USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 132 MET CE :methyl -145:sc= -0.437 (180deg=-1.7!) USER MOD Set 1.2: A 134 SER OG : rot 180:sc=-0.000925 USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 149:sc= 0.00625 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -5.719 7.860 -16.387 1.00 0.00 N ATOM 2 CA ASN A 126 -5.606 9.123 -15.608 1.00 0.00 C ATOM 3 C ASN A 126 -6.176 8.956 -14.203 1.00 0.00 C ATOM 4 O ASN A 126 -6.692 9.907 -13.616 1.00 0.00 O ATOM 5 CB ASN A 126 -6.357 10.226 -16.358 1.00 0.00 C ATOM 6 CG ASN A 126 -5.430 11.101 -17.177 1.00 0.00 C ATOM 7 OD1 ASN A 126 -4.632 10.606 -17.974 1.00 0.00 O ATOM 8 ND2 ASN A 126 -5.531 12.411 -16.986 1.00 0.00 N ATOM 0 HA ASN A 126 -4.554 9.389 -15.505 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -7.100 9.774 -17.015 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -6.898 10.845 -15.642 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -4.933 13.050 -17.510 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -6.206 12.778 -16.315 1.00 0.00 H new ATOM 17 N ARG A 127 -6.079 7.743 -13.669 1.00 0.00 N ATOM 18 CA ARG A 127 -6.584 7.452 -12.332 1.00 0.00 C ATOM 19 C ARG A 127 -5.484 6.877 -11.447 1.00 0.00 C ATOM 20 O ARG A 127 -4.817 5.910 -11.815 1.00 0.00 O ATOM 21 CB ARG A 127 -7.755 6.471 -12.411 1.00 0.00 C ATOM 22 CG ARG A 127 -8.391 6.175 -11.062 1.00 0.00 C ATOM 23 CD ARG A 127 -9.701 5.419 -11.217 1.00 0.00 C ATOM 24 NE ARG A 127 -9.543 4.209 -12.019 1.00 0.00 N ATOM 25 CZ ARG A 127 -8.993 3.084 -11.565 1.00 0.00 C ATOM 26 NH1 ARG A 127 -8.550 3.012 -10.315 1.00 0.00 N ATOM 27 NH2 ARG A 127 -8.889 2.029 -12.361 1.00 0.00 N ATOM 0 H ARG A 127 -5.655 6.945 -14.142 1.00 0.00 H new ATOM 0 HA ARG A 127 -6.929 8.387 -11.890 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -8.514 6.877 -13.080 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -7.407 5.537 -12.852 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -7.701 5.589 -10.454 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -8.570 7.109 -10.530 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -10.085 5.153 -10.232 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -10.442 6.069 -11.683 1.00 0.00 H new ATOM 0 HE ARG A 127 -9.873 4.226 -12.984 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -8.630 3.820 -9.698 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -8.130 2.148 -9.972 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -9.230 2.079 -13.321 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -8.468 1.167 -12.013 1.00 0.00 H new ATOM 41 N ARG A 128 -5.298 7.481 -10.276 1.00 0.00 N ATOM 42 CA ARG A 128 -4.278 7.029 -9.337 1.00 0.00 C ATOM 43 C ARG A 128 -4.665 5.693 -8.714 1.00 0.00 C ATOM 44 O ARG A 128 -5.665 5.084 -9.095 1.00 0.00 O ATOM 45 CB ARG A 128 -4.066 8.076 -8.241 1.00 0.00 C ATOM 46 CG ARG A 128 -2.831 8.937 -8.454 1.00 0.00 C ATOM 47 CD ARG A 128 -1.638 8.406 -7.675 1.00 0.00 C ATOM 48 NE ARG A 128 -0.455 8.259 -8.520 1.00 0.00 N ATOM 49 CZ ARG A 128 0.334 9.271 -8.874 1.00 0.00 C ATOM 50 NH1 ARG A 128 0.070 10.504 -8.459 1.00 0.00 N ATOM 51 NH2 ARG A 128 1.390 9.049 -9.644 1.00 0.00 N ATOM 0 H ARG A 128 -5.840 8.284 -9.956 1.00 0.00 H new ATOM 0 HA ARG A 128 -3.346 6.895 -9.887 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.944 8.720 -8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.985 7.571 -7.278 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -2.588 8.969 -9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -3.042 9.960 -8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -1.413 9.083 -6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -1.892 7.441 -7.236 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.220 7.326 -8.859 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -0.741 10.680 -7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 128 0.678 11.276 -8.733 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.597 8.103 -9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 128 1.995 9.824 -9.916 1.00 0.00 H new ATOM 65 N VAL A 129 -3.867 5.242 -7.751 1.00 0.00 N ATOM 66 CA VAL A 129 -4.126 3.976 -7.073 1.00 0.00 C ATOM 67 C VAL A 129 -4.834 4.205 -5.742 1.00 0.00 C ATOM 68 O VAL A 129 -4.755 5.291 -5.166 1.00 0.00 O ATOM 69 CB VAL A 129 -2.824 3.188 -6.818 1.00 0.00 C ATOM 70 CG1 VAL A 129 -3.127 1.710 -6.624 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.835 3.389 -7.957 1.00 0.00 C ATOM 0 H VAL A 129 -3.036 5.734 -7.423 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.767 3.392 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.367 3.570 -5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -2.198 1.169 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.791 1.584 -5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.610 1.317 -7.519 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.926 2.823 -7.753 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.278 3.040 -8.890 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.592 4.448 -8.045 1.00 0.00 H new ATOM 81 N ILE A 130 -5.522 3.178 -5.256 1.00 0.00 N ATOM 82 CA ILE A 130 -6.241 3.273 -3.991 1.00 0.00 C ATOM 83 C ILE A 130 -5.321 2.971 -2.815 1.00 0.00 C ATOM 84 O ILE A 130 -4.862 1.843 -2.641 1.00 0.00 O ATOM 85 CB ILE A 130 -7.447 2.316 -3.955 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.320 2.535 -5.186 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.259 2.527 -2.684 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.994 1.604 -6.334 1.00 0.00 C ATOM 0 H ILE A 130 -5.597 2.272 -5.718 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.604 4.297 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.081 1.289 -3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.366 2.403 -4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.208 3.566 -5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.107 1.842 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.630 2.336 -1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.622 3.554 -2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.654 1.818 -7.174 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.958 1.752 -6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.134 0.571 -6.016 1.00 0.00 H new ATOM 100 N ALA A 131 -5.057 3.995 -2.013 1.00 0.00 N ATOM 101 CA ALA A 131 -4.190 3.851 -0.850 1.00 0.00 C ATOM 102 C ALA A 131 -4.315 5.054 0.080 1.00 0.00 C ATOM 103 O ALA A 131 -4.541 6.178 -0.369 1.00 0.00 O ATOM 104 CB ALA A 131 -2.745 3.673 -1.291 1.00 0.00 C ATOM 0 H ALA A 131 -5.431 4.935 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.504 2.964 -0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.107 3.567 -0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.661 2.780 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.430 4.544 -1.865 1.00 0.00 H new ATOM 110 N MET A 132 -4.165 4.809 1.378 1.00 0.00 N ATOM 111 CA MET A 132 -4.261 5.873 2.370 1.00 0.00 C ATOM 112 C MET A 132 -3.161 6.911 2.162 1.00 0.00 C ATOM 113 O MET A 132 -2.064 6.583 1.710 1.00 0.00 O ATOM 114 CB MET A 132 -4.169 5.289 3.783 1.00 0.00 C ATOM 115 CG MET A 132 -5.517 5.142 4.469 1.00 0.00 C ATOM 116 SD MET A 132 -5.828 6.442 5.679 1.00 0.00 S ATOM 117 CE MET A 132 -4.400 6.260 6.746 1.00 0.00 C ATOM 0 H MET A 132 -3.977 3.885 1.766 1.00 0.00 H new ATOM 0 HA MET A 132 -5.226 6.365 2.249 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.688 4.312 3.733 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.529 5.929 4.391 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.306 5.155 3.717 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.564 4.172 4.964 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.686 6.475 7.776 1.00 0.00 H new ATOM 0 HE2 MET A 132 -4.024 5.239 6.679 1.00 0.00 H new ATOM 0 HE3 MET A 132 -3.621 6.955 6.433 1.00 0.00 H new ATOM 127 N PRO A 133 -3.442 8.185 2.491 1.00 0.00 N ATOM 128 CA PRO A 133 -2.469 9.271 2.337 1.00 0.00 C ATOM 129 C PRO A 133 -1.135 8.953 3.005 1.00 0.00 C ATOM 130 O PRO A 133 -0.091 9.467 2.603 1.00 0.00 O ATOM 131 CB PRO A 133 -3.145 10.456 3.029 1.00 0.00 C ATOM 132 CG PRO A 133 -4.602 10.160 2.952 1.00 0.00 C ATOM 133 CD PRO A 133 -4.725 8.664 3.037 1.00 0.00 C ATOM 0 HA PRO A 133 -2.226 9.454 1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.815 10.551 4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.905 11.395 2.530 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -5.142 10.643 3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.028 10.534 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.874 8.331 4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.571 8.297 2.456 1.00 0.00 H new ATOM 141 N SER A 134 -1.178 8.105 4.026 1.00 0.00 N ATOM 142 CA SER A 134 0.029 7.720 4.751 1.00 0.00 C ATOM 143 C SER A 134 0.680 6.496 4.115 1.00 0.00 C ATOM 144 O SER A 134 1.906 6.373 4.095 1.00 0.00 O ATOM 145 CB SER A 134 -0.302 7.433 6.216 1.00 0.00 C ATOM 146 OG SER A 134 -0.929 6.170 6.360 1.00 0.00 O ATOM 0 H SER A 134 -2.034 7.671 4.371 1.00 0.00 H new ATOM 0 HA SER A 134 0.734 8.550 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.611 7.459 6.810 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.957 8.214 6.604 1.00 0.00 H new ATOM 0 HG SER A 134 -1.129 6.010 7.306 1.00 0.00 H new ATOM 152 N VAL A 135 -0.145 5.593 3.597 1.00 0.00 N ATOM 153 CA VAL A 135 0.352 4.378 2.962 1.00 0.00 C ATOM 154 C VAL A 135 1.123 4.697 1.695 1.00 0.00 C ATOM 155 O VAL A 135 2.214 4.177 1.473 1.00 0.00 O ATOM 156 CB VAL A 135 -0.792 3.412 2.616 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.255 2.166 1.921 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.561 3.051 3.871 1.00 0.00 C ATOM 0 H VAL A 135 -1.161 5.679 3.604 1.00 0.00 H new ATOM 0 HA VAL A 135 1.017 3.900 3.682 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.474 3.906 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.082 1.496 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.253 2.453 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.448 1.656 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.370 2.366 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.890 2.572 4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.977 3.955 4.316 1.00 0.00 H new ATOM 168 N ARG A 136 0.552 5.554 0.865 1.00 0.00 N ATOM 169 CA ARG A 136 1.195 5.937 -0.381 1.00 0.00 C ATOM 170 C ARG A 136 2.597 6.464 -0.100 1.00 0.00 C ATOM 171 O ARG A 136 3.498 6.332 -0.924 1.00 0.00 O ATOM 172 CB ARG A 136 0.371 7.006 -1.101 1.00 0.00 C ATOM 173 CG ARG A 136 -0.730 6.435 -1.982 1.00 0.00 C ATOM 174 CD ARG A 136 -1.893 7.403 -2.124 1.00 0.00 C ATOM 175 NE ARG A 136 -1.532 8.586 -2.905 1.00 0.00 N ATOM 176 CZ ARG A 136 -1.172 9.754 -2.373 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.114 9.908 -1.056 1.00 0.00 N ATOM 178 NH2 ARG A 136 -0.866 10.773 -3.165 1.00 0.00 N ATOM 0 H ARG A 136 -0.352 5.996 1.030 1.00 0.00 H new ATOM 0 HA ARG A 136 1.264 5.059 -1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -0.075 7.669 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.036 7.614 -1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.325 6.205 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.087 5.497 -1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.731 6.895 -2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.230 7.711 -1.134 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.557 8.512 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.346 9.128 -0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.837 10.806 -0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.907 10.662 -4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.590 11.668 -2.761 1.00 0.00 H new ATOM 192 N LYS A 137 2.772 7.042 1.085 1.00 0.00 N ATOM 193 CA LYS A 137 4.061 7.572 1.500 1.00 0.00 C ATOM 194 C LYS A 137 4.979 6.443 1.938 1.00 0.00 C ATOM 195 O LYS A 137 6.165 6.422 1.607 1.00 0.00 O ATOM 196 CB LYS A 137 3.884 8.578 2.639 1.00 0.00 C ATOM 197 CG LYS A 137 5.190 9.184 3.126 1.00 0.00 C ATOM 198 CD LYS A 137 5.387 8.970 4.618 1.00 0.00 C ATOM 199 CE LYS A 137 6.171 10.110 5.247 1.00 0.00 C ATOM 200 NZ LYS A 137 6.187 10.019 6.733 1.00 0.00 N ATOM 0 H LYS A 137 2.031 7.154 1.776 1.00 0.00 H new ATOM 0 HA LYS A 137 4.513 8.083 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.224 9.379 2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.389 8.084 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 137 6.023 8.739 2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.200 10.252 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.416 8.883 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.913 8.030 4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.194 10.098 4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.733 11.062 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 6.731 10.814 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 5.212 10.056 7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.628 9.123 7.021 1.00 0.00 H new ATOM 214 N TYR A 138 4.417 5.507 2.696 1.00 0.00 N ATOM 215 CA TYR A 138 5.177 4.374 3.195 1.00 0.00 C ATOM 216 C TYR A 138 5.656 3.494 2.048 1.00 0.00 C ATOM 217 O TYR A 138 6.833 3.146 1.970 1.00 0.00 O ATOM 218 CB TYR A 138 4.309 3.558 4.144 1.00 0.00 C ATOM 219 CG TYR A 138 4.993 2.313 4.649 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.168 2.389 5.383 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.468 1.059 4.376 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.801 1.247 5.831 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.092 -0.084 4.820 1.00 0.00 C ATOM 224 CZ TYR A 138 6.259 0.011 5.548 1.00 0.00 C ATOM 225 OH TYR A 138 6.885 -1.130 5.993 1.00 0.00 O ATOM 0 H TYR A 138 3.436 5.514 2.977 1.00 0.00 H new ATOM 0 HA TYR A 138 6.051 4.749 3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.026 4.180 4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.388 3.277 3.634 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.594 3.356 5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.554 0.978 3.806 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.716 1.321 6.400 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.669 -1.053 4.599 1.00 0.00 H new ATOM 0 HH TYR A 138 6.215 -1.824 6.168 1.00 0.00 H new ATOM 235 N ALA A 139 4.745 3.167 1.142 1.00 0.00 N ATOM 236 CA ALA A 139 5.088 2.363 -0.018 1.00 0.00 C ATOM 237 C ALA A 139 6.056 3.145 -0.885 1.00 0.00 C ATOM 238 O ALA A 139 7.083 2.634 -1.314 1.00 0.00 O ATOM 239 CB ALA A 139 3.841 1.997 -0.809 1.00 0.00 C ATOM 0 H ALA A 139 3.765 3.446 1.189 1.00 0.00 H new ATOM 0 HA ALA A 139 5.556 1.435 0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.122 1.395 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.162 1.427 -0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.344 2.907 -1.147 1.00 0.00 H new ATOM 245 N ARG A 140 5.726 4.408 -1.109 1.00 0.00 N ATOM 246 CA ARG A 140 6.568 5.287 -1.902 1.00 0.00 C ATOM 247 C ARG A 140 7.988 5.312 -1.342 1.00 0.00 C ATOM 248 O ARG A 140 8.958 5.467 -2.084 1.00 0.00 O ATOM 249 CB ARG A 140 5.979 6.699 -1.908 1.00 0.00 C ATOM 250 CG ARG A 140 6.813 7.707 -2.681 1.00 0.00 C ATOM 251 CD ARG A 140 6.027 8.299 -3.839 1.00 0.00 C ATOM 252 NE ARG A 140 5.571 9.658 -3.554 1.00 0.00 N ATOM 253 CZ ARG A 140 4.539 10.238 -4.162 1.00 0.00 C ATOM 254 NH1 ARG A 140 3.857 9.587 -5.098 1.00 0.00 N ATOM 255 NH2 ARG A 140 4.188 11.474 -3.836 1.00 0.00 N ATOM 0 H ARG A 140 4.878 4.847 -0.751 1.00 0.00 H new ATOM 0 HA ARG A 140 6.607 4.911 -2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.978 6.663 -2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.872 7.043 -0.879 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.136 8.505 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.714 7.224 -3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 140 6.650 8.306 -4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.166 7.666 -4.054 1.00 0.00 H new ATOM 0 HE ARG A 140 6.074 10.194 -2.847 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.123 8.636 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 140 3.067 10.038 -5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 140 4.709 11.980 -3.120 1.00 0.00 H new ATOM 0 HH22 ARG A 140 3.397 11.919 -4.302 1.00 0.00 H new ATOM 269 N GLU A 141 8.099 5.155 -0.025 1.00 0.00 N ATOM 270 CA GLU A 141 9.392 5.153 0.642 1.00 0.00 C ATOM 271 C GLU A 141 10.028 3.772 0.598 1.00 0.00 C ATOM 272 O GLU A 141 11.243 3.638 0.453 1.00 0.00 O ATOM 273 CB GLU A 141 9.232 5.605 2.092 1.00 0.00 C ATOM 274 CG GLU A 141 9.074 7.107 2.250 1.00 0.00 C ATOM 275 CD GLU A 141 10.400 7.816 2.445 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.224 7.325 3.246 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.615 8.862 1.798 1.00 0.00 O ATOM 0 H GLU A 141 7.304 5.027 0.601 1.00 0.00 H new ATOM 0 HA GLU A 141 10.047 5.848 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.362 5.110 2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.101 5.278 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.577 7.511 1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.427 7.313 3.103 1.00 0.00 H new ATOM 284 N LYS A 142 9.197 2.749 0.737 1.00 0.00 N ATOM 285 CA LYS A 142 9.665 1.372 0.730 1.00 0.00 C ATOM 286 C LYS A 142 9.801 0.825 -0.691 1.00 0.00 C ATOM 287 O LYS A 142 9.764 -0.386 -0.896 1.00 0.00 O ATOM 288 CB LYS A 142 8.686 0.507 1.524 1.00 0.00 C ATOM 289 CG LYS A 142 8.626 0.827 3.014 1.00 0.00 C ATOM 290 CD LYS A 142 9.993 1.174 3.585 1.00 0.00 C ATOM 291 CE LYS A 142 9.897 1.578 5.046 1.00 0.00 C ATOM 292 NZ LYS A 142 11.177 2.150 5.550 1.00 0.00 N ATOM 0 H LYS A 142 8.189 2.849 0.857 1.00 0.00 H new ATOM 0 HA LYS A 142 10.653 1.346 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.689 0.625 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.963 -0.540 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.944 1.662 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.217 -0.029 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.659 0.317 3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.434 1.988 3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.099 2.310 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.627 0.709 5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.070 2.413 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.934 1.443 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.422 2.994 4.995 1.00 0.00 H new ATOM 306 N GLY A 143 9.952 1.712 -1.673 1.00 0.00 N ATOM 307 CA GLY A 143 10.078 1.264 -3.053 1.00 0.00 C ATOM 308 C GLY A 143 8.875 0.453 -3.509 1.00 0.00 C ATOM 309 O GLY A 143 8.932 -0.250 -4.516 1.00 0.00 O ATOM 0 H GLY A 143 9.989 2.723 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.198 2.130 -3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 143 10.980 0.661 -3.156 1.00 0.00 H new ATOM 313 N VAL A 144 7.786 0.563 -2.755 1.00 0.00 N ATOM 314 CA VAL A 144 6.548 -0.142 -3.052 1.00 0.00 C ATOM 315 C VAL A 144 5.546 0.790 -3.717 1.00 0.00 C ATOM 316 O VAL A 144 5.371 1.933 -3.296 1.00 0.00 O ATOM 317 CB VAL A 144 5.910 -0.689 -1.762 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.617 -1.429 -2.069 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.883 -1.586 -1.017 1.00 0.00 C ATOM 0 H VAL A 144 7.739 1.146 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 144 6.795 -0.965 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 144 5.670 0.157 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.185 -1.806 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.913 -0.748 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.826 -2.264 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.410 -1.961 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.164 -2.426 -1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.774 -1.016 -0.754 1.00 0.00 H new ATOM 329 N ASP A 145 4.869 0.286 -4.736 1.00 0.00 N ATOM 330 CA ASP A 145 3.863 1.057 -5.434 1.00 0.00 C ATOM 331 C ASP A 145 2.512 0.393 -5.241 1.00 0.00 C ATOM 332 O ASP A 145 2.362 -0.802 -5.479 1.00 0.00 O ATOM 333 CB ASP A 145 4.199 1.174 -6.922 1.00 0.00 C ATOM 334 CG ASP A 145 3.331 2.193 -7.633 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.091 2.109 -7.504 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.890 3.075 -8.318 1.00 0.00 O ATOM 0 H ASP A 145 5.002 -0.659 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 145 3.835 2.067 -5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.247 1.452 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.075 0.201 -7.397 1.00 0.00 H new ATOM 341 N ILE A 146 1.537 1.163 -4.787 1.00 0.00 N ATOM 342 CA ILE A 146 0.199 0.638 -4.543 1.00 0.00 C ATOM 343 C ILE A 146 -0.293 -0.212 -5.717 1.00 0.00 C ATOM 344 O ILE A 146 -1.115 -1.111 -5.540 1.00 0.00 O ATOM 345 CB ILE A 146 -0.808 1.775 -4.281 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.271 2.739 -3.220 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.150 1.210 -3.845 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.007 2.079 -1.882 1.00 0.00 C ATOM 0 H ILE A 146 1.645 2.156 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 146 0.265 0.008 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.947 2.326 -5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.653 3.188 -3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.986 3.550 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.848 2.028 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.544 0.563 -4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.022 0.634 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.372 2.821 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.934 1.654 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.731 1.287 -2.006 1.00 0.00 H new ATOM 360 N ARG A 147 0.223 0.068 -6.912 1.00 0.00 N ATOM 361 CA ARG A 147 -0.169 -0.680 -8.105 1.00 0.00 C ATOM 362 C ARG A 147 0.224 -2.144 -7.970 1.00 0.00 C ATOM 363 O ARG A 147 -0.503 -3.042 -8.398 1.00 0.00 O ATOM 364 CB ARG A 147 0.483 -0.076 -9.350 1.00 0.00 C ATOM 365 CG ARG A 147 -0.369 0.982 -10.030 1.00 0.00 C ATOM 366 CD ARG A 147 0.490 2.056 -10.679 1.00 0.00 C ATOM 367 NE ARG A 147 -0.146 3.370 -10.629 1.00 0.00 N ATOM 368 CZ ARG A 147 0.509 4.517 -10.799 1.00 0.00 C ATOM 369 NH1 ARG A 147 1.816 4.515 -11.031 1.00 0.00 N ATOM 370 NH2 ARG A 147 -0.146 5.668 -10.738 1.00 0.00 N ATOM 0 H ARG A 147 0.910 0.803 -7.080 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.252 -0.617 -8.208 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.440 0.364 -9.071 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.694 -0.873 -10.062 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.999 0.513 -10.785 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.035 1.440 -9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.456 2.101 -10.175 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.684 1.787 -11.717 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.150 3.411 -10.454 1.00 0.00 H new ATOM 0 HH11 ARG A 147 2.324 3.632 -11.080 1.00 0.00 H new ATOM 0 HH12 ARG A 147 2.312 5.397 -11.160 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.151 5.674 -10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 147 0.355 6.547 -10.868 1.00 0.00 H new ATOM 384 N LEU A 148 1.378 -2.369 -7.364 1.00 0.00 N ATOM 385 CA LEU A 148 1.895 -3.710 -7.147 1.00 0.00 C ATOM 386 C LEU A 148 1.348 -4.300 -5.849 1.00 0.00 C ATOM 387 O LEU A 148 1.581 -5.470 -5.546 1.00 0.00 O ATOM 388 CB LEU A 148 3.424 -3.676 -7.092 1.00 0.00 C ATOM 389 CG LEU A 148 4.074 -2.480 -7.792 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.579 -2.498 -7.609 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.716 -2.467 -9.269 1.00 0.00 C ATOM 0 H LEU A 148 1.982 -1.628 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 148 1.574 -4.339 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.734 -3.678 -6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.808 -4.592 -7.540 1.00 0.00 H new ATOM 0 HG LEU A 148 3.688 -1.569 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.017 -1.638 -8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.817 -2.453 -6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.986 -3.416 -8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.187 -1.610 -9.750 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.070 -3.386 -9.737 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.634 -2.396 -9.381 1.00 0.00 H new ATOM 403 N VAL A 149 0.631 -3.483 -5.078 1.00 0.00 N ATOM 404 CA VAL A 149 0.076 -3.933 -3.809 1.00 0.00 C ATOM 405 C VAL A 149 -1.448 -3.944 -3.837 1.00 0.00 C ATOM 406 O VAL A 149 -2.083 -2.937 -4.152 1.00 0.00 O ATOM 407 CB VAL A 149 0.551 -3.038 -2.646 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.377 -3.750 -1.314 1.00 0.00 C ATOM 409 CG2 VAL A 149 2.002 -2.614 -2.847 1.00 0.00 C ATOM 0 H VAL A 149 0.423 -2.512 -5.311 1.00 0.00 H new ATOM 0 HA VAL A 149 0.434 -4.950 -3.652 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.066 -2.139 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.718 -3.101 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.675 -3.991 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.963 -4.669 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.315 -1.984 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.637 -3.499 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.092 -2.056 -3.779 1.00 0.00 H new ATOM 419 N GLN A 150 -2.028 -5.091 -3.500 1.00 0.00 N ATOM 420 CA GLN A 150 -3.478 -5.239 -3.479 1.00 0.00 C ATOM 421 C GLN A 150 -4.027 -4.926 -2.091 1.00 0.00 C ATOM 422 O GLN A 150 -3.907 -5.732 -1.169 1.00 0.00 O ATOM 423 CB GLN A 150 -3.873 -6.659 -3.891 1.00 0.00 C ATOM 424 CG GLN A 150 -4.965 -6.702 -4.946 1.00 0.00 C ATOM 425 CD GLN A 150 -5.089 -8.064 -5.603 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.951 -8.865 -5.241 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.223 -8.333 -6.573 1.00 0.00 N ATOM 0 H GLN A 150 -1.515 -5.933 -3.237 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.906 -4.533 -4.191 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -2.992 -7.177 -4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.209 -7.205 -3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.918 -6.435 -4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.757 -5.952 -5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -3.525 -7.639 -6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -4.256 -9.234 -7.051 1.00 0.00 H new ATOM 436 N GLY A 151 -4.623 -3.747 -1.947 1.00 0.00 N ATOM 437 CA GLY A 151 -5.172 -3.348 -0.667 1.00 0.00 C ATOM 438 C GLY A 151 -6.488 -4.030 -0.354 1.00 0.00 C ATOM 439 O GLY A 151 -7.304 -4.260 -1.246 1.00 0.00 O ATOM 0 H GLY A 151 -4.735 -3.062 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.453 -3.578 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.317 -2.268 -0.660 1.00 0.00 H new ATOM 443 N THR A 152 -6.694 -4.351 0.919 1.00 0.00 N ATOM 444 CA THR A 152 -7.921 -5.007 1.355 1.00 0.00 C ATOM 445 C THR A 152 -8.682 -4.132 2.349 1.00 0.00 C ATOM 446 O THR A 152 -9.436 -4.635 3.181 1.00 0.00 O ATOM 447 CB THR A 152 -7.599 -6.362 1.989 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.264 -6.390 2.464 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.771 -7.525 1.037 1.00 0.00 C ATOM 0 H THR A 152 -6.026 -4.167 1.668 1.00 0.00 H new ATOM 0 HA THR A 152 -8.553 -5.164 0.481 1.00 0.00 H new ATOM 0 HB THR A 152 -8.312 -6.474 2.806 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.078 -7.264 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.526 -8.455 1.551 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.804 -7.562 0.691 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.107 -7.397 0.182 1.00 0.00 H new ATOM 457 N GLY A 153 -8.475 -2.821 2.261 1.00 0.00 N ATOM 458 CA GLY A 153 -9.146 -1.901 3.161 1.00 0.00 C ATOM 459 C GLY A 153 -10.319 -1.194 2.509 1.00 0.00 C ATOM 460 O GLY A 153 -10.251 -0.812 1.343 1.00 0.00 O ATOM 0 H GLY A 153 -7.854 -2.380 1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.497 -2.447 4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.431 -1.158 3.515 1.00 0.00 H new ATOM 464 N LYS A 154 -11.396 -1.019 3.268 1.00 0.00 N ATOM 465 CA LYS A 154 -12.595 -0.352 2.768 1.00 0.00 C ATOM 466 C LYS A 154 -13.042 -0.939 1.425 1.00 0.00 C ATOM 467 O LYS A 154 -13.813 -1.898 1.387 1.00 0.00 O ATOM 468 CB LYS A 154 -12.351 1.155 2.639 1.00 0.00 C ATOM 469 CG LYS A 154 -12.835 1.956 3.838 1.00 0.00 C ATOM 470 CD LYS A 154 -14.080 2.763 3.505 1.00 0.00 C ATOM 471 CE LYS A 154 -13.737 4.027 2.733 1.00 0.00 C ATOM 472 NZ LYS A 154 -13.838 5.243 3.584 1.00 0.00 N ATOM 0 H LYS A 154 -11.464 -1.331 4.237 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.396 -0.519 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.284 1.331 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.852 1.520 1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.049 1.280 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.044 2.627 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.764 2.151 2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.600 3.028 4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -12.726 3.946 2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.408 4.124 1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -13.596 6.083 3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -14.809 5.335 3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -13.179 5.162 4.384 1.00 0.00 H new ATOM 486 N ASN A 155 -12.558 -0.361 0.325 1.00 0.00 N ATOM 487 CA ASN A 155 -12.916 -0.835 -1.007 1.00 0.00 C ATOM 488 C ASN A 155 -11.702 -1.416 -1.729 1.00 0.00 C ATOM 489 O ASN A 155 -11.646 -1.425 -2.958 1.00 0.00 O ATOM 490 CB ASN A 155 -13.514 0.305 -1.833 1.00 0.00 C ATOM 491 CG ASN A 155 -15.028 0.326 -1.779 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.701 -0.043 -2.742 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.575 0.759 -0.649 1.00 0.00 N ATOM 0 H ASN A 155 -11.919 0.434 0.333 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.659 -1.624 -0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.127 1.256 -1.468 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.192 0.207 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.590 0.795 -0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.980 1.055 0.125 1.00 0.00 H new ATOM 500 N GLY A 156 -10.733 -1.900 -0.958 1.00 0.00 N ATOM 501 CA GLY A 156 -9.537 -2.474 -1.546 1.00 0.00 C ATOM 502 C GLY A 156 -8.317 -1.583 -1.388 1.00 0.00 C ATOM 503 O GLY A 156 -7.256 -1.872 -1.942 1.00 0.00 O ATOM 0 H GLY A 156 -10.755 -1.905 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.338 -3.440 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.712 -2.659 -2.606 1.00 0.00 H new ATOM 507 N ARG A 157 -8.465 -0.498 -0.632 1.00 0.00 N ATOM 508 CA ARG A 157 -7.366 0.433 -0.405 1.00 0.00 C ATOM 509 C ARG A 157 -6.200 -0.264 0.287 1.00 0.00 C ATOM 510 O ARG A 157 -6.398 -1.086 1.181 1.00 0.00 O ATOM 511 CB ARG A 157 -7.844 1.616 0.439 1.00 0.00 C ATOM 512 CG ARG A 157 -6.824 2.736 0.556 1.00 0.00 C ATOM 513 CD ARG A 157 -7.430 3.984 1.181 1.00 0.00 C ATOM 514 NE ARG A 157 -7.479 5.101 0.239 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.499 5.340 -0.584 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.566 4.548 -0.587 1.00 0.00 N ATOM 517 NH2 ARG A 157 -8.455 6.378 -1.408 1.00 0.00 N ATOM 0 H ARG A 157 -9.336 -0.243 -0.167 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.023 0.800 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.760 2.015 0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.095 1.260 1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.981 2.399 1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.433 2.977 -0.432 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.438 3.761 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.845 4.272 2.055 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.682 5.737 0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.609 3.748 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.342 4.740 -1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.641 6.992 -1.411 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.235 6.562 -2.039 1.00 0.00 H new ATOM 531 N VAL A 158 -4.984 0.063 -0.138 1.00 0.00 N ATOM 532 CA VAL A 158 -3.788 -0.539 0.437 1.00 0.00 C ATOM 533 C VAL A 158 -3.421 0.119 1.763 1.00 0.00 C ATOM 534 O VAL A 158 -3.367 1.343 1.872 1.00 0.00 O ATOM 535 CB VAL A 158 -2.586 -0.450 -0.533 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.270 -0.714 0.188 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.762 -1.429 -1.681 1.00 0.00 C ATOM 0 H VAL A 158 -4.802 0.741 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.017 -1.590 0.614 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.552 0.564 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.446 -0.644 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.133 0.025 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.288 -1.712 0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.909 -1.356 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.827 -2.443 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.676 -1.191 -2.225 1.00 0.00 H new ATOM 547 N LEU A 159 -3.160 -0.714 2.761 1.00 0.00 N ATOM 548 CA LEU A 159 -2.786 -0.238 4.084 1.00 0.00 C ATOM 549 C LEU A 159 -1.292 -0.425 4.310 1.00 0.00 C ATOM 550 O LEU A 159 -0.629 -1.132 3.552 1.00 0.00 O ATOM 551 CB LEU A 159 -3.572 -1.000 5.153 1.00 0.00 C ATOM 552 CG LEU A 159 -5.080 -0.725 5.184 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.678 -1.175 6.508 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.371 0.751 4.943 1.00 0.00 C ATOM 0 H LEU A 159 -3.201 -1.730 2.677 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.022 0.824 4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.418 -2.068 5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.155 -0.754 6.130 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.544 -1.298 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.749 -0.972 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.511 -2.244 6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.203 -0.632 7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.448 0.919 4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.891 1.348 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -4.983 1.044 3.968 1.00 0.00 H new ATOM 566 N LYS A 160 -0.756 0.195 5.356 1.00 0.00 N ATOM 567 CA LYS A 160 0.663 0.058 5.654 1.00 0.00 C ATOM 568 C LYS A 160 1.004 -1.414 5.840 1.00 0.00 C ATOM 569 O LYS A 160 2.074 -1.873 5.441 1.00 0.00 O ATOM 570 CB LYS A 160 1.042 0.849 6.907 1.00 0.00 C ATOM 571 CG LYS A 160 2.505 0.703 7.296 1.00 0.00 C ATOM 572 CD LYS A 160 3.008 1.929 8.044 1.00 0.00 C ATOM 573 CE LYS A 160 3.286 3.085 7.097 1.00 0.00 C ATOM 574 NZ LYS A 160 2.833 4.386 7.661 1.00 0.00 N ATOM 0 H LYS A 160 -1.275 0.789 6.003 1.00 0.00 H new ATOM 0 HA LYS A 160 1.233 0.462 4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.821 1.904 6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.418 0.519 7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.630 -0.182 7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 160 3.107 0.549 6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.268 2.234 8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 160 3.918 1.676 8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.354 3.133 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 160 2.782 2.906 6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 3.041 5.149 6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 1.809 4.350 7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.333 4.570 8.554 1.00 0.00 H new ATOM 588 N GLU A 161 0.066 -2.155 6.425 1.00 0.00 N ATOM 589 CA GLU A 161 0.248 -3.582 6.634 1.00 0.00 C ATOM 590 C GLU A 161 0.386 -4.272 5.285 1.00 0.00 C ATOM 591 O GLU A 161 1.153 -5.223 5.132 1.00 0.00 O ATOM 592 CB GLU A 161 -0.932 -4.167 7.410 1.00 0.00 C ATOM 593 CG GLU A 161 -1.281 -3.387 8.667 1.00 0.00 C ATOM 594 CD GLU A 161 -0.743 -4.039 9.926 1.00 0.00 C ATOM 595 OE1 GLU A 161 -0.874 -5.273 10.058 1.00 0.00 O ATOM 596 OE2 GLU A 161 -0.190 -3.314 10.780 1.00 0.00 O ATOM 0 H GLU A 161 -0.825 -1.788 6.761 1.00 0.00 H new ATOM 0 HA GLU A 161 1.152 -3.745 7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.805 -4.198 6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.701 -5.197 7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.881 -2.376 8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.364 -3.295 8.744 1.00 0.00 H new ATOM 603 N ASP A 162 -0.351 -3.763 4.301 1.00 0.00 N ATOM 604 CA ASP A 162 -0.302 -4.307 2.950 1.00 0.00 C ATOM 605 C ASP A 162 1.071 -4.054 2.343 1.00 0.00 C ATOM 606 O ASP A 162 1.700 -4.958 1.794 1.00 0.00 O ATOM 607 CB ASP A 162 -1.386 -3.670 2.081 1.00 0.00 C ATOM 608 CG ASP A 162 -2.712 -4.397 2.177 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.725 -5.636 2.019 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.739 -3.724 2.411 1.00 0.00 O ATOM 0 H ASP A 162 -0.988 -2.975 4.415 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.481 -5.381 2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.523 -2.631 2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.055 -3.661 1.042 1.00 0.00 H new ATOM 615 N ILE A 163 1.535 -2.814 2.466 1.00 0.00 N ATOM 616 CA ILE A 163 2.843 -2.423 1.951 1.00 0.00 C ATOM 617 C ILE A 163 3.925 -3.358 2.475 1.00 0.00 C ATOM 618 O ILE A 163 4.694 -3.933 1.706 1.00 0.00 O ATOM 619 CB ILE A 163 3.209 -0.982 2.364 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.097 -0.013 1.977 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.535 -0.561 1.731 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.804 -0.013 0.501 1.00 0.00 C ATOM 0 H ILE A 163 1.021 -2.059 2.920 1.00 0.00 H new ATOM 0 HA ILE A 163 2.785 -2.482 0.864 1.00 0.00 H new ATOM 0 HB ILE A 163 3.324 -0.955 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.190 -0.274 2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.376 0.994 2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.776 0.458 2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.326 -1.234 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.450 -0.606 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 163 1.004 0.696 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.700 0.276 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.495 -1.011 0.191 1.00 0.00 H new ATOM 634 N ASP A 164 3.972 -3.504 3.795 1.00 0.00 N ATOM 635 CA ASP A 164 4.954 -4.368 4.433 1.00 0.00 C ATOM 636 C ASP A 164 4.823 -5.800 3.922 1.00 0.00 C ATOM 637 O ASP A 164 5.822 -6.483 3.693 1.00 0.00 O ATOM 638 CB ASP A 164 4.783 -4.338 5.952 1.00 0.00 C ATOM 639 CG ASP A 164 6.033 -4.790 6.683 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.913 -3.941 6.935 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.131 -5.994 7.001 1.00 0.00 O ATOM 0 H ASP A 164 3.340 -3.034 4.443 1.00 0.00 H new ATOM 0 HA ASP A 164 5.948 -3.998 4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.527 -3.326 6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.948 -4.980 6.234 1.00 0.00 H new ATOM 646 N ALA A 165 3.582 -6.247 3.740 1.00 0.00 N ATOM 647 CA ALA A 165 3.316 -7.595 3.251 1.00 0.00 C ATOM 648 C ALA A 165 3.824 -7.766 1.824 1.00 0.00 C ATOM 649 O ALA A 165 4.339 -8.823 1.459 1.00 0.00 O ATOM 650 CB ALA A 165 1.827 -7.899 3.324 1.00 0.00 C ATOM 0 H ALA A 165 2.745 -5.694 3.924 1.00 0.00 H new ATOM 0 HA ALA A 165 3.849 -8.300 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.643 -8.908 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.490 -7.823 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.279 -7.184 2.711 1.00 0.00 H new ATOM 656 N TRP A 166 3.684 -6.714 1.023 1.00 0.00 N ATOM 657 CA TRP A 166 4.135 -6.732 -0.358 1.00 0.00 C ATOM 658 C TRP A 166 5.621 -7.049 -0.423 1.00 0.00 C ATOM 659 O TRP A 166 6.042 -8.011 -1.065 1.00 0.00 O ATOM 660 CB TRP A 166 3.865 -5.373 -0.996 1.00 0.00 C ATOM 661 CG TRP A 166 4.146 -5.329 -2.462 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.358 -5.802 -3.468 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.302 -4.771 -3.086 1.00 0.00 C ATOM 664 NE1 TRP A 166 3.960 -5.572 -4.682 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.154 -4.941 -4.472 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.446 -4.145 -2.603 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.111 -4.508 -5.382 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.398 -3.711 -3.507 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.225 -3.895 -4.885 1.00 0.00 C ATOM 0 H TRP A 166 3.258 -5.834 1.313 1.00 0.00 H new ATOM 0 HA TRP A 166 3.591 -7.504 -0.902 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.822 -5.103 -0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.474 -4.620 -0.496 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.402 -6.286 -3.332 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.578 -5.830 -5.592 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.588 -4.001 -1.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.978 -4.651 -6.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.290 -3.222 -3.145 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.987 -3.546 -5.566 1.00 0.00 H new ATOM 680 N LEU A 167 6.405 -6.227 0.260 1.00 0.00 N ATOM 681 CA LEU A 167 7.852 -6.398 0.306 1.00 0.00 C ATOM 682 C LEU A 167 8.223 -7.761 0.884 1.00 0.00 C ATOM 683 O LEU A 167 9.247 -8.341 0.523 1.00 0.00 O ATOM 684 CB LEU A 167 8.483 -5.284 1.142 1.00 0.00 C ATOM 685 CG LEU A 167 8.192 -3.870 0.644 1.00 0.00 C ATOM 686 CD1 LEU A 167 8.273 -2.869 1.784 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.153 -3.492 -0.471 1.00 0.00 C ATOM 0 H LEU A 167 6.061 -5.429 0.794 1.00 0.00 H new ATOM 0 HA LEU A 167 8.236 -6.344 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.128 -5.373 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.563 -5.432 1.164 1.00 0.00 H new ATOM 0 HG LEU A 167 7.177 -3.849 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 167 8.062 -1.869 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.542 -3.129 2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 167 9.273 -2.890 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.932 -2.481 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.177 -3.533 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.041 -4.190 -1.301 1.00 0.00 H new ATOM 699 N ALA A 168 7.384 -8.265 1.783 1.00 0.00 N ATOM 700 CA ALA A 168 7.625 -9.559 2.411 1.00 0.00 C ATOM 701 C ALA A 168 7.439 -10.700 1.414 1.00 0.00 C ATOM 702 O ALA A 168 8.009 -11.778 1.579 1.00 0.00 O ATOM 703 CB ALA A 168 6.701 -9.745 3.605 1.00 0.00 C ATOM 0 H ALA A 168 6.532 -7.798 2.093 1.00 0.00 H new ATOM 0 HA ALA A 168 8.659 -9.579 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 168 6.891 -10.715 4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 168 6.885 -8.956 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 168 5.664 -9.698 3.273 1.00 0.00 H new ATOM 709 N GLY A 169 6.638 -10.456 0.381 1.00 0.00 N ATOM 710 CA GLY A 169 6.393 -11.474 -0.624 1.00 0.00 C ATOM 711 C GLY A 169 6.814 -11.034 -2.012 1.00 0.00 C ATOM 712 O GLY A 169 6.224 -11.452 -3.008 1.00 0.00 O ATOM 0 H GLY A 169 6.155 -9.572 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 169 6.932 -12.382 -0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 169 5.332 -11.724 -0.632 1.00 0.00 H new ATOM 716 N GLY A 170 7.836 -10.188 -2.079 1.00 0.00 N ATOM 717 CA GLY A 170 8.317 -9.705 -3.360 1.00 0.00 C ATOM 718 C GLY A 170 8.781 -8.264 -3.301 1.00 0.00 C ATOM 719 O GLY A 170 9.827 -8.001 -2.672 1.00 0.00 O ATOM 720 OXT GLY A 170 8.098 -7.395 -3.885 1.00 0.00 O ATOM 0 H GLY A 170 8.340 -9.828 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 170 9.141 -10.335 -3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 170 7.523 -9.797 -4.101 1.00 0.00 H new TER 724 GLY A 170