.00 0.00 N ATOM 985 CA GLY A 63 -0.142 2.369 6.544 1.00 0.00 C ATOM 986 C GLY A 63 -0.149 1.024 5.836 1.00 0.00 C ATOM 987 O GLY A 63 0.055 0.981 4.619 1.00 0.00 O ATOM 0 H GLY A 63 -0.578 3.106 4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.873 2.646 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.728 2.321 7.462 1.00 0.00 H new ATOM 991 N GLY A 64 -0.361 -0.044 6.597 1.00 0.00 N ATOM 992 CA GLY A 64 -0.244 -1.426 6.154 1.00 0.00 C ATOM 993 C GLY A 64 -1.588 -2.002 5.715 1.00 0.00 C ATOM 994 O GLY A 64 -2.563 -1.268 5.544 1.00 0.00 O ATOM 0 H GLY A 64 -0.630 0.034 7.578 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.462 -1.483 5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.164 -2.033 6.963 1.00 0.00 H new ATOM 998 N TYR A 65 -1.657 -3.322 5.507 1.00 0.00 N ATOM 999 CA TYR A 65 -2.917 -3.965 5.142 1.00 0.00 C ATOM 1000 C TYR A 65 -3.942 -3.771 6.242 1.00 0.00 C ATOM 1001 O TYR A 65 -5.105 -3.547 5.938 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.771 -5.465 4.851 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.088 -6.230 4.871 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.080 -5.962 3.910 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.362 -7.154 5.896 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.284 -6.688 3.885 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.589 -7.841 5.919 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.543 -7.638 4.899 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.687 -8.374 4.891 1.00 0.00 O ATOM 0 H TYR A 65 -0.863 -3.957 5.585 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.247 -3.485 4.221 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.304 -5.592 3.874 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.096 -5.904 5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.914 -5.185 3.179 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.628 -7.336 6.667 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.004 -6.521 3.098 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.803 -8.529 6.723 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.323 -7.997 5.534 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.533 -3.865 7.501 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.475 -3.826 8.609 1.00 0.00 C ATOM 1021 C ASP A 66 -5.135 -2.439 8.665 1.00 0.00 C ATOM 1022 O ASP A 66 -6.341 -2.344 8.886 1.00 0.00 O ATOM 1023 CB ASP A 66 -3.713 -4.186 9.883 1.00 0.00 C ATOM 1024 CG ASP A 66 -4.478 -3.882 11.161 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -5.535 -4.516 11.378 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -3.922 -3.163 12.022 1.00 0.00 O ATOM 0 H ASP A 66 -2.557 -3.969 7.779 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.283 -4.547 8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.468 -5.248 9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.769 -3.641 9.897 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.376 -1.382 8.346 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.864 -0.003 8.223 1.00 0.00 C ATOM 1033 C ASP A 67 -5.836 0.123 7.053 1.00 0.00 C ATOM 1034 O ASP A 67 -6.880 0.764 7.159 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.705 0.976 7.939 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.746 1.206 9.094 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -3.067 2.006 9.999 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -1.635 0.631 9.039 1.00 0.00 O ATOM 0 H ASP A 67 -3.376 -1.466 8.161 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.351 0.240 9.168 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.137 0.602 7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.128 1.936 7.644 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.463 -0.455 5.911 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.182 -0.401 4.644 1.00 0.00 C ATOM 1045 C LEU A 68 -7.514 -1.130 4.739 1.00 0.00 C ATOM 1046 O LEU A 68 -8.550 -0.616 4.327 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.246 -1.025 3.590 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.711 -1.152 2.131 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.695 -2.295 1.881 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.246 0.175 1.602 1.00 0.00 C ATOM 0 H LEU A 68 -4.605 -1.002 5.845 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.432 0.623 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.325 -0.441 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.988 -2.026 3.937 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.818 -1.416 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.972 -2.313 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.228 -3.242 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.588 -2.146 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.567 0.052 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.093 0.494 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.461 0.929 1.651 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.494 -2.341 5.273 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.654 -3.178 5.453 1.00 0.00 C ATOM 1064 C TYR A 69 -9.607 -2.523 6.453 1.00 0.00 C ATOM 1065 O TYR A 69 -10.820 -2.604 6.266 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.152 -4.538 5.938 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.174 -5.647 6.051 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.108 -5.839 5.018 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.088 -6.592 7.089 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -10.965 -6.947 5.026 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -9.951 -7.703 7.104 1.00 0.00 C ATOM 1072 CZ TYR A 69 -10.923 -7.870 6.090 1.00 0.00 C ATOM 1073 OH TYR A 69 -11.811 -8.901 6.133 1.00 0.00 O ATOM 0 H TYR A 69 -6.633 -2.778 5.603 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.212 -3.309 4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.365 -4.870 5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.692 -4.400 6.917 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.165 -5.125 4.210 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.359 -6.465 7.875 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.661 -7.094 4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.871 -8.434 7.895 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.644 -9.444 6.932 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.076 -1.826 7.467 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.869 -1.032 8.388 1.00 0.00 C ATOM 1085 C ALA A 70 -10.474 0.189 7.676 1.00 0.00 C ATOM 1086 O ALA A 70 -11.649 0.510 7.881 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.972 -0.632 9.562 1.00 0.00 C ATOM 0 H ALA A 70 -8.076 -1.804 7.664 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.711 -1.612 8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.545 -0.033 10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.603 -1.529 10.060 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.128 -0.049 9.193 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.699 0.884 6.836 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.178 1.991 6.016 1.00 0.00 C ATOM 1095 C LEU A 71 -11.345 1.522 5.139 1.00 0.00 C ATOM 1096 O LEU A 71 -12.333 2.236 4.979 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.992 2.575 5.231 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.317 3.705 4.244 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -10.022 4.892 4.911 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -8.011 4.183 3.597 1.00 0.00 C ATOM 0 H LEU A 71 -8.707 0.686 6.708 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.577 2.799 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.259 2.947 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.516 1.765 4.678 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.004 3.307 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.227 5.660 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.960 4.556 5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.381 5.305 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.227 4.986 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.335 4.549 4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.542 3.353 3.068 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.270 0.303 4.600 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.356 -0.304 3.844 1.00 0.00 C ATOM 1114 C ASP A 72 -13.536 -0.706 4.726 1.00 0.00 C ATOM 1115 O ASP A 72 -14.687 -0.574 4.309 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.869 -1.522 3.058 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.958 -1.990 2.095 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.497 -1.143 1.351 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.292 -3.197 2.092 1.00 0.00 O ATOM 0 H ASP A 72 -10.445 -0.291 4.679 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.703 0.461 3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.965 -1.270 2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.608 -2.328 3.744 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.270 -1.135 5.964 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.289 -1.569 6.922 1.00 0.00 C ATOM 1126 C ALA A 73 -15.237 -0.424 7.259 1.00 0.00 C ATOM 1127 O ALA A 73 -16.427 -0.645 7.487 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.656 -2.082 8.225 1.00 0.00 C ATOM 0 H ALA A 73 -12.321 -1.191 6.334 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.842 -2.381 6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.442 -2.395 8.912 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.007 -2.930 8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.070 -1.285 8.683 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.717 0.806 7.290 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.485 2.032 7.509 1.00 0.00 C ATOM 1136 C ARG A 74 -15.986 2.654 6.217 1.00 0.00 C ATOM 1137 O ARG A 74 -16.513 3.761 6.264 1.00 0.00 O ATOM 1138 CB ARG A 74 -14.728 2.984 8.456 1.00 0.00 C ATOM 1139 CG ARG A 74 -13.498 3.729 7.922 1.00 0.00 C ATOM 1140 CD ARG A 74 -13.773 5.157 7.441 1.00 0.00 C ATOM 1141 NE ARG A 74 -12.514 5.914 7.350 1.00 0.00 N ATOM 1142 CZ ARG A 74 -12.352 7.164 6.904 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -13.362 7.834 6.360 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -11.159 7.742 6.990 1.00 0.00 N ATOM 0 H ARG A 74 -13.720 0.980 7.159 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.409 1.777 8.029 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.438 3.731 8.811 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.413 2.405 9.324 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.742 3.764 8.707 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.074 3.157 7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -14.262 5.133 6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.456 5.655 8.129 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.671 5.431 7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.279 7.395 6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.220 8.787 6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.373 7.232 7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.029 8.695 6.652 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.805 1.973 5.085 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.228 2.439 3.770 1.00 0.00 C ATOM 1160 C GLY A 75 -15.383 3.605 3.265 1.00 0.00 C ATOM 1161 O GLY A 75 -15.646 4.136 2.187 1.00 0.00 O ATOM 0 H GLY A 75 -15.349 1.061 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.167 1.615 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.273 2.744 3.815 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.349 3.994 4.013 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.557 5.176 3.759 1.00 0.00 C ATOM 1167 C GLY A 76 -12.604 4.985 2.583 1.00 0.00 C ATOM 1168 O GLY A 76 -12.097 5.974 2.057 1.00 0.00 O ATOM 0 H GLY A 76 -14.039 3.473 4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.218 6.019 3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.985 5.427 4.652 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.343 3.735 2.187 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.442 3.392 1.092 1.00 0.00 C ATOM 1174 C LEU A 77 -12.070 3.687 -0.265 1.00 0.00 C ATOM 1175 O LEU A 77 -11.396 4.182 -1.165 1.00 0.00 O ATOM 1176 CB LEU A 77 -11.078 1.900 1.182 1.00 0.00 C ATOM 1177 CG LEU A 77 -9.999 1.475 0.168 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.703 2.266 0.399 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -9.702 -0.020 0.303 1.00 0.00 C ATOM 0 H LEU A 77 -12.764 2.919 2.631 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.545 4.004 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.727 1.679 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.976 1.303 1.019 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.376 1.683 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.952 1.953 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.901 3.331 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.336 2.076 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.938 -0.306 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.345 -0.230 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.612 -0.590 0.114 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.360 3.390 -0.407 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.090 3.484 -1.671 1.00 0.00 C ATOM 1193 C ASP A 78 -13.935 4.859 -2.335 1.00 0.00 C ATOM 1194 O ASP A 78 -13.431 4.912 -3.459 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.573 3.147 -1.460 1.00 0.00 C ATOM 1196 CG ASP A 78 -15.893 1.757 -1.973 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -15.795 0.799 -1.176 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -16.290 1.620 -3.148 1.00 0.00 O ATOM 0 H ASP A 78 -13.940 3.071 0.369 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.653 2.753 -2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.817 3.212 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.193 3.880 -1.975 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.272 5.978 -1.662 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.154 7.326 -2.203 1.00 0.00 C ATOM 1205 C PRO A 79 -12.713 7.844 -2.159 1.00 0.00 C ATOM 1206 O PRO A 79 -12.497 9.058 -2.192 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.104 8.171 -1.360 1.00 0.00 C ATOM 1208 CG PRO A 79 -14.992 7.533 0.019 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.800 6.058 -0.307 1.00 0.00 C ATOM 0 HA PRO A 79 -14.417 7.363 -3.260 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.807 9.220 -1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.125 8.134 -1.741 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.151 7.935 0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.888 7.702 0.617 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.113 5.594 0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.746 5.522 -0.231 1.00 0.00 H new ATOM 1217 N LEU A 80 -11.721 6.975 -1.977 1.00 0.00 N ATOM 1218 CA LEU A 80 -10.314 7.319 -2.094 1.00 0.00 C ATOM 1219 C LEU A 80 -9.637 6.574 -3.244 1.00 0.00 C ATOM 1220 O LEU A 80 -8.572 7.010 -3.682 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.612 7.014 -0.769 1.00 0.00 C ATOM 1222 CG LEU A 80 -9.941 7.981 0.380 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.230 7.508 1.653 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -9.541 9.434 0.104 1.00 0.00 C ATOM 0 H LEU A 80 -11.880 5.996 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.237 8.383 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.877 6.003 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.535 7.025 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.025 7.969 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.459 8.190 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.571 6.505 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.153 7.493 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.806 10.053 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.466 9.489 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.067 9.794 -0.780 1.00 0.00 H new ATOM 1236 N LEU A 81 -10.220 5.483 -3.758 1.00 0.00 N ATOM 1237 CA LEU A 81 -9.603 4.654 -4.800 1.00 0.00 C ATOM 1238 C LEU A 81 -10.341 4.745 -6.133 1.00 0.00 C ATOM 1239 O LEU A 81 -10.131 3.906 -7.009 1.00 0.00 O ATOM 1240 CB LEU A 81 -9.456 3.193 -4.349 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.612 2.942 -3.086 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.069 1.515 -3.164 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -7.438 3.900 -2.861 1.00 0.00 C ATOM 0 H LEU A 81 -11.137 5.150 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.604 5.058 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.453 2.787 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.017 2.626 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.280 3.111 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.465 1.307 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.900 0.811 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.454 1.408 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.917 3.628 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.749 3.835 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.812 4.920 -2.777 1.00 0.00 H new