USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 599 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 Single : A 7 SER OG : rot 30:sc= 0.303 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.835 K(o=-0.83,f=-8.6!) USER MOD Single : A 17 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 18 MET CE :methyl -156:sc= -2.8 (180deg=-3.51!) USER MOD Single : A 24 SER OG : rot 3:sc= 0.451 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -1.9 K(o=-1.9,f=-6.5!) USER MOD Single : A 35 THR OG1 : rot -147:sc= -2.28! USER MOD Single : A 40 MET CE :methyl 157:sc= -0.15 (180deg=-0.824) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc=-0.00648 K(o=-0.0065,f=-2.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -75:sc= 1.29 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0676 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.00096) USER MOD Single : A 62 LYS NZ :NH3+ 137:sc= -0.693 (180deg=-2.58!) USER MOD Single : A 64 GLN : amide:sc= -0.0495 X(o=-0.05,f=-0.05) USER MOD Single : A 65 ASN : amide:sc= -0.0284 X(o=-0.028,f=-0.0025) USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0495) USER MOD Single : A 71 THR OG1 : rot 60:sc= 1.22 USER MOD Single : A 72 ASN : amide:sc= -0.108 K(o=-0.11,f=-7.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 -2.178 -18.062 -5.711 1.00 0.00 N ATOM 2 CA SER A 7 -3.289 -17.211 -5.362 1.00 0.00 C ATOM 3 C SER A 7 -4.051 -16.877 -6.631 1.00 0.00 C ATOM 4 O SER A 7 -3.447 -16.716 -7.684 1.00 0.00 O ATOM 5 CB SER A 7 -2.717 -15.959 -4.719 1.00 0.00 C ATOM 6 OG SER A 7 -1.836 -16.330 -3.669 1.00 0.00 O ATOM 0 HA SER A 7 -3.974 -17.694 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.185 -15.365 -5.462 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.522 -15.336 -4.330 1.00 0.00 H new ATOM 0 HG SER A 7 -1.425 -17.195 -3.877 1.00 0.00 H new ATOM 12 N GLY A 8 -5.362 -16.832 -6.551 1.00 0.00 N ATOM 13 CA GLY A 8 -6.156 -16.458 -7.678 1.00 0.00 C ATOM 14 C GLY A 8 -6.564 -15.031 -7.500 1.00 0.00 C ATOM 15 O GLY A 8 -6.604 -14.543 -6.365 1.00 0.00 O ATOM 0 H GLY A 8 -5.894 -17.053 -5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.590 -16.580 -8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.034 -17.099 -7.755 1.00 0.00 H new ATOM 19 N ARG A 9 -6.846 -14.357 -8.576 1.00 0.00 N ATOM 20 CA ARG A 9 -7.200 -12.959 -8.495 1.00 0.00 C ATOM 21 C ARG A 9 -8.695 -12.770 -8.551 1.00 0.00 C ATOM 22 O ARG A 9 -9.308 -12.790 -9.626 1.00 0.00 O ATOM 23 CB ARG A 9 -6.494 -12.077 -9.538 1.00 0.00 C ATOM 24 CG ARG A 9 -4.999 -11.873 -9.318 1.00 0.00 C ATOM 25 CD ARG A 9 -4.188 -13.128 -9.559 1.00 0.00 C ATOM 26 NE ARG A 9 -2.897 -13.041 -8.896 1.00 0.00 N ATOM 27 CZ ARG A 9 -1.989 -14.006 -8.838 1.00 0.00 C ATOM 28 NH1 ARG A 9 -2.082 -15.078 -9.629 1.00 0.00 N ATOM 29 NH2 ARG A 9 -0.975 -13.878 -7.993 1.00 0.00 N ATOM 0 H ARG A 9 -6.840 -14.745 -9.519 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.839 -12.621 -7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.642 -12.520 -10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.979 -11.101 -9.551 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.644 -11.085 -9.982 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.831 -11.529 -8.297 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.734 -13.996 -9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.044 -13.274 -10.630 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.670 -12.160 -8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.857 -15.161 -10.287 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.378 -15.814 -9.576 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.904 -13.049 -7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.266 -14.609 -7.933 1.00 0.00 H new ATOM 43 N GLU A 10 -9.277 -12.631 -7.383 1.00 0.00 N ATOM 44 CA GLU A 10 -10.697 -12.380 -7.245 1.00 0.00 C ATOM 45 C GLU A 10 -10.909 -10.939 -7.696 1.00 0.00 C ATOM 46 O GLU A 10 -9.976 -10.138 -7.590 1.00 0.00 O ATOM 47 CB GLU A 10 -11.112 -12.619 -5.778 1.00 0.00 C ATOM 48 CG GLU A 10 -12.611 -12.637 -5.518 1.00 0.00 C ATOM 49 CD GLU A 10 -12.960 -13.096 -4.112 1.00 0.00 C ATOM 50 OE1 GLU A 10 -12.905 -14.325 -3.833 1.00 0.00 O ATOM 51 OE2 GLU A 10 -13.335 -12.274 -3.261 1.00 0.00 O ATOM 0 H GLU A 10 -8.778 -12.689 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.314 -13.045 -7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.692 -13.570 -5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.663 -11.842 -5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.015 -11.638 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.092 -13.296 -6.240 1.00 0.00 H new ATOM 58 N ASN A 11 -12.074 -10.626 -8.251 1.00 0.00 N ATOM 59 CA ASN A 11 -12.336 -9.276 -8.760 1.00 0.00 C ATOM 60 C ASN A 11 -12.185 -8.266 -7.655 1.00 0.00 C ATOM 61 O ASN A 11 -12.958 -8.251 -6.700 1.00 0.00 O ATOM 62 CB ASN A 11 -13.694 -9.149 -9.454 1.00 0.00 C ATOM 63 CG ASN A 11 -13.729 -9.858 -10.793 1.00 0.00 C ATOM 64 OD1 ASN A 11 -13.404 -9.278 -11.823 1.00 0.00 O ATOM 65 ND2 ASN A 11 -14.126 -11.111 -10.803 1.00 0.00 N ATOM 0 H ASN A 11 -12.849 -11.279 -8.362 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.591 -9.072 -9.529 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -14.469 -9.561 -8.808 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.927 -8.094 -9.599 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -14.169 -11.625 -11.683 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.391 -11.569 -9.931 1.00 0.00 H new ATOM 72 N LEU A 12 -11.166 -7.448 -7.792 1.00 0.00 N ATOM 73 CA LEU A 12 -10.795 -6.539 -6.747 1.00 0.00 C ATOM 74 C LEU A 12 -11.730 -5.359 -6.646 1.00 0.00 C ATOM 75 O LEU A 12 -12.382 -4.947 -7.621 1.00 0.00 O ATOM 76 CB LEU A 12 -9.309 -6.124 -6.849 1.00 0.00 C ATOM 77 CG LEU A 12 -8.855 -5.308 -8.066 1.00 0.00 C ATOM 78 CD1 LEU A 12 -9.139 -3.815 -7.917 1.00 0.00 C ATOM 79 CD2 LEU A 12 -7.392 -5.563 -8.374 1.00 0.00 C ATOM 0 H LEU A 12 -10.580 -7.399 -8.625 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.902 -7.078 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.064 -5.550 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.709 -7.033 -6.818 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.449 -5.650 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.796 -3.289 -8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.211 -3.659 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.613 -3.430 -7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.094 -4.973 -9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.784 -5.278 -7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.244 -6.622 -8.588 1.00 0.00 H new ATOM 91 N TYR A 13 -11.764 -4.834 -5.466 1.00 0.00 N ATOM 92 CA TYR A 13 -12.546 -3.693 -5.093 1.00 0.00 C ATOM 93 C TYR A 13 -11.606 -2.835 -4.304 1.00 0.00 C ATOM 94 O TYR A 13 -10.716 -3.365 -3.634 1.00 0.00 O ATOM 95 CB TYR A 13 -13.755 -4.094 -4.231 1.00 0.00 C ATOM 96 CG TYR A 13 -14.717 -5.015 -4.944 1.00 0.00 C ATOM 97 CD1 TYR A 13 -14.782 -6.371 -4.641 1.00 0.00 C ATOM 98 CD2 TYR A 13 -15.539 -4.527 -5.944 1.00 0.00 C ATOM 99 CE1 TYR A 13 -15.643 -7.211 -5.321 1.00 0.00 C ATOM 100 CE2 TYR A 13 -16.403 -5.354 -6.621 1.00 0.00 C ATOM 101 CZ TYR A 13 -16.451 -6.694 -6.312 1.00 0.00 C ATOM 102 OH TYR A 13 -17.312 -7.521 -7.007 1.00 0.00 O ATOM 0 H TYR A 13 -11.218 -5.208 -4.690 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.955 -3.182 -5.965 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.400 -4.583 -3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.286 -3.194 -3.921 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.150 -6.773 -3.863 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -15.501 -3.478 -6.197 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.683 -8.263 -5.079 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -17.043 -4.953 -7.393 1.00 0.00 H new ATOM 0 HH TYR A 13 -17.808 -6.995 -7.669 1.00 0.00 H new ATOM 112 N PHE A 14 -11.754 -1.544 -4.379 1.00 0.00 N ATOM 113 CA PHE A 14 -10.829 -0.698 -3.683 1.00 0.00 C ATOM 114 C PHE A 14 -11.090 -0.715 -2.203 1.00 0.00 C ATOM 115 O PHE A 14 -12.207 -0.488 -1.730 1.00 0.00 O ATOM 116 CB PHE A 14 -10.677 0.677 -4.321 1.00 0.00 C ATOM 117 CG PHE A 14 -9.964 0.570 -5.644 1.00 0.00 C ATOM 118 CD1 PHE A 14 -10.633 0.165 -6.790 1.00 0.00 C ATOM 119 CD2 PHE A 14 -8.612 0.848 -5.734 1.00 0.00 C ATOM 120 CE1 PHE A 14 -9.968 0.042 -7.992 1.00 0.00 C ATOM 121 CE2 PHE A 14 -7.945 0.731 -6.933 1.00 0.00 C ATOM 122 CZ PHE A 14 -8.621 0.326 -8.064 1.00 0.00 C ATOM 0 H PHE A 14 -12.487 -1.063 -4.901 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.829 -1.117 -3.795 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.659 1.127 -4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.120 1.334 -3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.689 -0.057 -6.740 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.072 1.161 -4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.502 -0.276 -8.875 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.890 0.957 -6.987 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.097 0.231 -9.004 1.00 0.00 H new ATOM 132 N GLN A 15 -10.044 -1.086 -1.507 1.00 0.00 N ATOM 133 CA GLN A 15 -10.044 -1.329 -0.092 1.00 0.00 C ATOM 134 C GLN A 15 -10.350 -0.089 0.703 1.00 0.00 C ATOM 135 O GLN A 15 -9.835 0.998 0.418 1.00 0.00 O ATOM 136 CB GLN A 15 -8.708 -1.944 0.309 1.00 0.00 C ATOM 137 CG GLN A 15 -8.441 -3.248 -0.423 1.00 0.00 C ATOM 138 CD GLN A 15 -7.085 -3.842 -0.134 1.00 0.00 C ATOM 139 OE1 GLN A 15 -6.919 -4.619 0.796 1.00 0.00 O ATOM 140 NE2 GLN A 15 -6.107 -3.501 -0.939 1.00 0.00 N ATOM 0 H GLN A 15 -9.129 -1.232 -1.934 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.845 -2.031 0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.905 -1.238 0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.699 -2.123 1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.210 -3.971 -0.150 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.531 -3.077 -1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.280 -2.850 -1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.173 -3.887 -0.799 1.00 0.00 H new ATOM 149 N GLY A 16 -11.235 -0.278 1.660 1.00 0.00 N ATOM 150 CA GLY A 16 -11.642 0.759 2.585 1.00 0.00 C ATOM 151 C GLY A 16 -10.495 1.238 3.452 1.00 0.00 C ATOM 152 O GLY A 16 -9.400 0.680 3.375 1.00 0.00 O ATOM 0 H GLY A 16 -11.699 -1.172 1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.049 1.602 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.443 0.382 3.221 1.00 0.00 H new ATOM 156 N HIS A 17 -10.807 2.190 4.331 1.00 0.00 N ATOM 157 CA HIS A 17 -9.849 2.943 5.168 1.00 0.00 C ATOM 158 C HIS A 17 -8.581 2.187 5.538 1.00 0.00 C ATOM 159 O HIS A 17 -8.590 1.234 6.339 1.00 0.00 O ATOM 160 CB HIS A 17 -10.510 3.513 6.432 1.00 0.00 C ATOM 161 CG HIS A 17 -11.537 4.571 6.169 1.00 0.00 C ATOM 162 ND1 HIS A 17 -11.310 5.921 6.317 1.00 0.00 N ATOM 163 CD2 HIS A 17 -12.820 4.456 5.764 1.00 0.00 C ATOM 164 CE1 HIS A 17 -12.432 6.569 6.005 1.00 0.00 C ATOM 165 NE2 HIS A 17 -13.386 5.723 5.658 1.00 0.00 N ATOM 0 H HIS A 17 -11.773 2.476 4.493 1.00 0.00 H new ATOM 0 HA HIS A 17 -9.533 3.763 4.523 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.979 2.697 6.982 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.735 3.928 7.077 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.328 3.526 5.555 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -12.546 7.643 6.032 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -14.338 5.951 5.372 1.00 0.00 H new ATOM 173 N MET A 18 -7.502 2.619 4.918 1.00 0.00 N ATOM 174 CA MET A 18 -6.191 2.052 5.125 1.00 0.00 C ATOM 175 C MET A 18 -5.608 2.722 6.358 1.00 0.00 C ATOM 176 O MET A 18 -6.227 3.639 6.928 1.00 0.00 O ATOM 177 CB MET A 18 -5.268 2.339 3.935 1.00 0.00 C ATOM 178 CG MET A 18 -5.861 2.096 2.556 1.00 0.00 C ATOM 179 SD MET A 18 -6.402 0.403 2.199 1.00 0.00 S ATOM 180 CE MET A 18 -4.853 -0.450 1.943 1.00 0.00 C ATOM 0 H MET A 18 -7.515 3.386 4.246 1.00 0.00 H new ATOM 0 HA MET A 18 -6.273 0.971 5.240 1.00 0.00 H new ATOM 0 HB2 MET A 18 -4.947 3.379 3.992 1.00 0.00 H new ATOM 0 HB3 MET A 18 -4.374 1.724 4.038 1.00 0.00 H new ATOM 0 HG2 MET A 18 -6.715 2.762 2.429 1.00 0.00 H new ATOM 0 HG3 MET A 18 -5.120 2.382 1.810 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.021 -1.331 1.324 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.149 0.216 1.444 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.443 -0.756 2.905 1.00 0.00 H new ATOM 190 N ALA A 19 -4.428 2.318 6.734 1.00 0.00 N ATOM 191 CA ALA A 19 -3.782 2.814 7.933 1.00 0.00 C ATOM 192 C ALA A 19 -3.240 4.247 7.809 1.00 0.00 C ATOM 193 O ALA A 19 -3.360 4.913 6.763 1.00 0.00 O ATOM 194 CB ALA A 19 -2.705 1.851 8.357 1.00 0.00 C ATOM 0 H ALA A 19 -3.877 1.631 6.219 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.549 2.875 8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.219 2.223 9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.148 0.876 8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.968 1.756 7.560 1.00 0.00 H new ATOM 200 N ALA A 20 -2.680 4.716 8.899 1.00 0.00 N ATOM 201 CA ALA A 20 -2.148 6.063 9.029 1.00 0.00 C ATOM 202 C ALA A 20 -0.650 6.099 8.706 1.00 0.00 C ATOM 203 O ALA A 20 0.065 5.153 9.034 1.00 0.00 O ATOM 204 CB ALA A 20 -2.399 6.579 10.440 1.00 0.00 C ATOM 0 H ALA A 20 -2.576 4.159 9.747 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.658 6.708 8.313 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.999 7.589 10.535 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.471 6.593 10.637 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.907 5.925 11.160 1.00 0.00 H new ATOM 210 N PRO A 21 -0.174 7.177 8.026 1.00 0.00 N ATOM 211 CA PRO A 21 1.247 7.362 7.651 1.00 0.00 C ATOM 212 C PRO A 21 2.219 7.139 8.814 1.00 0.00 C ATOM 213 O PRO A 21 2.204 7.869 9.819 1.00 0.00 O ATOM 214 CB PRO A 21 1.286 8.810 7.183 1.00 0.00 C ATOM 215 CG PRO A 21 -0.069 9.040 6.630 1.00 0.00 C ATOM 216 CD PRO A 21 -1.001 8.305 7.542 1.00 0.00 C ATOM 0 HA PRO A 21 1.565 6.638 6.901 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.503 9.491 8.006 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.057 8.966 6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.306 10.104 6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.145 8.668 5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.343 8.936 8.363 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.890 7.957 7.015 1.00 0.00 H new ATOM 224 N ALA A 22 3.081 6.145 8.653 1.00 0.00 N ATOM 225 CA ALA A 22 3.957 5.702 9.721 1.00 0.00 C ATOM 226 C ALA A 22 5.378 5.448 9.243 1.00 0.00 C ATOM 227 O ALA A 22 6.076 4.582 9.767 1.00 0.00 O ATOM 228 CB ALA A 22 3.375 4.434 10.285 1.00 0.00 C ATOM 0 H ALA A 22 3.190 5.627 7.781 1.00 0.00 H new ATOM 0 HA ALA A 22 4.020 6.487 10.474 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.010 4.070 11.093 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.375 4.633 10.670 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.319 3.679 9.501 1.00 0.00 H new ATOM 234 N ARG A 23 5.806 6.220 8.265 1.00 0.00 N ATOM 235 CA ARG A 23 7.167 6.144 7.707 1.00 0.00 C ATOM 236 C ARG A 23 7.568 4.788 7.131 1.00 0.00 C ATOM 237 O ARG A 23 8.748 4.467 6.983 1.00 0.00 O ATOM 238 CB ARG A 23 8.228 6.738 8.638 1.00 0.00 C ATOM 239 CG ARG A 23 8.323 8.249 8.521 1.00 0.00 C ATOM 240 CD ARG A 23 8.918 8.643 7.169 1.00 0.00 C ATOM 241 NE ARG A 23 8.918 10.086 6.921 1.00 0.00 N ATOM 242 CZ ARG A 23 9.737 10.721 6.068 1.00 0.00 C ATOM 243 NH1 ARG A 23 10.814 10.107 5.573 1.00 0.00 N ATOM 244 NH2 ARG A 23 9.511 11.991 5.764 1.00 0.00 N ATOM 0 H ARG A 23 5.223 6.930 7.821 1.00 0.00 H new ATOM 0 HA ARG A 23 7.122 6.790 6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.994 6.470 9.668 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.198 6.297 8.407 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.333 8.692 8.633 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.942 8.644 9.327 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.942 8.274 7.112 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.356 8.148 6.377 1.00 0.00 H new ATOM 0 HE ARG A 23 8.244 10.652 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.022 9.145 5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.429 10.599 4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.718 12.481 6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.130 12.478 5.116 1.00 0.00 H new ATOM 258 N SER A 24 6.586 4.048 6.712 1.00 0.00 N ATOM 259 CA SER A 24 6.767 2.786 6.027 1.00 0.00 C ATOM 260 C SER A 24 5.505 2.495 5.242 1.00 0.00 C ATOM 261 O SER A 24 4.434 2.697 5.782 1.00 0.00 O ATOM 262 CB SER A 24 7.020 1.657 7.034 1.00 0.00 C ATOM 263 OG SER A 24 8.223 1.870 7.758 1.00 0.00 O ATOM 0 H SER A 24 5.607 4.305 6.836 1.00 0.00 H new ATOM 0 HA SER A 24 7.629 2.847 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.182 1.592 7.728 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.073 0.704 6.508 1.00 0.00 H new ATOM 0 HG SER A 24 8.620 2.724 7.488 1.00 0.00 H new ATOM 269 N CYS A 25 5.629 2.047 4.011 1.00 0.00 N ATOM 270 CA CYS A 25 4.501 1.650 3.215 1.00 0.00 C ATOM 271 C CYS A 25 4.599 0.151 3.164 1.00 0.00 C ATOM 272 O CYS A 25 5.668 -0.413 2.948 1.00 0.00 O ATOM 273 CB CYS A 25 4.529 2.239 1.798 1.00 0.00 C ATOM 274 SG CYS A 25 4.269 4.050 1.670 1.00 0.00 S ATOM 0 H CYS A 25 6.526 1.949 3.536 1.00 0.00 H new ATOM 0 HA CYS A 25 3.568 2.012 3.648 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.491 1.998 1.346 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.763 1.740 1.204 1.00 0.00 H new ATOM 279 N VAL A 26 3.518 -0.486 3.436 1.00 0.00 N ATOM 280 CA VAL A 26 3.480 -1.909 3.578 1.00 0.00 C ATOM 281 C VAL A 26 2.702 -2.450 2.425 1.00 0.00 C ATOM 282 O VAL A 26 1.574 -2.035 2.189 1.00 0.00 O ATOM 283 CB VAL A 26 2.803 -2.257 4.904 1.00 0.00 C ATOM 284 CG1 VAL A 26 3.062 -3.661 5.326 1.00 0.00 C ATOM 285 CG2 VAL A 26 3.282 -1.325 5.949 1.00 0.00 C ATOM 0 H VAL A 26 2.615 -0.031 3.570 1.00 0.00 H new ATOM 0 HA VAL A 26 4.481 -2.341 3.583 1.00 0.00 H new ATOM 0 HB VAL A 26 1.726 -2.159 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.558 -3.855 6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.683 -4.345 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.135 -3.812 5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.804 -1.566 6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.363 -1.419 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.032 -0.302 5.667 1.00 0.00 H new ATOM 295 N TYR A 27 3.320 -3.336 1.711 1.00 0.00 N ATOM 296 CA TYR A 27 2.768 -3.855 0.498 1.00 0.00 C ATOM 297 C TYR A 27 2.029 -5.136 0.766 1.00 0.00 C ATOM 298 O TYR A 27 2.525 -6.040 1.459 1.00 0.00 O ATOM 299 CB TYR A 27 3.857 -3.976 -0.581 1.00 0.00 C ATOM 300 CG TYR A 27 4.409 -2.614 -0.992 1.00 0.00 C ATOM 301 CD1 TYR A 27 5.167 -1.855 -0.112 1.00 0.00 C ATOM 302 CD2 TYR A 27 4.157 -2.078 -2.244 1.00 0.00 C ATOM 303 CE1 TYR A 27 5.653 -0.612 -0.449 1.00 0.00 C ATOM 304 CE2 TYR A 27 4.651 -0.831 -2.592 1.00 0.00 C ATOM 305 CZ TYR A 27 5.393 -0.103 -1.695 1.00 0.00 C ATOM 306 OH TYR A 27 5.865 1.142 -2.046 1.00 0.00 O ATOM 0 H TYR A 27 4.231 -3.724 1.955 1.00 0.00 H new ATOM 0 HA TYR A 27 2.030 -3.159 0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.670 -4.599 -0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.446 -4.480 -1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.383 -2.252 0.869 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.569 -2.638 -2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.234 -0.043 0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.451 -0.429 -3.574 1.00 0.00 H new ATOM 0 HH TYR A 27 5.591 1.349 -2.964 1.00 0.00 H new ATOM 316 N TYR A 28 0.830 -5.178 0.259 1.00 0.00 N ATOM 317 CA TYR A 28 -0.065 -6.268 0.439 1.00 0.00 C ATOM 318 C TYR A 28 -0.575 -6.751 -0.889 1.00 0.00 C ATOM 319 O TYR A 28 -0.626 -6.008 -1.860 1.00 0.00 O ATOM 320 CB TYR A 28 -1.306 -5.842 1.228 1.00 0.00 C ATOM 321 CG TYR A 28 -1.119 -5.441 2.673 1.00 0.00 C ATOM 322 CD1 TYR A 28 -0.700 -4.168 3.040 1.00 0.00 C ATOM 323 CD2 TYR A 28 -1.409 -6.343 3.682 1.00 0.00 C ATOM 324 CE1 TYR A 28 -0.580 -3.827 4.365 1.00 0.00 C ATOM 325 CE2 TYR A 28 -1.285 -6.009 5.003 1.00 0.00 C ATOM 326 CZ TYR A 28 -0.871 -4.747 5.337 1.00 0.00 C ATOM 327 OH TYR A 28 -0.775 -4.390 6.656 1.00 0.00 O ATOM 0 H TYR A 28 0.442 -4.425 -0.309 1.00 0.00 H new ATOM 0 HA TYR A 28 0.492 -7.041 0.968 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.764 -5.003 0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.020 -6.665 1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.467 -3.440 2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.742 -7.336 3.420 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.256 -2.834 4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.511 -6.732 5.773 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.016 -5.154 7.220 1.00 0.00 H new ATOM 337 N ASP A 29 -0.933 -7.993 -0.903 1.00 0.00 N ATOM 338 CA ASP A 29 -1.642 -8.603 -2.012 1.00 0.00 C ATOM 339 C ASP A 29 -3.087 -8.496 -1.604 1.00 0.00 C ATOM 340 O ASP A 29 -3.513 -9.181 -0.675 1.00 0.00 O ATOM 341 CB ASP A 29 -1.219 -10.064 -2.109 1.00 0.00 C ATOM 342 CG ASP A 29 -1.988 -10.942 -3.088 1.00 0.00 C ATOM 343 OD1 ASP A 29 -1.406 -11.348 -4.108 1.00 0.00 O ATOM 344 OD2 ASP A 29 -3.149 -11.324 -2.813 1.00 0.00 O ATOM 0 H ASP A 29 -0.743 -8.637 -0.135 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.449 -8.138 -2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.164 -10.094 -2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.303 -10.508 -1.117 1.00 0.00 H new ATOM 349 N GLY A 30 -3.814 -7.580 -2.182 1.00 0.00 N ATOM 350 CA GLY A 30 -5.171 -7.415 -1.748 1.00 0.00 C ATOM 351 C GLY A 30 -6.119 -7.070 -2.837 1.00 0.00 C ATOM 352 O GLY A 30 -5.934 -6.122 -3.590 1.00 0.00 O ATOM 0 H GLY A 30 -3.504 -6.957 -2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.503 -8.337 -1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.206 -6.633 -0.989 1.00 0.00 H new ATOM 356 N HIS A 31 -7.145 -7.855 -2.871 1.00 0.00 N ATOM 357 CA HIS A 31 -8.214 -7.732 -3.830 1.00 0.00 C ATOM 358 C HIS A 31 -9.408 -7.081 -3.147 1.00 0.00 C ATOM 359 O HIS A 31 -10.097 -6.243 -3.707 1.00 0.00 O ATOM 360 CB HIS A 31 -8.603 -9.127 -4.332 1.00 0.00 C ATOM 361 CG HIS A 31 -7.477 -9.885 -4.976 1.00 0.00 C ATOM 362 ND1 HIS A 31 -6.749 -10.869 -4.342 1.00 0.00 N ATOM 363 CD2 HIS A 31 -6.960 -9.790 -6.220 1.00 0.00 C ATOM 364 CE1 HIS A 31 -5.838 -11.330 -5.198 1.00 0.00 C ATOM 365 NE2 HIS A 31 -5.921 -10.709 -6.355 1.00 0.00 N ATOM 0 H HIS A 31 -7.275 -8.626 -2.216 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.895 -7.122 -4.675 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.985 -9.709 -3.494 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.417 -9.029 -5.050 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -6.884 -11.189 -3.383 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.298 -9.110 -6.988 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -5.126 -12.110 -4.972 1.00 0.00 H new ATOM 373 N LEU A 32 -9.634 -7.477 -1.922 1.00 0.00 N ATOM 374 CA LEU A 32 -10.705 -7.006 -1.118 1.00 0.00 C ATOM 375 C LEU A 32 -10.041 -6.638 0.217 1.00 0.00 C ATOM 376 O LEU A 32 -9.030 -7.257 0.560 1.00 0.00 O ATOM 377 CB LEU A 32 -11.695 -8.187 -1.060 1.00 0.00 C ATOM 378 CG LEU A 32 -13.055 -7.995 -0.416 1.00 0.00 C ATOM 379 CD1 LEU A 32 -13.995 -9.082 -0.897 1.00 0.00 C ATOM 380 CD2 LEU A 32 -12.980 -8.054 1.099 1.00 0.00 C ATOM 0 H LEU A 32 -9.047 -8.164 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.259 -6.134 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.863 -8.522 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.198 -9.003 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.419 -7.008 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.973 -8.947 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.093 -9.024 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.595 -10.058 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.976 -7.912 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.592 -9.025 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.318 -7.268 1.461 1.00 0.00 H new ATOM 392 N PRO A 33 -10.546 -5.633 0.969 1.00 0.00 N ATOM 393 CA PRO A 33 -9.932 -5.142 2.237 1.00 0.00 C ATOM 394 C PRO A 33 -9.670 -6.194 3.326 1.00 0.00 C ATOM 395 O PRO A 33 -8.960 -5.925 4.290 1.00 0.00 O ATOM 396 CB PRO A 33 -10.945 -4.111 2.750 1.00 0.00 C ATOM 397 CG PRO A 33 -12.195 -4.430 2.018 1.00 0.00 C ATOM 398 CD PRO A 33 -11.749 -4.847 0.654 1.00 0.00 C ATOM 0 HA PRO A 33 -8.933 -4.763 2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.084 -4.192 3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.614 -3.093 2.547 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.750 -5.227 2.513 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.856 -3.565 1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.504 -5.441 0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.525 -3.992 0.016 1.00 0.00 H new ATOM 406 N ALA A 34 -10.245 -7.363 3.190 1.00 0.00 N ATOM 407 CA ALA A 34 -10.043 -8.429 4.161 1.00 0.00 C ATOM 408 C ALA A 34 -8.931 -9.350 3.708 1.00 0.00 C ATOM 409 O ALA A 34 -8.253 -9.991 4.501 1.00 0.00 O ATOM 410 CB ALA A 34 -11.302 -9.257 4.268 1.00 0.00 C ATOM 0 H ALA A 34 -10.861 -7.609 2.415 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.789 -7.975 5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.152 -10.055 4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.128 -8.623 4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.536 -9.691 3.296 1.00 0.00 H new ATOM 416 N THR A 35 -8.731 -9.381 2.420 1.00 0.00 N ATOM 417 CA THR A 35 -7.872 -10.352 1.806 1.00 0.00 C ATOM 418 C THR A 35 -6.454 -9.842 1.581 1.00 0.00 C ATOM 419 O THR A 35 -5.652 -10.519 0.945 1.00 0.00 O ATOM 420 CB THR A 35 -8.514 -10.753 0.477 1.00 0.00 C ATOM 421 OG1 THR A 35 -9.829 -10.172 0.422 1.00 0.00 O ATOM 422 CG2 THR A 35 -8.684 -12.243 0.435 1.00 0.00 C ATOM 0 H THR A 35 -9.162 -8.730 1.764 1.00 0.00 H new ATOM 0 HA THR A 35 -7.772 -11.206 2.476 1.00 0.00 H new ATOM 0 HB THR A 35 -7.888 -10.416 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.429 -10.767 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.142 -12.530 -0.512 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.710 -12.723 0.528 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.324 -12.559 1.258 1.00 0.00 H new ATOM 430 N ARG A 36 -6.158 -8.665 2.105 1.00 0.00 N ATOM 431 CA ARG A 36 -4.828 -8.078 1.994 1.00 0.00 C ATOM 432 C ARG A 36 -3.779 -8.905 2.735 1.00 0.00 C ATOM 433 O ARG A 36 -3.773 -8.986 3.960 1.00 0.00 O ATOM 434 CB ARG A 36 -4.818 -6.582 2.370 1.00 0.00 C ATOM 435 CG ARG A 36 -5.677 -6.188 3.569 1.00 0.00 C ATOM 436 CD ARG A 36 -5.641 -4.679 3.803 1.00 0.00 C ATOM 437 NE ARG A 36 -6.864 -4.202 4.470 1.00 0.00 N ATOM 438 CZ ARG A 36 -7.218 -2.914 4.598 1.00 0.00 C ATOM 439 NH1 ARG A 36 -6.314 -1.959 4.513 1.00 0.00 N ATOM 440 NH2 ARG A 36 -8.472 -2.599 4.920 1.00 0.00 N ATOM 0 H ARG A 36 -6.827 -8.090 2.617 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.542 -8.112 0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.789 -6.285 2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.151 -6.008 1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.706 -6.508 3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.321 -6.705 4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.772 -4.426 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.523 -4.165 2.849 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.490 -4.904 4.865 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.336 -2.196 4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.593 -0.983 4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.161 -3.336 5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.743 -1.621 5.018 1.00 0.00 H new ATOM 454 N VAL A 37 -2.906 -9.525 1.968 1.00 0.00 N ATOM 455 CA VAL A 37 -1.889 -10.425 2.484 1.00 0.00 C ATOM 456 C VAL A 37 -0.622 -9.630 2.672 1.00 0.00 C ATOM 457 O VAL A 37 -0.206 -8.919 1.761 1.00 0.00 O ATOM 458 CB VAL A 37 -1.600 -11.592 1.505 1.00 0.00 C ATOM 459 CG1 VAL A 37 -0.623 -12.597 2.098 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.879 -12.285 1.078 1.00 0.00 C ATOM 0 H VAL A 37 -2.881 -9.418 0.954 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.244 -10.854 3.421 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.136 -11.156 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.446 -13.399 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.320 -12.098 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.041 -13.014 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.641 -13.098 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.385 -12.687 1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.532 -11.569 0.579 1.00 0.00 H new ATOM 470 N LEU A 38 -0.035 -9.740 3.839 1.00 0.00 N ATOM 471 CA LEU A 38 1.159 -9.001 4.193 1.00 0.00 C ATOM 472 C LEU A 38 2.339 -9.537 3.383 1.00 0.00 C ATOM 473 O LEU A 38 2.776 -10.670 3.582 1.00 0.00 O ATOM 474 CB LEU A 38 1.372 -9.150 5.718 1.00 0.00 C ATOM 475 CG LEU A 38 2.428 -8.288 6.439 1.00 0.00 C ATOM 476 CD1 LEU A 38 3.864 -8.610 6.046 1.00 0.00 C ATOM 477 CD2 LEU A 38 2.137 -6.821 6.231 1.00 0.00 C ATOM 0 H LEU A 38 -0.375 -10.352 4.581 1.00 0.00 H new ATOM 0 HA LEU A 38 1.065 -7.941 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.413 -8.957 6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.620 -10.194 5.910 1.00 0.00 H new ATOM 0 HG LEU A 38 2.348 -8.535 7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.546 -7.961 6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.082 -9.651 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.993 -8.448 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.890 -6.224 6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.159 -6.593 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.151 -6.585 6.632 1.00 0.00 H new ATOM 489 N LEU A 39 2.796 -8.760 2.421 1.00 0.00 N ATOM 490 CA LEU A 39 3.941 -9.150 1.625 1.00 0.00 C ATOM 491 C LEU A 39 5.233 -8.629 2.224 1.00 0.00 C ATOM 492 O LEU A 39 6.094 -9.399 2.641 1.00 0.00 O ATOM 493 CB LEU A 39 3.811 -8.642 0.189 1.00 0.00 C ATOM 494 CG LEU A 39 2.611 -9.144 -0.603 1.00 0.00 C ATOM 495 CD1 LEU A 39 2.600 -8.519 -1.981 1.00 0.00 C ATOM 496 CD2 LEU A 39 2.650 -10.656 -0.707 1.00 0.00 C ATOM 0 H LEU A 39 2.392 -7.857 2.173 1.00 0.00 H new ATOM 0 HA LEU A 39 3.968 -10.240 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.772 -7.553 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.716 -8.916 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 39 1.698 -8.856 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.738 -8.884 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.539 -7.435 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.515 -8.787 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.787 -11.004 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.565 -10.962 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.625 -11.090 0.292 1.00 0.00 H new ATOM 508 N MET A 40 5.339 -7.315 2.322 1.00 0.00 N ATOM 509 CA MET A 40 6.582 -6.699 2.743 1.00 0.00 C ATOM 510 C MET A 40 6.359 -5.313 3.338 1.00 0.00 C ATOM 511 O MET A 40 5.500 -4.564 2.876 1.00 0.00 O ATOM 512 CB MET A 40 7.475 -6.540 1.504 1.00 0.00 C ATOM 513 CG MET A 40 8.831 -5.907 1.776 1.00 0.00 C ATOM 514 SD MET A 40 9.908 -6.951 2.771 1.00 0.00 S ATOM 515 CE MET A 40 10.147 -8.321 1.637 1.00 0.00 C ATOM 0 H MET A 40 4.585 -6.660 2.117 1.00 0.00 H new ATOM 0 HA MET A 40 7.037 -7.332 3.505 1.00 0.00 H new ATOM 0 HB2 MET A 40 7.630 -7.522 1.056 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.947 -5.934 0.768 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.321 -5.689 0.827 1.00 0.00 H new ATOM 0 HG3 MET A 40 8.685 -4.955 2.286 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.069 -8.845 1.888 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.306 -9.010 1.716 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.211 -7.942 0.617 1.00 0.00 H new ATOM 525 N TYR A 41 7.134 -4.990 4.352 1.00 0.00 N ATOM 526 CA TYR A 41 7.177 -3.654 4.921 1.00 0.00 C ATOM 527 C TYR A 41 8.306 -2.904 4.230 1.00 0.00 C ATOM 528 O TYR A 41 9.429 -3.410 4.171 1.00 0.00 O ATOM 529 CB TYR A 41 7.470 -3.693 6.427 1.00 0.00 C ATOM 530 CG TYR A 41 6.381 -4.265 7.310 1.00 0.00 C ATOM 531 CD1 TYR A 41 5.477 -3.426 7.942 1.00 0.00 C ATOM 532 CD2 TYR A 41 6.267 -5.627 7.539 1.00 0.00 C ATOM 533 CE1 TYR A 41 4.497 -3.925 8.774 1.00 0.00 C ATOM 534 CE2 TYR A 41 5.282 -6.129 8.367 1.00 0.00 C ATOM 535 CZ TYR A 41 4.400 -5.269 8.983 1.00 0.00 C ATOM 536 OH TYR A 41 3.419 -5.751 9.821 1.00 0.00 O ATOM 0 H TYR A 41 7.759 -5.652 4.811 1.00 0.00 H new ATOM 0 HA TYR A 41 6.211 -3.171 4.776 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.378 -4.276 6.583 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.682 -2.677 6.760 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.541 -2.360 7.780 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.959 -6.306 7.063 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.807 -3.252 9.260 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.204 -7.194 8.531 1.00 0.00 H new ATOM 0 HH TYR A 41 3.479 -6.728 9.867 1.00 0.00 H new ATOM 546 N VAL A 42 8.012 -1.753 3.662 1.00 0.00 N ATOM 547 CA VAL A 42 9.021 -0.944 3.002 1.00 0.00 C ATOM 548 C VAL A 42 9.111 0.397 3.702 1.00 0.00 C ATOM 549 O VAL A 42 8.132 1.136 3.739 1.00 0.00 O ATOM 550 CB VAL A 42 8.687 -0.715 1.518 1.00 0.00 C ATOM 551 CG1 VAL A 42 9.823 0.015 0.811 1.00 0.00 C ATOM 552 CG2 VAL A 42 8.407 -2.038 0.844 1.00 0.00 C ATOM 0 H VAL A 42 7.074 -1.352 3.643 1.00 0.00 H new ATOM 0 HA VAL A 42 9.971 -1.475 3.056 1.00 0.00 H new ATOM 0 HB VAL A 42 7.796 -0.090 1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.563 0.165 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.986 0.982 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.734 -0.579 0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.171 -1.868 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.286 -2.678 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.562 -2.523 1.332 1.00 0.00 H new ATOM 562 N ARG A 43 10.249 0.705 4.285 1.00 0.00 N ATOM 563 CA ARG A 43 10.437 1.965 4.966 1.00 0.00 C ATOM 564 C ARG A 43 10.420 3.081 3.932 1.00 0.00 C ATOM 565 O ARG A 43 10.900 2.903 2.808 1.00 0.00 O ATOM 566 CB ARG A 43 11.788 1.997 5.673 1.00 0.00 C ATOM 567 CG ARG A 43 12.018 3.245 6.506 1.00 0.00 C ATOM 568 CD ARG A 43 13.494 3.472 6.717 1.00 0.00 C ATOM 569 NE ARG A 43 13.767 4.647 7.548 1.00 0.00 N ATOM 570 CZ ARG A 43 14.353 5.779 7.124 1.00 0.00 C ATOM 571 NH1 ARG A 43 14.525 6.010 5.826 1.00 0.00 N ATOM 572 NH2 ARG A 43 14.702 6.706 7.999 1.00 0.00 N ATOM 0 H ARG A 43 11.065 0.093 4.300 1.00 0.00 H new ATOM 0 HA ARG A 43 9.642 2.091 5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.870 1.122 6.318 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.579 1.919 4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.578 4.109 6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.518 3.144 7.469 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.931 2.590 7.186 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.982 3.594 5.750 1.00 0.00 H new ATOM 0 HE ARG A 43 13.490 4.602 8.529 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.211 5.324 5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.971 6.873 5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.526 6.561 8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.147 7.567 7.680 1.00 0.00 H new ATOM 586 N ILE A 44 9.873 4.209 4.312 1.00 0.00 N ATOM 587 CA ILE A 44 9.847 5.377 3.431 1.00 0.00 C ATOM 588 C ILE A 44 11.279 5.828 3.213 1.00 0.00 C ATOM 589 O ILE A 44 12.034 6.053 4.162 1.00 0.00 O ATOM 590 CB ILE A 44 9.043 6.584 3.989 1.00 0.00 C ATOM 591 CG1 ILE A 44 7.602 6.213 4.323 1.00 0.00 C ATOM 592 CG2 ILE A 44 9.078 7.779 3.045 1.00 0.00 C ATOM 593 CD1 ILE A 44 6.699 5.735 3.218 1.00 0.00 C ATOM 0 H ILE A 44 9.437 4.355 5.222 1.00 0.00 H new ATOM 0 HA ILE A 44 9.348 5.067 2.513 1.00 0.00 H new ATOM 0 HB ILE A 44 9.537 6.872 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.630 5.434 5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.134 7.086 4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.503 8.599 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.110 8.097 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.645 7.497 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.712 5.514 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.613 6.511 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.117 4.833 2.771 1.00 0.00 H new ATOM 605 N GLY A 45 11.639 5.888 1.971 1.00 0.00 N ATOM 606 CA GLY A 45 12.953 6.319 1.569 1.00 0.00 C ATOM 607 C GLY A 45 13.773 5.139 1.125 1.00 0.00 C ATOM 608 O GLY A 45 14.970 5.252 0.852 1.00 0.00 O ATOM 0 H GLY A 45 11.028 5.638 1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.874 7.042 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.448 6.824 2.399 1.00 0.00 H new ATOM 612 N ASN A 46 13.129 3.999 1.043 1.00 0.00 N ATOM 613 CA ASN A 46 13.795 2.778 0.669 1.00 0.00 C ATOM 614 C ASN A 46 13.059 2.109 -0.465 1.00 0.00 C ATOM 615 O ASN A 46 11.888 2.393 -0.734 1.00 0.00 O ATOM 616 CB ASN A 46 13.891 1.855 1.876 1.00 0.00 C ATOM 617 CG ASN A 46 14.656 0.555 1.660 1.00 0.00 C ATOM 618 OD1 ASN A 46 15.594 0.496 0.859 1.00 0.00 O ATOM 619 ND2 ASN A 46 14.281 -0.486 2.370 1.00 0.00 N ATOM 0 H ASN A 46 12.132 3.894 1.233 1.00 0.00 H new ATOM 0 HA ASN A 46 14.804 3.008 0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.365 2.402 2.691 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.881 1.609 2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.769 -1.376 2.268 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.502 -0.404 3.023 1.00 0.00 H new ATOM 626 N THR A 47 13.764 1.258 -1.135 1.00 0.00 N ATOM 627 CA THR A 47 13.236 0.480 -2.207 1.00 0.00 C ATOM 628 C THR A 47 13.183 -0.955 -1.749 1.00 0.00 C ATOM 629 O THR A 47 13.957 -1.358 -0.875 1.00 0.00 O ATOM 630 CB THR A 47 14.118 0.565 -3.457 1.00 0.00 C ATOM 631 OG1 THR A 47 15.465 0.200 -3.133 1.00 0.00 O ATOM 632 CG2 THR A 47 14.094 1.948 -4.093 1.00 0.00 C ATOM 0 H THR A 47 14.750 1.080 -0.947 1.00 0.00 H new ATOM 0 HA THR A 47 12.248 0.861 -2.467 1.00 0.00 H new ATOM 0 HB THR A 47 13.710 -0.134 -4.187 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.022 0.255 -3.938 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.735 1.954 -4.975 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.074 2.197 -4.385 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.456 2.685 -3.376 1.00 0.00 H new ATOM 640 N ALA A 48 12.308 -1.718 -2.324 1.00 0.00 N ATOM 641 CA ALA A 48 12.192 -3.104 -1.933 1.00 0.00 C ATOM 642 C ALA A 48 11.801 -3.992 -3.082 1.00 0.00 C ATOM 643 O ALA A 48 10.835 -3.727 -3.796 1.00 0.00 O ATOM 644 CB ALA A 48 11.232 -3.302 -0.774 1.00 0.00 C ATOM 0 H ALA A 48 11.666 -1.418 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 48 13.188 -3.396 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.182 -4.361 -0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.583 -2.738 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.241 -2.950 -1.058 1.00 0.00 H new ATOM 650 N THR A 49 12.625 -4.979 -3.282 1.00 0.00 N ATOM 651 CA THR A 49 12.423 -6.063 -4.203 1.00 0.00 C ATOM 652 C THR A 49 11.256 -6.929 -3.705 1.00 0.00 C ATOM 653 O THR A 49 11.413 -7.734 -2.784 1.00 0.00 O ATOM 654 CB THR A 49 13.710 -6.902 -4.176 1.00 0.00 C ATOM 655 OG1 THR A 49 14.831 -6.005 -4.141 1.00 0.00 O ATOM 656 CG2 THR A 49 13.817 -7.794 -5.400 1.00 0.00 C ATOM 0 H THR A 49 13.508 -5.054 -2.778 1.00 0.00 H new ATOM 0 HA THR A 49 12.200 -5.700 -5.206 1.00 0.00 H new ATOM 0 HB THR A 49 13.695 -7.544 -3.295 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.959 -5.607 -5.027 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.739 -8.373 -5.349 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.964 -8.472 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.825 -7.178 -6.299 1.00 0.00 H new ATOM 664 N ILE A 50 10.094 -6.734 -4.275 1.00 0.00 N ATOM 665 CA ILE A 50 8.915 -7.487 -3.868 1.00 0.00 C ATOM 666 C ILE A 50 8.754 -8.648 -4.801 1.00 0.00 C ATOM 667 O ILE A 50 8.454 -8.453 -5.956 1.00 0.00 O ATOM 668 CB ILE A 50 7.614 -6.650 -4.018 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.732 -5.290 -3.344 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.393 -7.407 -3.486 1.00 0.00 C ATOM 671 CD1 ILE A 50 8.007 -5.367 -1.872 1.00 0.00 C ATOM 0 H ILE A 50 9.930 -6.061 -5.024 1.00 0.00 H new ATOM 0 HA ILE A 50 9.056 -7.779 -2.827 1.00 0.00 H new ATOM 0 HB ILE A 50 7.472 -6.482 -5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.531 -4.725 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.808 -4.734 -3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.502 -6.791 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.270 -8.336 -4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.537 -7.633 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.078 -4.360 -1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.197 -5.904 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.946 -5.894 -1.704 1.00 0.00 H new ATOM 683 N THR A 51 8.968 -9.838 -4.348 1.00 0.00 N ATOM 684 CA THR A 51 8.710 -10.940 -5.217 1.00 0.00 C ATOM 685 C THR A 51 7.281 -11.395 -4.951 1.00 0.00 C ATOM 686 O THR A 51 6.915 -11.672 -3.810 1.00 0.00 O ATOM 687 CB THR A 51 9.698 -12.075 -4.946 1.00 0.00 C ATOM 688 OG1 THR A 51 11.020 -11.506 -4.888 1.00 0.00 O ATOM 689 CG2 THR A 51 9.650 -13.109 -6.066 1.00 0.00 C ATOM 0 H THR A 51 9.309 -10.070 -3.415 1.00 0.00 H new ATOM 0 HA THR A 51 8.831 -10.648 -6.260 1.00 0.00 H new ATOM 0 HB THR A 51 9.440 -12.569 -4.009 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.674 -12.215 -4.713 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.360 -13.908 -5.854 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.645 -13.525 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.910 -12.633 -7.012 1.00 0.00 H new ATOM 697 N ALA A 52 6.489 -11.423 -5.988 1.00 0.00 N ATOM 698 CA ALA A 52 5.127 -11.875 -5.920 1.00 0.00 C ATOM 699 C ALA A 52 4.840 -12.575 -7.220 1.00 0.00 C ATOM 700 O ALA A 52 5.042 -11.999 -8.293 1.00 0.00 O ATOM 701 CB ALA A 52 4.164 -10.714 -5.689 1.00 0.00 C ATOM 0 H ALA A 52 6.778 -11.127 -6.920 1.00 0.00 H new ATOM 0 HA ALA A 52 4.987 -12.552 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.143 -11.092 -5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.410 -10.218 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.250 -10.001 -6.509 1.00 0.00 H new ATOM 707 N ARG A 53 4.458 -13.839 -7.116 1.00 0.00 N ATOM 708 CA ARG A 53 4.161 -14.710 -8.226 1.00 0.00 C ATOM 709 C ARG A 53 5.412 -14.869 -9.115 1.00 0.00 C ATOM 710 O ARG A 53 5.360 -15.055 -10.334 1.00 0.00 O ATOM 711 CB ARG A 53 2.952 -14.203 -9.000 1.00 0.00 C ATOM 712 CG ARG A 53 2.466 -15.265 -9.922 1.00 0.00 C ATOM 713 CD ARG A 53 1.347 -14.810 -10.824 1.00 0.00 C ATOM 714 NE ARG A 53 0.909 -15.897 -11.695 1.00 0.00 N ATOM 715 CZ ARG A 53 -0.057 -15.823 -12.607 1.00 0.00 C ATOM 716 NH1 ARG A 53 -0.725 -14.690 -12.806 1.00 0.00 N ATOM 717 NH2 ARG A 53 -0.357 -16.897 -13.315 1.00 0.00 N ATOM 0 H ARG A 53 4.344 -14.299 -6.213 1.00 0.00 H new ATOM 0 HA ARG A 53 3.897 -15.699 -7.853 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.159 -13.917 -8.309 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.218 -13.310 -9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.298 -15.612 -10.535 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.125 -16.118 -9.335 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.508 -14.460 -10.222 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.681 -13.966 -11.428 1.00 0.00 H new ATOM 0 HE ARG A 53 1.386 -16.793 -11.595 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.499 -13.861 -12.256 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.463 -14.650 -13.509 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.150 -17.768 -13.159 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.095 -16.855 -14.018 1.00 0.00 H new ATOM 731 N GLY A 54 6.545 -14.803 -8.465 1.00 0.00 N ATOM 732 CA GLY A 54 7.816 -14.956 -9.141 1.00 0.00 C ATOM 733 C GLY A 54 8.321 -13.685 -9.799 1.00 0.00 C ATOM 734 O GLY A 54 9.411 -13.679 -10.369 1.00 0.00 O ATOM 0 H GLY A 54 6.618 -14.643 -7.460 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.559 -15.301 -8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.721 -15.733 -9.900 1.00 0.00 H new ATOM 738 N HIS A 55 7.558 -12.614 -9.728 1.00 0.00 N ATOM 739 CA HIS A 55 7.988 -11.353 -10.312 1.00 0.00 C ATOM 740 C HIS A 55 8.526 -10.489 -9.209 1.00 0.00 C ATOM 741 O HIS A 55 7.908 -10.406 -8.150 1.00 0.00 O ATOM 742 CB HIS A 55 6.828 -10.569 -10.953 1.00 0.00 C ATOM 743 CG HIS A 55 6.069 -11.248 -12.049 1.00 0.00 C ATOM 744 ND1 HIS A 55 6.310 -11.049 -13.391 1.00 0.00 N ATOM 745 CD2 HIS A 55 5.014 -12.089 -11.982 1.00 0.00 C ATOM 746 CE1 HIS A 55 5.414 -11.748 -14.083 1.00 0.00 C ATOM 747 NE2 HIS A 55 4.598 -12.401 -13.273 1.00 0.00 N ATOM 0 H HIS A 55 6.644 -12.587 -9.276 1.00 0.00 H new ATOM 0 HA HIS A 55 8.725 -11.586 -11.081 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.122 -10.306 -10.165 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.228 -9.635 -11.347 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.565 -12.460 -11.072 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.360 -11.778 -15.161 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.823 -13.008 -13.539 1.00 0.00 H new ATOM 755 N GLU A 56 9.671 -9.881 -9.414 1.00 0.00 N ATOM 756 CA GLU A 56 10.144 -8.924 -8.464 1.00 0.00 C ATOM 757 C GLU A 56 9.648 -7.570 -8.909 1.00 0.00 C ATOM 758 O GLU A 56 9.779 -7.204 -10.083 1.00 0.00 O ATOM 759 CB GLU A 56 11.664 -8.831 -8.341 1.00 0.00 C ATOM 760 CG GLU A 56 12.399 -10.055 -7.832 1.00 0.00 C ATOM 761 CD GLU A 56 12.580 -11.118 -8.876 1.00 0.00 C ATOM 762 OE1 GLU A 56 12.854 -10.776 -10.044 1.00 0.00 O ATOM 763 OE2 GLU A 56 12.533 -12.312 -8.545 1.00 0.00 O ATOM 0 H GLU A 56 10.278 -10.034 -10.219 1.00 0.00 H new ATOM 0 HA GLU A 56 9.773 -9.243 -7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.067 -8.580 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.898 -7.998 -7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.377 -9.753 -7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.851 -10.474 -6.988 1.00 0.00 H new ATOM 770 N PHE A 57 9.055 -6.857 -8.006 1.00 0.00 N ATOM 771 CA PHE A 57 8.636 -5.528 -8.243 1.00 0.00 C ATOM 772 C PHE A 57 9.511 -4.707 -7.345 1.00 0.00 C ATOM 773 O PHE A 57 9.347 -4.755 -6.134 1.00 0.00 O ATOM 774 CB PHE A 57 7.173 -5.342 -7.830 1.00 0.00 C ATOM 775 CG PHE A 57 6.171 -6.212 -8.537 1.00 0.00 C ATOM 776 CD1 PHE A 57 5.567 -5.783 -9.706 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.812 -7.444 -8.015 1.00 0.00 C ATOM 778 CE1 PHE A 57 4.623 -6.565 -10.339 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.874 -8.231 -8.648 1.00 0.00 C ATOM 780 CZ PHE A 57 4.277 -7.793 -9.809 1.00 0.00 C ATOM 0 H PHE A 57 8.848 -7.196 -7.067 1.00 0.00 H new ATOM 0 HA PHE A 57 8.712 -5.253 -9.295 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.093 -5.527 -6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.900 -4.300 -7.995 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.837 -4.826 -10.127 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.272 -7.792 -7.102 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.155 -6.217 -11.248 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.607 -9.192 -8.233 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.540 -8.408 -10.304 1.00 0.00 H new ATOM 790 N GLU A 58 10.504 -4.059 -7.890 1.00 0.00 N ATOM 791 CA GLU A 58 11.335 -3.233 -7.052 1.00 0.00 C ATOM 792 C GLU A 58 10.559 -1.938 -6.882 1.00 0.00 C ATOM 793 O GLU A 58 10.384 -1.157 -7.833 1.00 0.00 O ATOM 794 CB GLU A 58 12.692 -2.989 -7.712 1.00 0.00 C ATOM 795 CG GLU A 58 13.742 -2.293 -6.845 1.00 0.00 C ATOM 796 CD GLU A 58 14.393 -3.162 -5.803 1.00 0.00 C ATOM 797 OE1 GLU A 58 14.757 -4.321 -6.094 1.00 0.00 O ATOM 798 OE2 GLU A 58 14.646 -2.671 -4.683 1.00 0.00 O ATOM 0 H GLU A 58 10.754 -4.082 -8.879 1.00 0.00 H new ATOM 0 HA GLU A 58 11.548 -3.701 -6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.095 -3.949 -8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.535 -2.390 -8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.518 -1.891 -7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.273 -1.445 -6.346 1.00 0.00 H new ATOM 805 N VAL A 59 10.064 -1.724 -5.701 1.00 0.00 N ATOM 806 CA VAL A 59 9.245 -0.569 -5.436 1.00 0.00 C ATOM 807 C VAL A 59 10.101 0.491 -4.817 1.00 0.00 C ATOM 808 O VAL A 59 11.155 0.194 -4.261 1.00 0.00 O ATOM 809 CB VAL A 59 8.063 -0.871 -4.477 1.00 0.00 C ATOM 810 CG1 VAL A 59 7.201 -2.024 -4.957 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.554 -1.130 -3.079 1.00 0.00 C ATOM 0 H VAL A 59 10.211 -2.335 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 59 8.820 -0.246 -6.386 1.00 0.00 H new ATOM 0 HB VAL A 59 7.435 0.020 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.390 -2.191 -4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.785 -1.784 -5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.809 -2.926 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.705 -1.339 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.228 -1.987 -3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.086 -0.252 -2.712 1.00 0.00 H new ATOM 821 N GLU A 60 9.673 1.701 -4.951 1.00 0.00 N ATOM 822 CA GLU A 60 10.328 2.805 -4.346 1.00 0.00 C ATOM 823 C GLU A 60 9.318 3.487 -3.480 1.00 0.00 C ATOM 824 O GLU A 60 8.440 4.204 -3.978 1.00 0.00 O ATOM 825 CB GLU A 60 10.851 3.736 -5.427 1.00 0.00 C ATOM 826 CG GLU A 60 11.638 4.947 -4.979 1.00 0.00 C ATOM 827 CD GLU A 60 12.239 5.639 -6.177 1.00 0.00 C ATOM 828 OE1 GLU A 60 11.613 6.544 -6.755 1.00 0.00 O ATOM 829 OE2 GLU A 60 13.349 5.258 -6.597 1.00 0.00 O ATOM 0 H GLU A 60 8.846 1.952 -5.492 1.00 0.00 H new ATOM 0 HA GLU A 60 11.182 2.492 -3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.482 3.153 -6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.000 4.084 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.988 5.635 -4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.426 4.645 -4.289 1.00 0.00 H new ATOM 836 N ALA A 61 9.382 3.226 -2.199 1.00 0.00 N ATOM 837 CA ALA A 61 8.490 3.924 -1.322 1.00 0.00 C ATOM 838 C ALA A 61 9.178 5.227 -1.028 1.00 0.00 C ATOM 839 O ALA A 61 9.955 5.353 -0.090 1.00 0.00 O ATOM 840 CB ALA A 61 8.195 3.147 -0.046 1.00 0.00 C ATOM 0 H ALA A 61 10.017 2.562 -1.757 1.00 0.00 H new ATOM 0 HA ALA A 61 7.514 4.067 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.514 3.723 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.735 2.192 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.124 2.969 0.495 1.00 0.00 H new ATOM 846 N LYS A 62 8.934 6.158 -1.907 1.00 0.00 N ATOM 847 CA LYS A 62 9.538 7.470 -1.842 1.00 0.00 C ATOM 848 C LYS A 62 8.971 8.332 -0.731 1.00 0.00 C ATOM 849 O LYS A 62 9.712 9.036 -0.042 1.00 0.00 O ATOM 850 CB LYS A 62 9.424 8.172 -3.193 1.00 0.00 C ATOM 851 CG LYS A 62 8.008 8.207 -3.744 1.00 0.00 C ATOM 852 CD LYS A 62 7.872 8.923 -5.087 1.00 0.00 C ATOM 853 CE LYS A 62 8.032 10.448 -5.014 1.00 0.00 C ATOM 854 NZ LYS A 62 9.423 10.930 -4.779 1.00 0.00 N ATOM 0 H LYS A 62 8.304 6.031 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 62 10.591 7.323 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.792 9.193 -3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.072 7.668 -3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.648 7.184 -3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.360 8.697 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.618 8.524 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.894 8.693 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.667 10.880 -5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.394 10.826 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.619 11.741 -5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.526 11.221 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.095 10.164 -4.987 1.00 0.00 H new ATOM 868 N ASP A 63 7.671 8.276 -0.558 1.00 0.00 N ATOM 869 CA ASP A 63 6.995 9.095 0.422 1.00 0.00 C ATOM 870 C ASP A 63 5.763 8.327 0.866 1.00 0.00 C ATOM 871 O ASP A 63 5.480 7.266 0.296 1.00 0.00 O ATOM 872 CB ASP A 63 6.615 10.445 -0.212 1.00 0.00 C ATOM 873 CG ASP A 63 6.137 11.474 0.788 1.00 0.00 C ATOM 874 OD1 ASP A 63 6.970 12.100 1.462 1.00 0.00 O ATOM 875 OD2 ASP A 63 4.928 11.705 0.918 1.00 0.00 O ATOM 0 H ASP A 63 7.053 7.663 -1.091 1.00 0.00 H new ATOM 0 HA ASP A 63 7.631 9.306 1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.479 10.843 -0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.833 10.281 -0.953 1.00 0.00 H new ATOM 880 N GLN A 64 5.009 8.872 1.808 1.00 0.00 N ATOM 881 CA GLN A 64 3.792 8.272 2.374 1.00 0.00 C ATOM 882 C GLN A 64 2.601 8.313 1.411 1.00 0.00 C ATOM 883 O GLN A 64 1.443 8.368 1.828 1.00 0.00 O ATOM 884 CB GLN A 64 3.444 8.957 3.694 1.00 0.00 C ATOM 885 CG GLN A 64 3.417 10.473 3.616 1.00 0.00 C ATOM 886 CD GLN A 64 3.086 11.108 4.938 1.00 0.00 C ATOM 887 OE1 GLN A 64 3.974 11.341 5.757 1.00 0.00 O ATOM 888 NE2 GLN A 64 1.835 11.437 5.145 1.00 0.00 N ATOM 0 H GLN A 64 5.229 9.779 2.221 1.00 0.00 H new ATOM 0 HA GLN A 64 4.004 7.218 2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.469 8.603 4.029 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.169 8.655 4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.387 10.834 3.275 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.682 10.783 2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.129 11.226 4.440 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.567 11.904 6.011 1.00 0.00 H new ATOM 897 N ASN A 65 2.904 8.260 0.129 1.00 0.00 N ATOM 898 CA ASN A 65 1.913 8.195 -0.929 1.00 0.00 C ATOM 899 C ASN A 65 1.257 6.825 -0.800 1.00 0.00 C ATOM 900 O ASN A 65 0.051 6.663 -0.914 1.00 0.00 O ATOM 901 CB ASN A 65 2.593 8.219 -2.319 1.00 0.00 C ATOM 902 CG ASN A 65 3.560 9.370 -2.620 1.00 0.00 C ATOM 903 OD1 ASN A 65 4.525 9.180 -3.361 1.00 0.00 O ATOM 904 ND2 ASN A 65 3.344 10.549 -2.090 1.00 0.00 N ATOM 0 H ASN A 65 3.865 8.261 -0.214 1.00 0.00 H new ATOM 0 HA ASN A 65 1.221 9.033 -0.845 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.137 7.283 -2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.809 8.233 -3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.979 11.322 -2.290 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.541 10.694 -1.478 1.00 0.00 H new ATOM 911 N CYS A 66 2.125 5.850 -0.545 1.00 0.00 N ATOM 912 CA CYS A 66 1.818 4.425 -0.415 1.00 0.00 C ATOM 913 C CYS A 66 1.032 3.831 -1.572 1.00 0.00 C ATOM 914 O CYS A 66 0.218 2.931 -1.413 1.00 0.00 O ATOM 915 CB CYS A 66 1.262 4.026 0.949 1.00 0.00 C ATOM 916 SG CYS A 66 2.381 4.400 2.357 1.00 0.00 S ATOM 0 H CYS A 66 3.118 6.042 -0.416 1.00 0.00 H new ATOM 0 HA CYS A 66 2.800 3.955 -0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.314 4.540 1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.048 2.957 0.943 1.00 0.00 H new ATOM 921 N LYS A 67 1.240 4.383 -2.731 1.00 0.00 N ATOM 922 CA LYS A 67 0.827 3.754 -3.947 1.00 0.00 C ATOM 923 C LYS A 67 1.897 2.790 -4.331 1.00 0.00 C ATOM 924 O LYS A 67 3.034 2.855 -3.819 1.00 0.00 O ATOM 925 CB LYS A 67 0.665 4.781 -5.051 1.00 0.00 C ATOM 926 CG LYS A 67 -0.680 5.403 -5.164 1.00 0.00 C ATOM 927 CD LYS A 67 -1.042 6.038 -3.861 1.00 0.00 C ATOM 928 CE LYS A 67 -2.234 6.916 -4.008 1.00 0.00 C ATOM 929 NZ LYS A 67 -3.436 6.217 -4.551 1.00 0.00 N ATOM 0 H LYS A 67 1.702 5.284 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.131 3.254 -3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.398 5.572 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.906 4.305 -6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.682 6.149 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.420 4.649 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.245 5.265 -3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.199 6.622 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.482 7.342 -3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.982 7.748 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.266 6.838 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.278 5.982 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.602 5.343 -4.012 1.00 0.00 H new ATOM 943 N VAL A 68 1.560 1.901 -5.192 1.00 0.00 N ATOM 944 CA VAL A 68 2.574 1.018 -5.664 1.00 0.00 C ATOM 945 C VAL A 68 3.302 1.708 -6.805 1.00 0.00 C ATOM 946 O VAL A 68 2.845 1.783 -7.952 1.00 0.00 O ATOM 947 CB VAL A 68 2.104 -0.423 -5.998 1.00 0.00 C ATOM 948 CG1 VAL A 68 1.037 -0.480 -7.092 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.307 -1.283 -6.344 1.00 0.00 C ATOM 0 H VAL A 68 0.625 1.763 -5.577 1.00 0.00 H new ATOM 0 HA VAL A 68 3.266 0.830 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 68 1.618 -0.821 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.756 -1.518 -7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.159 0.083 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.434 -0.046 -8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.976 -2.295 -6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.820 -0.860 -7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.990 -1.312 -5.495 1.00 0.00 H new ATOM 959 N ILE A 69 4.423 2.269 -6.447 1.00 0.00 N ATOM 960 CA ILE A 69 5.236 2.980 -7.373 1.00 0.00 C ATOM 961 C ILE A 69 6.499 2.209 -7.461 1.00 0.00 C ATOM 962 O ILE A 69 7.192 1.988 -6.457 1.00 0.00 O ATOM 963 CB ILE A 69 5.516 4.423 -6.881 1.00 0.00 C ATOM 964 CG1 ILE A 69 4.195 5.183 -6.789 1.00 0.00 C ATOM 965 CG2 ILE A 69 6.493 5.148 -7.809 1.00 0.00 C ATOM 966 CD1 ILE A 69 4.281 6.533 -6.111 1.00 0.00 C ATOM 0 H ILE A 69 4.794 2.241 -5.497 1.00 0.00 H new ATOM 0 HA ILE A 69 4.745 3.075 -8.341 1.00 0.00 H new ATOM 0 HB ILE A 69 5.981 4.377 -5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.803 5.323 -7.796 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.475 4.567 -6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.668 6.157 -7.436 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.437 4.604 -7.840 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.071 5.200 -8.813 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.294 6.995 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.639 6.405 -5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.972 7.173 -6.660 1.00 0.00 H new ATOM 978 N LEU A 70 6.769 1.740 -8.628 1.00 0.00 N ATOM 979 CA LEU A 70 7.974 1.038 -8.820 1.00 0.00 C ATOM 980 C LEU A 70 9.065 2.007 -9.036 1.00 0.00 C ATOM 981 O LEU A 70 8.866 3.062 -9.641 1.00 0.00 O ATOM 982 CB LEU A 70 7.931 0.011 -9.932 1.00 0.00 C ATOM 983 CG LEU A 70 6.957 -1.140 -9.756 1.00 0.00 C ATOM 984 CD1 LEU A 70 7.077 -1.775 -8.400 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.553 -0.715 -10.024 1.00 0.00 C ATOM 0 H LEU A 70 6.175 1.831 -9.452 1.00 0.00 H new ATOM 0 HA LEU A 70 8.150 0.457 -7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.687 0.525 -10.862 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.932 -0.404 -10.051 1.00 0.00 H new ATOM 0 HG LEU A 70 7.225 -1.895 -10.495 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.362 -2.594 -8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.088 -2.161 -8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.868 -1.032 -7.630 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.884 -1.564 -9.888 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.275 0.080 -9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.473 -0.349 -11.048 1.00 0.00 H new ATOM 997 N THR A 71 10.214 1.622 -8.577 1.00 0.00 N ATOM 998 CA THR A 71 11.391 2.494 -8.632 1.00 0.00 C ATOM 999 C THR A 71 11.794 2.788 -10.096 1.00 0.00 C ATOM 1000 O THR A 71 12.479 3.773 -10.389 1.00 0.00 O ATOM 1001 CB THR A 71 12.572 1.896 -7.824 1.00 0.00 C ATOM 1002 OG1 THR A 71 13.676 2.812 -7.733 1.00 0.00 O ATOM 1003 CG2 THR A 71 13.041 0.619 -8.464 1.00 0.00 C ATOM 0 H THR A 71 10.383 0.709 -8.154 1.00 0.00 H new ATOM 0 HA THR A 71 11.128 3.443 -8.166 1.00 0.00 H new ATOM 0 HB THR A 71 12.208 1.698 -6.816 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.384 3.633 -7.285 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.870 0.207 -7.889 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.222 -0.100 -8.485 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.371 0.822 -9.483 1.00 0.00 H new ATOM 1011 N ASN A 72 11.306 1.953 -11.001 1.00 0.00 N ATOM 1012 CA ASN A 72 11.584 2.055 -12.422 1.00 0.00 C ATOM 1013 C ASN A 72 10.552 2.923 -13.156 1.00 0.00 C ATOM 1014 O ASN A 72 10.676 3.156 -14.355 1.00 0.00 O ATOM 1015 CB ASN A 72 11.694 0.653 -13.049 1.00 0.00 C ATOM 1016 CG ASN A 72 10.501 -0.242 -12.764 1.00 0.00 C ATOM 1017 OD1 ASN A 72 9.378 0.225 -12.606 1.00 0.00 O ATOM 1018 ND2 ASN A 72 10.734 -1.531 -12.658 1.00 0.00 N ATOM 0 H ASN A 72 10.695 1.172 -10.762 1.00 0.00 H new ATOM 0 HA ASN A 72 12.544 2.558 -12.536 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.809 0.756 -14.128 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.597 0.169 -12.677 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.970 -2.171 -12.439 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.678 -1.891 -12.795 1.00 0.00 H new ATOM 1025 N GLY A 73 9.507 3.349 -12.454 1.00 0.00 N ATOM 1026 CA GLY A 73 8.560 4.276 -13.032 1.00 0.00 C ATOM 1027 C GLY A 73 7.316 3.599 -13.531 1.00 0.00 C ATOM 1028 O GLY A 73 6.432 4.246 -14.099 1.00 0.00 O ATOM 0 H GLY A 73 9.302 3.067 -11.495 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.288 5.023 -12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.035 4.807 -13.857 1.00 0.00 H new ATOM 1032 N LYS A 74 7.253 2.297 -13.372 1.00 0.00 N ATOM 1033 CA LYS A 74 6.098 1.558 -13.797 1.00 0.00 C ATOM 1034 C LYS A 74 5.019 1.494 -12.734 1.00 0.00 C ATOM 1035 O LYS A 74 5.173 1.987 -11.604 1.00 0.00 O ATOM 1036 CB LYS A 74 6.532 0.153 -14.153 1.00 0.00 C ATOM 1037 CG LYS A 74 7.583 0.094 -15.238 1.00 0.00 C ATOM 1038 CD LYS A 74 8.101 -1.312 -15.341 1.00 0.00 C ATOM 1039 CE LYS A 74 9.112 -1.471 -16.454 1.00 0.00 C ATOM 1040 NZ LYS A 74 9.586 -2.870 -16.557 1.00 0.00 N ATOM 0 H LYS A 74 7.991 1.732 -12.951 1.00 0.00 H new ATOM 0 HA LYS A 74 5.669 2.073 -14.657 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.919 -0.335 -13.259 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.660 -0.416 -14.474 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.158 0.410 -16.191 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.399 0.780 -15.010 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.558 -1.599 -14.394 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.267 -1.993 -15.511 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.665 -1.166 -17.400 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.960 -0.810 -16.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.278 -2.946 -17.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.034 -3.152 -15.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.779 -3.496 -16.752 1.00 0.00 H new ATOM 1054 N GLN A 75 3.913 0.922 -13.144 1.00 0.00 N ATOM 1055 CA GLN A 75 2.815 0.577 -12.271 1.00 0.00 C ATOM 1056 C GLN A 75 2.861 -0.917 -12.077 1.00 0.00 C ATOM 1057 O GLN A 75 3.364 -1.651 -12.929 1.00 0.00 O ATOM 1058 CB GLN A 75 1.430 0.879 -12.848 1.00 0.00 C ATOM 1059 CG GLN A 75 1.137 2.314 -13.186 1.00 0.00 C ATOM 1060 CD GLN A 75 -0.325 2.507 -13.526 1.00 0.00 C ATOM 1061 OE1 GLN A 75 -0.742 2.369 -14.676 1.00 0.00 O ATOM 1062 NE2 GLN A 75 -1.114 2.865 -12.542 1.00 0.00 N ATOM 0 H GLN A 75 3.746 0.677 -14.120 1.00 0.00 H new ATOM 0 HA GLN A 75 2.937 1.168 -11.363 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.301 0.284 -13.752 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.682 0.539 -12.132 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.405 2.951 -12.343 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.754 2.625 -14.029 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.738 2.971 -11.600 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.104 3.038 -12.719 1.00 0.00 H new ATOM 1071 N ALA A 76 2.369 -1.353 -10.967 1.00 0.00 N ATOM 1072 CA ALA A 76 2.245 -2.758 -10.681 1.00 0.00 C ATOM 1073 C ALA A 76 0.748 -3.055 -10.753 1.00 0.00 C ATOM 1074 O ALA A 76 -0.030 -2.104 -10.931 1.00 0.00 O ATOM 1075 CB ALA A 76 2.827 -3.045 -9.304 1.00 0.00 C ATOM 0 H ALA A 76 2.036 -0.745 -10.219 1.00 0.00 H new ATOM 0 HA ALA A 76 2.790 -3.390 -11.383 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.735 -4.109 -9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.879 -2.761 -9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.284 -2.471 -8.553 1.00 0.00 H new ATOM 1081 N PRO A 77 0.304 -4.334 -10.705 1.00 0.00 N ATOM 1082 CA PRO A 77 -1.129 -4.663 -10.692 1.00 0.00 C ATOM 1083 C PRO A 77 -1.824 -3.975 -9.526 1.00 0.00 C ATOM 1084 O PRO A 77 -1.229 -3.797 -8.468 1.00 0.00 O ATOM 1085 CB PRO A 77 -1.148 -6.170 -10.482 1.00 0.00 C ATOM 1086 CG PRO A 77 0.165 -6.654 -10.964 1.00 0.00 C ATOM 1087 CD PRO A 77 1.139 -5.555 -10.680 1.00 0.00 C ATOM 0 HA PRO A 77 -1.641 -4.344 -11.600 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.296 -6.418 -9.431 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.964 -6.633 -11.036 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.454 -7.573 -10.453 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.131 -6.879 -12.030 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.624 -5.689 -9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.929 -5.516 -11.430 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.084 -3.631 -9.705 1.00 0.00 N ATOM 1096 CA ASP A 78 -3.830 -2.862 -8.711 1.00 0.00 C ATOM 1097 C ASP A 78 -4.125 -3.654 -7.451 1.00 0.00 C ATOM 1098 O ASP A 78 -4.573 -3.089 -6.456 1.00 0.00 O ATOM 1099 CB ASP A 78 -5.117 -2.271 -9.294 1.00 0.00 C ATOM 1100 CG ASP A 78 -4.852 -1.328 -10.445 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -4.886 -1.785 -11.611 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -4.572 -0.131 -10.219 1.00 0.00 O ATOM 0 H ASP A 78 -3.623 -3.872 -10.537 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.177 -2.037 -8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.763 -3.080 -9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.656 -1.740 -8.510 1.00 0.00 H new ATOM 1107 N TRP A 79 -3.880 -4.961 -7.489 1.00 0.00 N ATOM 1108 CA TRP A 79 -4.046 -5.789 -6.311 1.00 0.00 C ATOM 1109 C TRP A 79 -2.815 -5.690 -5.424 1.00 0.00 C ATOM 1110 O TRP A 79 -2.824 -6.104 -4.273 1.00 0.00 O ATOM 1111 CB TRP A 79 -4.364 -7.253 -6.667 1.00 0.00 C ATOM 1112 CG TRP A 79 -3.382 -7.957 -7.558 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -3.538 -8.151 -8.889 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -2.119 -8.571 -7.207 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -2.477 -8.846 -9.400 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -1.588 -9.110 -8.397 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -1.379 -8.722 -6.020 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 -0.369 -9.779 -8.443 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 -0.167 -9.384 -6.077 1.00 0.00 C ATOM 1120 CH2 TRP A 79 0.326 -9.903 -7.277 1.00 0.00 C ATOM 0 H TRP A 79 -3.568 -5.462 -8.321 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.907 -5.412 -5.759 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.448 -7.819 -5.739 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -5.342 -7.282 -7.148 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -4.383 -7.805 -9.466 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -2.367 -9.123 -10.375 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -1.750 -8.329 -5.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.012 -10.185 -9.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 0.412 -9.503 -5.173 1.00 0.00 H new ATOM 0 HH2 TRP A 79 1.278 -10.413 -7.281 1.00 0.00 H new ATOM 1131 N LEU A 80 -1.745 -5.148 -5.968 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.540 -4.971 -5.223 1.00 0.00 C ATOM 1133 C LEU A 80 -0.700 -3.642 -4.501 1.00 0.00 C ATOM 1134 O LEU A 80 -0.502 -2.566 -5.067 1.00 0.00 O ATOM 1135 CB LEU A 80 0.661 -4.983 -6.171 1.00 0.00 C ATOM 1136 CG LEU A 80 2.023 -5.214 -5.531 1.00 0.00 C ATOM 1137 CD1 LEU A 80 2.068 -6.596 -4.941 1.00 0.00 C ATOM 1138 CD2 LEU A 80 3.145 -5.089 -6.536 1.00 0.00 C ATOM 0 H LEU A 80 -1.697 -4.823 -6.934 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.363 -5.771 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.499 -5.759 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.689 -4.031 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 80 2.159 -4.454 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.042 -6.764 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.289 -6.694 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.905 -7.333 -5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.100 -5.261 -6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.009 -5.827 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.136 -4.089 -6.969 1.00 0.00 H new ATOM 1150 N ALA A 81 -1.142 -3.737 -3.281 1.00 0.00 N ATOM 1151 CA ALA A 81 -1.495 -2.590 -2.483 1.00 0.00 C ATOM 1152 C ALA A 81 -0.388 -2.202 -1.558 1.00 0.00 C ATOM 1153 O ALA A 81 0.549 -2.954 -1.332 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.735 -2.877 -1.656 1.00 0.00 C ATOM 0 H ALA A 81 -1.271 -4.627 -2.801 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.686 -1.769 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.986 -1.999 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.567 -3.116 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.544 -3.722 -0.995 1.00 0.00 H new ATOM 1160 N ALA A 82 -0.521 -1.025 -1.030 1.00 0.00 N ATOM 1161 CA ALA A 82 0.375 -0.506 -0.037 1.00 0.00 C ATOM 1162 C ALA A 82 -0.403 0.383 0.901 1.00 0.00 C ATOM 1163 O ALA A 82 -1.328 1.086 0.478 1.00 0.00 O ATOM 1164 CB ALA A 82 1.520 0.280 -0.657 1.00 0.00 C ATOM 0 H ALA A 82 -1.272 -0.382 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 82 0.812 -1.346 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.173 0.654 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.089 -0.370 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.119 1.119 -1.225 1.00 0.00 H new ATOM 1170 N GLU A 83 -0.093 0.298 2.163 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.650 1.178 3.152 1.00 0.00 C ATOM 1172 C GLU A 83 0.412 1.323 4.200 1.00 0.00 C ATOM 1173 O GLU A 83 1.170 0.395 4.389 1.00 0.00 O ATOM 1174 CB GLU A 83 -1.950 0.631 3.736 1.00 0.00 C ATOM 1175 CG GLU A 83 -1.854 -0.677 4.478 1.00 0.00 C ATOM 1176 CD GLU A 83 -3.193 -1.097 5.012 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -3.780 -0.369 5.840 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -3.696 -2.168 4.615 1.00 0.00 O ATOM 0 H GLU A 83 0.559 -0.390 2.539 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.920 2.141 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.361 1.379 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.666 0.511 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.467 -1.448 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.145 -0.581 5.301 1.00 0.00 H new ATOM 1185 N PRO A 84 0.556 2.468 4.837 1.00 0.00 N ATOM 1186 CA PRO A 84 1.593 2.652 5.833 1.00 0.00 C ATOM 1187 C PRO A 84 1.317 1.832 7.110 1.00 0.00 C ATOM 1188 O PRO A 84 0.172 1.615 7.477 1.00 0.00 O ATOM 1189 CB PRO A 84 1.599 4.170 5.986 1.00 0.00 C ATOM 1190 CG PRO A 84 0.172 4.522 5.819 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.252 3.690 4.660 1.00 0.00 C ATOM 0 HA PRO A 84 2.581 2.279 5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.980 4.477 6.960 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.225 4.650 5.233 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.407 4.291 6.713 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.041 5.586 5.620 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.321 3.477 4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -0.044 4.181 3.709 1.00 0.00 H new ATOM 1199 N TYR A 85 2.379 1.329 7.721 1.00 0.00 N ATOM 1200 CA TYR A 85 2.288 0.374 8.823 1.00 0.00 C ATOM 1201 C TYR A 85 1.621 0.858 10.122 1.00 0.00 C ATOM 1202 O TYR A 85 2.219 1.596 10.927 1.00 0.00 O ATOM 1203 CB TYR A 85 3.611 -0.406 8.973 1.00 0.00 C ATOM 1204 CG TYR A 85 4.567 -0.133 10.121 1.00 0.00 C ATOM 1205 CD1 TYR A 85 5.342 1.017 10.177 1.00 0.00 C ATOM 1206 CD2 TYR A 85 4.745 -1.089 11.115 1.00 0.00 C ATOM 1207 CE1 TYR A 85 6.262 1.201 11.192 1.00 0.00 C ATOM 1208 CE2 TYR A 85 5.648 -0.907 12.136 1.00 0.00 C ATOM 1209 CZ TYR A 85 6.409 0.236 12.169 1.00 0.00 C ATOM 1210 OH TYR A 85 7.338 0.408 13.176 1.00 0.00 O ATOM 1211 OXT TYR A 85 0.472 0.444 10.377 1.00 0.00 O ATOM 0 H TYR A 85 3.337 1.572 7.467 1.00 0.00 H new ATOM 0 HA TYR A 85 1.528 -0.350 8.530 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.352 -1.464 9.021 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.173 -0.257 8.051 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.225 1.777 9.419 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.160 -1.996 11.084 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.864 2.097 11.221 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.758 -1.657 12.906 1.00 0.00 H new ATOM 0 HH TYR A 85 7.312 -0.363 13.781 1.00 0.00 H new TER 1221 TYR A 85