USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 525 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 84 GLN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Set 1.2: A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.2 K(o=1.2,f=-0.16) USER MOD Single : A 97 HIS :FLIP no HD1:sc= -0.644 F(o=-1.2,f=-0.64) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.307 USER MOD Single : A 107 MET CE :methyl 174:sc= -0.379 (180deg=-0.632) USER MOD Single : A 112 GLN : amide:sc= 1.14 K(o=1.1,f=-0.72) USER MOD Single : A 116 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.3) USER MOD Single : A 122 MET CE :methyl 155:sc= -0.0329 (180deg=-0.503) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 ASN : amide:sc= -0.389 K(o=-0.39,f=-5.3!) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 76 -5.317 -18.283 -4.299 1.00 10.00 N ATOM 2 CA ALA A 76 -5.045 -17.018 -3.605 1.00 10.00 C ATOM 3 C ALA A 76 -3.655 -16.546 -4.013 1.00 10.00 C ATOM 4 O ALA A 76 -2.859 -17.409 -4.381 1.00 10.00 O ATOM 5 CB ALA A 76 -5.152 -17.182 -2.086 1.00 10.00 C ATOM 0 HA ALA A 76 -5.788 -16.273 -3.889 1.00 10.00 H new ATOM 0 HB1 ALA A 76 -4.945 -16.228 -1.602 1.00 10.00 H new ATOM 0 HB2 ALA A 76 -6.158 -17.511 -1.825 1.00 10.00 H new ATOM 0 HB3 ALA A 76 -4.429 -17.925 -1.748 1.00 10.00 H new ATOM 13 N ARG A 77 -3.354 -15.244 -3.973 1.00 10.00 N ATOM 14 CA ARG A 77 -2.010 -14.746 -4.268 1.00 10.00 C ATOM 15 C ARG A 77 -1.679 -13.479 -3.492 1.00 10.00 C ATOM 16 O ARG A 77 -2.335 -12.444 -3.620 1.00 10.00 O ATOM 17 CB ARG A 77 -1.792 -14.575 -5.784 1.00 10.00 C ATOM 18 CG ARG A 77 -2.657 -13.483 -6.436 1.00 10.00 C ATOM 19 CD ARG A 77 -1.927 -12.138 -6.628 1.00 10.00 C ATOM 20 NE ARG A 77 -0.945 -12.183 -7.724 1.00 10.00 N ATOM 21 CZ ARG A 77 -1.193 -11.906 -9.017 1.00 10.00 C ATOM 22 NH1 ARG A 77 -2.431 -11.657 -9.450 1.00 10.00 N ATOM 23 NH2 ARG A 77 -0.202 -11.868 -9.908 1.00 10.00 N ATOM 0 H ARG A 77 -4.027 -14.515 -3.738 1.00 10.00 H new ATOM 0 HA ARG A 77 -1.306 -15.505 -3.925 1.00 10.00 H new ATOM 0 HB2 ARG A 77 -0.742 -14.343 -5.963 1.00 10.00 H new ATOM 0 HB3 ARG A 77 -1.997 -15.525 -6.277 1.00 10.00 H new ATOM 0 HG2 ARG A 77 -3.003 -13.839 -7.406 1.00 10.00 H new ATOM 0 HG3 ARG A 77 -3.543 -13.320 -5.822 1.00 10.00 H new ATOM 0 HD2 ARG A 77 -2.659 -11.356 -6.832 1.00 10.00 H new ATOM 0 HD3 ARG A 77 -1.421 -11.867 -5.701 1.00 10.00 H new ATOM 0 HE ARG A 77 0.010 -12.448 -7.481 1.00 10.00 H new ATOM 0 HH11 ARG A 77 -3.213 -11.674 -8.796 1.00 10.00 H new ATOM 0 HH12 ARG A 77 -2.595 -11.449 -10.435 1.00 10.00 H new ATOM 0 HH21 ARG A 77 0.757 -12.050 -9.612 1.00 10.00 H new ATOM 0 HH22 ARG A 77 -0.403 -11.657 -10.885 1.00 10.00 H new ATOM 37 N ALA A 78 -0.591 -13.566 -2.737 1.00 10.00 N ATOM 38 CA ALA A 78 0.049 -12.413 -2.162 1.00 10.00 C ATOM 39 C ALA A 78 0.720 -11.604 -3.258 1.00 10.00 C ATOM 40 O ALA A 78 0.722 -11.976 -4.433 1.00 10.00 O ATOM 41 CB ALA A 78 1.033 -12.860 -1.096 1.00 10.00 C ATOM 0 H ALA A 78 -0.133 -14.449 -2.511 1.00 10.00 H new ATOM 0 HA ALA A 78 -0.689 -11.769 -1.683 1.00 10.00 H new ATOM 0 HB1 ALA A 78 1.518 -11.987 -0.660 1.00 10.00 H new ATOM 0 HB2 ALA A 78 0.502 -13.407 -0.317 1.00 10.00 H new ATOM 0 HB3 ALA A 78 1.786 -13.508 -1.545 1.00 10.00 H new ATOM 47 N GLY A 79 1.182 -10.419 -2.879 1.00 10.00 N ATOM 48 CA GLY A 79 0.919 -9.306 -3.753 1.00 10.00 C ATOM 49 C GLY A 79 -0.596 -9.110 -3.709 1.00 10.00 C ATOM 50 O GLY A 79 -1.165 -8.961 -2.634 1.00 10.00 O ATOM 0 H GLY A 79 1.706 -10.218 -2.027 1.00 10.00 H new ATOM 0 HA2 GLY A 79 1.442 -8.410 -3.418 1.00 10.00 H new ATOM 0 HA3 GLY A 79 1.260 -9.513 -4.767 1.00 10.00 H new ATOM 54 N LEU A 80 -1.263 -9.111 -4.860 1.00 10.00 N ATOM 55 CA LEU A 80 -2.512 -8.386 -4.990 1.00 10.00 C ATOM 56 C LEU A 80 -3.664 -8.797 -4.083 1.00 10.00 C ATOM 57 O LEU A 80 -4.350 -7.940 -3.527 1.00 10.00 O ATOM 58 CB LEU A 80 -2.894 -8.323 -6.466 1.00 10.00 C ATOM 59 CG LEU A 80 -4.277 -7.735 -6.766 1.00 10.00 C ATOM 60 CD1 LEU A 80 -4.261 -7.086 -8.154 1.00 10.00 C ATOM 61 CD2 LEU A 80 -5.365 -8.821 -6.704 1.00 10.00 C ATOM 0 H LEU A 80 -0.961 -9.600 -5.702 1.00 10.00 H new ATOM 0 HA LEU A 80 -2.312 -7.387 -4.603 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -2.145 -7.731 -6.992 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -2.850 -9.331 -6.878 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.509 -6.984 -6.011 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -5.243 -6.667 -8.371 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -3.515 -6.292 -8.176 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -4.014 -7.837 -8.904 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -6.336 -8.376 -6.921 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -5.148 -9.595 -7.440 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -5.382 -9.262 -5.707 1.00 10.00 H new ATOM 73 N GLU A 81 -3.915 -10.091 -3.960 1.00 10.00 N ATOM 74 CA GLU A 81 -5.050 -10.546 -3.165 1.00 10.00 C ATOM 75 C GLU A 81 -4.823 -10.158 -1.704 1.00 10.00 C ATOM 76 O GLU A 81 -5.690 -9.558 -1.064 1.00 10.00 O ATOM 77 CB GLU A 81 -5.246 -12.050 -3.355 1.00 10.00 C ATOM 78 CG GLU A 81 -6.693 -12.499 -3.139 1.00 10.00 C ATOM 79 CD GLU A 81 -6.823 -13.958 -3.536 1.00 10.00 C ATOM 80 OE1 GLU A 81 -6.464 -14.254 -4.697 1.00 10.00 O ATOM 81 OE2 GLU A 81 -7.190 -14.775 -2.665 1.00 10.00 O ATOM 0 H GLU A 81 -3.362 -10.833 -4.390 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.970 -10.064 -3.495 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.932 -12.327 -4.362 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -4.598 -12.585 -2.661 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -6.976 -12.366 -2.095 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -7.370 -11.885 -3.733 1.00 10.00 H new ATOM 88 N ASP A 82 -3.613 -10.439 -1.207 1.00 10.00 N ATOM 89 CA ASP A 82 -3.221 -10.058 0.143 1.00 10.00 C ATOM 90 C ASP A 82 -3.355 -8.555 0.286 1.00 10.00 C ATOM 91 O ASP A 82 -3.885 -8.053 1.270 1.00 10.00 O ATOM 92 CB ASP A 82 -1.787 -10.474 0.486 1.00 10.00 C ATOM 93 CG ASP A 82 -1.627 -11.964 0.761 1.00 10.00 C ATOM 94 OD1 ASP A 82 -2.291 -12.758 0.060 1.00 10.00 O ATOM 95 OD2 ASP A 82 -0.802 -12.281 1.642 1.00 10.00 O ATOM 0 H ASP A 82 -2.888 -10.932 -1.728 1.00 10.00 H new ATOM 0 HA ASP A 82 -3.880 -10.580 0.836 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -1.131 -10.194 -0.338 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -1.456 -9.915 1.361 1.00 10.00 H new ATOM 100 N LEU A 83 -2.873 -7.828 -0.712 1.00 10.00 N ATOM 101 CA LEU A 83 -2.928 -6.389 -0.714 1.00 10.00 C ATOM 102 C LEU A 83 -4.334 -5.834 -0.619 1.00 10.00 C ATOM 103 O LEU A 83 -4.557 -4.919 0.151 1.00 10.00 O ATOM 104 CB LEU A 83 -2.277 -5.841 -1.932 1.00 10.00 C ATOM 105 CG LEU A 83 -0.764 -5.934 -1.809 1.00 10.00 C ATOM 106 CD1 LEU A 83 -0.338 -5.622 -3.223 1.00 10.00 C ATOM 107 CD2 LEU A 83 -0.111 -4.964 -0.806 1.00 10.00 C ATOM 0 H LEU A 83 -2.434 -8.229 -1.541 1.00 10.00 H new ATOM 0 HA LEU A 83 -2.392 -6.076 0.182 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -2.612 -6.392 -2.811 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -2.574 -4.802 -2.075 1.00 10.00 H new ATOM 0 HG LEU A 83 -0.453 -6.901 -1.414 1.00 10.00 H new ATOM 0 HD11 LEU A 83 0.749 -5.652 -3.290 1.00 10.00 H new ATOM 0 HD12 LEU A 83 -0.765 -6.360 -3.903 1.00 10.00 H new ATOM 0 HD13 LEU A 83 -0.691 -4.628 -3.498 1.00 10.00 H new ATOM 0 HD21 LEU A 83 0.968 -5.118 -0.801 1.00 10.00 H new ATOM 0 HD22 LEU A 83 -0.330 -3.937 -1.098 1.00 10.00 H new ATOM 0 HD23 LEU A 83 -0.509 -5.150 0.192 1.00 10.00 H new ATOM 119 N GLN A 84 -5.286 -6.317 -1.412 1.00 10.00 N ATOM 120 CA GLN A 84 -6.639 -5.778 -1.358 1.00 10.00 C ATOM 121 C GLN A 84 -7.163 -5.844 0.086 1.00 10.00 C ATOM 122 O GLN A 84 -7.761 -4.890 0.586 1.00 10.00 O ATOM 123 CB GLN A 84 -7.523 -6.546 -2.352 1.00 10.00 C ATOM 124 CG GLN A 84 -8.716 -5.712 -2.845 1.00 10.00 C ATOM 125 CD GLN A 84 -8.466 -5.123 -4.235 1.00 10.00 C ATOM 126 OE1 GLN A 84 -9.090 -5.537 -5.204 1.00 10.00 O ATOM 127 NE2 GLN A 84 -7.545 -4.171 -4.359 1.00 10.00 N ATOM 0 H GLN A 84 -5.149 -7.068 -2.089 1.00 10.00 H new ATOM 0 HA GLN A 84 -6.653 -4.728 -1.651 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -6.921 -6.853 -3.207 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -7.891 -7.456 -1.878 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -9.609 -6.336 -2.871 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -8.911 -4.905 -2.139 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -7.038 -3.842 -3.537 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -7.346 -3.770 -5.276 1.00 10.00 H new ATOM 136 N VAL A 85 -6.875 -6.946 0.785 1.00 10.00 N ATOM 137 CA VAL A 85 -7.175 -7.127 2.179 1.00 10.00 C ATOM 138 C VAL A 85 -6.330 -6.166 3.041 1.00 10.00 C ATOM 139 O VAL A 85 -6.878 -5.516 3.930 1.00 10.00 O ATOM 140 CB VAL A 85 -6.953 -8.622 2.451 1.00 10.00 C ATOM 141 CG1 VAL A 85 -7.016 -8.913 3.935 1.00 10.00 C ATOM 142 CG2 VAL A 85 -7.986 -9.478 1.704 1.00 10.00 C ATOM 0 H VAL A 85 -6.412 -7.753 0.368 1.00 10.00 H new ATOM 0 HA VAL A 85 -8.201 -6.871 2.445 1.00 10.00 H new ATOM 0 HB VAL A 85 -5.960 -8.881 2.085 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -6.856 -9.978 4.104 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -6.243 -8.344 4.451 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -7.995 -8.627 4.321 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -7.805 -10.532 1.914 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -8.989 -9.209 2.035 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -7.898 -9.302 0.632 1.00 10.00 H new ATOM 152 N ALA A 86 -5.021 -6.059 2.770 1.00 10.00 N ATOM 153 CA ALA A 86 -4.083 -5.140 3.417 1.00 10.00 C ATOM 154 C ALA A 86 -4.692 -3.734 3.430 1.00 10.00 C ATOM 155 O ALA A 86 -5.015 -3.170 4.475 1.00 10.00 O ATOM 156 CB ALA A 86 -2.712 -5.169 2.690 1.00 10.00 C ATOM 0 H ALA A 86 -4.571 -6.638 2.061 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.906 -5.450 4.447 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -2.025 -4.481 3.182 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -2.302 -6.178 2.726 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.845 -4.868 1.651 1.00 10.00 H new ATOM 162 N PHE A 87 -4.880 -3.207 2.223 1.00 10.00 N ATOM 163 CA PHE A 87 -5.569 -1.984 1.891 1.00 10.00 C ATOM 164 C PHE A 87 -6.847 -1.832 2.695 1.00 10.00 C ATOM 165 O PHE A 87 -6.955 -0.866 3.439 1.00 10.00 O ATOM 166 CB PHE A 87 -5.807 -1.951 0.367 1.00 10.00 C ATOM 167 CG PHE A 87 -4.543 -1.699 -0.440 1.00 10.00 C ATOM 168 CD1 PHE A 87 -3.663 -0.699 -0.011 1.00 10.00 C ATOM 169 CD2 PHE A 87 -4.205 -2.438 -1.591 1.00 10.00 C ATOM 170 CE1 PHE A 87 -2.358 -0.657 -0.513 1.00 10.00 C ATOM 171 CE2 PHE A 87 -2.895 -2.357 -2.111 1.00 10.00 C ATOM 172 CZ PHE A 87 -1.915 -1.636 -1.407 1.00 10.00 C ATOM 0 H PHE A 87 -4.520 -3.671 1.389 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.955 -1.125 2.161 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -6.244 -2.899 0.055 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -6.536 -1.173 0.138 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -3.991 0.039 0.706 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.943 -3.062 -2.072 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -1.690 0.135 -0.209 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -2.648 -2.845 -3.042 1.00 10.00 H new ATOM 0 HZ PHE A 87 -0.862 -1.831 -1.551 1.00 10.00 H new ATOM 182 N ARG A 88 -7.786 -2.776 2.600 1.00 10.00 N ATOM 183 CA ARG A 88 -9.083 -2.638 3.258 1.00 10.00 C ATOM 184 C ARG A 88 -8.989 -2.253 4.747 1.00 10.00 C ATOM 185 O ARG A 88 -9.924 -1.658 5.278 1.00 10.00 O ATOM 186 CB ARG A 88 -9.911 -3.916 3.046 1.00 10.00 C ATOM 187 CG ARG A 88 -11.404 -3.691 3.345 1.00 10.00 C ATOM 188 CD ARG A 88 -11.923 -4.615 4.450 1.00 10.00 C ATOM 189 NE ARG A 88 -11.975 -6.014 3.992 1.00 10.00 N ATOM 190 CZ ARG A 88 -12.639 -7.000 4.617 1.00 10.00 C ATOM 191 NH1 ARG A 88 -13.205 -6.768 5.807 1.00 10.00 N ATOM 192 NH2 ARG A 88 -12.740 -8.207 4.050 1.00 10.00 N ATOM 0 H ARG A 88 -7.671 -3.642 2.074 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.593 -1.797 2.788 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -9.795 -4.257 2.017 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -9.527 -4.708 3.690 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -11.561 -2.653 3.639 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -11.983 -3.855 2.436 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -11.277 -4.539 5.325 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -12.917 -4.293 4.760 1.00 10.00 H new ATOM 0 HE ARG A 88 -11.470 -6.251 3.138 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -13.131 -5.845 6.236 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -13.710 -7.514 6.285 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -12.312 -8.381 3.141 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -13.245 -8.954 4.527 1.00 10.00 H new ATOM 206 N ALA A 89 -7.891 -2.581 5.439 1.00 10.00 N ATOM 207 CA ALA A 89 -7.681 -2.126 6.807 1.00 10.00 C ATOM 208 C ALA A 89 -7.383 -0.615 6.902 1.00 10.00 C ATOM 209 O ALA A 89 -7.890 0.043 7.808 1.00 10.00 O ATOM 210 CB ALA A 89 -6.602 -2.984 7.464 1.00 10.00 C ATOM 0 H ALA A 89 -7.138 -3.160 5.068 1.00 10.00 H new ATOM 0 HA ALA A 89 -8.612 -2.256 7.358 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -6.442 -2.646 8.488 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -6.920 -4.026 7.471 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -5.672 -2.892 6.902 1.00 10.00 H new ATOM 216 N PHE A 90 -6.568 -0.060 5.995 1.00 10.00 N ATOM 217 CA PHE A 90 -6.176 1.347 5.946 1.00 10.00 C ATOM 218 C PHE A 90 -6.313 1.852 4.514 1.00 10.00 C ATOM 219 O PHE A 90 -5.321 2.118 3.835 1.00 10.00 O ATOM 220 CB PHE A 90 -4.749 1.531 6.446 1.00 10.00 C ATOM 221 CG PHE A 90 -4.384 0.758 7.670 1.00 10.00 C ATOM 222 CD1 PHE A 90 -4.007 -0.574 7.503 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.575 1.290 8.954 1.00 10.00 C ATOM 224 CE1 PHE A 90 -3.971 -1.420 8.605 1.00 10.00 C ATOM 225 CE2 PHE A 90 -4.451 0.451 10.072 1.00 10.00 C ATOM 226 CZ PHE A 90 -4.192 -0.920 9.899 1.00 10.00 C ATOM 0 H PHE A 90 -6.148 -0.607 5.244 1.00 10.00 H new ATOM 0 HA PHE A 90 -6.830 1.925 6.599 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.065 1.251 5.645 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -4.588 2.590 6.647 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -3.745 -0.946 6.524 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -4.815 2.335 9.081 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -3.771 -2.472 8.465 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -4.555 0.859 11.067 1.00 10.00 H new ATOM 0 HZ PHE A 90 -4.163 -1.582 10.752 1.00 10.00 H new ATOM 236 N ASP A 91 -7.561 1.959 4.066 1.00 10.00 N ATOM 237 CA ASP A 91 -7.914 2.566 2.799 1.00 10.00 C ATOM 238 C ASP A 91 -9.037 3.558 3.085 1.00 10.00 C ATOM 239 O ASP A 91 -10.185 3.364 2.688 1.00 10.00 O ATOM 240 CB ASP A 91 -8.294 1.465 1.804 1.00 10.00 C ATOM 241 CG ASP A 91 -8.616 2.005 0.425 1.00 10.00 C ATOM 242 OD1 ASP A 91 -8.245 3.169 0.157 1.00 10.00 O ATOM 243 OD2 ASP A 91 -9.199 1.215 -0.349 1.00 10.00 O ATOM 0 H ASP A 91 -8.367 1.617 4.589 1.00 10.00 H new ATOM 0 HA ASP A 91 -7.089 3.109 2.339 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -7.473 0.752 1.727 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -9.156 0.919 2.186 1.00 10.00 H new ATOM 248 N GLN A 92 -8.711 4.598 3.861 1.00 10.00 N ATOM 249 CA GLN A 92 -9.657 5.670 4.150 1.00 10.00 C ATOM 250 C GLN A 92 -10.071 6.356 2.851 1.00 10.00 C ATOM 251 O GLN A 92 -11.232 6.724 2.688 1.00 10.00 O ATOM 252 CB GLN A 92 -9.048 6.694 5.116 1.00 10.00 C ATOM 253 CG GLN A 92 -9.143 6.239 6.575 1.00 10.00 C ATOM 254 CD GLN A 92 -8.772 7.377 7.521 1.00 10.00 C ATOM 255 OE1 GLN A 92 -9.632 8.143 7.947 1.00 10.00 O ATOM 256 NE2 GLN A 92 -7.496 7.511 7.856 1.00 10.00 N ATOM 0 H GLN A 92 -7.797 4.716 4.298 1.00 10.00 H new ATOM 0 HA GLN A 92 -10.536 5.236 4.626 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -8.002 6.859 4.856 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -9.560 7.649 5.001 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -10.156 5.897 6.789 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -8.479 5.391 6.740 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -6.801 6.861 7.488 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -7.209 8.264 8.482 1.00 10.00 H new ATOM 265 N ASP A 93 -9.104 6.547 1.953 1.00 10.00 N ATOM 266 CA ASP A 93 -9.311 7.174 0.663 1.00 10.00 C ATOM 267 C ASP A 93 -10.267 6.331 -0.192 1.00 10.00 C ATOM 268 O ASP A 93 -11.390 6.774 -0.418 1.00 10.00 O ATOM 269 CB ASP A 93 -7.960 7.432 -0.005 1.00 10.00 C ATOM 270 CG ASP A 93 -7.324 8.752 0.403 1.00 10.00 C ATOM 271 OD1 ASP A 93 -6.744 8.810 1.511 1.00 10.00 O ATOM 272 OD2 ASP A 93 -7.352 9.698 -0.413 1.00 10.00 O ATOM 0 H ASP A 93 -8.138 6.262 2.113 1.00 10.00 H new ATOM 0 HA ASP A 93 -9.792 8.144 0.787 1.00 10.00 H new ATOM 0 HB2 ASP A 93 -7.279 6.618 0.243 1.00 10.00 H new ATOM 0 HB3 ASP A 93 -8.090 7.420 -1.087 1.00 10.00 H new ATOM 277 N GLY A 94 -9.882 5.136 -0.671 1.00 10.00 N ATOM 278 CA GLY A 94 -10.848 4.195 -1.235 1.00 10.00 C ATOM 279 C GLY A 94 -11.237 4.519 -2.673 1.00 10.00 C ATOM 280 O GLY A 94 -11.018 3.707 -3.571 1.00 10.00 O ATOM 0 H GLY A 94 -8.917 4.806 -0.677 1.00 10.00 H new ATOM 0 HA2 GLY A 94 -10.430 3.189 -1.197 1.00 10.00 H new ATOM 0 HA3 GLY A 94 -11.745 4.191 -0.616 1.00 10.00 H new ATOM 284 N ASP A 95 -11.812 5.706 -2.888 1.00 10.00 N ATOM 285 CA ASP A 95 -12.261 6.225 -4.178 1.00 10.00 C ATOM 286 C ASP A 95 -11.213 5.941 -5.252 1.00 10.00 C ATOM 287 O ASP A 95 -11.528 5.462 -6.341 1.00 10.00 O ATOM 288 CB ASP A 95 -12.502 7.741 -4.077 1.00 10.00 C ATOM 289 CG ASP A 95 -13.852 8.112 -3.472 1.00 10.00 C ATOM 290 OD1 ASP A 95 -14.395 7.290 -2.705 1.00 10.00 O ATOM 291 OD2 ASP A 95 -14.320 9.224 -3.800 1.00 10.00 O ATOM 0 H ASP A 95 -11.984 6.362 -2.126 1.00 10.00 H new ATOM 0 HA ASP A 95 -13.193 5.730 -4.451 1.00 10.00 H new ATOM 0 HB2 ASP A 95 -11.710 8.186 -3.474 1.00 10.00 H new ATOM 0 HB3 ASP A 95 -12.428 8.178 -5.073 1.00 10.00 H new ATOM 296 N GLY A 96 -9.956 6.235 -4.921 1.00 10.00 N ATOM 297 CA GLY A 96 -8.821 5.853 -5.734 1.00 10.00 C ATOM 298 C GLY A 96 -7.549 6.452 -5.158 1.00 10.00 C ATOM 299 O GLY A 96 -6.879 7.221 -5.841 1.00 10.00 O ATOM 0 H GLY A 96 -9.704 6.747 -4.076 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -8.738 4.767 -5.771 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -8.964 6.197 -6.758 1.00 10.00 H new ATOM 303 N HIS A 97 -7.206 6.097 -3.912 1.00 10.00 N ATOM 304 CA HIS A 97 -5.953 6.478 -3.270 1.00 10.00 C ATOM 305 C HIS A 97 -5.701 5.587 -2.046 1.00 10.00 C ATOM 306 O HIS A 97 -6.669 5.147 -1.442 1.00 10.00 O ATOM 307 CB HIS A 97 -5.961 7.970 -2.886 1.00 10.00 C ATOM 308 CG HIS A 97 -5.399 8.885 -3.942 1.00 10.00 C ATOM 309 ND1 HIS A 97 -4.135 8.838 -4.459 1.00 10.00 N flip ATOM 310 CD2 HIS A 97 -6.050 9.941 -4.536 1.00 10.00 C flip ATOM 311 CE1 HIS A 97 -3.999 9.886 -5.370 1.00 10.00 C flip ATOM 312 NE2 HIS A 97 -5.185 10.515 -5.392 1.00 10.00 N flip ATOM 0 H HIS A 97 -7.807 5.527 -3.316 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.137 6.330 -3.977 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -6.986 8.272 -2.668 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -5.389 8.100 -1.967 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -7.067 10.252 -4.350 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -3.118 10.140 -5.941 1.00 10.00 H new ATOM 0 HE2 HIS A 97 -5.401 11.320 -5.979 1.00 10.00 H new ATOM 320 N ILE A 98 -4.434 5.331 -1.686 1.00 10.00 N ATOM 321 CA ILE A 98 -4.000 5.078 -0.303 1.00 10.00 C ATOM 322 C ILE A 98 -3.205 6.270 0.242 1.00 10.00 C ATOM 323 O ILE A 98 -2.760 7.159 -0.491 1.00 10.00 O ATOM 324 CB ILE A 98 -3.104 3.823 -0.122 1.00 10.00 C ATOM 325 CG1 ILE A 98 -2.165 3.496 -1.290 1.00 10.00 C ATOM 326 CG2 ILE A 98 -3.811 2.583 0.415 1.00 10.00 C ATOM 327 CD1 ILE A 98 -0.978 4.466 -1.298 1.00 10.00 C ATOM 0 H ILE A 98 -3.669 5.293 -2.359 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.930 4.914 0.241 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.448 4.156 0.683 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -1.806 2.470 -1.202 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -2.707 3.565 -2.233 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -3.095 1.766 0.503 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -4.235 2.802 1.395 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.609 2.294 -0.269 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -0.317 4.226 -2.131 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -1.343 5.487 -1.408 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -0.428 4.376 -0.361 1.00 10.00 H new ATOM 339 N THR A 99 -2.972 6.207 1.552 1.00 10.00 N ATOM 340 CA THR A 99 -1.920 6.848 2.319 1.00 10.00 C ATOM 341 C THR A 99 -0.811 5.803 2.534 1.00 10.00 C ATOM 342 O THR A 99 -1.006 4.779 3.186 1.00 10.00 O ATOM 343 CB THR A 99 -2.614 7.432 3.569 1.00 10.00 C ATOM 344 OG1 THR A 99 -3.120 8.708 3.220 1.00 10.00 O ATOM 345 CG2 THR A 99 -1.762 7.568 4.824 1.00 10.00 C ATOM 0 H THR A 99 -3.577 5.650 2.156 1.00 10.00 H new ATOM 0 HA THR A 99 -1.408 7.686 1.845 1.00 10.00 H new ATOM 0 HB THR A 99 -3.383 6.710 3.843 1.00 10.00 H new ATOM 0 HG1 THR A 99 -3.569 9.105 3.995 1.00 10.00 H new ATOM 0 HG21 THR A 99 -2.364 7.989 5.629 1.00 10.00 H new ATOM 0 HG22 THR A 99 -1.394 6.586 5.122 1.00 10.00 H new ATOM 0 HG23 THR A 99 -0.917 8.226 4.621 1.00 10.00 H new ATOM 353 N VAL A 100 0.369 6.038 1.944 1.00 10.00 N ATOM 354 CA VAL A 100 1.522 5.135 2.029 1.00 10.00 C ATOM 355 C VAL A 100 1.829 4.700 3.467 1.00 10.00 C ATOM 356 O VAL A 100 2.356 3.617 3.725 1.00 10.00 O ATOM 357 CB VAL A 100 2.723 5.783 1.345 1.00 10.00 C ATOM 358 CG1 VAL A 100 3.385 6.787 2.269 1.00 10.00 C ATOM 359 CG2 VAL A 100 3.750 4.755 0.861 1.00 10.00 C ATOM 0 H VAL A 100 0.551 6.873 1.387 1.00 10.00 H new ATOM 0 HA VAL A 100 1.277 4.213 1.502 1.00 10.00 H new ATOM 0 HB VAL A 100 2.342 6.299 0.463 1.00 10.00 H new ATOM 0 HG11 VAL A 100 4.239 7.238 1.764 1.00 10.00 H new ATOM 0 HG12 VAL A 100 2.668 7.564 2.535 1.00 10.00 H new ATOM 0 HG13 VAL A 100 3.724 6.281 3.173 1.00 10.00 H new ATOM 0 HG21 VAL A 100 4.583 5.270 0.382 1.00 10.00 H new ATOM 0 HG22 VAL A 100 4.119 4.181 1.711 1.00 10.00 H new ATOM 0 HG23 VAL A 100 3.280 4.081 0.144 1.00 10.00 H new ATOM 369 N ASP A 101 1.542 5.592 4.413 1.00 10.00 N ATOM 370 CA ASP A 101 1.802 5.297 5.823 1.00 10.00 C ATOM 371 C ASP A 101 0.827 4.253 6.381 1.00 10.00 C ATOM 372 O ASP A 101 1.227 3.296 7.039 1.00 10.00 O ATOM 373 CB ASP A 101 1.849 6.567 6.670 1.00 10.00 C ATOM 374 CG ASP A 101 2.569 6.252 7.971 1.00 10.00 C ATOM 375 OD1 ASP A 101 1.915 5.708 8.887 1.00 10.00 O ATOM 376 OD2 ASP A 101 3.800 6.475 7.999 1.00 10.00 O ATOM 0 H ASP A 101 1.136 6.511 4.235 1.00 10.00 H new ATOM 0 HA ASP A 101 2.795 4.850 5.880 1.00 10.00 H new ATOM 0 HB2 ASP A 101 2.367 7.362 6.133 1.00 10.00 H new ATOM 0 HB3 ASP A 101 0.840 6.925 6.873 1.00 10.00 H new ATOM 381 N GLU A 102 -0.449 4.403 6.036 1.00 10.00 N ATOM 382 CA GLU A 102 -1.534 3.466 6.308 1.00 10.00 C ATOM 383 C GLU A 102 -1.146 2.081 5.798 1.00 10.00 C ATOM 384 O GLU A 102 -1.220 1.085 6.513 1.00 10.00 O ATOM 385 CB GLU A 102 -2.810 4.034 5.665 1.00 10.00 C ATOM 386 CG GLU A 102 -3.597 4.860 6.694 1.00 10.00 C ATOM 387 CD GLU A 102 -4.974 5.265 6.179 1.00 10.00 C ATOM 388 OE1 GLU A 102 -5.174 5.230 4.947 1.00 10.00 O ATOM 389 OE2 GLU A 102 -5.817 5.593 7.040 1.00 10.00 O ATOM 0 H GLU A 102 -0.771 5.228 5.531 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.725 3.348 7.375 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.549 4.657 4.810 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -3.430 3.220 5.289 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -3.710 4.282 7.611 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -3.029 5.755 6.949 1.00 10.00 H new ATOM 396 N LEU A 103 -0.624 2.035 4.582 1.00 10.00 N ATOM 397 CA LEU A 103 0.026 0.859 4.024 1.00 10.00 C ATOM 398 C LEU A 103 1.037 0.220 4.990 1.00 10.00 C ATOM 399 O LEU A 103 1.070 -0.997 5.176 1.00 10.00 O ATOM 400 CB LEU A 103 0.704 1.310 2.731 1.00 10.00 C ATOM 401 CG LEU A 103 0.036 0.699 1.514 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.490 1.536 0.313 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.469 -0.752 1.293 1.00 10.00 C ATOM 0 H LEU A 103 -0.641 2.830 3.943 1.00 10.00 H new ATOM 0 HA LEU A 103 -0.714 0.081 3.837 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.669 2.397 2.660 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.756 1.026 2.752 1.00 10.00 H new ATOM 0 HG LEU A 103 -1.046 0.698 1.647 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.038 1.141 -0.597 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.179 2.571 0.453 1.00 10.00 H new ATOM 0 HD13 LEU A 103 1.576 1.492 0.228 1.00 10.00 H new ATOM 0 HD21 LEU A 103 -0.033 -1.151 0.412 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.548 -0.791 1.145 1.00 10.00 H new ATOM 0 HD23 LEU A 103 0.200 -1.349 2.165 1.00 10.00 H new ATOM 415 N ARG A 104 1.874 1.040 5.621 1.00 10.00 N ATOM 416 CA ARG A 104 2.880 0.578 6.565 1.00 10.00 C ATOM 417 C ARG A 104 2.248 0.016 7.848 1.00 10.00 C ATOM 418 O ARG A 104 2.872 -0.795 8.530 1.00 10.00 O ATOM 419 CB ARG A 104 3.863 1.722 6.843 1.00 10.00 C ATOM 420 CG ARG A 104 5.255 1.200 7.234 1.00 10.00 C ATOM 421 CD ARG A 104 6.320 2.305 7.339 1.00 10.00 C ATOM 422 NE ARG A 104 6.243 3.282 6.228 1.00 10.00 N ATOM 423 CZ ARG A 104 5.872 4.566 6.388 1.00 10.00 C ATOM 424 NH1 ARG A 104 5.992 5.156 7.578 1.00 10.00 N ATOM 425 NH2 ARG A 104 5.350 5.254 5.371 1.00 10.00 N ATOM 0 H ARG A 104 1.870 2.051 5.488 1.00 10.00 H new ATOM 0 HA ARG A 104 3.431 -0.254 6.127 1.00 10.00 H new ATOM 0 HB2 ARG A 104 3.947 2.352 5.957 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.472 2.350 7.644 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.184 0.683 8.191 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.578 0.464 6.497 1.00 10.00 H new ATOM 0 HD2 ARG A 104 6.201 2.829 8.287 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.310 1.850 7.349 1.00 10.00 H new ATOM 0 HE ARG A 104 6.485 2.964 5.289 1.00 10.00 H new ATOM 0 HH11 ARG A 104 6.366 4.634 8.371 1.00 10.00 H new ATOM 0 HH12 ARG A 104 5.710 6.129 7.696 1.00 10.00 H new ATOM 0 HH21 ARG A 104 5.229 4.807 4.462 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.072 6.227 5.503 1.00 10.00 H new ATOM 439 N ARG A 105 1.021 0.429 8.188 1.00 10.00 N ATOM 440 CA ARG A 105 0.224 -0.235 9.215 1.00 10.00 C ATOM 441 C ARG A 105 -0.307 -1.568 8.667 1.00 10.00 C ATOM 442 O ARG A 105 -0.165 -2.593 9.331 1.00 10.00 O ATOM 443 CB ARG A 105 -0.905 0.672 9.730 1.00 10.00 C ATOM 444 CG ARG A 105 -0.500 1.704 10.796 1.00 10.00 C ATOM 445 CD ARG A 105 0.607 2.688 10.390 1.00 10.00 C ATOM 446 NE ARG A 105 1.944 2.126 10.643 1.00 10.00 N ATOM 447 CZ ARG A 105 3.045 2.850 10.904 1.00 10.00 C ATOM 448 NH1 ARG A 105 3.098 4.152 10.608 1.00 10.00 N ATOM 449 NH2 ARG A 105 4.097 2.259 11.484 1.00 10.00 N ATOM 0 H ARG A 105 0.558 1.230 7.758 1.00 10.00 H new ATOM 0 HA ARG A 105 0.858 -0.445 10.076 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -1.334 1.204 8.881 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -1.693 0.041 10.142 1.00 10.00 H new ATOM 0 HG2 ARG A 105 -1.385 2.277 11.074 1.00 10.00 H new ATOM 0 HG3 ARG A 105 -0.174 1.168 11.687 1.00 10.00 H new ATOM 0 HD2 ARG A 105 0.508 2.934 9.333 1.00 10.00 H new ATOM 0 HD3 ARG A 105 0.491 3.619 10.946 1.00 10.00 H new ATOM 0 HE ARG A 105 2.042 1.111 10.618 1.00 10.00 H new ATOM 0 HH11 ARG A 105 2.295 4.610 10.177 1.00 10.00 H new ATOM 0 HH12 ARG A 105 3.942 4.688 10.813 1.00 10.00 H new ATOM 0 HH21 ARG A 105 4.058 1.268 11.723 1.00 10.00 H new ATOM 0 HH22 ARG A 105 4.938 2.799 11.687 1.00 10.00 H new ATOM 463 N ALA A 106 -0.882 -1.566 7.458 1.00 10.00 N ATOM 464 CA ALA A 106 -1.434 -2.747 6.785 1.00 10.00 C ATOM 465 C ALA A 106 -0.554 -3.973 6.923 1.00 10.00 C ATOM 466 O ALA A 106 -1.017 -5.060 7.264 1.00 10.00 O ATOM 467 CB ALA A 106 -1.703 -2.452 5.311 1.00 10.00 C ATOM 0 H ALA A 106 -0.979 -0.715 6.904 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.375 -2.975 7.286 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.112 -3.341 4.831 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.418 -1.633 5.228 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -0.771 -2.171 4.820 1.00 10.00 H new ATOM 473 N MET A 107 0.730 -3.766 6.670 1.00 10.00 N ATOM 474 CA MET A 107 1.767 -4.770 6.770 1.00 10.00 C ATOM 475 C MET A 107 1.738 -5.598 8.058 1.00 10.00 C ATOM 476 O MET A 107 2.108 -6.770 8.029 1.00 10.00 O ATOM 477 CB MET A 107 3.081 -4.039 6.613 1.00 10.00 C ATOM 478 CG MET A 107 3.278 -3.677 5.146 1.00 10.00 C ATOM 479 SD MET A 107 3.993 -5.016 4.168 1.00 10.00 S ATOM 480 CE MET A 107 4.911 -3.989 3.017 1.00 10.00 C ATOM 0 H MET A 107 1.087 -2.856 6.378 1.00 10.00 H new ATOM 0 HA MET A 107 1.611 -5.514 5.989 1.00 10.00 H new ATOM 0 HB2 MET A 107 3.086 -3.138 7.227 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.903 -4.665 6.960 1.00 10.00 H new ATOM 0 HG2 MET A 107 2.316 -3.396 4.716 1.00 10.00 H new ATOM 0 HG3 MET A 107 3.925 -2.802 5.079 1.00 10.00 H new ATOM 0 HE1 MET A 107 5.524 -4.621 2.374 1.00 10.00 H new ATOM 0 HE2 MET A 107 4.214 -3.416 2.405 1.00 10.00 H new ATOM 0 HE3 MET A 107 5.553 -3.305 3.572 1.00 10.00 H new ATOM 490 N ALA A 108 1.270 -5.037 9.177 1.00 10.00 N ATOM 491 CA ALA A 108 1.021 -5.814 10.388 1.00 10.00 C ATOM 492 C ALA A 108 0.246 -7.097 10.054 1.00 10.00 C ATOM 493 O ALA A 108 0.633 -8.195 10.454 1.00 10.00 O ATOM 494 CB ALA A 108 0.273 -4.938 11.399 1.00 10.00 C ATOM 0 H ALA A 108 1.056 -4.044 9.266 1.00 10.00 H new ATOM 0 HA ALA A 108 1.967 -6.123 10.833 1.00 10.00 H new ATOM 0 HB1 ALA A 108 0.083 -5.511 12.307 1.00 10.00 H new ATOM 0 HB2 ALA A 108 0.878 -4.064 11.641 1.00 10.00 H new ATOM 0 HB3 ALA A 108 -0.675 -4.615 10.969 1.00 10.00 H new ATOM 500 N GLY A 109 -0.811 -6.953 9.252 1.00 10.00 N ATOM 501 CA GLY A 109 -1.632 -8.041 8.745 1.00 10.00 C ATOM 502 C GLY A 109 -0.818 -9.119 8.026 1.00 10.00 C ATOM 503 O GLY A 109 -1.148 -10.300 8.108 1.00 10.00 O ATOM 0 H GLY A 109 -1.126 -6.038 8.929 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.175 -8.496 9.574 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -2.377 -7.638 8.059 1.00 10.00 H new ATOM 507 N LEU A 110 0.243 -8.723 7.319 1.00 10.00 N ATOM 508 CA LEU A 110 1.085 -9.626 6.546 1.00 10.00 C ATOM 509 C LEU A 110 2.095 -10.367 7.427 1.00 10.00 C ATOM 510 O LEU A 110 2.905 -11.127 6.902 1.00 10.00 O ATOM 511 CB LEU A 110 1.792 -8.832 5.429 1.00 10.00 C ATOM 512 CG LEU A 110 0.894 -8.673 4.192 1.00 10.00 C ATOM 513 CD1 LEU A 110 1.181 -7.358 3.459 1.00 10.00 C ATOM 514 CD2 LEU A 110 1.143 -9.843 3.232 1.00 10.00 C ATOM 0 H LEU A 110 0.542 -7.749 7.270 1.00 10.00 H new ATOM 0 HA LEU A 110 0.451 -10.391 6.098 1.00 10.00 H new ATOM 0 HB2 LEU A 110 2.074 -7.848 5.804 1.00 10.00 H new ATOM 0 HB3 LEU A 110 2.714 -9.341 5.147 1.00 10.00 H new ATOM 0 HG LEU A 110 -0.144 -8.664 4.525 1.00 10.00 H new ATOM 0 HD11 LEU A 110 0.529 -7.277 2.589 1.00 10.00 H new ATOM 0 HD12 LEU A 110 0.997 -6.519 4.130 1.00 10.00 H new ATOM 0 HD13 LEU A 110 2.222 -7.341 3.135 1.00 10.00 H new ATOM 0 HD21 LEU A 110 0.508 -9.734 2.353 1.00 10.00 H new ATOM 0 HD22 LEU A 110 2.189 -9.846 2.926 1.00 10.00 H new ATOM 0 HD23 LEU A 110 0.909 -10.782 3.734 1.00 10.00 H new ATOM 526 N GLY A 111 2.123 -10.141 8.747 1.00 10.00 N ATOM 527 CA GLY A 111 3.051 -10.854 9.621 1.00 10.00 C ATOM 528 C GLY A 111 4.472 -10.284 9.572 1.00 10.00 C ATOM 529 O GLY A 111 5.254 -10.520 10.489 1.00 10.00 O ATOM 0 H GLY A 111 1.517 -9.475 9.226 1.00 10.00 H new ATOM 0 HA2 GLY A 111 2.683 -10.811 10.646 1.00 10.00 H new ATOM 0 HA3 GLY A 111 3.077 -11.906 9.335 1.00 10.00 H new ATOM 533 N GLN A 112 4.799 -9.509 8.534 1.00 10.00 N ATOM 534 CA GLN A 112 5.974 -8.665 8.462 1.00 10.00 C ATOM 535 C GLN A 112 5.530 -7.227 8.770 1.00 10.00 C ATOM 536 O GLN A 112 5.134 -6.534 7.841 1.00 10.00 O ATOM 537 CB GLN A 112 6.634 -8.816 7.075 1.00 10.00 C ATOM 538 CG GLN A 112 5.711 -8.856 5.834 1.00 10.00 C ATOM 539 CD GLN A 112 6.540 -8.696 4.560 1.00 10.00 C ATOM 540 OE1 GLN A 112 7.695 -9.105 4.520 1.00 10.00 O ATOM 541 NE2 GLN A 112 5.969 -8.089 3.526 1.00 10.00 N ATOM 0 H GLN A 112 4.224 -9.457 7.693 1.00 10.00 H new ATOM 0 HA GLN A 112 6.731 -8.953 9.192 1.00 10.00 H new ATOM 0 HB2 GLN A 112 7.333 -7.989 6.945 1.00 10.00 H new ATOM 0 HB3 GLN A 112 7.223 -9.733 7.083 1.00 10.00 H new ATOM 0 HG2 GLN A 112 5.166 -9.799 5.807 1.00 10.00 H new ATOM 0 HG3 GLN A 112 4.969 -8.060 5.897 1.00 10.00 H new ATOM 0 HE21 GLN A 112 5.005 -7.762 3.595 1.00 10.00 H new ATOM 0 HE22 GLN A 112 6.494 -7.950 2.663 1.00 10.00 H new ATOM 550 N PRO A 113 5.527 -6.767 10.035 1.00 10.00 N ATOM 551 CA PRO A 113 5.000 -5.457 10.410 1.00 10.00 C ATOM 552 C PRO A 113 5.978 -4.338 10.038 1.00 10.00 C ATOM 553 O PRO A 113 7.183 -4.520 10.191 1.00 10.00 O ATOM 554 CB PRO A 113 4.808 -5.530 11.929 1.00 10.00 C ATOM 555 CG PRO A 113 5.914 -6.486 12.369 1.00 10.00 C ATOM 556 CD PRO A 113 5.940 -7.499 11.225 1.00 10.00 C ATOM 0 HA PRO A 113 4.071 -5.230 9.887 1.00 10.00 H new ATOM 0 HB2 PRO A 113 4.911 -4.551 12.396 1.00 10.00 H new ATOM 0 HB3 PRO A 113 3.820 -5.907 12.193 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.871 -5.976 12.483 1.00 10.00 H new ATOM 0 HG3 PRO A 113 5.688 -6.958 13.325 1.00 10.00 H new ATOM 0 HD2 PRO A 113 6.937 -7.920 11.098 1.00 10.00 H new ATOM 0 HD3 PRO A 113 5.266 -8.332 11.425 1.00 10.00 H new ATOM 564 N LEU A 114 5.460 -3.192 9.556 1.00 10.00 N ATOM 565 CA LEU A 114 6.218 -2.039 9.062 1.00 10.00 C ATOM 566 C LEU A 114 7.613 -2.386 8.517 1.00 10.00 C ATOM 567 O LEU A 114 8.623 -1.846 8.973 1.00 10.00 O ATOM 568 CB LEU A 114 6.271 -0.930 10.118 1.00 10.00 C ATOM 569 CG LEU A 114 7.075 -1.329 11.365 1.00 10.00 C ATOM 570 CD1 LEU A 114 8.100 -0.235 11.669 1.00 10.00 C ATOM 571 CD2 LEU A 114 6.124 -1.583 12.530 1.00 10.00 C ATOM 0 H LEU A 114 4.452 -3.043 9.500 1.00 10.00 H new ATOM 0 HA LEU A 114 5.670 -1.667 8.196 1.00 10.00 H new ATOM 0 HB2 LEU A 114 6.713 -0.037 9.677 1.00 10.00 H new ATOM 0 HB3 LEU A 114 5.255 -0.669 10.415 1.00 10.00 H new ATOM 0 HG LEU A 114 7.622 -2.256 11.192 1.00 10.00 H new ATOM 0 HD11 LEU A 114 8.675 -0.511 12.553 1.00 10.00 H new ATOM 0 HD12 LEU A 114 8.773 -0.121 10.819 1.00 10.00 H new ATOM 0 HD13 LEU A 114 7.583 0.707 11.852 1.00 10.00 H new ATOM 0 HD21 LEU A 114 6.697 -1.866 13.413 1.00 10.00 H new ATOM 0 HD22 LEU A 114 5.557 -0.676 12.741 1.00 10.00 H new ATOM 0 HD23 LEU A 114 5.437 -2.389 12.270 1.00 10.00 H new ATOM 583 N PRO A 115 7.691 -3.274 7.522 1.00 10.00 N ATOM 584 CA PRO A 115 8.944 -3.771 7.012 1.00 10.00 C ATOM 585 C PRO A 115 9.524 -2.656 6.158 1.00 10.00 C ATOM 586 O PRO A 115 9.276 -2.598 4.955 1.00 10.00 O ATOM 587 CB PRO A 115 8.575 -5.021 6.216 1.00 10.00 C ATOM 588 CG PRO A 115 7.179 -4.691 5.693 1.00 10.00 C ATOM 589 CD PRO A 115 6.576 -3.805 6.773 1.00 10.00 C ATOM 0 HA PRO A 115 9.691 -4.038 7.759 1.00 10.00 H new ATOM 0 HB2 PRO A 115 9.278 -5.205 5.404 1.00 10.00 H new ATOM 0 HB3 PRO A 115 8.572 -5.913 6.843 1.00 10.00 H new ATOM 0 HG2 PRO A 115 7.225 -4.175 4.734 1.00 10.00 H new ATOM 0 HG3 PRO A 115 6.587 -5.593 5.541 1.00 10.00 H new ATOM 0 HD2 PRO A 115 5.984 -3.002 6.333 1.00 10.00 H new ATOM 0 HD3 PRO A 115 5.909 -4.376 7.419 1.00 10.00 H new ATOM 597 N GLN A 116 10.236 -1.728 6.805 1.00 10.00 N ATOM 598 CA GLN A 116 10.680 -0.492 6.185 1.00 10.00 C ATOM 599 C GLN A 116 11.326 -0.743 4.826 1.00 10.00 C ATOM 600 O GLN A 116 11.105 0.059 3.939 1.00 10.00 O ATOM 601 CB GLN A 116 11.586 0.326 7.123 1.00 10.00 C ATOM 602 CG GLN A 116 10.911 1.623 7.608 1.00 10.00 C ATOM 603 CD GLN A 116 10.943 2.780 6.602 1.00 10.00 C ATOM 604 OE1 GLN A 116 11.102 3.928 7.003 1.00 10.00 O ATOM 605 NE2 GLN A 116 10.778 2.510 5.311 1.00 10.00 N ATOM 0 H GLN A 116 10.519 -1.821 7.781 1.00 10.00 H new ATOM 0 HA GLN A 116 9.794 0.116 6.003 1.00 10.00 H new ATOM 0 HB2 GLN A 116 11.857 -0.284 7.985 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.512 0.574 6.604 1.00 10.00 H new ATOM 0 HG2 GLN A 116 9.872 1.405 7.856 1.00 10.00 H new ATOM 0 HG3 GLN A 116 11.397 1.947 8.528 1.00 10.00 H new ATOM 0 HE21 GLN A 116 10.648 1.546 5.004 1.00 10.00 H new ATOM 0 HE22 GLN A 116 10.782 3.267 4.627 1.00 10.00 H new ATOM 614 N GLU A 117 12.049 -1.846 4.646 1.00 10.00 N ATOM 615 CA GLU A 117 12.581 -2.275 3.359 1.00 10.00 C ATOM 616 C GLU A 117 11.486 -2.483 2.309 1.00 10.00 C ATOM 617 O GLU A 117 11.552 -1.892 1.233 1.00 10.00 O ATOM 618 CB GLU A 117 13.412 -3.539 3.605 1.00 10.00 C ATOM 619 CG GLU A 117 14.329 -3.872 2.427 1.00 10.00 C ATOM 620 CD GLU A 117 15.273 -5.016 2.782 1.00 10.00 C ATOM 621 OE1 GLU A 117 14.812 -5.935 3.493 1.00 10.00 O ATOM 622 OE2 GLU A 117 16.445 -4.937 2.358 1.00 10.00 O ATOM 0 H GLU A 117 12.285 -2.479 5.410 1.00 10.00 H new ATOM 0 HA GLU A 117 13.213 -1.493 2.939 1.00 10.00 H new ATOM 0 HB2 GLU A 117 14.014 -3.406 4.504 1.00 10.00 H new ATOM 0 HB3 GLU A 117 12.744 -4.380 3.791 1.00 10.00 H new ATOM 0 HG2 GLU A 117 13.729 -4.146 1.559 1.00 10.00 H new ATOM 0 HG3 GLU A 117 14.907 -2.990 2.150 1.00 10.00 H new ATOM 629 N GLU A 118 10.467 -3.296 2.596 1.00 10.00 N ATOM 630 CA GLU A 118 9.445 -3.579 1.598 1.00 10.00 C ATOM 631 C GLU A 118 8.641 -2.304 1.369 1.00 10.00 C ATOM 632 O GLU A 118 8.311 -1.956 0.235 1.00 10.00 O ATOM 633 CB GLU A 118 8.520 -4.724 2.026 1.00 10.00 C ATOM 634 CG GLU A 118 9.239 -6.047 2.338 1.00 10.00 C ATOM 635 CD GLU A 118 8.770 -7.162 1.411 1.00 10.00 C ATOM 636 OE1 GLU A 118 7.551 -7.444 1.450 1.00 10.00 O ATOM 637 OE2 GLU A 118 9.623 -7.691 0.668 1.00 10.00 O ATOM 0 H GLU A 118 10.332 -3.760 3.494 1.00 10.00 H new ATOM 0 HA GLU A 118 9.930 -3.900 0.676 1.00 10.00 H new ATOM 0 HB2 GLU A 118 7.962 -4.412 2.909 1.00 10.00 H new ATOM 0 HB3 GLU A 118 7.791 -4.900 1.235 1.00 10.00 H new ATOM 0 HG2 GLU A 118 10.316 -5.912 2.233 1.00 10.00 H new ATOM 0 HG3 GLU A 118 9.053 -6.330 3.374 1.00 10.00 H new ATOM 644 N LEU A 119 8.327 -1.588 2.454 1.00 10.00 N ATOM 645 CA LEU A 119 7.586 -0.352 2.310 1.00 10.00 C ATOM 646 C LEU A 119 8.417 0.714 1.596 1.00 10.00 C ATOM 647 O LEU A 119 7.827 1.480 0.862 1.00 10.00 O ATOM 648 CB LEU A 119 7.006 0.149 3.638 1.00 10.00 C ATOM 649 CG LEU A 119 5.514 0.561 3.545 1.00 10.00 C ATOM 650 CD1 LEU A 119 5.085 1.486 2.401 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.628 -0.672 3.471 1.00 10.00 C ATOM 0 H LEU A 119 8.570 -1.841 3.412 1.00 10.00 H new ATOM 0 HA LEU A 119 6.726 -0.569 1.677 1.00 10.00 H new ATOM 0 HB2 LEU A 119 7.113 -0.633 4.390 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.590 1.003 3.981 1.00 10.00 H new ATOM 0 HG LEU A 119 5.391 1.147 4.456 1.00 10.00 H new ATOM 0 HD11 LEU A 119 4.015 1.681 2.473 1.00 10.00 H new ATOM 0 HD12 LEU A 119 5.631 2.427 2.470 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.303 1.009 1.446 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.584 -0.366 3.406 1.00 10.00 H new ATOM 0 HD22 LEU A 119 4.891 -1.256 2.589 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.774 -1.279 4.365 1.00 10.00 H new ATOM 663 N ASP A 120 9.742 0.786 1.773 1.00 10.00 N ATOM 664 CA ASP A 120 10.641 1.693 1.053 1.00 10.00 C ATOM 665 C ASP A 120 10.601 1.349 -0.427 1.00 10.00 C ATOM 666 O ASP A 120 10.378 2.202 -1.290 1.00 10.00 O ATOM 667 CB ASP A 120 12.097 1.617 1.553 1.00 10.00 C ATOM 668 CG ASP A 120 12.425 2.531 2.732 1.00 10.00 C ATOM 669 OD1 ASP A 120 11.634 3.462 3.014 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.492 2.296 3.337 1.00 10.00 O ATOM 0 H ASP A 120 10.233 0.195 2.444 1.00 10.00 H new ATOM 0 HA ASP A 120 10.294 2.710 1.233 1.00 10.00 H new ATOM 0 HB2 ASP A 120 12.313 0.588 1.840 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.762 1.864 0.726 1.00 10.00 H new ATOM 675 N ALA A 121 10.819 0.063 -0.699 1.00 10.00 N ATOM 676 CA ALA A 121 10.764 -0.508 -2.027 1.00 10.00 C ATOM 677 C ALA A 121 9.469 -0.072 -2.723 1.00 10.00 C ATOM 678 O ALA A 121 9.511 0.478 -3.822 1.00 10.00 O ATOM 679 CB ALA A 121 10.936 -2.027 -1.904 1.00 10.00 C ATOM 0 H ALA A 121 11.044 -0.621 0.023 1.00 10.00 H new ATOM 0 HA ALA A 121 11.573 -0.145 -2.661 1.00 10.00 H new ATOM 0 HB1 ALA A 121 10.898 -2.479 -2.895 1.00 10.00 H new ATOM 0 HB2 ALA A 121 11.898 -2.248 -1.441 1.00 10.00 H new ATOM 0 HB3 ALA A 121 10.135 -2.435 -1.288 1.00 10.00 H new ATOM 685 N MET A 122 8.321 -0.236 -2.057 1.00 10.00 N ATOM 686 CA MET A 122 7.057 0.264 -2.561 1.00 10.00 C ATOM 687 C MET A 122 6.966 1.795 -2.546 1.00 10.00 C ATOM 688 O MET A 122 6.437 2.353 -3.496 1.00 10.00 O ATOM 689 CB MET A 122 5.902 -0.403 -1.811 1.00 10.00 C ATOM 690 CG MET A 122 5.439 -1.693 -2.509 1.00 10.00 C ATOM 691 SD MET A 122 4.525 -1.480 -4.070 1.00 10.00 S ATOM 692 CE MET A 122 5.740 -1.940 -5.326 1.00 10.00 C ATOM 0 H MET A 122 8.252 -0.717 -1.160 1.00 10.00 H new ATOM 0 HA MET A 122 6.985 -0.006 -3.615 1.00 10.00 H new ATOM 0 HB2 MET A 122 6.214 -0.633 -0.792 1.00 10.00 H new ATOM 0 HB3 MET A 122 5.065 0.292 -1.739 1.00 10.00 H new ATOM 0 HG2 MET A 122 6.316 -2.309 -2.707 1.00 10.00 H new ATOM 0 HG3 MET A 122 4.808 -2.250 -1.816 1.00 10.00 H new ATOM 0 HE1 MET A 122 5.224 -2.278 -6.225 1.00 10.00 H new ATOM 0 HE2 MET A 122 6.360 -1.076 -5.566 1.00 10.00 H new ATOM 0 HE3 MET A 122 6.370 -2.744 -4.946 1.00 10.00 H new ATOM 702 N ILE A 123 7.465 2.486 -1.516 1.00 10.00 N ATOM 703 CA ILE A 123 7.403 3.941 -1.345 1.00 10.00 C ATOM 704 C ILE A 123 7.899 4.597 -2.633 1.00 10.00 C ATOM 705 O ILE A 123 7.259 5.497 -3.166 1.00 10.00 O ATOM 706 CB ILE A 123 8.182 4.427 -0.098 1.00 10.00 C ATOM 707 CG1 ILE A 123 7.268 4.429 1.141 1.00 10.00 C ATOM 708 CG2 ILE A 123 8.759 5.845 -0.253 1.00 10.00 C ATOM 709 CD1 ILE A 123 8.021 4.304 2.473 1.00 10.00 C ATOM 0 H ILE A 123 7.945 2.025 -0.743 1.00 10.00 H new ATOM 0 HA ILE A 123 6.370 4.237 -1.162 1.00 10.00 H new ATOM 0 HB ILE A 123 9.010 3.728 0.018 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.687 5.351 1.149 1.00 10.00 H new ATOM 0 HG13 ILE A 123 6.559 3.606 1.058 1.00 10.00 H new ATOM 0 HG21 ILE A 123 9.292 6.122 0.656 1.00 10.00 H new ATOM 0 HG22 ILE A 123 9.447 5.867 -1.098 1.00 10.00 H new ATOM 0 HG23 ILE A 123 7.947 6.551 -0.427 1.00 10.00 H new ATOM 0 HD11 ILE A 123 7.307 4.313 3.297 1.00 10.00 H new ATOM 0 HD12 ILE A 123 8.581 3.369 2.488 1.00 10.00 H new ATOM 0 HD13 ILE A 123 8.711 5.141 2.581 1.00 10.00 H new ATOM 721 N ARG A 124 9.035 4.112 -3.143 1.00 10.00 N ATOM 722 CA ARG A 124 9.626 4.613 -4.375 1.00 10.00 C ATOM 723 C ARG A 124 8.652 4.542 -5.561 1.00 10.00 C ATOM 724 O ARG A 124 8.629 5.459 -6.379 1.00 10.00 O ATOM 725 CB ARG A 124 10.933 3.858 -4.645 1.00 10.00 C ATOM 726 CG ARG A 124 11.512 4.207 -6.022 1.00 10.00 C ATOM 727 CD ARG A 124 12.994 3.821 -6.111 1.00 10.00 C ATOM 728 NE ARG A 124 13.856 4.793 -5.418 1.00 10.00 N ATOM 729 CZ ARG A 124 14.210 5.993 -5.912 1.00 10.00 C ATOM 730 NH1 ARG A 124 13.725 6.396 -7.092 1.00 10.00 N ATOM 731 NH2 ARG A 124 15.045 6.784 -5.227 1.00 10.00 N ATOM 0 H ARG A 124 9.568 3.359 -2.708 1.00 10.00 H new ATOM 0 HA ARG A 124 9.851 5.672 -4.253 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.661 4.101 -3.871 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.753 2.785 -4.587 1.00 10.00 H new ATOM 0 HG2 ARG A 124 10.950 3.688 -6.799 1.00 10.00 H new ATOM 0 HG3 ARG A 124 11.399 5.275 -6.207 1.00 10.00 H new ATOM 0 HD2 ARG A 124 13.139 2.832 -5.676 1.00 10.00 H new ATOM 0 HD3 ARG A 124 13.290 3.755 -7.158 1.00 10.00 H new ATOM 0 HE ARG A 124 14.210 4.538 -4.496 1.00 10.00 H new ATOM 0 HH11 ARG A 124 13.089 5.794 -7.614 1.00 10.00 H new ATOM 0 HH12 ARG A 124 13.992 7.305 -7.469 1.00 10.00 H new ATOM 0 HH21 ARG A 124 15.415 6.477 -4.327 1.00 10.00 H new ATOM 0 HH22 ARG A 124 15.311 7.693 -5.605 1.00 10.00 H new ATOM 745 N GLU A 125 7.882 3.458 -5.679 1.00 10.00 N ATOM 746 CA GLU A 125 6.873 3.309 -6.725 1.00 10.00 C ATOM 747 C GLU A 125 5.589 4.066 -6.364 1.00 10.00 C ATOM 748 O GLU A 125 4.857 4.520 -7.243 1.00 10.00 O ATOM 749 CB GLU A 125 6.603 1.817 -6.969 1.00 10.00 C ATOM 750 CG GLU A 125 7.496 1.292 -8.099 1.00 10.00 C ATOM 751 CD GLU A 125 7.374 -0.217 -8.258 1.00 10.00 C ATOM 752 OE1 GLU A 125 6.218 -0.686 -8.304 1.00 10.00 O ATOM 753 OE2 GLU A 125 8.439 -0.868 -8.328 1.00 10.00 O ATOM 0 H GLU A 125 7.942 2.658 -5.049 1.00 10.00 H new ATOM 0 HA GLU A 125 7.249 3.747 -7.649 1.00 10.00 H new ATOM 0 HB2 GLU A 125 6.791 1.252 -6.056 1.00 10.00 H new ATOM 0 HB3 GLU A 125 5.554 1.668 -7.226 1.00 10.00 H new ATOM 0 HG2 GLU A 125 7.223 1.780 -9.035 1.00 10.00 H new ATOM 0 HG3 GLU A 125 8.534 1.554 -7.894 1.00 10.00 H new ATOM 760 N ALA A 126 5.306 4.200 -5.070 1.00 10.00 N ATOM 761 CA ALA A 126 4.118 4.821 -4.522 1.00 10.00 C ATOM 762 C ALA A 126 4.216 6.342 -4.613 1.00 10.00 C ATOM 763 O ALA A 126 4.110 7.019 -3.594 1.00 10.00 O ATOM 764 CB ALA A 126 3.945 4.370 -3.062 1.00 10.00 C ATOM 0 H ALA A 126 5.936 3.858 -4.344 1.00 10.00 H new ATOM 0 HA ALA A 126 3.247 4.512 -5.099 1.00 10.00 H new ATOM 0 HB1 ALA A 126 3.052 4.833 -2.641 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.842 3.285 -3.026 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.818 4.671 -2.482 1.00 10.00 H new ATOM 770 N ASP A 127 4.356 6.870 -5.833 1.00 10.00 N ATOM 771 CA ASP A 127 4.350 8.301 -6.083 1.00 10.00 C ATOM 772 C ASP A 127 3.594 8.593 -7.379 1.00 10.00 C ATOM 773 O ASP A 127 4.191 8.689 -8.452 1.00 10.00 O ATOM 774 CB ASP A 127 5.786 8.841 -6.105 1.00 10.00 C ATOM 775 CG ASP A 127 5.831 10.363 -5.988 1.00 10.00 C ATOM 776 OD1 ASP A 127 4.747 10.989 -6.032 1.00 10.00 O ATOM 777 OD2 ASP A 127 6.957 10.884 -5.843 1.00 10.00 O ATOM 0 H ASP A 127 4.477 6.307 -6.675 1.00 10.00 H new ATOM 0 HA ASP A 127 3.829 8.818 -5.277 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.352 8.398 -5.285 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.274 8.535 -7.031 1.00 10.00 H new ATOM 782 N VAL A 128 2.264 8.667 -7.289 1.00 10.00 N ATOM 783 CA VAL A 128 1.408 9.011 -8.423 1.00 10.00 C ATOM 784 C VAL A 128 1.160 10.516 -8.418 1.00 10.00 C ATOM 785 O VAL A 128 1.273 11.158 -9.459 1.00 10.00 O ATOM 786 CB VAL A 128 0.092 8.214 -8.371 1.00 10.00 C ATOM 787 CG1 VAL A 128 -0.924 8.692 -9.418 1.00 10.00 C ATOM 788 CG2 VAL A 128 0.382 6.728 -8.618 1.00 10.00 C ATOM 0 H VAL A 128 1.751 8.489 -6.425 1.00 10.00 H new ATOM 0 HA VAL A 128 1.904 8.743 -9.356 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.339 8.371 -7.382 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -1.834 8.098 -9.339 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.160 9.742 -9.243 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -0.500 8.576 -10.416 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -0.550 6.164 -8.581 1.00 10.00 H new ATOM 0 HG22 VAL A 128 0.842 6.605 -9.599 1.00 10.00 H new ATOM 0 HG23 VAL A 128 1.061 6.357 -7.850 1.00 10.00 H new ATOM 798 N ASP A 129 0.779 11.057 -7.257 1.00 10.00 N ATOM 799 CA ASP A 129 0.516 12.480 -7.100 1.00 10.00 C ATOM 800 C ASP A 129 1.850 13.235 -7.037 1.00 10.00 C ATOM 801 O ASP A 129 2.381 13.640 -8.072 1.00 10.00 O ATOM 802 CB ASP A 129 -0.381 12.686 -5.871 1.00 10.00 C ATOM 803 CG ASP A 129 -0.713 14.147 -5.598 1.00 10.00 C ATOM 804 OD1 ASP A 129 -0.468 14.979 -6.496 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.218 14.395 -4.483 1.00 10.00 O ATOM 0 H ASP A 129 0.646 10.516 -6.403 1.00 10.00 H new ATOM 0 HA ASP A 129 -0.026 12.888 -7.953 1.00 10.00 H new ATOM 0 HB2 ASP A 129 -1.309 12.131 -6.011 1.00 10.00 H new ATOM 0 HB3 ASP A 129 0.113 12.264 -4.996 1.00 10.00 H new ATOM 810 N GLN A 130 2.416 13.398 -5.836 1.00 10.00 N ATOM 811 CA GLN A 130 3.746 13.973 -5.656 1.00 10.00 C ATOM 812 C GLN A 130 4.266 13.706 -4.234 1.00 10.00 C ATOM 813 O GLN A 130 4.979 14.541 -3.680 1.00 10.00 O ATOM 814 CB GLN A 130 3.713 15.480 -6.003 1.00 10.00 C ATOM 815 CG GLN A 130 4.900 15.924 -6.872 1.00 10.00 C ATOM 816 CD GLN A 130 6.208 16.059 -6.099 1.00 10.00 C ATOM 817 OE1 GLN A 130 6.581 17.159 -5.700 1.00 10.00 O ATOM 818 NE2 GLN A 130 6.945 14.967 -5.915 1.00 10.00 N ATOM 0 H GLN A 130 1.961 13.133 -4.962 1.00 10.00 H new ATOM 0 HA GLN A 130 4.448 13.492 -6.338 1.00 10.00 H new ATOM 0 HB2 GLN A 130 2.783 15.706 -6.525 1.00 10.00 H new ATOM 0 HB3 GLN A 130 3.709 16.059 -5.080 1.00 10.00 H new ATOM 0 HG2 GLN A 130 5.038 15.204 -7.679 1.00 10.00 H new ATOM 0 HG3 GLN A 130 4.662 16.881 -7.336 1.00 10.00 H new ATOM 0 HE21 GLN A 130 6.613 14.065 -6.256 1.00 10.00 H new ATOM 0 HE22 GLN A 130 7.842 15.032 -5.433 1.00 10.00 H new ATOM 827 N ASP A 131 3.896 12.563 -3.640 1.00 10.00 N ATOM 828 CA ASP A 131 4.365 12.087 -2.337 1.00 10.00 C ATOM 829 C ASP A 131 3.807 10.665 -2.163 1.00 10.00 C ATOM 830 O ASP A 131 3.584 9.983 -3.158 1.00 10.00 O ATOM 831 CB ASP A 131 3.901 13.040 -1.210 1.00 10.00 C ATOM 832 CG ASP A 131 4.626 12.794 0.108 1.00 10.00 C ATOM 833 OD1 ASP A 131 5.735 13.340 0.277 1.00 10.00 O ATOM 834 OD2 ASP A 131 4.051 12.037 0.922 1.00 10.00 O ATOM 0 H ASP A 131 3.234 11.920 -4.075 1.00 10.00 H new ATOM 0 HA ASP A 131 5.454 12.069 -2.284 1.00 10.00 H new ATOM 0 HB2 ASP A 131 4.065 14.071 -1.522 1.00 10.00 H new ATOM 0 HB3 ASP A 131 2.828 12.920 -1.057 1.00 10.00 H new ATOM 839 N GLY A 132 3.400 10.247 -0.960 1.00 10.00 N ATOM 840 CA GLY A 132 2.933 8.899 -0.675 1.00 10.00 C ATOM 841 C GLY A 132 1.451 8.735 -0.989 1.00 10.00 C ATOM 842 O GLY A 132 0.684 8.234 -0.160 1.00 10.00 O ATOM 0 H GLY A 132 3.388 10.856 -0.142 1.00 10.00 H new ATOM 0 HA2 GLY A 132 3.510 8.183 -1.261 1.00 10.00 H new ATOM 0 HA3 GLY A 132 3.110 8.668 0.375 1.00 10.00 H new ATOM 846 N ARG A 133 1.067 9.167 -2.192 1.00 10.00 N ATOM 847 CA ARG A 133 -0.284 9.163 -2.716 1.00 10.00 C ATOM 848 C ARG A 133 -0.255 8.380 -4.029 1.00 10.00 C ATOM 849 O ARG A 133 0.416 8.766 -4.990 1.00 10.00 O ATOM 850 CB ARG A 133 -0.779 10.608 -2.893 1.00 10.00 C ATOM 851 CG ARG A 133 -1.657 11.076 -1.722 1.00 10.00 C ATOM 852 CD ARG A 133 -3.087 10.539 -1.883 1.00 10.00 C ATOM 853 NE ARG A 133 -4.014 11.048 -0.860 1.00 10.00 N ATOM 854 CZ ARG A 133 -4.337 10.441 0.295 1.00 10.00 C ATOM 855 NH1 ARG A 133 -3.691 9.347 0.699 1.00 10.00 N ATOM 856 NH2 ARG A 133 -5.314 10.933 1.053 1.00 10.00 N ATOM 0 H ARG A 133 1.737 9.550 -2.859 1.00 10.00 H new ATOM 0 HA ARG A 133 -0.986 8.683 -2.034 1.00 10.00 H new ATOM 0 HB2 ARG A 133 0.079 11.274 -2.988 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -1.346 10.684 -3.821 1.00 10.00 H new ATOM 0 HG2 ARG A 133 -1.234 10.728 -0.779 1.00 10.00 H new ATOM 0 HG3 ARG A 133 -1.672 12.165 -1.682 1.00 10.00 H new ATOM 0 HD2 ARG A 133 -3.461 10.810 -2.870 1.00 10.00 H new ATOM 0 HD3 ARG A 133 -3.067 9.450 -1.837 1.00 10.00 H new ATOM 0 HE ARG A 133 -4.454 11.949 -1.045 1.00 10.00 H new ATOM 0 HH11 ARG A 133 -2.939 8.959 0.129 1.00 10.00 H new ATOM 0 HH12 ARG A 133 -3.948 8.898 1.578 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -5.817 11.770 0.757 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -5.560 10.473 1.930 1.00 10.00 H new ATOM 870 N VAL A 134 -0.955 7.243 -4.013 1.00 10.00 N ATOM 871 CA VAL A 134 -1.008 6.237 -5.058 1.00 10.00 C ATOM 872 C VAL A 134 -2.451 5.796 -5.161 1.00 10.00 C ATOM 873 O VAL A 134 -3.050 5.542 -4.118 1.00 10.00 O ATOM 874 CB VAL A 134 -0.217 5.000 -4.624 1.00 10.00 C ATOM 875 CG1 VAL A 134 0.172 4.111 -5.807 1.00 10.00 C ATOM 876 CG2 VAL A 134 1.034 5.374 -3.853 1.00 10.00 C ATOM 0 H VAL A 134 -1.536 6.991 -3.213 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.609 6.641 -5.988 1.00 10.00 H new ATOM 0 HB VAL A 134 -0.886 4.437 -3.973 1.00 10.00 H new ATOM 0 HG11 VAL A 134 0.731 3.248 -5.445 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -0.729 3.772 -6.319 1.00 10.00 H new ATOM 0 HG13 VAL A 134 0.791 4.679 -6.501 1.00 10.00 H new ATOM 0 HG21 VAL A 134 1.567 4.469 -3.563 1.00 10.00 H new ATOM 0 HG22 VAL A 134 1.678 5.989 -4.481 1.00 10.00 H new ATOM 0 HG23 VAL A 134 0.757 5.934 -2.960 1.00 10.00 H new ATOM 886 N ASN A 135 -2.985 5.658 -6.375 1.00 10.00 N ATOM 887 CA ASN A 135 -4.291 5.055 -6.588 1.00 10.00 C ATOM 888 C ASN A 135 -4.345 3.690 -5.896 1.00 10.00 C ATOM 889 O ASN A 135 -3.588 2.795 -6.262 1.00 10.00 O ATOM 890 CB ASN A 135 -4.564 4.963 -8.091 1.00 10.00 C ATOM 891 CG ASN A 135 -5.889 4.284 -8.436 1.00 10.00 C ATOM 892 OD1 ASN A 135 -6.629 3.831 -7.562 1.00 10.00 O ATOM 893 ND2 ASN A 135 -6.184 4.189 -9.727 1.00 10.00 N ATOM 0 H ASN A 135 -2.523 5.961 -7.232 1.00 10.00 H new ATOM 0 HA ASN A 135 -5.076 5.670 -6.148 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -4.560 5.968 -8.514 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -3.751 4.414 -8.566 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -7.046 3.730 -10.021 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -5.549 4.575 -10.425 1.00 10.00 H new ATOM 900 N TYR A 136 -5.216 3.551 -4.889 1.00 10.00 N ATOM 901 CA TYR A 136 -5.405 2.341 -4.094 1.00 10.00 C ATOM 902 C TYR A 136 -5.435 1.088 -4.986 1.00 10.00 C ATOM 903 O TYR A 136 -4.743 0.110 -4.704 1.00 10.00 O ATOM 904 CB TYR A 136 -6.659 2.489 -3.217 1.00 10.00 C ATOM 905 CG TYR A 136 -7.497 1.241 -3.079 1.00 10.00 C ATOM 906 CD1 TYR A 136 -6.961 0.119 -2.426 1.00 10.00 C ATOM 907 CD2 TYR A 136 -8.749 1.153 -3.713 1.00 10.00 C ATOM 908 CE1 TYR A 136 -7.664 -1.095 -2.430 1.00 10.00 C ATOM 909 CE2 TYR A 136 -9.475 -0.047 -3.669 1.00 10.00 C ATOM 910 CZ TYR A 136 -8.947 -1.161 -2.993 1.00 10.00 C ATOM 911 OH TYR A 136 -9.641 -2.335 -2.956 1.00 10.00 O ATOM 0 H TYR A 136 -5.831 4.311 -4.598 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.554 2.208 -3.426 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -6.351 2.813 -2.223 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -7.282 3.282 -3.632 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -6.009 0.191 -1.921 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -9.152 2.009 -4.234 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -7.217 -1.979 -1.999 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -10.438 -0.115 -4.154 1.00 10.00 H new ATOM 0 HH TYR A 136 -10.513 -2.214 -3.387 1.00 10.00 H new ATOM 921 N GLU A 137 -6.234 1.107 -6.060 1.00 10.00 N ATOM 922 CA GLU A 137 -6.387 -0.055 -6.927 1.00 10.00 C ATOM 923 C GLU A 137 -5.091 -0.273 -7.714 1.00 10.00 C ATOM 924 O GLU A 137 -4.415 -1.287 -7.560 1.00 10.00 O ATOM 925 CB GLU A 137 -7.630 0.129 -7.814 1.00 10.00 C ATOM 926 CG GLU A 137 -7.953 -1.108 -8.671 1.00 10.00 C ATOM 927 CD GLU A 137 -7.049 -1.240 -9.892 1.00 10.00 C ATOM 928 OE1 GLU A 137 -6.969 -0.243 -10.638 1.00 10.00 O ATOM 929 OE2 GLU A 137 -6.446 -2.323 -10.051 1.00 10.00 O ATOM 0 H GLU A 137 -6.783 1.918 -6.345 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.554 -0.962 -6.346 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.488 0.359 -7.182 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -7.477 0.987 -8.469 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -7.858 -2.003 -8.057 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -8.991 -1.055 -8.999 1.00 10.00 H new ATOM 936 N GLU A 138 -4.729 0.717 -8.528 1.00 10.00 N ATOM 937 CA GLU A 138 -3.573 0.693 -9.421 1.00 10.00 C ATOM 938 C GLU A 138 -2.302 0.259 -8.677 1.00 10.00 C ATOM 939 O GLU A 138 -1.501 -0.512 -9.201 1.00 10.00 O ATOM 940 CB GLU A 138 -3.428 2.083 -10.058 1.00 10.00 C ATOM 941 CG GLU A 138 -3.173 2.114 -11.570 1.00 10.00 C ATOM 942 CD GLU A 138 -3.473 3.493 -12.164 1.00 10.00 C ATOM 943 OE1 GLU A 138 -4.084 4.324 -11.448 1.00 10.00 O ATOM 944 OE2 GLU A 138 -3.096 3.686 -13.338 1.00 10.00 O ATOM 0 H GLU A 138 -5.253 1.590 -8.585 1.00 10.00 H new ATOM 0 HA GLU A 138 -3.724 -0.045 -10.208 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -4.336 2.650 -9.852 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -2.608 2.603 -9.562 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -2.135 1.849 -11.770 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -3.793 1.363 -12.060 1.00 10.00 H new ATOM 951 N PHE A 139 -2.133 0.712 -7.431 1.00 10.00 N ATOM 952 CA PHE A 139 -1.086 0.240 -6.532 1.00 10.00 C ATOM 953 C PHE A 139 -0.959 -1.279 -6.585 1.00 10.00 C ATOM 954 O PHE A 139 0.127 -1.836 -6.760 1.00 10.00 O ATOM 955 CB PHE A 139 -1.373 0.710 -5.093 1.00 10.00 C ATOM 956 CG PHE A 139 -0.284 0.367 -4.091 1.00 10.00 C ATOM 957 CD1 PHE A 139 0.037 -0.973 -3.823 1.00 10.00 C ATOM 958 CD2 PHE A 139 0.459 1.383 -3.467 1.00 10.00 C ATOM 959 CE1 PHE A 139 1.182 -1.293 -3.086 1.00 10.00 C ATOM 960 CE2 PHE A 139 1.595 1.065 -2.706 1.00 10.00 C ATOM 961 CZ PHE A 139 1.935 -0.277 -2.480 1.00 10.00 C ATOM 0 H PHE A 139 -2.731 1.427 -7.017 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.137 0.665 -6.859 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -1.517 1.790 -5.099 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.310 0.265 -4.759 1.00 10.00 H new ATOM 0 HD1 PHE A 139 -0.604 -1.762 -4.188 1.00 10.00 H new ATOM 0 HD2 PHE A 139 0.155 2.414 -3.573 1.00 10.00 H new ATOM 0 HE1 PHE A 139 1.487 -2.324 -2.984 1.00 10.00 H new ATOM 0 HE2 PHE A 139 2.207 1.854 -2.294 1.00 10.00 H new ATOM 0 HZ PHE A 139 2.771 -0.526 -1.843 1.00 10.00 H new ATOM 971 N ALA A 140 -2.080 -1.958 -6.365 1.00 10.00 N ATOM 972 CA ALA A 140 -2.128 -3.400 -6.289 1.00 10.00 C ATOM 973 C ALA A 140 -1.665 -4.001 -7.611 1.00 10.00 C ATOM 974 O ALA A 140 -0.918 -4.978 -7.621 1.00 10.00 O ATOM 975 CB ALA A 140 -3.551 -3.812 -5.937 1.00 10.00 C ATOM 0 H ALA A 140 -2.987 -1.510 -6.234 1.00 10.00 H new ATOM 0 HA ALA A 140 -1.457 -3.774 -5.516 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -3.610 -4.899 -5.874 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -3.829 -3.377 -4.977 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.234 -3.455 -6.708 1.00 10.00 H new ATOM 981 N ARG A 141 -2.076 -3.380 -8.720 1.00 10.00 N ATOM 982 CA ARG A 141 -1.573 -3.688 -10.049 1.00 10.00 C ATOM 983 C ARG A 141 -0.041 -3.631 -10.052 1.00 10.00 C ATOM 984 O ARG A 141 0.610 -4.569 -10.507 1.00 10.00 O ATOM 985 CB ARG A 141 -2.163 -2.696 -11.063 1.00 10.00 C ATOM 986 CG ARG A 141 -2.405 -3.322 -12.441 1.00 10.00 C ATOM 987 CD ARG A 141 -3.803 -3.951 -12.550 1.00 10.00 C ATOM 988 NE ARG A 141 -4.018 -4.463 -13.913 1.00 10.00 N ATOM 989 CZ ARG A 141 -3.454 -5.579 -14.402 1.00 10.00 C ATOM 990 NH1 ARG A 141 -3.061 -6.565 -13.594 1.00 10.00 N ATOM 991 NH2 ARG A 141 -3.254 -5.717 -15.713 1.00 10.00 N ATOM 0 H ARG A 141 -2.778 -2.640 -8.713 1.00 10.00 H new ATOM 0 HA ARG A 141 -1.876 -4.696 -10.333 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -3.105 -2.307 -10.676 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -1.487 -1.848 -11.169 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -2.290 -2.559 -13.211 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -1.649 -4.084 -12.631 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -3.904 -4.761 -11.828 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -4.564 -3.210 -12.306 1.00 10.00 H new ATOM 0 HE ARG A 141 -4.637 -3.934 -14.528 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -3.187 -6.479 -12.585 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -2.635 -7.405 -13.985 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -3.530 -4.972 -16.352 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -2.825 -6.568 -16.077 1.00 10.00 H new ATOM 1005 N MET A 142 0.542 -2.544 -9.532 1.00 10.00 N ATOM 1006 CA MET A 142 1.993 -2.409 -9.492 1.00 10.00 C ATOM 1007 C MET A 142 2.635 -3.518 -8.654 1.00 10.00 C ATOM 1008 O MET A 142 3.513 -4.207 -9.166 1.00 10.00 O ATOM 1009 CB MET A 142 2.468 -1.038 -9.006 1.00 10.00 C ATOM 1010 CG MET A 142 1.871 0.167 -9.743 1.00 10.00 C ATOM 1011 SD MET A 142 2.062 0.190 -11.542 1.00 10.00 S ATOM 1012 CE MET A 142 1.307 1.791 -11.903 1.00 10.00 C ATOM 0 H MET A 142 0.031 -1.754 -9.137 1.00 10.00 H new ATOM 0 HA MET A 142 2.321 -2.507 -10.527 1.00 10.00 H new ATOM 0 HB2 MET A 142 2.233 -0.946 -7.946 1.00 10.00 H new ATOM 0 HB3 MET A 142 3.553 -0.996 -9.096 1.00 10.00 H new ATOM 0 HG2 MET A 142 0.807 0.215 -9.512 1.00 10.00 H new ATOM 0 HG3 MET A 142 2.325 1.072 -9.340 1.00 10.00 H new ATOM 0 HE1 MET A 142 1.337 1.974 -12.977 1.00 10.00 H new ATOM 0 HE2 MET A 142 0.271 1.789 -11.564 1.00 10.00 H new ATOM 0 HE3 MET A 142 1.857 2.577 -11.386 1.00 10.00 H new ATOM 1022 N LEU A 143 2.223 -3.727 -7.392 1.00 10.00 N ATOM 1023 CA LEU A 143 2.818 -4.777 -6.583 1.00 10.00 C ATOM 1024 C LEU A 143 2.646 -6.145 -7.274 1.00 10.00 C ATOM 1025 O LEU A 143 3.565 -6.959 -7.285 1.00 10.00 O ATOM 1026 CB LEU A 143 2.271 -4.737 -5.138 1.00 10.00 C ATOM 1027 CG LEU A 143 3.368 -5.070 -4.119 1.00 10.00 C ATOM 1028 CD1 LEU A 143 2.791 -5.173 -2.717 1.00 10.00 C ATOM 1029 CD2 LEU A 143 3.995 -6.421 -4.394 1.00 10.00 C ATOM 0 H LEU A 143 1.493 -3.188 -6.926 1.00 10.00 H new ATOM 0 HA LEU A 143 3.891 -4.607 -6.497 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.864 -3.748 -4.928 1.00 10.00 H new ATOM 0 HB3 LEU A 143 1.450 -5.447 -5.037 1.00 10.00 H new ATOM 0 HG LEU A 143 4.103 -4.269 -4.202 1.00 10.00 H new ATOM 0 HD11 LEU A 143 3.588 -5.410 -2.012 1.00 10.00 H new ATOM 0 HD12 LEU A 143 2.333 -4.223 -2.441 1.00 10.00 H new ATOM 0 HD13 LEU A 143 2.037 -5.960 -2.691 1.00 10.00 H new ATOM 0 HD21 LEU A 143 4.767 -6.622 -3.652 1.00 10.00 H new ATOM 0 HD22 LEU A 143 3.230 -7.195 -4.340 1.00 10.00 H new ATOM 0 HD23 LEU A 143 4.440 -6.420 -5.389 1.00 10.00 H new ATOM 1041 N ALA A 144 1.488 -6.404 -7.893 1.00 10.00 N ATOM 1042 CA ALA A 144 1.305 -7.602 -8.709 1.00 10.00 C ATOM 1043 C ALA A 144 2.326 -7.667 -9.847 1.00 10.00 C ATOM 1044 O ALA A 144 2.822 -8.747 -10.163 1.00 10.00 O ATOM 1045 CB ALA A 144 -0.106 -7.649 -9.300 1.00 10.00 C ATOM 0 H ALA A 144 0.668 -5.800 -7.842 1.00 10.00 H new ATOM 0 HA ALA A 144 1.454 -8.460 -8.053 1.00 10.00 H new ATOM 0 HB1 ALA A 144 -0.218 -8.550 -9.903 1.00 10.00 H new ATOM 0 HB2 ALA A 144 -0.838 -7.660 -8.493 1.00 10.00 H new ATOM 0 HB3 ALA A 144 -0.268 -6.771 -9.925 1.00 10.00 H new ATOM 1051 N GLN A 145 2.584 -6.517 -10.477 1.00 10.00 N ATOM 1052 CA GLN A 145 3.355 -6.356 -11.697 1.00 10.00 C ATOM 1053 C GLN A 145 2.739 -7.262 -12.770 1.00 10.00 C ATOM 1054 O GLN A 145 3.343 -8.246 -13.195 1.00 10.00 O ATOM 1055 CB GLN A 145 4.849 -6.613 -11.439 1.00 10.00 C ATOM 1056 CG GLN A 145 5.698 -6.204 -12.652 1.00 10.00 C ATOM 1057 CD GLN A 145 7.190 -6.275 -12.355 1.00 10.00 C ATOM 1058 OE1 GLN A 145 7.877 -5.260 -12.322 1.00 10.00 O ATOM 1059 NE2 GLN A 145 7.720 -7.479 -12.156 1.00 10.00 N ATOM 0 H GLN A 145 2.237 -5.626 -10.122 1.00 10.00 H new ATOM 0 HA GLN A 145 3.309 -5.330 -12.061 1.00 10.00 H new ATOM 0 HB2 GLN A 145 5.171 -6.054 -10.561 1.00 10.00 H new ATOM 0 HB3 GLN A 145 5.007 -7.669 -11.220 1.00 10.00 H new ATOM 0 HG2 GLN A 145 5.465 -6.856 -13.494 1.00 10.00 H new ATOM 0 HG3 GLN A 145 5.436 -5.189 -12.952 1.00 10.00 H new ATOM 0 HE21 GLN A 145 7.128 -8.309 -12.188 1.00 10.00 H new ATOM 0 HE22 GLN A 145 8.719 -7.572 -11.971 1.00 10.00 H new ATOM 1068 N GLU A 146 1.505 -6.944 -13.160 1.00 10.00 N ATOM 1069 CA GLU A 146 0.628 -7.781 -13.958 1.00 10.00 C ATOM 1070 C GLU A 146 -0.329 -6.825 -14.682 1.00 10.00 C ATOM 1071 O GLU A 146 -0.257 -5.610 -14.394 1.00 10.00 O ATOM 1072 CB GLU A 146 -0.136 -8.704 -12.993 1.00 10.00 C ATOM 1073 CG GLU A 146 -0.831 -9.900 -13.658 1.00 10.00 C ATOM 1074 CD GLU A 146 -1.980 -10.377 -12.788 1.00 10.00 C ATOM 1075 OE1 GLU A 146 -3.082 -9.811 -12.928 1.00 10.00 O ATOM 1076 OE2 GLU A 146 -1.722 -11.249 -11.926 1.00 10.00 O ATOM 1077 OXT GLU A 146 -1.223 -7.311 -15.415 1.00 10.00 O ATOM 0 H GLU A 146 1.075 -6.052 -12.913 1.00 10.00 H new ATOM 0 HA GLU A 146 1.159 -8.398 -14.683 1.00 10.00 H new ATOM 0 HB2 GLU A 146 0.561 -9.078 -12.243 1.00 10.00 H new ATOM 0 HB3 GLU A 146 -0.885 -8.114 -12.466 1.00 10.00 H new ATOM 0 HG2 GLU A 146 -1.202 -9.615 -14.642 1.00 10.00 H new ATOM 0 HG3 GLU A 146 -0.117 -10.709 -13.809 1.00 10.00 H new TER 1084 GLU A 146