USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 666 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 3 SER OG : rot -10:sc= 0.771 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0795 USER MOD Single : A 10 GLN : amide:sc= -6.41! C(o=-6.4!,f=-3.6!) USER MOD Single : A 12 ASN : amide:sc= -0.603 X(o=-0.6,f=-0.16) USER MOD Single : A 14 ASN : amide:sc= -0.172 K(o=-0.17,f=-0.81) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.9 K(o=-1.9,f=-0.74) USER MOD Single : A 26 ASN : amide:sc= -5.17! C(o=-5.2!,f=-5.2!) USER MOD Single : A 28 HIS : no HD1:sc= -0.0768 X(o=-0.077,f=0.0075) USER MOD Single : A 32 GLN : amide:sc= -3.6 K(o=-3.6,f=-5.3!) USER MOD Single : A 33 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-2.4!) USER MOD Single : A 34 HIS : no HD1:sc= -0.28 K(o=-0.28,f=-1.1) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -170:sc= 0.0125 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.407 K(o=-0.41,f=0.28) USER MOD Single : A 66 MET CE :methyl -119:sc= 0 (180deg=-0.176) USER MOD Single : A 72 THR OG1 : rot -96:sc= -0.728! USER MOD Single : A 76 ASN : amide:sc= -2.65 K(o=-2.6,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 3 0.880 16.571 0.051 1.00 0.00 N ATOM 32 CA SER A 3 -0.146 15.530 -0.236 1.00 0.00 C ATOM 33 C SER A 3 0.556 14.197 -0.486 1.00 0.00 C ATOM 34 O SER A 3 0.967 13.903 -1.589 1.00 0.00 O ATOM 35 CB SER A 3 -0.944 15.927 -1.478 1.00 0.00 C ATOM 36 OG SER A 3 -0.183 16.846 -2.252 1.00 0.00 O ATOM 0 HA SER A 3 -0.824 15.437 0.612 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.180 15.043 -2.070 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.893 16.378 -1.186 1.00 0.00 H new ATOM 0 HG SER A 3 0.604 17.130 -1.742 1.00 0.00 H new ATOM 42 N LEU A 4 0.712 13.390 0.529 1.00 0.00 N ATOM 43 CA LEU A 4 1.402 12.090 0.330 1.00 0.00 C ATOM 44 C LEU A 4 0.665 10.975 1.067 1.00 0.00 C ATOM 45 O LEU A 4 -0.053 11.205 2.015 1.00 0.00 O ATOM 46 CB LEU A 4 2.833 12.192 0.858 1.00 0.00 C ATOM 47 CG LEU A 4 2.883 13.161 2.041 1.00 0.00 C ATOM 48 CD1 LEU A 4 2.068 12.589 3.203 1.00 0.00 C ATOM 49 CD2 LEU A 4 4.336 13.350 2.486 1.00 0.00 C ATOM 0 H LEU A 4 0.393 13.576 1.480 1.00 0.00 H new ATOM 0 HA LEU A 4 1.415 11.856 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.187 11.208 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.499 12.536 0.066 1.00 0.00 H new ATOM 0 HG LEU A 4 2.466 14.122 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.103 13.279 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.033 12.452 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.486 11.628 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.372 14.040 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.752 12.389 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.920 13.756 1.660 1.00 0.00 H new ATOM 61 N VAL A 5 0.845 9.761 0.626 1.00 0.00 N ATOM 62 CA VAL A 5 0.170 8.612 1.278 1.00 0.00 C ATOM 63 C VAL A 5 1.230 7.727 1.929 1.00 0.00 C ATOM 64 O VAL A 5 2.404 8.038 1.913 1.00 0.00 O ATOM 65 CB VAL A 5 -0.601 7.816 0.212 1.00 0.00 C ATOM 66 CG1 VAL A 5 -1.078 8.764 -0.884 1.00 0.00 C ATOM 67 CG2 VAL A 5 0.298 6.745 -0.422 1.00 0.00 C ATOM 0 H VAL A 5 1.438 9.517 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.528 8.960 2.039 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.451 7.331 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.625 8.200 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.733 9.520 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.218 9.250 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.267 6.194 -1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.157 7.223 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.644 6.057 0.349 1.00 0.00 H new ATOM 77 N TYR A 6 0.835 6.621 2.487 1.00 0.00 N ATOM 78 CA TYR A 6 1.831 5.725 3.111 1.00 0.00 C ATOM 79 C TYR A 6 1.336 4.293 2.925 1.00 0.00 C ATOM 80 O TYR A 6 0.168 4.030 3.047 1.00 0.00 O ATOM 81 CB TYR A 6 1.958 6.095 4.602 1.00 0.00 C ATOM 82 CG TYR A 6 2.184 4.864 5.449 1.00 0.00 C ATOM 83 CD1 TYR A 6 3.119 3.907 5.054 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.451 4.681 6.625 1.00 0.00 C ATOM 85 CE1 TYR A 6 3.326 2.767 5.828 1.00 0.00 C ATOM 86 CE2 TYR A 6 1.656 3.538 7.405 1.00 0.00 C ATOM 87 CZ TYR A 6 2.595 2.579 7.007 1.00 0.00 C ATOM 88 OH TYR A 6 2.799 1.451 7.775 1.00 0.00 O ATOM 0 H TYR A 6 -0.133 6.302 2.536 1.00 0.00 H new ATOM 0 HA TYR A 6 2.816 5.824 2.656 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.786 6.791 4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.054 6.606 4.932 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.684 4.050 4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.727 5.421 6.931 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.050 2.028 5.518 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.090 3.395 8.314 1.00 0.00 H new ATOM 0 HH TYR A 6 2.211 1.478 8.559 1.00 0.00 H new ATOM 98 N ILE A 7 2.208 3.375 2.615 1.00 0.00 N ATOM 99 CA ILE A 7 1.775 1.964 2.422 1.00 0.00 C ATOM 100 C ILE A 7 2.863 1.038 2.958 1.00 0.00 C ATOM 101 O ILE A 7 4.030 1.239 2.696 1.00 0.00 O ATOM 102 CB ILE A 7 1.584 1.720 0.928 1.00 0.00 C ATOM 103 CG1 ILE A 7 2.707 2.412 0.152 1.00 0.00 C ATOM 104 CG2 ILE A 7 0.237 2.296 0.495 1.00 0.00 C ATOM 105 CD1 ILE A 7 3.083 1.566 -1.066 1.00 0.00 C ATOM 0 H ILE A 7 3.206 3.542 2.487 1.00 0.00 H new ATOM 0 HA ILE A 7 0.842 1.772 2.951 1.00 0.00 H new ATOM 0 HB ILE A 7 1.609 0.650 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.386 3.404 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.576 2.549 0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.094 2.125 -0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.563 1.808 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.218 3.367 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.883 2.059 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.422 0.584 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.213 1.452 -1.712 1.00 0.00 H new ATOM 117 N ALA A 8 2.512 0.015 3.697 1.00 0.00 N ATOM 118 CA ALA A 8 3.579 -0.887 4.209 1.00 0.00 C ATOM 119 C ALA A 8 3.082 -2.328 4.260 1.00 0.00 C ATOM 120 O ALA A 8 1.919 -2.598 4.508 1.00 0.00 O ATOM 121 CB ALA A 8 4.001 -0.450 5.609 1.00 0.00 C ATOM 0 H ALA A 8 1.557 -0.228 3.961 1.00 0.00 H new ATOM 0 HA ALA A 8 4.432 -0.829 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.782 -1.115 5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.381 0.571 5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.142 -0.494 6.278 1.00 0.00 H new ATOM 127 N PHE A 9 3.968 -3.256 4.035 1.00 0.00 N ATOM 128 CA PHE A 9 3.592 -4.674 4.074 1.00 0.00 C ATOM 129 C PHE A 9 4.673 -5.428 4.846 1.00 0.00 C ATOM 130 O PHE A 9 5.672 -4.861 5.239 1.00 0.00 O ATOM 131 CB PHE A 9 3.486 -5.202 2.646 1.00 0.00 C ATOM 132 CG PHE A 9 4.857 -5.471 2.075 1.00 0.00 C ATOM 133 CD1 PHE A 9 5.636 -4.413 1.601 1.00 0.00 C ATOM 134 CD2 PHE A 9 5.342 -6.781 2.016 1.00 0.00 C ATOM 135 CE1 PHE A 9 6.904 -4.665 1.066 1.00 0.00 C ATOM 136 CE2 PHE A 9 6.608 -7.034 1.481 1.00 0.00 C ATOM 137 CZ PHE A 9 7.391 -5.976 1.006 1.00 0.00 C ATOM 0 H PHE A 9 4.950 -3.078 3.823 1.00 0.00 H new ATOM 0 HA PHE A 9 2.629 -4.810 4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.895 -6.118 2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.962 -4.477 2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.260 -3.402 1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.738 -7.597 2.384 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.507 -3.848 0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.982 -8.046 1.434 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.370 -6.171 0.594 1.00 0.00 H new ATOM 147 N GLN A 10 4.491 -6.693 5.065 1.00 0.00 N ATOM 148 CA GLN A 10 5.521 -7.465 5.809 1.00 0.00 C ATOM 149 C GLN A 10 5.655 -8.844 5.172 1.00 0.00 C ATOM 150 O GLN A 10 5.103 -9.802 5.654 1.00 0.00 O ATOM 151 CB GLN A 10 5.103 -7.615 7.281 1.00 0.00 C ATOM 152 CG GLN A 10 6.335 -7.877 8.152 1.00 0.00 C ATOM 153 CD GLN A 10 7.205 -8.953 7.499 1.00 0.00 C ATOM 154 OE1 GLN A 10 7.179 -10.100 7.900 1.00 0.00 O ATOM 155 NE2 GLN A 10 7.979 -8.625 6.503 1.00 0.00 N ATOM 0 H GLN A 10 3.677 -7.228 4.763 1.00 0.00 H new ATOM 0 HA GLN A 10 6.475 -6.940 5.766 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.595 -6.711 7.617 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.393 -8.436 7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.907 -6.958 8.276 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.028 -8.198 9.147 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.999 -7.662 6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.565 -9.332 6.058 1.00 0.00 H new ATOM 164 N ASP A 11 6.373 -8.949 4.088 1.00 0.00 N ATOM 165 CA ASP A 11 6.529 -10.280 3.423 1.00 0.00 C ATOM 166 C ASP A 11 7.964 -10.784 3.591 1.00 0.00 C ATOM 167 O ASP A 11 8.803 -10.122 4.169 1.00 0.00 O ATOM 168 CB ASP A 11 6.201 -10.159 1.933 1.00 0.00 C ATOM 169 CG ASP A 11 5.645 -11.490 1.423 1.00 0.00 C ATOM 170 OD1 ASP A 11 4.626 -11.920 1.938 1.00 0.00 O ATOM 171 OD2 ASP A 11 6.247 -12.056 0.526 1.00 0.00 O ATOM 0 H ASP A 11 6.858 -8.176 3.633 1.00 0.00 H new ATOM 0 HA ASP A 11 5.843 -10.988 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.473 -9.364 1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.096 -9.888 1.373 1.00 0.00 H new ATOM 176 N ASN A 12 8.255 -11.952 3.082 1.00 0.00 N ATOM 177 CA ASN A 12 9.636 -12.501 3.203 1.00 0.00 C ATOM 178 C ASN A 12 10.197 -12.776 1.808 1.00 0.00 C ATOM 179 O ASN A 12 11.175 -13.480 1.649 1.00 0.00 O ATOM 180 CB ASN A 12 9.599 -13.804 4.005 1.00 0.00 C ATOM 181 CG ASN A 12 10.920 -13.984 4.755 1.00 0.00 C ATOM 182 OD1 ASN A 12 11.502 -15.050 4.736 1.00 0.00 O ATOM 183 ND2 ASN A 12 11.420 -12.980 5.422 1.00 0.00 N ATOM 0 H ASN A 12 7.594 -12.550 2.587 1.00 0.00 H new ATOM 0 HA ASN A 12 10.272 -11.778 3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.768 -13.785 4.711 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.430 -14.649 3.337 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.299 -13.091 5.927 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.932 -12.085 5.438 1.00 0.00 H new ATOM 190 N ASP A 13 9.592 -12.221 0.795 1.00 0.00 N ATOM 191 CA ASP A 13 10.095 -12.447 -0.583 1.00 0.00 C ATOM 192 C ASP A 13 11.191 -11.428 -0.885 1.00 0.00 C ATOM 193 O ASP A 13 10.924 -10.272 -1.147 1.00 0.00 O ATOM 194 CB ASP A 13 8.949 -12.278 -1.583 1.00 0.00 C ATOM 195 CG ASP A 13 8.301 -13.636 -1.854 1.00 0.00 C ATOM 196 OD1 ASP A 13 9.033 -14.589 -2.064 1.00 0.00 O ATOM 197 OD2 ASP A 13 7.082 -13.702 -1.847 1.00 0.00 O ATOM 0 H ASP A 13 8.770 -11.621 0.865 1.00 0.00 H new ATOM 0 HA ASP A 13 10.497 -13.457 -0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.208 -11.582 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.324 -11.851 -2.513 1.00 0.00 H new ATOM 202 N ASN A 14 12.425 -11.848 -0.859 1.00 0.00 N ATOM 203 CA ASN A 14 13.535 -10.904 -1.155 1.00 0.00 C ATOM 204 C ASN A 14 13.454 -10.491 -2.623 1.00 0.00 C ATOM 205 O ASN A 14 14.167 -9.615 -3.071 1.00 0.00 O ATOM 206 CB ASN A 14 14.879 -11.588 -0.890 1.00 0.00 C ATOM 207 CG ASN A 14 15.580 -10.900 0.281 1.00 0.00 C ATOM 208 OD1 ASN A 14 15.575 -9.689 0.381 1.00 0.00 O ATOM 209 ND2 ASN A 14 16.189 -11.625 1.179 1.00 0.00 N ATOM 0 H ASN A 14 12.711 -12.803 -0.646 1.00 0.00 H new ATOM 0 HA ASN A 14 13.450 -10.025 -0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 14 14.724 -12.643 -0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.505 -11.540 -1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 14 16.660 -11.175 1.964 1.00 0.00 H new ATOM 0 HD22 ASN A 14 16.194 -12.642 1.096 1.00 0.00 H new ATOM 216 N ALA A 15 12.587 -11.113 -3.377 1.00 0.00 N ATOM 217 CA ALA A 15 12.463 -10.748 -4.812 1.00 0.00 C ATOM 218 C ALA A 15 11.865 -9.350 -4.919 1.00 0.00 C ATOM 219 O ALA A 15 12.439 -8.456 -5.513 1.00 0.00 O ATOM 220 CB ALA A 15 11.557 -11.755 -5.523 1.00 0.00 C ATOM 0 H ALA A 15 11.963 -11.855 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 15 13.446 -10.762 -5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.468 -11.485 -6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.987 -12.753 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.570 -11.746 -5.061 1.00 0.00 H new ATOM 226 N ARG A 16 10.720 -9.149 -4.335 1.00 0.00 N ATOM 227 CA ARG A 16 10.093 -7.807 -4.388 1.00 0.00 C ATOM 228 C ARG A 16 11.050 -6.798 -3.751 1.00 0.00 C ATOM 229 O ARG A 16 11.070 -5.634 -4.099 1.00 0.00 O ATOM 230 CB ARG A 16 8.763 -7.843 -3.628 1.00 0.00 C ATOM 231 CG ARG A 16 9.008 -7.687 -2.123 1.00 0.00 C ATOM 232 CD ARG A 16 7.926 -8.439 -1.346 1.00 0.00 C ATOM 233 NE ARG A 16 6.595 -7.833 -1.631 1.00 0.00 N ATOM 234 CZ ARG A 16 5.501 -8.473 -1.313 1.00 0.00 C ATOM 235 NH1 ARG A 16 5.568 -9.651 -0.752 1.00 0.00 N ATOM 236 NH2 ARG A 16 4.338 -7.935 -1.558 1.00 0.00 N ATOM 0 H ARG A 16 10.193 -9.857 -3.824 1.00 0.00 H new ATOM 0 HA ARG A 16 9.896 -7.514 -5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.112 -7.044 -3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.249 -8.784 -3.824 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.993 -8.075 -1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.999 -6.632 -1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.926 -9.492 -1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.135 -8.396 -0.277 1.00 0.00 H new ATOM 0 HE ARG A 16 6.538 -6.917 -2.075 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.476 -10.074 -0.561 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.712 -10.148 -0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.284 -7.016 -1.997 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.483 -8.433 -1.310 1.00 0.00 H new ATOM 250 N TYR A 17 11.855 -7.246 -2.824 1.00 0.00 N ATOM 251 CA TYR A 17 12.824 -6.327 -2.168 1.00 0.00 C ATOM 252 C TYR A 17 13.759 -5.760 -3.231 1.00 0.00 C ATOM 253 O TYR A 17 13.961 -4.566 -3.322 1.00 0.00 O ATOM 254 CB TYR A 17 13.645 -7.097 -1.135 1.00 0.00 C ATOM 255 CG TYR A 17 14.394 -6.121 -0.260 1.00 0.00 C ATOM 256 CD1 TYR A 17 13.691 -5.175 0.496 1.00 0.00 C ATOM 257 CD2 TYR A 17 15.793 -6.159 -0.205 1.00 0.00 C ATOM 258 CE1 TYR A 17 14.385 -4.270 1.306 1.00 0.00 C ATOM 259 CE2 TYR A 17 16.488 -5.253 0.606 1.00 0.00 C ATOM 260 CZ TYR A 17 15.784 -4.309 1.362 1.00 0.00 C ATOM 261 OH TYR A 17 16.467 -3.416 2.162 1.00 0.00 O ATOM 0 H TYR A 17 11.881 -8.211 -2.494 1.00 0.00 H new ATOM 0 HA TYR A 17 12.286 -5.520 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.991 -7.720 -0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 17 14.346 -7.765 -1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.612 -5.144 0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.336 -6.888 -0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.842 -3.541 1.889 1.00 0.00 H new ATOM 0 HE2 TYR A 17 17.567 -5.283 0.648 1.00 0.00 H new ATOM 0 HH TYR A 17 17.430 -3.579 2.086 1.00 0.00 H new ATOM 271 N VAL A 18 14.325 -6.609 -4.044 1.00 0.00 N ATOM 272 CA VAL A 18 15.237 -6.117 -5.110 1.00 0.00 C ATOM 273 C VAL A 18 14.494 -5.068 -5.933 1.00 0.00 C ATOM 274 O VAL A 18 14.930 -3.939 -6.068 1.00 0.00 O ATOM 275 CB VAL A 18 15.647 -7.282 -6.012 1.00 0.00 C ATOM 276 CG1 VAL A 18 16.574 -6.772 -7.117 1.00 0.00 C ATOM 277 CG2 VAL A 18 16.379 -8.338 -5.182 1.00 0.00 C ATOM 0 H VAL A 18 14.195 -7.620 -4.015 1.00 0.00 H new ATOM 0 HA VAL A 18 16.132 -5.681 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 18 14.756 -7.724 -6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 18 16.866 -7.603 -7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 18 16.054 -6.020 -7.710 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.464 -6.329 -6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 18 16.671 -9.168 -5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.269 -7.896 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 18 15.720 -8.703 -4.395 1.00 0.00 H new ATOM 287 N VAL A 19 13.360 -5.427 -6.473 1.00 0.00 N ATOM 288 CA VAL A 19 12.581 -4.443 -7.271 1.00 0.00 C ATOM 289 C VAL A 19 12.454 -3.158 -6.455 1.00 0.00 C ATOM 290 O VAL A 19 12.400 -2.068 -6.991 1.00 0.00 O ATOM 291 CB VAL A 19 11.190 -5.006 -7.570 1.00 0.00 C ATOM 292 CG1 VAL A 19 10.381 -3.976 -8.362 1.00 0.00 C ATOM 293 CG2 VAL A 19 11.326 -6.287 -8.396 1.00 0.00 C ATOM 0 H VAL A 19 12.943 -6.355 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 19 13.086 -4.240 -8.215 1.00 0.00 H new ATOM 0 HB VAL A 19 10.680 -5.228 -6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 19 9.390 -4.377 -8.575 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.284 -3.061 -7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.892 -3.755 -9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.336 -6.689 -8.610 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.837 -6.063 -9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.903 -7.022 -7.835 1.00 0.00 H new ATOM 303 N GLU A 20 12.421 -3.283 -5.154 1.00 0.00 N ATOM 304 CA GLU A 20 12.315 -2.077 -4.288 1.00 0.00 C ATOM 305 C GLU A 20 13.594 -1.252 -4.432 1.00 0.00 C ATOM 306 O GLU A 20 13.553 -0.051 -4.603 1.00 0.00 O ATOM 307 CB GLU A 20 12.149 -2.510 -2.829 1.00 0.00 C ATOM 308 CG GLU A 20 11.510 -1.375 -2.027 1.00 0.00 C ATOM 309 CD GLU A 20 10.037 -1.698 -1.765 1.00 0.00 C ATOM 310 OE1 GLU A 20 9.639 -2.819 -2.036 1.00 0.00 O ATOM 311 OE2 GLU A 20 9.333 -0.819 -1.296 1.00 0.00 O ATOM 0 H GLU A 20 12.463 -4.172 -4.655 1.00 0.00 H new ATOM 0 HA GLU A 20 11.453 -1.480 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.527 -3.404 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.118 -2.769 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.037 -1.242 -1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.595 -0.436 -2.575 1.00 0.00 H new ATOM 318 N ALA A 21 14.732 -1.891 -4.375 1.00 0.00 N ATOM 319 CA ALA A 21 16.009 -1.144 -4.521 1.00 0.00 C ATOM 320 C ALA A 21 15.920 -0.262 -5.765 1.00 0.00 C ATOM 321 O ALA A 21 16.345 0.877 -5.765 1.00 0.00 O ATOM 322 CB ALA A 21 17.168 -2.132 -4.674 1.00 0.00 C ATOM 0 H ALA A 21 14.830 -2.896 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 21 16.182 -0.527 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.103 -1.582 -4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 21 17.221 -2.770 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.006 -2.748 -5.558 1.00 0.00 H new ATOM 328 N ILE A 22 15.358 -0.780 -6.824 1.00 0.00 N ATOM 329 CA ILE A 22 15.228 0.029 -8.067 1.00 0.00 C ATOM 330 C ILE A 22 14.279 1.199 -7.802 1.00 0.00 C ATOM 331 O ILE A 22 14.534 2.319 -8.198 1.00 0.00 O ATOM 332 CB ILE A 22 14.667 -0.844 -9.192 1.00 0.00 C ATOM 333 CG1 ILE A 22 15.684 -1.932 -9.546 1.00 0.00 C ATOM 334 CG2 ILE A 22 14.400 0.020 -10.425 1.00 0.00 C ATOM 335 CD1 ILE A 22 15.523 -3.114 -8.588 1.00 0.00 C ATOM 0 H ILE A 22 14.984 -1.727 -6.881 1.00 0.00 H new ATOM 0 HA ILE A 22 16.206 0.408 -8.364 1.00 0.00 H new ATOM 0 HB ILE A 22 13.736 -1.306 -8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 22 15.537 -2.261 -10.575 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.696 -1.533 -9.481 1.00 0.00 H new ATOM 0 HG21 ILE A 22 14.001 -0.602 -11.226 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.678 0.797 -10.175 1.00 0.00 H new ATOM 0 HG23 ILE A 22 15.331 0.482 -10.754 1.00 0.00 H new ATOM 0 HD11 ILE A 22 16.247 -3.888 -8.841 1.00 0.00 H new ATOM 0 HD12 ILE A 22 15.692 -2.779 -7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 22 14.515 -3.518 -8.675 1.00 0.00 H new ATOM 347 N ILE A 23 13.189 0.953 -7.126 1.00 0.00 N ATOM 348 CA ILE A 23 12.235 2.059 -6.830 1.00 0.00 C ATOM 349 C ILE A 23 12.998 3.205 -6.170 1.00 0.00 C ATOM 350 O ILE A 23 12.819 4.358 -6.508 1.00 0.00 O ATOM 351 CB ILE A 23 11.139 1.556 -5.888 1.00 0.00 C ATOM 352 CG1 ILE A 23 10.170 0.671 -6.671 1.00 0.00 C ATOM 353 CG2 ILE A 23 10.378 2.747 -5.298 1.00 0.00 C ATOM 354 CD1 ILE A 23 8.920 0.410 -5.827 1.00 0.00 C ATOM 0 H ILE A 23 12.919 0.037 -6.767 1.00 0.00 H new ATOM 0 HA ILE A 23 11.774 2.408 -7.754 1.00 0.00 H new ATOM 0 HB ILE A 23 11.591 0.982 -5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.894 1.155 -7.608 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.651 -0.273 -6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.598 2.385 -4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.069 3.381 -4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.924 3.324 -6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.229 -0.221 -6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.204 -0.092 -4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.436 1.358 -5.591 1.00 0.00 H new ATOM 366 N GLN A 24 13.858 2.898 -5.239 1.00 0.00 N ATOM 367 CA GLN A 24 14.641 3.973 -4.578 1.00 0.00 C ATOM 368 C GLN A 24 15.589 4.570 -5.611 1.00 0.00 C ATOM 369 O GLN A 24 15.890 5.747 -5.588 1.00 0.00 O ATOM 370 CB GLN A 24 15.447 3.388 -3.416 1.00 0.00 C ATOM 371 CG GLN A 24 14.498 2.707 -2.428 1.00 0.00 C ATOM 372 CD GLN A 24 15.071 1.348 -2.024 1.00 0.00 C ATOM 373 OE1 GLN A 24 14.334 0.425 -1.739 1.00 0.00 O ATOM 374 NE2 GLN A 24 16.366 1.183 -1.989 1.00 0.00 N ATOM 0 H GLN A 24 14.050 1.952 -4.910 1.00 0.00 H new ATOM 0 HA GLN A 24 13.973 4.741 -4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 24 16.176 2.669 -3.791 1.00 0.00 H new ATOM 0 HB3 GLN A 24 16.007 4.177 -2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.363 3.333 -1.546 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.515 2.579 -2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 24 16.985 1.957 -2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 24 16.758 0.280 -1.723 1.00 0.00 H new ATOM 383 N ASP A 25 16.046 3.769 -6.536 1.00 0.00 N ATOM 384 CA ASP A 25 16.952 4.302 -7.585 1.00 0.00 C ATOM 385 C ASP A 25 16.281 5.527 -8.195 1.00 0.00 C ATOM 386 O ASP A 25 16.925 6.415 -8.718 1.00 0.00 O ATOM 387 CB ASP A 25 17.175 3.239 -8.663 1.00 0.00 C ATOM 388 CG ASP A 25 18.647 3.237 -9.079 1.00 0.00 C ATOM 389 OD1 ASP A 25 19.461 2.757 -8.307 1.00 0.00 O ATOM 390 OD2 ASP A 25 18.936 3.715 -10.164 1.00 0.00 O ATOM 0 H ASP A 25 15.831 2.775 -6.608 1.00 0.00 H new ATOM 0 HA ASP A 25 17.919 4.569 -7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 25 16.891 2.257 -8.285 1.00 0.00 H new ATOM 0 HB3 ASP A 25 16.542 3.443 -9.527 1.00 0.00 H new ATOM 395 N ASN A 26 14.979 5.581 -8.112 1.00 0.00 N ATOM 396 CA ASN A 26 14.237 6.745 -8.662 1.00 0.00 C ATOM 397 C ASN A 26 14.253 7.869 -7.625 1.00 0.00 C ATOM 398 O ASN A 26 14.031 7.629 -6.454 1.00 0.00 O ATOM 399 CB ASN A 26 12.787 6.343 -8.953 1.00 0.00 C ATOM 400 CG ASN A 26 12.717 4.849 -9.285 1.00 0.00 C ATOM 401 OD1 ASN A 26 11.732 4.197 -8.999 1.00 0.00 O ATOM 402 ND2 ASN A 26 13.728 4.275 -9.880 1.00 0.00 N ATOM 0 H ASN A 26 14.396 4.862 -7.683 1.00 0.00 H new ATOM 0 HA ASN A 26 14.707 7.080 -9.587 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.159 6.562 -8.089 1.00 0.00 H new ATOM 0 HB3 ASN A 26 12.398 6.928 -9.786 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.690 3.281 -10.104 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.555 4.821 -10.121 1.00 0.00 H new ATOM 409 N PRO A 27 14.515 9.063 -8.084 1.00 0.00 N ATOM 410 CA PRO A 27 14.542 10.196 -7.133 1.00 0.00 C ATOM 411 C PRO A 27 13.124 10.730 -6.921 1.00 0.00 C ATOM 412 O PRO A 27 12.883 11.920 -6.970 1.00 0.00 O ATOM 413 CB PRO A 27 15.430 11.264 -7.781 1.00 0.00 C ATOM 414 CG PRO A 27 15.931 10.699 -9.127 1.00 0.00 C ATOM 415 CD PRO A 27 15.322 9.302 -9.300 1.00 0.00 C ATOM 0 HA PRO A 27 14.927 9.901 -6.157 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.869 12.185 -7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 27 16.271 11.509 -7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.635 11.350 -9.949 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.020 10.646 -9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 27 14.703 9.253 -10.196 1.00 0.00 H new ATOM 0 HD3 PRO A 27 16.100 8.546 -9.408 1.00 0.00 H new ATOM 423 N HIS A 28 12.183 9.856 -6.691 1.00 0.00 N ATOM 424 CA HIS A 28 10.782 10.302 -6.481 1.00 0.00 C ATOM 425 C HIS A 28 10.101 9.360 -5.487 1.00 0.00 C ATOM 426 O HIS A 28 9.349 9.778 -4.630 1.00 0.00 O ATOM 427 CB HIS A 28 10.042 10.255 -7.815 1.00 0.00 C ATOM 428 CG HIS A 28 8.914 11.250 -7.806 1.00 0.00 C ATOM 429 ND1 HIS A 28 8.610 12.031 -8.910 1.00 0.00 N ATOM 430 CD2 HIS A 28 8.007 11.601 -6.837 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.560 12.805 -8.583 1.00 0.00 C ATOM 432 NE2 HIS A 28 7.152 12.584 -7.330 1.00 0.00 N ATOM 0 H HIS A 28 12.328 8.848 -6.640 1.00 0.00 H new ATOM 0 HA HIS A 28 10.768 11.319 -6.089 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.729 10.478 -8.631 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.653 9.252 -7.991 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.963 11.179 -5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.102 13.519 -9.252 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.381 13.037 -6.840 1.00 0.00 H new ATOM 440 N ALA A 29 10.364 8.086 -5.600 1.00 0.00 N ATOM 441 CA ALA A 29 9.740 7.106 -4.669 1.00 0.00 C ATOM 442 C ALA A 29 10.405 7.211 -3.294 1.00 0.00 C ATOM 443 O ALA A 29 11.605 7.365 -3.185 1.00 0.00 O ATOM 444 CB ALA A 29 9.937 5.694 -5.223 1.00 0.00 C ATOM 0 H ALA A 29 10.986 7.682 -6.300 1.00 0.00 H new ATOM 0 HA ALA A 29 8.675 7.319 -4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.482 4.971 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.467 5.619 -6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.003 5.485 -5.315 1.00 0.00 H new ATOM 450 N VAL A 30 9.635 7.125 -2.243 1.00 0.00 N ATOM 451 CA VAL A 30 10.228 7.215 -0.879 1.00 0.00 C ATOM 452 C VAL A 30 11.025 5.935 -0.590 1.00 0.00 C ATOM 453 O VAL A 30 11.955 5.612 -1.302 1.00 0.00 O ATOM 454 CB VAL A 30 9.114 7.389 0.153 1.00 0.00 C ATOM 455 CG1 VAL A 30 9.731 7.733 1.509 1.00 0.00 C ATOM 456 CG2 VAL A 30 8.181 8.520 -0.284 1.00 0.00 C ATOM 0 H VAL A 30 8.623 6.997 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 30 10.897 8.074 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 30 8.545 6.463 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.939 7.858 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.395 6.927 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.299 8.660 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.387 8.642 0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.747 9.448 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.743 8.277 -1.252 1.00 0.00 H new ATOM 466 N VAL A 31 10.681 5.198 0.438 1.00 0.00 N ATOM 467 CA VAL A 31 11.441 3.951 0.732 1.00 0.00 C ATOM 468 C VAL A 31 10.771 3.189 1.884 1.00 0.00 C ATOM 469 O VAL A 31 9.640 3.451 2.242 1.00 0.00 O ATOM 470 CB VAL A 31 12.889 4.321 1.099 1.00 0.00 C ATOM 471 CG1 VAL A 31 12.999 4.636 2.596 1.00 0.00 C ATOM 472 CG2 VAL A 31 13.821 3.157 0.753 1.00 0.00 C ATOM 0 H VAL A 31 9.915 5.406 1.078 1.00 0.00 H new ATOM 0 HA VAL A 31 11.447 3.306 -0.147 1.00 0.00 H new ATOM 0 HB VAL A 31 13.178 5.205 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 31 14.029 4.896 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.346 5.474 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.699 3.762 3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.846 3.421 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.521 2.272 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 31 13.761 2.948 -0.315 1.00 0.00 H new ATOM 482 N GLN A 32 11.464 2.243 2.463 1.00 0.00 N ATOM 483 CA GLN A 32 10.874 1.459 3.586 1.00 0.00 C ATOM 484 C GLN A 32 11.646 1.751 4.876 1.00 0.00 C ATOM 485 O GLN A 32 12.429 2.677 4.945 1.00 0.00 O ATOM 486 CB GLN A 32 10.955 -0.039 3.269 1.00 0.00 C ATOM 487 CG GLN A 32 12.120 -0.314 2.314 1.00 0.00 C ATOM 488 CD GLN A 32 12.272 -1.824 2.123 1.00 0.00 C ATOM 489 OE1 GLN A 32 12.377 -2.300 1.010 1.00 0.00 O ATOM 490 NE2 GLN A 32 12.286 -2.601 3.170 1.00 0.00 N ATOM 0 H GLN A 32 12.415 1.980 2.205 1.00 0.00 H new ATOM 0 HA GLN A 32 9.830 1.745 3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.088 -0.607 4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.020 -0.374 2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.940 0.169 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.041 0.108 2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.198 -2.200 4.104 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.385 -3.610 3.055 1.00 0.00 H new ATOM 499 N HIS A 33 11.426 0.971 5.903 1.00 0.00 N ATOM 500 CA HIS A 33 12.143 1.212 7.188 1.00 0.00 C ATOM 501 C HIS A 33 13.467 0.438 7.201 1.00 0.00 C ATOM 502 O HIS A 33 14.448 0.869 6.628 1.00 0.00 O ATOM 503 CB HIS A 33 11.267 0.761 8.359 1.00 0.00 C ATOM 504 CG HIS A 33 10.429 1.917 8.831 1.00 0.00 C ATOM 505 ND1 HIS A 33 10.909 3.217 8.854 1.00 0.00 N ATOM 506 CD2 HIS A 33 9.140 1.985 9.298 1.00 0.00 C ATOM 507 CE1 HIS A 33 9.922 4.005 9.320 1.00 0.00 C ATOM 508 NE2 HIS A 33 8.822 3.305 9.606 1.00 0.00 N ATOM 0 H HIS A 33 10.782 0.180 5.906 1.00 0.00 H new ATOM 0 HA HIS A 33 12.354 2.277 7.286 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.626 -0.065 8.051 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.891 0.393 9.174 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.474 1.142 9.410 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.010 5.074 9.447 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.939 3.661 9.972 1.00 0.00 H new ATOM 516 N HIS A 34 13.512 -0.698 7.849 1.00 0.00 N ATOM 517 CA HIS A 34 14.785 -1.476 7.881 1.00 0.00 C ATOM 518 C HIS A 34 14.532 -2.906 8.385 1.00 0.00 C ATOM 519 O HIS A 34 14.826 -3.856 7.686 1.00 0.00 O ATOM 520 CB HIS A 34 15.802 -0.767 8.779 1.00 0.00 C ATOM 521 CG HIS A 34 17.066 -1.581 8.850 1.00 0.00 C ATOM 522 ND1 HIS A 34 17.225 -2.622 9.751 1.00 0.00 N ATOM 523 CD2 HIS A 34 18.241 -1.516 8.142 1.00 0.00 C ATOM 524 CE1 HIS A 34 18.454 -3.137 9.563 1.00 0.00 C ATOM 525 NE2 HIS A 34 19.115 -2.499 8.594 1.00 0.00 N ATOM 0 H HIS A 34 12.730 -1.117 8.353 1.00 0.00 H new ATOM 0 HA HIS A 34 15.185 -1.537 6.869 1.00 0.00 H new ATOM 0 HB2 HIS A 34 16.019 0.226 8.386 1.00 0.00 H new ATOM 0 HB3 HIS A 34 15.388 -0.632 9.778 1.00 0.00 H new ATOM 0 HD2 HIS A 34 18.454 -0.809 7.354 1.00 0.00 H new ATOM 0 HE1 HIS A 34 18.857 -3.965 10.127 1.00 0.00 H new ATOM 0 HE2 HIS A 34 20.058 -2.691 8.257 1.00 0.00 H new ATOM 533 N PRO A 35 14.002 -3.027 9.584 1.00 0.00 N ATOM 534 CA PRO A 35 13.755 -4.401 10.087 1.00 0.00 C ATOM 535 C PRO A 35 13.009 -5.237 9.043 1.00 0.00 C ATOM 536 O PRO A 35 12.709 -4.777 7.959 1.00 0.00 O ATOM 537 CB PRO A 35 12.902 -4.242 11.350 1.00 0.00 C ATOM 538 CG PRO A 35 12.767 -2.733 11.632 1.00 0.00 C ATOM 539 CD PRO A 35 13.544 -1.986 10.540 1.00 0.00 C ATOM 0 HA PRO A 35 14.692 -4.918 10.297 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.921 -4.695 11.209 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.369 -4.749 12.194 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.719 -2.435 11.628 1.00 0.00 H new ATOM 0 HG3 PRO A 35 13.163 -2.491 12.618 1.00 0.00 H new ATOM 0 HD2 PRO A 35 12.911 -1.251 10.043 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.390 -1.444 10.963 1.00 0.00 H new ATOM 547 N ALA A 36 12.714 -6.468 9.364 1.00 0.00 N ATOM 548 CA ALA A 36 11.995 -7.347 8.398 1.00 0.00 C ATOM 549 C ALA A 36 10.730 -6.649 7.897 1.00 0.00 C ATOM 550 O ALA A 36 10.215 -6.967 6.844 1.00 0.00 O ATOM 551 CB ALA A 36 11.611 -8.657 9.088 1.00 0.00 C ATOM 0 H ALA A 36 12.941 -6.904 10.258 1.00 0.00 H new ATOM 0 HA ALA A 36 12.649 -7.555 7.551 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.085 -9.300 8.382 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.512 -9.162 9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.962 -8.444 9.937 1.00 0.00 H new ATOM 557 N MET A 37 10.218 -5.703 8.635 1.00 0.00 N ATOM 558 CA MET A 37 8.985 -5.002 8.179 1.00 0.00 C ATOM 559 C MET A 37 9.293 -4.220 6.905 1.00 0.00 C ATOM 560 O MET A 37 10.427 -3.878 6.635 1.00 0.00 O ATOM 561 CB MET A 37 8.499 -4.042 9.269 1.00 0.00 C ATOM 562 CG MET A 37 8.420 -4.782 10.606 1.00 0.00 C ATOM 563 SD MET A 37 6.773 -5.509 10.798 1.00 0.00 S ATOM 564 CE MET A 37 6.561 -5.137 12.557 1.00 0.00 C ATOM 0 H MET A 37 10.597 -5.387 9.528 1.00 0.00 H new ATOM 0 HA MET A 37 8.204 -5.735 7.978 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.179 -3.194 9.351 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.520 -3.641 9.005 1.00 0.00 H new ATOM 0 HG2 MET A 37 9.180 -5.562 10.648 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.624 -4.094 11.427 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.591 -5.505 12.892 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.351 -5.622 13.129 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.612 -4.059 12.710 1.00 0.00 H new ATOM 574 N ILE A 38 8.295 -3.942 6.113 1.00 0.00 N ATOM 575 CA ILE A 38 8.536 -3.193 4.855 1.00 0.00 C ATOM 576 C ILE A 38 7.582 -1.999 4.807 1.00 0.00 C ATOM 577 O ILE A 38 6.392 -2.139 5.005 1.00 0.00 O ATOM 578 CB ILE A 38 8.282 -4.107 3.647 1.00 0.00 C ATOM 579 CG1 ILE A 38 8.199 -5.577 4.091 1.00 0.00 C ATOM 580 CG2 ILE A 38 9.425 -3.955 2.645 1.00 0.00 C ATOM 581 CD1 ILE A 38 9.602 -6.106 4.404 1.00 0.00 C ATOM 0 H ILE A 38 7.324 -4.202 6.285 1.00 0.00 H new ATOM 0 HA ILE A 38 9.569 -2.847 4.822 1.00 0.00 H new ATOM 0 HB ILE A 38 7.337 -3.820 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.563 -5.665 4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.741 -6.178 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.246 -4.603 1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 38 9.481 -2.919 2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.365 -4.234 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.536 -7.148 4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.225 -6.034 3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.044 -5.513 5.205 1.00 0.00 H new ATOM 593 N ARG A 39 8.089 -0.824 4.561 1.00 0.00 N ATOM 594 CA ARG A 39 7.200 0.370 4.519 1.00 0.00 C ATOM 595 C ARG A 39 7.394 1.122 3.202 1.00 0.00 C ATOM 596 O ARG A 39 8.355 0.912 2.490 1.00 0.00 O ATOM 597 CB ARG A 39 7.535 1.292 5.696 1.00 0.00 C ATOM 598 CG ARG A 39 6.895 2.666 5.479 1.00 0.00 C ATOM 599 CD ARG A 39 7.118 3.536 6.718 1.00 0.00 C ATOM 600 NE ARG A 39 7.735 4.831 6.313 1.00 0.00 N ATOM 601 CZ ARG A 39 7.742 5.842 7.141 1.00 0.00 C ATOM 602 NH1 ARG A 39 7.222 5.720 8.333 1.00 0.00 N ATOM 603 NH2 ARG A 39 8.275 6.976 6.777 1.00 0.00 N ATOM 0 H ARG A 39 9.077 -0.639 4.388 1.00 0.00 H new ATOM 0 HA ARG A 39 6.161 0.048 4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.172 0.855 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.616 1.395 5.792 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.329 3.146 4.602 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.828 2.555 5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.170 3.716 7.224 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.765 3.019 7.427 1.00 0.00 H new ATOM 0 HE ARG A 39 8.153 4.928 5.388 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.808 4.833 8.621 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.230 6.512 8.976 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.685 7.072 5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.282 7.767 7.421 1.00 0.00 H new ATOM 617 N ILE A 40 6.484 2.002 2.875 1.00 0.00 N ATOM 618 CA ILE A 40 6.614 2.769 1.607 1.00 0.00 C ATOM 619 C ILE A 40 5.821 4.077 1.722 1.00 0.00 C ATOM 620 O ILE A 40 5.076 4.271 2.654 1.00 0.00 O ATOM 621 CB ILE A 40 6.069 1.925 0.449 1.00 0.00 C ATOM 622 CG1 ILE A 40 7.067 0.813 0.115 1.00 0.00 C ATOM 623 CG2 ILE A 40 5.861 2.804 -0.784 1.00 0.00 C ATOM 624 CD1 ILE A 40 6.673 -0.469 0.852 1.00 0.00 C ATOM 0 H ILE A 40 5.658 2.221 3.432 1.00 0.00 H new ATOM 0 HA ILE A 40 7.662 3.002 1.419 1.00 0.00 H new ATOM 0 HB ILE A 40 5.115 1.488 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.083 0.636 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.074 1.115 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.474 2.197 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.149 3.596 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.812 3.247 -1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.385 -1.259 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.680 -0.288 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.674 -0.774 0.542 1.00 0.00 H new ATOM 636 N GLU A 41 5.983 4.988 0.795 1.00 0.00 N ATOM 637 CA GLU A 41 5.227 6.274 0.886 1.00 0.00 C ATOM 638 C GLU A 41 5.082 6.903 -0.502 1.00 0.00 C ATOM 639 O GLU A 41 5.895 6.696 -1.381 1.00 0.00 O ATOM 640 CB GLU A 41 5.983 7.235 1.804 1.00 0.00 C ATOM 641 CG GLU A 41 5.248 7.350 3.141 1.00 0.00 C ATOM 642 CD GLU A 41 6.237 7.129 4.287 1.00 0.00 C ATOM 643 OE1 GLU A 41 7.387 7.504 4.130 1.00 0.00 O ATOM 644 OE2 GLU A 41 5.828 6.588 5.301 1.00 0.00 O ATOM 0 H GLU A 41 6.599 4.899 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 41 4.233 6.078 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.999 6.876 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.062 8.216 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.785 8.333 3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.446 6.614 3.192 1.00 0.00 H new ATOM 651 N ALA A 42 4.046 7.676 -0.697 1.00 0.00 N ATOM 652 CA ALA A 42 3.830 8.335 -2.018 1.00 0.00 C ATOM 653 C ALA A 42 3.572 9.828 -1.793 1.00 0.00 C ATOM 654 O ALA A 42 3.617 10.307 -0.679 1.00 0.00 O ATOM 655 CB ALA A 42 2.623 7.705 -2.718 1.00 0.00 C ATOM 0 H ALA A 42 3.336 7.880 0.007 1.00 0.00 H new ATOM 0 HA ALA A 42 4.713 8.203 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.468 8.189 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.805 6.641 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.735 7.836 -2.100 1.00 0.00 H new ATOM 661 N GLU A 43 3.305 10.568 -2.836 1.00 0.00 N ATOM 662 CA GLU A 43 3.057 12.031 -2.665 1.00 0.00 C ATOM 663 C GLU A 43 1.912 12.484 -3.579 1.00 0.00 C ATOM 664 O GLU A 43 2.142 13.128 -4.583 1.00 0.00 O ATOM 665 CB GLU A 43 4.329 12.800 -3.037 1.00 0.00 C ATOM 666 CG GLU A 43 5.453 12.428 -2.068 1.00 0.00 C ATOM 667 CD GLU A 43 6.662 13.332 -2.317 1.00 0.00 C ATOM 668 OE1 GLU A 43 6.728 13.918 -3.385 1.00 0.00 O ATOM 669 OE2 GLU A 43 7.501 13.422 -1.436 1.00 0.00 O ATOM 0 H GLU A 43 3.248 10.226 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 43 2.786 12.229 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.623 12.564 -4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.142 13.873 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.111 12.536 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.733 11.383 -2.203 1.00 0.00 H new ATOM 676 N LYS A 44 0.680 12.170 -3.244 1.00 0.00 N ATOM 677 CA LYS A 44 -0.449 12.604 -4.114 1.00 0.00 C ATOM 678 C LYS A 44 -1.768 12.026 -3.596 1.00 0.00 C ATOM 679 O LYS A 44 -2.005 11.965 -2.406 1.00 0.00 O ATOM 680 CB LYS A 44 -0.196 12.114 -5.540 1.00 0.00 C ATOM 681 CG LYS A 44 -0.709 13.154 -6.539 1.00 0.00 C ATOM 682 CD LYS A 44 0.013 14.484 -6.308 1.00 0.00 C ATOM 683 CE LYS A 44 -1.010 15.570 -5.968 1.00 0.00 C ATOM 684 NZ LYS A 44 -0.605 16.853 -6.608 1.00 0.00 N ATOM 0 H LYS A 44 0.415 11.638 -2.415 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.516 13.692 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.870 11.943 -5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.698 11.160 -5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.540 12.809 -7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.785 13.287 -6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.734 14.382 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.574 14.765 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.000 15.274 -6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.077 15.696 -4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.300 17.591 -6.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.331 17.137 -6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.563 16.728 -7.640 1.00 0.00 H new ATOM 698 N ARG A 45 -2.638 11.618 -4.482 1.00 0.00 N ATOM 699 CA ARG A 45 -3.945 11.066 -4.041 1.00 0.00 C ATOM 700 C ARG A 45 -4.162 9.684 -4.658 1.00 0.00 C ATOM 701 O ARG A 45 -3.444 9.267 -5.545 1.00 0.00 O ATOM 702 CB ARG A 45 -5.055 12.013 -4.497 1.00 0.00 C ATOM 703 CG ARG A 45 -4.726 13.431 -4.025 1.00 0.00 C ATOM 704 CD ARG A 45 -4.112 14.223 -5.177 1.00 0.00 C ATOM 705 NE ARG A 45 -4.791 15.552 -5.286 1.00 0.00 N ATOM 706 CZ ARG A 45 -6.097 15.646 -5.306 1.00 0.00 C ATOM 707 NH1 ARG A 45 -6.842 14.578 -5.422 1.00 0.00 N ATOM 708 NH2 ARG A 45 -6.659 16.823 -5.265 1.00 0.00 N ATOM 0 H ARG A 45 -2.497 11.645 -5.492 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.958 10.971 -2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.147 11.990 -5.583 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.014 11.693 -4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.630 13.926 -3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.032 13.394 -3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.044 14.361 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.219 13.670 -6.110 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.227 16.400 -5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.407 13.659 -5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.858 14.664 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.082 17.662 -5.218 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.676 16.903 -5.280 1.00 0.00 H new ATOM 722 N LEU A 46 -5.142 8.964 -4.181 1.00 0.00 N ATOM 723 CA LEU A 46 -5.404 7.598 -4.721 1.00 0.00 C ATOM 724 C LEU A 46 -6.892 7.452 -5.054 1.00 0.00 C ATOM 725 O LEU A 46 -7.736 8.097 -4.464 1.00 0.00 O ATOM 726 CB LEU A 46 -5.016 6.543 -3.673 1.00 0.00 C ATOM 727 CG LEU A 46 -4.017 7.132 -2.668 1.00 0.00 C ATOM 728 CD1 LEU A 46 -3.628 6.063 -1.646 1.00 0.00 C ATOM 729 CD2 LEU A 46 -2.767 7.604 -3.407 1.00 0.00 C ATOM 0 H LEU A 46 -5.774 9.264 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.811 7.452 -5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.907 6.196 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.578 5.675 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.477 7.976 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.918 6.483 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.519 5.725 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.169 5.218 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.058 8.022 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.308 6.760 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.041 8.367 -4.135 1.00 0.00 H new ATOM 741 N GLU A 47 -7.221 6.602 -5.991 1.00 0.00 N ATOM 742 CA GLU A 47 -8.655 6.410 -6.356 1.00 0.00 C ATOM 743 C GLU A 47 -8.920 4.924 -6.613 1.00 0.00 C ATOM 744 O GLU A 47 -8.027 4.176 -6.957 1.00 0.00 O ATOM 745 CB GLU A 47 -8.974 7.210 -7.622 1.00 0.00 C ATOM 746 CG GLU A 47 -7.814 7.088 -8.612 1.00 0.00 C ATOM 747 CD GLU A 47 -8.368 6.907 -10.026 1.00 0.00 C ATOM 748 OE1 GLU A 47 -9.233 7.680 -10.406 1.00 0.00 O ATOM 749 OE2 GLU A 47 -7.919 5.999 -10.705 1.00 0.00 O ATOM 0 H GLU A 47 -6.559 6.033 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.287 6.758 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.893 6.840 -8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.142 8.257 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.188 7.979 -8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.182 6.240 -8.346 1.00 0.00 H new ATOM 756 N ILE A 48 -10.140 4.488 -6.447 1.00 0.00 N ATOM 757 CA ILE A 48 -10.452 3.049 -6.684 1.00 0.00 C ATOM 758 C ILE A 48 -11.904 2.905 -7.147 1.00 0.00 C ATOM 759 O ILE A 48 -12.791 3.580 -6.665 1.00 0.00 O ATOM 760 CB ILE A 48 -10.258 2.254 -5.390 1.00 0.00 C ATOM 761 CG1 ILE A 48 -9.229 2.955 -4.498 1.00 0.00 C ATOM 762 CG2 ILE A 48 -9.761 0.847 -5.726 1.00 0.00 C ATOM 763 CD1 ILE A 48 -9.073 2.177 -3.190 1.00 0.00 C ATOM 0 H ILE A 48 -10.931 5.064 -6.159 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.781 2.664 -7.452 1.00 0.00 H new ATOM 0 HB ILE A 48 -11.210 2.192 -4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.270 3.019 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -9.548 3.976 -4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.623 0.280 -4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.494 0.343 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -8.811 0.914 -6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.341 2.676 -2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.032 2.136 -2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -8.735 1.164 -3.407 1.00 0.00 H new ATOM 775 N ARG A 49 -12.149 2.023 -8.076 1.00 0.00 N ATOM 776 CA ARG A 49 -13.542 1.824 -8.572 1.00 0.00 C ATOM 777 C ARG A 49 -14.144 0.577 -7.922 1.00 0.00 C ATOM 778 O ARG A 49 -13.565 -0.010 -7.030 1.00 0.00 O ATOM 779 CB ARG A 49 -13.533 1.653 -10.094 1.00 0.00 C ATOM 780 CG ARG A 49 -12.260 0.922 -10.524 1.00 0.00 C ATOM 781 CD ARG A 49 -12.394 0.475 -11.981 1.00 0.00 C ATOM 782 NE ARG A 49 -11.154 0.831 -12.727 1.00 0.00 N ATOM 783 CZ ARG A 49 -10.915 0.296 -13.894 1.00 0.00 C ATOM 784 NH1 ARG A 49 -11.765 -0.545 -14.419 1.00 0.00 N ATOM 785 NH2 ARG A 49 -9.824 0.607 -14.540 1.00 0.00 N ATOM 0 H ARG A 49 -11.444 1.430 -8.514 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.142 2.696 -8.312 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.411 1.091 -10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.586 2.628 -10.579 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.396 1.577 -10.412 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.090 0.058 -9.882 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.563 -0.601 -12.028 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.258 0.954 -12.441 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.491 1.494 -12.325 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.620 -0.786 -13.917 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.574 -0.960 -15.331 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.161 1.266 -14.133 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.635 0.191 -15.452 1.00 0.00 H new ATOM 799 N ARG A 50 -15.300 0.164 -8.365 1.00 0.00 N ATOM 800 CA ARG A 50 -15.931 -1.048 -7.773 1.00 0.00 C ATOM 801 C ARG A 50 -15.219 -2.293 -8.300 1.00 0.00 C ATOM 802 O ARG A 50 -15.094 -3.287 -7.613 1.00 0.00 O ATOM 803 CB ARG A 50 -17.411 -1.103 -8.161 1.00 0.00 C ATOM 804 CG ARG A 50 -18.154 -2.034 -7.201 1.00 0.00 C ATOM 805 CD ARG A 50 -19.463 -1.378 -6.763 1.00 0.00 C ATOM 806 NE ARG A 50 -20.558 -2.399 -6.747 1.00 0.00 N ATOM 807 CZ ARG A 50 -20.777 -3.179 -7.775 1.00 0.00 C ATOM 808 NH1 ARG A 50 -20.171 -2.966 -8.914 1.00 0.00 N ATOM 809 NH2 ARG A 50 -21.649 -4.145 -7.679 1.00 0.00 N ATOM 0 H ARG A 50 -15.833 0.613 -9.110 1.00 0.00 H new ATOM 0 HA ARG A 50 -15.847 -1.008 -6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -17.845 -0.104 -8.125 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -17.517 -1.460 -9.186 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -18.358 -2.988 -7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -17.533 -2.247 -6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.347 -0.939 -5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -19.720 -0.566 -7.443 1.00 0.00 H new ATOM 0 HE ARG A 50 -21.145 -2.489 -5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -19.520 -2.186 -9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -20.349 -3.580 -9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -22.156 -4.289 -6.806 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -21.823 -4.756 -8.477 1.00 0.00 H new ATOM 823 N GLU A 51 -14.747 -2.245 -9.516 1.00 0.00 N ATOM 824 CA GLU A 51 -14.039 -3.423 -10.088 1.00 0.00 C ATOM 825 C GLU A 51 -12.965 -3.893 -9.106 1.00 0.00 C ATOM 826 O GLU A 51 -12.781 -5.075 -8.890 1.00 0.00 O ATOM 827 CB GLU A 51 -13.381 -3.030 -11.410 1.00 0.00 C ATOM 828 CG GLU A 51 -14.410 -2.346 -12.312 1.00 0.00 C ATOM 829 CD GLU A 51 -14.248 -2.857 -13.745 1.00 0.00 C ATOM 830 OE1 GLU A 51 -13.624 -3.892 -13.917 1.00 0.00 O ATOM 831 OE2 GLU A 51 -14.751 -2.206 -14.646 1.00 0.00 O ATOM 0 H GLU A 51 -14.822 -1.440 -10.138 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.753 -4.228 -10.263 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.542 -2.359 -11.225 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.979 -3.914 -11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.418 -2.551 -11.953 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.275 -1.265 -12.282 1.00 0.00 H new ATOM 838 N THR A 52 -12.256 -2.979 -8.506 1.00 0.00 N ATOM 839 CA THR A 52 -11.202 -3.384 -7.537 1.00 0.00 C ATOM 840 C THR A 52 -11.870 -3.966 -6.296 1.00 0.00 C ATOM 841 O THR A 52 -11.503 -5.020 -5.819 1.00 0.00 O ATOM 842 CB THR A 52 -10.371 -2.165 -7.143 1.00 0.00 C ATOM 843 OG1 THR A 52 -10.193 -1.327 -8.276 1.00 0.00 O ATOM 844 CG2 THR A 52 -9.008 -2.618 -6.618 1.00 0.00 C ATOM 0 H THR A 52 -12.360 -1.974 -8.644 1.00 0.00 H new ATOM 0 HA THR A 52 -10.550 -4.130 -7.992 1.00 0.00 H new ATOM 0 HB THR A 52 -10.890 -1.611 -6.361 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.534 -0.632 -8.068 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.418 -1.746 -6.338 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.148 -3.257 -5.746 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.485 -3.175 -7.396 1.00 0.00 H new ATOM 852 N VAL A 53 -12.858 -3.296 -5.772 1.00 0.00 N ATOM 853 CA VAL A 53 -13.550 -3.833 -4.573 1.00 0.00 C ATOM 854 C VAL A 53 -13.910 -5.290 -4.849 1.00 0.00 C ATOM 855 O VAL A 53 -14.014 -6.102 -3.950 1.00 0.00 O ATOM 856 CB VAL A 53 -14.820 -3.024 -4.305 1.00 0.00 C ATOM 857 CG1 VAL A 53 -15.447 -3.478 -2.986 1.00 0.00 C ATOM 858 CG2 VAL A 53 -14.462 -1.538 -4.214 1.00 0.00 C ATOM 0 H VAL A 53 -13.213 -2.406 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.904 -3.764 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.531 -3.181 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -16.352 -2.901 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.698 -4.537 -3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -14.738 -3.320 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.364 -0.957 -4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.752 -1.384 -3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -14.014 -1.214 -5.153 1.00 0.00 H new ATOM 868 N GLU A 54 -14.080 -5.629 -6.099 1.00 0.00 N ATOM 869 CA GLU A 54 -14.411 -7.033 -6.454 1.00 0.00 C ATOM 870 C GLU A 54 -13.144 -7.878 -6.307 1.00 0.00 C ATOM 871 O GLU A 54 -13.169 -8.966 -5.767 1.00 0.00 O ATOM 872 CB GLU A 54 -14.916 -7.089 -7.901 1.00 0.00 C ATOM 873 CG GLU A 54 -14.817 -8.521 -8.432 1.00 0.00 C ATOM 874 CD GLU A 54 -16.157 -8.934 -9.045 1.00 0.00 C ATOM 875 OE1 GLU A 54 -16.709 -8.149 -9.797 1.00 0.00 O ATOM 876 OE2 GLU A 54 -16.608 -10.029 -8.751 1.00 0.00 O ATOM 0 H GLU A 54 -14.003 -4.989 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 54 -15.191 -7.418 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -15.949 -6.745 -7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.328 -6.418 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.027 -8.589 -9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.550 -9.202 -7.624 1.00 0.00 H new ATOM 883 N GLU A 55 -12.030 -7.379 -6.774 1.00 0.00 N ATOM 884 CA GLU A 55 -10.765 -8.155 -6.644 1.00 0.00 C ATOM 885 C GLU A 55 -10.544 -8.490 -5.169 1.00 0.00 C ATOM 886 O GLU A 55 -10.308 -9.626 -4.805 1.00 0.00 O ATOM 887 CB GLU A 55 -9.591 -7.319 -7.160 1.00 0.00 C ATOM 888 CG GLU A 55 -8.317 -8.168 -7.147 1.00 0.00 C ATOM 889 CD GLU A 55 -7.255 -7.512 -8.032 1.00 0.00 C ATOM 890 OE1 GLU A 55 -7.273 -7.758 -9.226 1.00 0.00 O ATOM 891 OE2 GLU A 55 -6.441 -6.775 -7.499 1.00 0.00 O ATOM 0 H GLU A 55 -11.943 -6.474 -7.236 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.832 -9.072 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.797 -6.968 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.458 -6.435 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.945 -8.268 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.534 -9.174 -7.507 1.00 0.00 H new ATOM 898 N ASN A 56 -10.630 -7.507 -4.315 1.00 0.00 N ATOM 899 CA ASN A 56 -10.437 -7.765 -2.863 1.00 0.00 C ATOM 900 C ASN A 56 -11.487 -8.772 -2.392 1.00 0.00 C ATOM 901 O ASN A 56 -11.235 -9.583 -1.525 1.00 0.00 O ATOM 902 CB ASN A 56 -10.594 -6.457 -2.085 1.00 0.00 C ATOM 903 CG ASN A 56 -9.322 -6.186 -1.280 1.00 0.00 C ATOM 904 OD1 ASN A 56 -8.495 -5.390 -1.678 1.00 0.00 O ATOM 905 ND2 ASN A 56 -9.128 -6.820 -0.156 1.00 0.00 N ATOM 0 H ASN A 56 -10.826 -6.537 -4.562 1.00 0.00 H new ATOM 0 HA ASN A 56 -9.439 -8.167 -2.689 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.784 -5.633 -2.773 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.453 -6.520 -1.417 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.283 -6.647 0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.822 -7.488 0.179 1.00 0.00 H new ATOM 912 N LEU A 57 -12.661 -8.732 -2.963 1.00 0.00 N ATOM 913 CA LEU A 57 -13.720 -9.695 -2.551 1.00 0.00 C ATOM 914 C LEU A 57 -13.201 -11.117 -2.752 1.00 0.00 C ATOM 915 O LEU A 57 -13.241 -11.936 -1.856 1.00 0.00 O ATOM 916 CB LEU A 57 -14.970 -9.485 -3.406 1.00 0.00 C ATOM 917 CG LEU A 57 -15.998 -10.570 -3.083 1.00 0.00 C ATOM 918 CD1 LEU A 57 -16.853 -10.129 -1.894 1.00 0.00 C ATOM 919 CD2 LEU A 57 -16.892 -10.795 -4.303 1.00 0.00 C ATOM 0 H LEU A 57 -12.931 -8.075 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.973 -9.535 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.394 -8.499 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -14.710 -9.519 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 57 -15.484 -11.497 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -17.585 -10.903 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.214 -9.966 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -17.371 -9.202 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -17.627 -11.568 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -17.406 -9.867 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -16.281 -11.111 -5.149 1.00 0.00 H new ATOM 931 N GLY A 58 -12.704 -11.416 -3.921 1.00 0.00 N ATOM 932 CA GLY A 58 -12.170 -12.782 -4.168 1.00 0.00 C ATOM 933 C GLY A 58 -10.907 -12.970 -3.327 1.00 0.00 C ATOM 934 O GLY A 58 -10.430 -14.071 -3.137 1.00 0.00 O ATOM 0 H GLY A 58 -12.645 -10.775 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.915 -13.533 -3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.944 -12.914 -5.226 1.00 0.00 H new ATOM 938 N ARG A 59 -10.366 -11.893 -2.820 1.00 0.00 N ATOM 939 CA ARG A 59 -9.135 -11.993 -1.984 1.00 0.00 C ATOM 940 C ARG A 59 -9.469 -11.602 -0.543 1.00 0.00 C ATOM 941 O ARG A 59 -8.595 -11.340 0.260 1.00 0.00 O ATOM 942 CB ARG A 59 -8.070 -11.042 -2.534 1.00 0.00 C ATOM 943 CG ARG A 59 -6.683 -11.523 -2.104 1.00 0.00 C ATOM 944 CD ARG A 59 -6.069 -10.512 -1.134 1.00 0.00 C ATOM 945 NE ARG A 59 -5.919 -9.196 -1.817 1.00 0.00 N ATOM 946 CZ ARG A 59 -5.709 -8.113 -1.116 1.00 0.00 C ATOM 947 NH1 ARG A 59 -5.633 -8.180 0.186 1.00 0.00 N ATOM 948 NH2 ARG A 59 -5.575 -6.963 -1.718 1.00 0.00 N ATOM 0 H ARG A 59 -10.725 -10.947 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.758 -13.016 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.131 -11.001 -3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.246 -10.031 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.757 -12.501 -1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.041 -11.641 -2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.702 -10.406 -0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.098 -10.867 -0.788 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.980 -9.140 -2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.738 -9.078 0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.469 -7.334 0.732 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.634 -6.910 -2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.411 -6.117 -1.172 1.00 0.00 H new ATOM 962 N ALA A 60 -10.729 -11.560 -0.212 1.00 0.00 N ATOM 963 CA ALA A 60 -11.129 -11.185 1.173 1.00 0.00 C ATOM 964 C ALA A 60 -10.675 -12.274 2.146 1.00 0.00 C ATOM 965 O ALA A 60 -10.568 -12.052 3.336 1.00 0.00 O ATOM 966 CB ALA A 60 -12.652 -11.043 1.240 1.00 0.00 C ATOM 0 H ALA A 60 -11.502 -11.770 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.662 -10.238 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.948 -10.769 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.976 -10.269 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -13.118 -11.991 0.970 1.00 0.00 H new ATOM 972 N TRP A 61 -10.407 -13.450 1.649 1.00 0.00 N ATOM 973 CA TRP A 61 -9.959 -14.552 2.544 1.00 0.00 C ATOM 974 C TRP A 61 -8.434 -14.522 2.662 1.00 0.00 C ATOM 975 O TRP A 61 -7.787 -15.547 2.750 1.00 0.00 O ATOM 976 CB TRP A 61 -10.398 -15.894 1.959 1.00 0.00 C ATOM 977 CG TRP A 61 -10.673 -16.854 3.070 1.00 0.00 C ATOM 978 CD1 TRP A 61 -10.269 -16.695 4.351 1.00 0.00 C ATOM 979 CD2 TRP A 61 -11.402 -18.113 3.023 1.00 0.00 C ATOM 980 NE1 TRP A 61 -10.705 -17.777 5.094 1.00 0.00 N ATOM 981 CE2 TRP A 61 -11.408 -18.679 4.320 1.00 0.00 C ATOM 982 CE3 TRP A 61 -12.053 -18.813 1.991 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -12.037 -19.895 4.584 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -12.688 -20.038 2.253 1.00 0.00 C ATOM 985 CH2 TRP A 61 -12.680 -20.578 3.547 1.00 0.00 C ATOM 0 H TRP A 61 -10.479 -13.695 0.661 1.00 0.00 H new ATOM 0 HA TRP A 61 -10.404 -14.423 3.531 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -11.291 -15.762 1.348 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -9.621 -16.290 1.306 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.699 -15.860 4.731 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -10.529 -17.894 6.092 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -12.065 -18.406 0.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -12.028 -20.307 5.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -13.185 -20.567 1.453 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -13.170 -21.520 3.743 1.00 0.00 H new ATOM 996 N ASP A 62 -7.856 -13.353 2.665 1.00 0.00 N ATOM 997 CA ASP A 62 -6.374 -13.255 2.778 1.00 0.00 C ATOM 998 C ASP A 62 -5.999 -12.799 4.191 1.00 0.00 C ATOM 999 O ASP A 62 -4.847 -12.546 4.486 1.00 0.00 O ATOM 1000 CB ASP A 62 -5.855 -12.239 1.758 1.00 0.00 C ATOM 1001 CG ASP A 62 -4.334 -12.127 1.875 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -3.665 -13.110 1.600 1.00 0.00 O ATOM 1003 OD2 ASP A 62 -3.864 -11.061 2.235 1.00 0.00 O ATOM 0 H ASP A 62 -8.346 -12.461 2.594 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.927 -14.230 2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.131 -12.547 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.316 -11.267 1.931 1.00 0.00 H new ATOM 1008 N VAL A 63 -6.961 -12.691 5.067 1.00 0.00 N ATOM 1009 CA VAL A 63 -6.659 -12.250 6.459 1.00 0.00 C ATOM 1010 C VAL A 63 -5.539 -13.117 7.039 1.00 0.00 C ATOM 1011 O VAL A 63 -4.653 -12.631 7.714 1.00 0.00 O ATOM 1012 CB VAL A 63 -7.912 -12.396 7.323 1.00 0.00 C ATOM 1013 CG1 VAL A 63 -7.770 -11.535 8.580 1.00 0.00 C ATOM 1014 CG2 VAL A 63 -9.137 -11.934 6.529 1.00 0.00 C ATOM 0 H VAL A 63 -7.944 -12.889 4.879 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.343 -11.207 6.448 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.034 -13.441 7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.664 -11.640 9.195 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.898 -11.861 9.148 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.647 -10.491 8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.030 -12.038 7.145 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.013 -10.889 6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.241 -12.545 5.633 1.00 0.00 H new ATOM 1024 N GLN A 64 -5.569 -14.397 6.782 1.00 0.00 N ATOM 1025 CA GLN A 64 -4.501 -15.285 7.321 1.00 0.00 C ATOM 1026 C GLN A 64 -3.135 -14.715 6.939 1.00 0.00 C ATOM 1027 O GLN A 64 -2.211 -14.707 7.729 1.00 0.00 O ATOM 1028 CB GLN A 64 -4.653 -16.690 6.733 1.00 0.00 C ATOM 1029 CG GLN A 64 -5.757 -17.443 7.479 1.00 0.00 C ATOM 1030 CD GLN A 64 -7.107 -17.155 6.821 1.00 0.00 C ATOM 1031 OE1 GLN A 64 -7.426 -17.715 5.791 1.00 0.00 O ATOM 1032 NE2 GLN A 64 -7.920 -16.297 7.376 1.00 0.00 N ATOM 0 H GLN A 64 -6.284 -14.864 6.224 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.585 -15.341 8.406 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.895 -16.627 5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.711 -17.232 6.813 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.555 -18.514 7.465 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.778 -17.137 8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.653 -15.827 8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.823 -16.097 6.945 1.00 0.00 H new ATOM 1041 N GLU A 65 -3.001 -14.229 5.736 1.00 0.00 N ATOM 1042 CA GLU A 65 -1.696 -13.653 5.310 1.00 0.00 C ATOM 1043 C GLU A 65 -1.495 -12.305 6.004 1.00 0.00 C ATOM 1044 O GLU A 65 -0.384 -11.880 6.252 1.00 0.00 O ATOM 1045 CB GLU A 65 -1.693 -13.454 3.793 1.00 0.00 C ATOM 1046 CG GLU A 65 -0.758 -14.478 3.146 1.00 0.00 C ATOM 1047 CD GLU A 65 -1.495 -15.808 2.977 1.00 0.00 C ATOM 1048 OE1 GLU A 65 -2.592 -15.926 3.497 1.00 0.00 O ATOM 1049 OE2 GLU A 65 -0.948 -16.687 2.330 1.00 0.00 O ATOM 0 H GLU A 65 -3.738 -14.206 5.031 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.888 -14.332 5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.703 -13.568 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.367 -12.443 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.417 -14.113 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.129 -14.618 3.764 1.00 0.00 H new ATOM 1056 N MET A 66 -2.566 -11.629 6.324 1.00 0.00 N ATOM 1057 CA MET A 66 -2.440 -10.311 7.006 1.00 0.00 C ATOM 1058 C MET A 66 -1.989 -10.531 8.450 1.00 0.00 C ATOM 1059 O MET A 66 -1.614 -9.605 9.142 1.00 0.00 O ATOM 1060 CB MET A 66 -3.795 -9.601 6.998 1.00 0.00 C ATOM 1061 CG MET A 66 -3.692 -8.314 6.178 1.00 0.00 C ATOM 1062 SD MET A 66 -4.482 -6.959 7.081 1.00 0.00 S ATOM 1063 CE MET A 66 -3.154 -6.680 8.279 1.00 0.00 C ATOM 0 H MET A 66 -3.522 -11.934 6.142 1.00 0.00 H new ATOM 0 HA MET A 66 -1.706 -9.698 6.483 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.557 -10.255 6.574 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.103 -9.371 8.018 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.646 -8.076 5.985 1.00 0.00 H new ATOM 0 HG3 MET A 66 -4.172 -8.448 5.209 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.532 -6.851 9.287 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.332 -7.367 8.078 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.797 -5.653 8.194 1.00 0.00 H new ATOM 1073 N LEU A 67 -2.027 -11.750 8.912 1.00 0.00 N ATOM 1074 CA LEU A 67 -1.606 -12.029 10.313 1.00 0.00 C ATOM 1075 C LEU A 67 -0.083 -11.957 10.424 1.00 0.00 C ATOM 1076 O LEU A 67 0.456 -11.210 11.216 1.00 0.00 O ATOM 1077 CB LEU A 67 -2.077 -13.425 10.718 1.00 0.00 C ATOM 1078 CG LEU A 67 -3.258 -13.299 11.677 1.00 0.00 C ATOM 1079 CD1 LEU A 67 -2.788 -12.638 12.973 1.00 0.00 C ATOM 1080 CD2 LEU A 67 -4.345 -12.438 11.029 1.00 0.00 C ATOM 0 H LEU A 67 -2.331 -12.565 8.380 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.050 -11.285 10.974 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.369 -13.993 9.835 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.263 -13.972 11.194 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.660 -14.288 11.898 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.629 -12.546 13.660 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.010 -13.248 13.431 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.390 -11.648 12.753 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.190 -12.345 11.711 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.944 -11.448 10.812 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.676 -12.907 10.102 1.00 0.00 H new ATOM 1092 N VAL A 68 0.618 -12.737 9.648 1.00 0.00 N ATOM 1093 CA VAL A 68 2.105 -12.718 9.727 1.00 0.00 C ATOM 1094 C VAL A 68 2.672 -11.688 8.744 1.00 0.00 C ATOM 1095 O VAL A 68 3.536 -10.906 9.086 1.00 0.00 O ATOM 1096 CB VAL A 68 2.648 -14.115 9.402 1.00 0.00 C ATOM 1097 CG1 VAL A 68 2.729 -14.317 7.886 1.00 0.00 C ATOM 1098 CG2 VAL A 68 4.043 -14.269 10.012 1.00 0.00 C ATOM 0 H VAL A 68 0.226 -13.385 8.964 1.00 0.00 H new ATOM 0 HA VAL A 68 2.410 -12.438 10.735 1.00 0.00 H new ATOM 0 HB VAL A 68 1.975 -14.863 9.820 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.116 -15.313 7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.735 -14.213 7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.394 -13.569 7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.433 -15.261 9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.708 -13.513 9.595 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.983 -14.143 11.093 1.00 0.00 H new ATOM 1108 N ASP A 69 2.201 -11.679 7.526 1.00 0.00 N ATOM 1109 CA ASP A 69 2.736 -10.687 6.544 1.00 0.00 C ATOM 1110 C ASP A 69 1.739 -9.543 6.362 1.00 0.00 C ATOM 1111 O ASP A 69 0.539 -9.728 6.419 1.00 0.00 O ATOM 1112 CB ASP A 69 2.996 -11.346 5.177 1.00 0.00 C ATOM 1113 CG ASP A 69 2.330 -12.723 5.113 1.00 0.00 C ATOM 1114 OD1 ASP A 69 1.164 -12.780 4.764 1.00 0.00 O ATOM 1115 OD2 ASP A 69 3.001 -13.698 5.410 1.00 0.00 O ATOM 0 H ASP A 69 1.479 -12.305 7.170 1.00 0.00 H new ATOM 0 HA ASP A 69 3.678 -10.303 6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.609 -10.711 4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.069 -11.446 5.012 1.00 0.00 H new ATOM 1120 N VAL A 70 2.239 -8.362 6.131 1.00 0.00 N ATOM 1121 CA VAL A 70 1.343 -7.182 5.927 1.00 0.00 C ATOM 1122 C VAL A 70 1.238 -6.905 4.417 1.00 0.00 C ATOM 1123 O VAL A 70 1.756 -7.660 3.618 1.00 0.00 O ATOM 1124 CB VAL A 70 1.924 -5.975 6.675 1.00 0.00 C ATOM 1125 CG1 VAL A 70 0.879 -4.862 6.765 1.00 0.00 C ATOM 1126 CG2 VAL A 70 2.322 -6.403 8.090 1.00 0.00 C ATOM 0 H VAL A 70 3.237 -8.159 6.074 1.00 0.00 H new ATOM 0 HA VAL A 70 0.345 -7.377 6.319 1.00 0.00 H new ATOM 0 HB VAL A 70 2.797 -5.607 6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.300 -4.009 7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.588 -4.555 5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.003 -5.228 7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.736 -5.549 8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.444 -6.772 8.619 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.071 -7.193 8.034 1.00 0.00 H new ATOM 1136 N ILE A 71 0.561 -5.860 3.998 1.00 0.00 N ATOM 1137 CA ILE A 71 0.441 -5.621 2.527 1.00 0.00 C ATOM 1138 C ILE A 71 0.663 -4.144 2.159 1.00 0.00 C ATOM 1139 O ILE A 71 1.227 -3.848 1.127 1.00 0.00 O ATOM 1140 CB ILE A 71 -0.954 -6.042 2.057 1.00 0.00 C ATOM 1141 CG1 ILE A 71 -1.958 -5.894 3.204 1.00 0.00 C ATOM 1142 CG2 ILE A 71 -0.921 -7.499 1.595 1.00 0.00 C ATOM 1143 CD1 ILE A 71 -3.364 -5.713 2.629 1.00 0.00 C ATOM 0 H ILE A 71 0.097 -5.178 4.597 1.00 0.00 H new ATOM 0 HA ILE A 71 1.213 -6.212 2.035 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.259 -5.403 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.926 -6.775 3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.694 -5.038 3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.915 -7.797 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.215 -7.604 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.610 -8.136 2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.080 -5.608 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.390 -4.819 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.626 -6.583 2.027 1.00 0.00 H new ATOM 1155 N THR A 72 0.206 -3.215 2.961 1.00 0.00 N ATOM 1156 CA THR A 72 0.379 -1.778 2.610 1.00 0.00 C ATOM 1157 C THR A 72 -0.449 -0.923 3.598 1.00 0.00 C ATOM 1158 O THR A 72 -0.600 -1.289 4.732 1.00 0.00 O ATOM 1159 CB THR A 72 -0.133 -1.582 1.183 1.00 0.00 C ATOM 1160 OG1 THR A 72 -0.953 -2.683 0.818 1.00 0.00 O ATOM 1161 CG2 THR A 72 1.044 -1.482 0.210 1.00 0.00 C ATOM 0 H THR A 72 -0.278 -3.392 3.841 1.00 0.00 H new ATOM 0 HA THR A 72 1.425 -1.477 2.673 1.00 0.00 H new ATOM 0 HB THR A 72 -0.713 -0.660 1.138 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.418 -3.340 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.668 -1.343 -0.803 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.671 -0.634 0.484 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.633 -2.398 0.255 1.00 0.00 H new ATOM 1169 N ILE A 73 -0.963 0.213 3.180 1.00 0.00 N ATOM 1170 CA ILE A 73 -1.801 1.077 4.072 1.00 0.00 C ATOM 1171 C ILE A 73 -2.160 2.345 3.281 1.00 0.00 C ATOM 1172 O ILE A 73 -2.614 2.252 2.158 1.00 0.00 O ATOM 1173 CB ILE A 73 -1.102 1.368 5.417 1.00 0.00 C ATOM 1174 CG1 ILE A 73 -2.082 2.089 6.347 1.00 0.00 C ATOM 1175 CG2 ILE A 73 0.131 2.229 5.226 1.00 0.00 C ATOM 1176 CD1 ILE A 73 -2.758 1.072 7.266 1.00 0.00 C ATOM 0 H ILE A 73 -0.833 0.583 2.238 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.719 0.562 4.353 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.790 0.419 5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.554 2.836 6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.832 2.620 5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.599 2.415 6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.837 1.714 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.155 3.178 4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.455 1.586 7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.300 0.342 6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.002 0.561 7.862 1.00 0.00 H new ATOM 1188 N GLY A 74 -1.962 3.515 3.807 1.00 0.00 N ATOM 1189 CA GLY A 74 -2.295 4.732 3.023 1.00 0.00 C ATOM 1190 C GLY A 74 -2.266 5.960 3.930 1.00 0.00 C ATOM 1191 O GLY A 74 -1.223 6.416 4.353 1.00 0.00 O ATOM 0 H GLY A 74 -1.586 3.683 4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.583 4.855 2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.282 4.626 2.572 1.00 0.00 H new ATOM 1195 N GLY A 75 -3.412 6.495 4.223 1.00 0.00 N ATOM 1196 CA GLY A 75 -3.484 7.700 5.099 1.00 0.00 C ATOM 1197 C GLY A 75 -4.898 7.830 5.670 1.00 0.00 C ATOM 1198 O GLY A 75 -5.109 7.704 6.860 1.00 0.00 O ATOM 0 H GLY A 75 -4.313 6.149 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.759 7.618 5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.226 8.593 4.530 1.00 0.00 H new ATOM 1202 N ASN A 76 -5.871 8.073 4.832 1.00 0.00 N ATOM 1203 CA ASN A 76 -7.270 8.202 5.331 1.00 0.00 C ATOM 1204 C ASN A 76 -8.151 7.206 4.579 1.00 0.00 C ATOM 1205 O ASN A 76 -7.708 6.141 4.197 1.00 0.00 O ATOM 1206 CB ASN A 76 -7.770 9.627 5.078 1.00 0.00 C ATOM 1207 CG ASN A 76 -8.773 10.024 6.164 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -8.953 11.193 6.440 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -9.439 9.095 6.795 1.00 0.00 N ATOM 0 H ASN A 76 -5.757 8.187 3.825 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.308 7.995 6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.930 10.322 5.074 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.239 9.689 4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.110 9.351 7.519 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.288 8.113 6.564 1.00 0.00 H new ATOM 1216 N VAL A 77 -9.387 7.542 4.347 1.00 0.00 N ATOM 1217 CA VAL A 77 -10.270 6.605 3.601 1.00 0.00 C ATOM 1218 C VAL A 77 -11.675 7.199 3.474 1.00 0.00 C ATOM 1219 O VAL A 77 -12.507 7.040 4.345 1.00 0.00 O ATOM 1220 CB VAL A 77 -10.338 5.272 4.346 1.00 0.00 C ATOM 1221 CG1 VAL A 77 -10.855 5.505 5.765 1.00 0.00 C ATOM 1222 CG2 VAL A 77 -11.286 4.327 3.609 1.00 0.00 C ATOM 0 H VAL A 77 -9.822 8.417 4.639 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.863 6.444 2.603 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.343 4.830 4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -10.903 4.554 6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.181 6.180 6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.850 5.947 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.336 3.376 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.281 4.771 3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.919 4.160 2.597 1.00 0.00 H new ATOM 1232 N ASP A 78 -11.948 7.878 2.393 1.00 0.00 N ATOM 1233 CA ASP A 78 -13.300 8.477 2.207 1.00 0.00 C ATOM 1234 C ASP A 78 -14.058 7.684 1.139 1.00 0.00 C ATOM 1235 O ASP A 78 -13.521 7.360 0.098 1.00 0.00 O ATOM 1236 CB ASP A 78 -13.175 9.939 1.754 1.00 0.00 C ATOM 1237 CG ASP A 78 -11.724 10.418 1.877 1.00 0.00 C ATOM 1238 OD1 ASP A 78 -11.356 10.857 2.954 1.00 0.00 O ATOM 1239 OD2 ASP A 78 -11.009 10.337 0.893 1.00 0.00 O ATOM 0 H ASP A 78 -11.292 8.044 1.630 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.839 8.442 3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.510 10.036 0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.825 10.570 2.360 1.00 0.00 H new ATOM 1244 N GLU A 79 -15.301 7.368 1.385 1.00 0.00 N ATOM 1245 CA GLU A 79 -16.085 6.598 0.378 1.00 0.00 C ATOM 1246 C GLU A 79 -17.281 7.432 -0.084 1.00 0.00 C ATOM 1247 O GLU A 79 -17.737 8.319 0.611 1.00 0.00 O ATOM 1248 CB GLU A 79 -16.583 5.293 1.002 1.00 0.00 C ATOM 1249 CG GLU A 79 -17.259 5.588 2.342 1.00 0.00 C ATOM 1250 CD GLU A 79 -17.872 4.302 2.899 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -18.457 3.564 2.123 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -17.745 4.076 4.091 1.00 0.00 O ATOM 0 H GLU A 79 -15.806 7.609 2.238 1.00 0.00 H new ATOM 0 HA GLU A 79 -15.449 6.369 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -17.286 4.802 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.749 4.607 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.532 5.992 3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -18.032 6.345 2.212 1.00 0.00 H new ATOM 1259 N ASP A 80 -17.792 7.158 -1.253 1.00 0.00 N ATOM 1260 CA ASP A 80 -18.955 7.937 -1.761 1.00 0.00 C ATOM 1261 C ASP A 80 -20.204 7.049 -1.767 1.00 0.00 C ATOM 1262 O ASP A 80 -20.888 6.918 -0.771 1.00 0.00 O ATOM 1263 CB ASP A 80 -18.657 8.417 -3.183 1.00 0.00 C ATOM 1264 CG ASP A 80 -17.815 9.693 -3.127 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -17.526 10.141 -2.029 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -17.472 10.199 -4.182 1.00 0.00 O ATOM 0 H ASP A 80 -17.453 6.427 -1.879 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.130 8.797 -1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -18.125 7.642 -3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.588 8.607 -3.716 1.00 0.00 H new ATOM 1271 N ASP A 81 -20.507 6.437 -2.881 1.00 0.00 N ATOM 1272 CA ASP A 81 -21.708 5.561 -2.949 1.00 0.00 C ATOM 1273 C ASP A 81 -21.265 4.097 -2.967 1.00 0.00 C ATOM 1274 O ASP A 81 -21.442 3.371 -2.009 1.00 0.00 O ATOM 1275 CB ASP A 81 -22.486 5.873 -4.227 1.00 0.00 C ATOM 1276 CG ASP A 81 -23.231 7.198 -4.062 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -22.643 8.226 -4.356 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -24.376 7.162 -3.645 1.00 0.00 O ATOM 0 H ASP A 81 -19.972 6.507 -3.747 1.00 0.00 H new ATOM 0 HA ASP A 81 -22.343 5.739 -2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -21.804 5.931 -5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -23.193 5.071 -4.440 1.00 0.00 H new ATOM 1283 N ASP A 82 -20.684 3.661 -4.050 1.00 0.00 N ATOM 1284 CA ASP A 82 -20.222 2.248 -4.133 1.00 0.00 C ATOM 1285 C ASP A 82 -18.735 2.222 -4.496 1.00 0.00 C ATOM 1286 O ASP A 82 -18.107 1.182 -4.511 1.00 0.00 O ATOM 1287 CB ASP A 82 -21.024 1.511 -5.208 1.00 0.00 C ATOM 1288 CG ASP A 82 -22.167 0.736 -4.550 1.00 0.00 C ATOM 1289 OD1 ASP A 82 -22.897 1.336 -3.778 1.00 0.00 O ATOM 1290 OD2 ASP A 82 -22.293 -0.445 -4.829 1.00 0.00 O ATOM 0 H ASP A 82 -20.509 4.224 -4.883 1.00 0.00 H new ATOM 0 HA ASP A 82 -20.371 1.758 -3.171 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -21.422 2.222 -5.932 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -20.375 0.828 -5.756 1.00 0.00 H new ATOM 1295 N ARG A 83 -18.169 3.361 -4.791 1.00 0.00 N ATOM 1296 CA ARG A 83 -16.727 3.409 -5.156 1.00 0.00 C ATOM 1297 C ARG A 83 -15.890 3.637 -3.894 1.00 0.00 C ATOM 1298 O ARG A 83 -16.386 3.566 -2.787 1.00 0.00 O ATOM 1299 CB ARG A 83 -16.498 4.560 -6.138 1.00 0.00 C ATOM 1300 CG ARG A 83 -16.117 3.997 -7.509 1.00 0.00 C ATOM 1301 CD ARG A 83 -17.308 4.124 -8.461 1.00 0.00 C ATOM 1302 NE ARG A 83 -17.422 2.887 -9.285 1.00 0.00 N ATOM 1303 CZ ARG A 83 -18.522 2.638 -9.945 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -19.526 3.470 -9.886 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -18.616 1.554 -10.666 1.00 0.00 N ATOM 0 H ARG A 83 -18.646 4.262 -4.794 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.432 2.468 -5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -17.400 5.166 -6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -15.707 5.214 -5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.258 4.536 -7.910 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.822 2.952 -7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -18.225 4.281 -7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.180 4.993 -9.107 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.640 2.234 -9.334 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -19.453 4.318 -9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -20.383 3.272 -10.402 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.832 0.903 -10.713 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -19.474 1.357 -11.182 1.00 0.00 H new ATOM 1319 N PHE A 84 -14.624 3.911 -4.051 1.00 0.00 N ATOM 1320 CA PHE A 84 -13.757 4.144 -2.860 1.00 0.00 C ATOM 1321 C PHE A 84 -12.562 5.006 -3.264 1.00 0.00 C ATOM 1322 O PHE A 84 -11.799 4.651 -4.140 1.00 0.00 O ATOM 1323 CB PHE A 84 -13.254 2.804 -2.321 1.00 0.00 C ATOM 1324 CG PHE A 84 -13.201 2.857 -0.812 1.00 0.00 C ATOM 1325 CD1 PHE A 84 -12.986 4.076 -0.157 1.00 0.00 C ATOM 1326 CD2 PHE A 84 -13.375 1.684 -0.068 1.00 0.00 C ATOM 1327 CE1 PHE A 84 -12.947 4.121 1.241 1.00 0.00 C ATOM 1328 CE2 PHE A 84 -13.334 1.729 1.329 1.00 0.00 C ATOM 1329 CZ PHE A 84 -13.121 2.946 1.984 1.00 0.00 C ATOM 0 H PHE A 84 -14.152 3.984 -4.952 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.333 4.653 -2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -13.914 1.999 -2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.265 2.586 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.850 4.981 -0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -13.541 0.744 -0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.783 5.061 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -13.467 0.823 1.902 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.091 2.980 3.063 1.00 0.00 H new ATOM 1339 N VAL A 85 -12.389 6.135 -2.635 1.00 0.00 N ATOM 1340 CA VAL A 85 -11.240 7.010 -2.994 1.00 0.00 C ATOM 1341 C VAL A 85 -10.519 7.474 -1.726 1.00 0.00 C ATOM 1342 O VAL A 85 -11.133 7.824 -0.738 1.00 0.00 O ATOM 1343 CB VAL A 85 -11.752 8.230 -3.762 1.00 0.00 C ATOM 1344 CG1 VAL A 85 -12.778 8.978 -2.907 1.00 0.00 C ATOM 1345 CG2 VAL A 85 -10.579 9.161 -4.080 1.00 0.00 C ATOM 0 H VAL A 85 -12.991 6.488 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.543 6.448 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.221 7.904 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.143 9.847 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.613 8.316 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.309 9.304 -1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.943 10.031 -4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.111 9.487 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.847 8.630 -4.688 1.00 0.00 H new ATOM 1355 N LEU A 86 -9.216 7.498 -1.762 1.00 0.00 N ATOM 1356 CA LEU A 86 -8.435 7.958 -0.581 1.00 0.00 C ATOM 1357 C LEU A 86 -7.144 8.596 -1.090 1.00 0.00 C ATOM 1358 O LEU A 86 -6.509 8.088 -1.989 1.00 0.00 O ATOM 1359 CB LEU A 86 -8.118 6.755 0.318 1.00 0.00 C ATOM 1360 CG LEU A 86 -7.033 7.110 1.346 1.00 0.00 C ATOM 1361 CD1 LEU A 86 -5.656 7.014 0.688 1.00 0.00 C ATOM 1362 CD2 LEU A 86 -7.244 8.532 1.884 1.00 0.00 C ATOM 0 H LEU A 86 -8.655 7.216 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.002 8.684 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.022 6.433 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.785 5.917 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.096 6.408 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.886 7.266 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.495 5.998 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.604 7.709 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.466 8.765 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.196 9.244 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.220 8.598 2.364 1.00 0.00 H new ATOM 1374 N GLU A 87 -6.763 9.710 -0.533 1.00 0.00 N ATOM 1375 CA GLU A 87 -5.525 10.396 -0.985 1.00 0.00 C ATOM 1376 C GLU A 87 -4.556 10.533 0.186 1.00 0.00 C ATOM 1377 O GLU A 87 -4.522 9.716 1.083 1.00 0.00 O ATOM 1378 CB GLU A 87 -5.887 11.792 -1.477 1.00 0.00 C ATOM 1379 CG GLU A 87 -7.271 11.774 -2.133 1.00 0.00 C ATOM 1380 CD GLU A 87 -8.345 12.024 -1.073 1.00 0.00 C ATOM 1381 OE1 GLU A 87 -8.036 12.670 -0.086 1.00 0.00 O ATOM 1382 OE2 GLU A 87 -9.459 11.565 -1.268 1.00 0.00 O ATOM 0 H GLU A 87 -7.262 10.178 0.223 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.061 9.816 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.880 12.494 -0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.141 12.139 -2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.327 12.538 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.442 10.813 -2.619 1.00 0.00 H new