USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 472 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= 1.04 K(o=2.2,f=1.1) USER MOD Set 1.2: A 136 TYR OH : rot -88:sc= 1.18 USER MOD Single : A 97 HIS : no HE2:sc= -0.942 K(o=-0.94,f=-2.9) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 147:sc= -0.822 (180deg=-2.09) USER MOD Single : A 112 GLN : amide:sc= 1.2 K(o=1.2,f=-0.61) USER MOD Single : A 116 GLN : amide:sc= 0.0768 X(o=0.077,f=-0.032) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 ASN : amide:sc= 1.22 K(o=1.2,f=-0.28) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 -0.467 -14.301 -1.804 1.00 10.00 N ATOM 38 CA ALA A 78 0.186 -13.137 -1.259 1.00 10.00 C ATOM 39 C ALA A 78 0.981 -12.427 -2.338 1.00 10.00 C ATOM 40 O ALA A 78 1.003 -12.834 -3.502 1.00 10.00 O ATOM 41 CB ALA A 78 1.082 -13.552 -0.102 1.00 10.00 C ATOM 0 HA ALA A 78 -0.565 -12.441 -0.885 1.00 10.00 H new ATOM 0 HB1 ALA A 78 1.576 -12.672 0.310 1.00 10.00 H new ATOM 0 HB2 ALA A 78 0.480 -14.026 0.673 1.00 10.00 H new ATOM 0 HB3 ALA A 78 1.834 -14.256 -0.458 1.00 10.00 H new ATOM 47 N GLY A 79 1.554 -11.288 -1.965 1.00 10.00 N ATOM 48 CA GLY A 79 1.462 -10.182 -2.879 1.00 10.00 C ATOM 49 C GLY A 79 -0.032 -9.899 -2.992 1.00 10.00 C ATOM 50 O GLY A 79 -0.627 -9.363 -2.075 1.00 10.00 O ATOM 0 H GLY A 79 2.054 -11.120 -1.092 1.00 10.00 H new ATOM 0 HA2 GLY A 79 2.003 -9.313 -2.505 1.00 10.00 H new ATOM 0 HA3 GLY A 79 1.892 -10.432 -3.849 1.00 10.00 H new ATOM 54 N LEU A 80 -0.677 -10.282 -4.083 1.00 10.00 N ATOM 55 CA LEU A 80 -1.880 -9.582 -4.499 1.00 10.00 C ATOM 56 C LEU A 80 -3.084 -9.690 -3.558 1.00 10.00 C ATOM 57 O LEU A 80 -3.665 -8.665 -3.204 1.00 10.00 O ATOM 58 CB LEU A 80 -2.151 -9.951 -5.953 1.00 10.00 C ATOM 59 CG LEU A 80 -3.080 -8.939 -6.626 1.00 10.00 C ATOM 60 CD1 LEU A 80 -2.480 -8.512 -7.969 1.00 10.00 C ATOM 61 CD2 LEU A 80 -4.416 -9.624 -6.861 1.00 10.00 C ATOM 0 H LEU A 80 -0.395 -11.056 -4.684 1.00 10.00 H new ATOM 0 HA LEU A 80 -1.697 -8.510 -4.427 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -1.209 -10.000 -6.499 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -2.598 -10.944 -6.000 1.00 10.00 H new ATOM 0 HG LEU A 80 -3.207 -8.056 -5.999 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -3.141 -7.791 -8.450 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -1.504 -8.056 -7.803 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -2.367 -9.385 -8.611 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.103 -8.927 -7.341 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -4.272 -10.492 -7.504 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -4.833 -9.945 -5.907 1.00 10.00 H new ATOM 73 N GLU A 81 -3.450 -10.895 -3.125 1.00 10.00 N ATOM 74 CA GLU A 81 -4.536 -11.085 -2.168 1.00 10.00 C ATOM 75 C GLU A 81 -4.202 -10.305 -0.890 1.00 10.00 C ATOM 76 O GLU A 81 -4.986 -9.480 -0.415 1.00 10.00 O ATOM 77 CB GLU A 81 -4.690 -12.592 -1.902 1.00 10.00 C ATOM 78 CG GLU A 81 -6.107 -13.026 -1.505 1.00 10.00 C ATOM 79 CD GLU A 81 -6.919 -13.450 -2.724 1.00 10.00 C ATOM 80 OE1 GLU A 81 -6.457 -14.396 -3.403 1.00 10.00 O ATOM 81 OE2 GLU A 81 -7.985 -12.846 -2.953 1.00 10.00 O ATOM 0 H GLU A 81 -3.005 -11.762 -3.426 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.484 -10.710 -2.554 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.394 -13.138 -2.797 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -4.000 -12.881 -1.109 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -6.051 -13.853 -0.797 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -6.612 -12.205 -0.997 1.00 10.00 H new ATOM 88 N ASP A 82 -2.986 -10.539 -0.384 1.00 10.00 N ATOM 89 CA ASP A 82 -2.427 -9.881 0.788 1.00 10.00 C ATOM 90 C ASP A 82 -2.563 -8.378 0.669 1.00 10.00 C ATOM 91 O ASP A 82 -2.970 -7.712 1.612 1.00 10.00 O ATOM 92 CB ASP A 82 -0.974 -10.316 1.028 1.00 10.00 C ATOM 93 CG ASP A 82 -0.859 -11.654 1.743 1.00 10.00 C ATOM 94 OD1 ASP A 82 -1.644 -12.561 1.391 1.00 10.00 O ATOM 95 OD2 ASP A 82 0.050 -11.759 2.592 1.00 10.00 O ATOM 0 H ASP A 82 -2.347 -11.217 -0.799 1.00 10.00 H new ATOM 0 HA ASP A 82 -2.996 -10.191 1.664 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -0.457 -10.378 0.070 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -0.465 -9.552 1.616 1.00 10.00 H new ATOM 100 N LEU A 83 -2.211 -7.838 -0.487 1.00 10.00 N ATOM 101 CA LEU A 83 -2.161 -6.418 -0.721 1.00 10.00 C ATOM 102 C LEU A 83 -3.570 -5.842 -0.836 1.00 10.00 C ATOM 103 O LEU A 83 -3.854 -4.817 -0.234 1.00 10.00 O ATOM 104 CB LEU A 83 -1.262 -6.129 -1.917 1.00 10.00 C ATOM 105 CG LEU A 83 0.210 -6.570 -1.732 1.00 10.00 C ATOM 106 CD1 LEU A 83 1.136 -5.417 -2.036 1.00 10.00 C ATOM 107 CD2 LEU A 83 0.671 -7.053 -0.352 1.00 10.00 C ATOM 0 H LEU A 83 -1.948 -8.393 -1.301 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.712 -5.906 0.130 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -1.671 -6.631 -2.794 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -1.285 -5.059 -2.123 1.00 10.00 H new ATOM 0 HG LEU A 83 0.253 -7.425 -2.407 1.00 10.00 H new ATOM 0 HD11 LEU A 83 2.170 -5.736 -1.903 1.00 10.00 H new ATOM 0 HD12 LEU A 83 0.986 -5.091 -3.065 1.00 10.00 H new ATOM 0 HD13 LEU A 83 0.922 -4.590 -1.359 1.00 10.00 H new ATOM 0 HD21 LEU A 83 1.726 -7.323 -0.395 1.00 10.00 H new ATOM 0 HD22 LEU A 83 0.530 -6.256 0.378 1.00 10.00 H new ATOM 0 HD23 LEU A 83 0.085 -7.923 -0.057 1.00 10.00 H new ATOM 119 N GLN A 84 -4.482 -6.490 -1.560 1.00 10.00 N ATOM 120 CA GLN A 84 -5.878 -6.058 -1.605 1.00 10.00 C ATOM 121 C GLN A 84 -6.467 -6.028 -0.187 1.00 10.00 C ATOM 122 O GLN A 84 -7.139 -5.068 0.197 1.00 10.00 O ATOM 123 CB GLN A 84 -6.647 -6.997 -2.546 1.00 10.00 C ATOM 124 CG GLN A 84 -7.988 -6.428 -3.025 1.00 10.00 C ATOM 125 CD GLN A 84 -7.845 -5.534 -4.256 1.00 10.00 C ATOM 126 OE1 GLN A 84 -8.029 -5.996 -5.377 1.00 10.00 O ATOM 127 NE2 GLN A 84 -7.535 -4.258 -4.057 1.00 10.00 N ATOM 0 H GLN A 84 -4.279 -7.316 -2.123 1.00 10.00 H new ATOM 0 HA GLN A 84 -5.959 -5.043 -1.995 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -6.025 -7.216 -3.414 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -6.826 -7.943 -2.035 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -8.665 -7.250 -3.255 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -8.444 -5.856 -2.217 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -7.389 -3.910 -3.109 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -7.443 -3.626 -4.852 1.00 10.00 H new ATOM 136 N VAL A 85 -6.188 -7.051 0.621 1.00 10.00 N ATOM 137 CA VAL A 85 -6.584 -7.092 2.004 1.00 10.00 C ATOM 138 C VAL A 85 -5.873 -5.976 2.790 1.00 10.00 C ATOM 139 O VAL A 85 -6.507 -5.303 3.601 1.00 10.00 O ATOM 140 CB VAL A 85 -6.285 -8.518 2.481 1.00 10.00 C ATOM 141 CG1 VAL A 85 -6.311 -8.602 3.993 1.00 10.00 C ATOM 142 CG2 VAL A 85 -7.305 -9.502 1.889 1.00 10.00 C ATOM 0 H VAL A 85 -5.674 -7.878 0.317 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.644 -6.891 2.162 1.00 10.00 H new ATOM 0 HB VAL A 85 -5.286 -8.785 2.137 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -6.096 -9.624 4.304 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -5.559 -7.930 4.408 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -7.297 -8.312 4.357 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -7.081 -10.511 2.236 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -8.309 -9.223 2.210 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -7.250 -9.472 0.801 1.00 10.00 H new ATOM 152 N ALA A 86 -4.576 -5.761 2.540 1.00 10.00 N ATOM 153 CA ALA A 86 -3.771 -4.721 3.170 1.00 10.00 C ATOM 154 C ALA A 86 -4.470 -3.379 2.980 1.00 10.00 C ATOM 155 O ALA A 86 -4.878 -2.724 3.938 1.00 10.00 O ATOM 156 CB ALA A 86 -2.341 -4.682 2.588 1.00 10.00 C ATOM 0 H ALA A 86 -4.047 -6.325 1.874 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.675 -4.940 4.233 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.769 -3.895 3.080 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.854 -5.643 2.754 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.389 -4.480 1.518 1.00 10.00 H new ATOM 162 N PHE A 87 -4.646 -3.012 1.713 1.00 10.00 N ATOM 163 CA PHE A 87 -5.417 -1.875 1.266 1.00 10.00 C ATOM 164 C PHE A 87 -6.708 -1.738 2.056 1.00 10.00 C ATOM 165 O PHE A 87 -6.951 -0.699 2.659 1.00 10.00 O ATOM 166 CB PHE A 87 -5.729 -2.046 -0.229 1.00 10.00 C ATOM 167 CG PHE A 87 -4.623 -1.624 -1.163 1.00 10.00 C ATOM 168 CD1 PHE A 87 -3.963 -0.425 -0.883 1.00 10.00 C ATOM 169 CD2 PHE A 87 -4.028 -2.536 -2.050 1.00 10.00 C ATOM 170 CE1 PHE A 87 -2.578 -0.353 -1.066 1.00 10.00 C ATOM 171 CE2 PHE A 87 -2.653 -2.432 -2.312 1.00 10.00 C ATOM 172 CZ PHE A 87 -1.910 -1.412 -1.699 1.00 10.00 C ATOM 0 H PHE A 87 -4.231 -3.531 0.939 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.835 -0.968 1.427 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -5.964 -3.093 -0.418 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -6.624 -1.471 -0.466 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -4.514 0.434 -0.530 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.620 -3.306 -2.523 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -2.028 0.511 -0.723 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -2.171 -3.131 -2.980 1.00 10.00 H new ATOM 0 HZ PHE A 87 -0.831 -1.442 -1.714 1.00 10.00 H new ATOM 182 N ARG A 88 -7.525 -2.791 2.055 1.00 10.00 N ATOM 183 CA ARG A 88 -8.827 -2.765 2.696 1.00 10.00 C ATOM 184 C ARG A 88 -8.757 -2.433 4.198 1.00 10.00 C ATOM 185 O ARG A 88 -9.771 -2.039 4.770 1.00 10.00 O ATOM 186 CB ARG A 88 -9.545 -4.088 2.384 1.00 10.00 C ATOM 187 CG ARG A 88 -11.021 -4.097 2.801 1.00 10.00 C ATOM 188 CD ARG A 88 -11.222 -4.846 4.122 1.00 10.00 C ATOM 189 NE ARG A 88 -12.625 -4.769 4.553 1.00 10.00 N ATOM 190 CZ ARG A 88 -13.137 -5.433 5.598 1.00 10.00 C ATOM 191 NH1 ARG A 88 -12.343 -6.217 6.338 1.00 10.00 N ATOM 192 NH2 ARG A 88 -14.436 -5.317 5.896 1.00 10.00 N ATOM 0 H ARG A 88 -7.298 -3.680 1.610 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.416 -1.944 2.286 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -9.477 -4.286 1.314 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -9.027 -4.902 2.892 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -11.378 -3.072 2.904 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -11.619 -4.566 2.020 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -10.929 -5.889 4.003 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -10.576 -4.420 4.890 1.00 10.00 H new ATOM 0 HE ARG A 88 -13.253 -4.168 4.019 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -11.354 -6.306 6.105 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -12.727 -6.725 7.135 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -15.039 -4.722 5.327 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -14.824 -5.823 6.692 1.00 10.00 H new ATOM 206 N ALA A 89 -7.603 -2.578 4.862 1.00 10.00 N ATOM 207 CA ALA A 89 -7.473 -2.188 6.263 1.00 10.00 C ATOM 208 C ALA A 89 -7.612 -0.667 6.433 1.00 10.00 C ATOM 209 O ALA A 89 -8.476 -0.212 7.179 1.00 10.00 O ATOM 210 CB ALA A 89 -6.160 -2.718 6.848 1.00 10.00 C ATOM 0 H ALA A 89 -6.752 -2.961 4.450 1.00 10.00 H new ATOM 0 HA ALA A 89 -8.289 -2.642 6.826 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -6.080 -2.418 7.893 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -6.145 -3.806 6.781 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -5.320 -2.308 6.287 1.00 10.00 H new ATOM 216 N PHE A 90 -6.768 0.117 5.753 1.00 10.00 N ATOM 217 CA PHE A 90 -6.796 1.580 5.772 1.00 10.00 C ATOM 218 C PHE A 90 -7.100 2.101 4.382 1.00 10.00 C ATOM 219 O PHE A 90 -6.359 2.926 3.844 1.00 10.00 O ATOM 220 CB PHE A 90 -5.478 2.137 6.268 1.00 10.00 C ATOM 221 CG PHE A 90 -5.015 1.476 7.541 1.00 10.00 C ATOM 222 CD1 PHE A 90 -4.264 0.306 7.431 1.00 10.00 C ATOM 223 CD2 PHE A 90 -5.372 1.970 8.806 1.00 10.00 C ATOM 224 CE1 PHE A 90 -3.910 -0.409 8.571 1.00 10.00 C ATOM 225 CE2 PHE A 90 -4.997 1.259 9.960 1.00 10.00 C ATOM 226 CZ PHE A 90 -4.278 0.056 9.845 1.00 10.00 C ATOM 0 H PHE A 90 -6.029 -0.260 5.160 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.578 1.907 6.457 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.719 2.006 5.497 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.580 3.209 6.435 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -3.956 -0.046 6.458 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -5.931 2.890 8.892 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -3.349 -1.327 8.476 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -5.262 1.638 10.936 1.00 10.00 H new ATOM 0 HZ PHE A 90 -4.011 -0.506 10.728 1.00 10.00 H new ATOM 236 N ASP A 91 -8.207 1.640 3.808 1.00 10.00 N ATOM 237 CA ASP A 91 -8.776 2.349 2.693 1.00 10.00 C ATOM 238 C ASP A 91 -9.216 3.696 3.276 1.00 10.00 C ATOM 239 O ASP A 91 -9.990 3.748 4.231 1.00 10.00 O ATOM 240 CB ASP A 91 -9.870 1.500 2.027 1.00 10.00 C ATOM 241 CG ASP A 91 -11.286 1.921 2.384 1.00 10.00 C ATOM 242 OD1 ASP A 91 -11.646 3.036 1.950 1.00 10.00 O ATOM 243 OD2 ASP A 91 -11.973 1.112 3.043 1.00 10.00 O ATOM 0 H ASP A 91 -8.709 0.800 4.095 1.00 10.00 H new ATOM 0 HA ASP A 91 -8.088 2.539 1.869 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -9.748 1.554 0.945 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -9.730 0.457 2.312 1.00 10.00 H new ATOM 296 N GLY A 96 -10.323 6.342 -4.413 1.00 10.00 N ATOM 297 CA GLY A 96 -9.343 7.362 -4.135 1.00 10.00 C ATOM 298 C GLY A 96 -7.975 6.765 -3.810 1.00 10.00 C ATOM 299 O GLY A 96 -7.358 6.117 -4.654 1.00 10.00 O ATOM 0 HA2 GLY A 96 -9.255 8.025 -4.996 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -9.681 7.972 -3.297 1.00 10.00 H new ATOM 303 N HIS A 97 -7.467 7.032 -2.603 1.00 10.00 N ATOM 304 CA HIS A 97 -6.039 7.112 -2.316 1.00 10.00 C ATOM 305 C HIS A 97 -5.740 6.508 -0.943 1.00 10.00 C ATOM 306 O HIS A 97 -6.487 6.757 -0.001 1.00 10.00 O ATOM 307 CB HIS A 97 -5.670 8.604 -2.366 1.00 10.00 C ATOM 308 CG HIS A 97 -4.378 8.995 -1.699 1.00 10.00 C ATOM 309 ND1 HIS A 97 -4.258 9.639 -0.489 1.00 10.00 N ATOM 310 CD2 HIS A 97 -3.134 8.932 -2.258 1.00 10.00 C ATOM 311 CE1 HIS A 97 -2.962 9.961 -0.331 1.00 10.00 C ATOM 312 NE2 HIS A 97 -2.241 9.576 -1.399 1.00 10.00 N ATOM 0 H HIS A 97 -8.052 7.201 -1.785 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.450 6.548 -3.040 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -5.621 8.909 -3.411 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -6.478 9.172 -1.905 1.00 10.00 H new ATOM 0 HD1 HIS A 97 -5.013 9.836 0.168 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -2.884 8.466 -3.200 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -2.555 10.461 0.536 1.00 10.00 H new ATOM 320 N ILE A 98 -4.646 5.748 -0.815 1.00 10.00 N ATOM 321 CA ILE A 98 -4.193 5.277 0.496 1.00 10.00 C ATOM 322 C ILE A 98 -3.380 6.334 1.234 1.00 10.00 C ATOM 323 O ILE A 98 -2.845 7.269 0.649 1.00 10.00 O ATOM 324 CB ILE A 98 -3.295 4.031 0.431 1.00 10.00 C ATOM 325 CG1 ILE A 98 -2.099 4.134 -0.516 1.00 10.00 C ATOM 326 CG2 ILE A 98 -4.006 2.730 0.143 1.00 10.00 C ATOM 327 CD1 ILE A 98 -0.832 4.520 0.229 1.00 10.00 C ATOM 0 H ILE A 98 -4.063 5.449 -1.597 1.00 10.00 H new ATOM 0 HA ILE A 98 -5.122 5.042 1.016 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.930 4.009 1.458 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -1.949 3.179 -1.020 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -2.308 4.874 -1.289 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -3.281 1.917 0.119 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -4.742 2.537 0.923 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.509 2.796 -0.822 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -0.002 4.584 -0.474 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -0.974 5.487 0.712 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -0.610 3.766 0.984 1.00 10.00 H new ATOM 339 N THR A 99 -3.181 6.081 2.524 1.00 10.00 N ATOM 340 CA THR A 99 -2.162 6.682 3.349 1.00 10.00 C ATOM 341 C THR A 99 -1.017 5.671 3.422 1.00 10.00 C ATOM 342 O THR A 99 -1.147 4.609 4.023 1.00 10.00 O ATOM 343 CB THR A 99 -2.891 7.049 4.642 1.00 10.00 C ATOM 344 OG1 THR A 99 -3.595 8.256 4.414 1.00 10.00 O ATOM 345 CG2 THR A 99 -1.982 7.194 5.840 1.00 10.00 C ATOM 0 H THR A 99 -3.760 5.417 3.039 1.00 10.00 H new ATOM 0 HA THR A 99 -1.687 7.598 2.998 1.00 10.00 H new ATOM 0 HB THR A 99 -3.564 6.228 4.890 1.00 10.00 H new ATOM 0 HG1 THR A 99 -4.074 8.514 5.229 1.00 10.00 H new ATOM 0 HG21 THR A 99 -2.575 7.455 6.717 1.00 10.00 H new ATOM 0 HG22 THR A 99 -1.464 6.252 6.020 1.00 10.00 H new ATOM 0 HG23 THR A 99 -1.251 7.980 5.649 1.00 10.00 H new ATOM 353 N VAL A 100 0.104 5.996 2.764 1.00 10.00 N ATOM 354 CA VAL A 100 1.300 5.162 2.622 1.00 10.00 C ATOM 355 C VAL A 100 1.692 4.562 3.976 1.00 10.00 C ATOM 356 O VAL A 100 2.093 3.401 4.086 1.00 10.00 O ATOM 357 CB VAL A 100 2.427 6.026 2.037 1.00 10.00 C ATOM 358 CG1 VAL A 100 3.745 5.256 1.971 1.00 10.00 C ATOM 359 CG2 VAL A 100 2.106 6.464 0.602 1.00 10.00 C ATOM 0 H VAL A 100 0.204 6.895 2.293 1.00 10.00 H new ATOM 0 HA VAL A 100 1.105 4.329 1.947 1.00 10.00 H new ATOM 0 HB VAL A 100 2.516 6.889 2.697 1.00 10.00 H new ATOM 0 HG11 VAL A 100 4.520 5.897 1.552 1.00 10.00 H new ATOM 0 HG12 VAL A 100 4.035 4.944 2.974 1.00 10.00 H new ATOM 0 HG13 VAL A 100 3.621 4.376 1.339 1.00 10.00 H new ATOM 0 HG21 VAL A 100 2.923 7.074 0.216 1.00 10.00 H new ATOM 0 HG22 VAL A 100 1.982 5.583 -0.028 1.00 10.00 H new ATOM 0 HG23 VAL A 100 1.185 7.046 0.597 1.00 10.00 H new ATOM 369 N ASP A 101 1.571 5.374 5.027 1.00 10.00 N ATOM 370 CA ASP A 101 1.988 4.954 6.363 1.00 10.00 C ATOM 371 C ASP A 101 1.031 3.900 6.939 1.00 10.00 C ATOM 372 O ASP A 101 1.415 2.930 7.588 1.00 10.00 O ATOM 373 CB ASP A 101 2.151 6.183 7.265 1.00 10.00 C ATOM 374 CG ASP A 101 3.338 5.993 8.192 1.00 10.00 C ATOM 375 OD1 ASP A 101 3.190 5.272 9.197 1.00 10.00 O ATOM 376 OD2 ASP A 101 4.428 6.488 7.815 1.00 10.00 O ATOM 0 H ASP A 101 1.190 6.319 4.979 1.00 10.00 H new ATOM 0 HA ASP A 101 2.961 4.466 6.303 1.00 10.00 H new ATOM 0 HB2 ASP A 101 2.294 7.075 6.655 1.00 10.00 H new ATOM 0 HB3 ASP A 101 1.244 6.338 7.849 1.00 10.00 H new ATOM 381 N GLU A 102 -0.245 4.064 6.616 1.00 10.00 N ATOM 382 CA GLU A 102 -1.315 3.150 6.943 1.00 10.00 C ATOM 383 C GLU A 102 -1.208 1.883 6.105 1.00 10.00 C ATOM 384 O GLU A 102 -1.459 0.792 6.603 1.00 10.00 O ATOM 385 CB GLU A 102 -2.635 3.907 6.845 1.00 10.00 C ATOM 386 CG GLU A 102 -2.822 4.752 8.117 1.00 10.00 C ATOM 387 CD GLU A 102 -4.230 5.304 8.265 1.00 10.00 C ATOM 388 OE1 GLU A 102 -4.717 5.901 7.282 1.00 10.00 O ATOM 389 OE2 GLU A 102 -4.785 5.109 9.368 1.00 10.00 O ATOM 0 H GLU A 102 -0.570 4.878 6.095 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.248 2.788 7.969 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.637 4.548 5.963 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -3.463 3.207 6.732 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -2.584 4.143 8.989 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -2.113 5.580 8.103 1.00 10.00 H new ATOM 396 N LEU A 103 -0.725 1.991 4.873 1.00 10.00 N ATOM 397 CA LEU A 103 -0.290 0.828 4.118 1.00 10.00 C ATOM 398 C LEU A 103 0.754 0.033 4.923 1.00 10.00 C ATOM 399 O LEU A 103 0.646 -1.182 5.087 1.00 10.00 O ATOM 400 CB LEU A 103 0.283 1.287 2.772 1.00 10.00 C ATOM 401 CG LEU A 103 -0.376 0.636 1.555 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.510 0.999 0.355 1.00 10.00 C ATOM 403 CD2 LEU A 103 -0.425 -0.896 1.664 1.00 10.00 C ATOM 0 H LEU A 103 -0.626 2.876 4.376 1.00 10.00 H new ATOM 0 HA LEU A 103 -1.139 0.170 3.932 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.175 2.369 2.694 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.351 1.071 2.752 1.00 10.00 H new ATOM 0 HG LEU A 103 -1.404 0.989 1.466 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.092 0.562 -0.552 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.552 2.083 0.249 1.00 10.00 H new ATOM 0 HD13 LEU A 103 1.516 0.611 0.515 1.00 10.00 H new ATOM 0 HD21 LEU A 103 -0.902 -1.309 0.775 1.00 10.00 H new ATOM 0 HD22 LEU A 103 0.589 -1.287 1.747 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -0.997 -1.180 2.548 1.00 10.00 H new ATOM 415 N ARG A 104 1.766 0.732 5.448 1.00 10.00 N ATOM 416 CA ARG A 104 2.793 0.130 6.298 1.00 10.00 C ATOM 417 C ARG A 104 2.156 -0.598 7.483 1.00 10.00 C ATOM 418 O ARG A 104 2.502 -1.742 7.777 1.00 10.00 O ATOM 419 CB ARG A 104 3.779 1.213 6.760 1.00 10.00 C ATOM 420 CG ARG A 104 5.203 0.677 6.980 1.00 10.00 C ATOM 421 CD ARG A 104 6.169 1.815 7.333 1.00 10.00 C ATOM 422 NE ARG A 104 6.099 2.925 6.356 1.00 10.00 N ATOM 423 CZ ARG A 104 5.940 4.210 6.713 1.00 10.00 C ATOM 424 NH1 ARG A 104 6.221 4.621 7.950 1.00 10.00 N ATOM 425 NH2 ARG A 104 5.444 5.103 5.856 1.00 10.00 N ATOM 0 H ARG A 104 1.894 1.732 5.294 1.00 10.00 H new ATOM 0 HA ARG A 104 3.346 -0.614 5.724 1.00 10.00 H new ATOM 0 HB2 ARG A 104 3.808 2.010 6.017 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.416 1.655 7.688 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.198 -0.062 7.781 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.547 0.169 6.079 1.00 10.00 H new ATOM 0 HD2 ARG A 104 5.936 2.193 8.328 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.187 1.428 7.370 1.00 10.00 H new ATOM 0 HE ARG A 104 6.175 2.703 5.363 1.00 10.00 H new ATOM 0 HH11 ARG A 104 6.563 3.955 8.643 1.00 10.00 H new ATOM 0 HH12 ARG A 104 6.094 5.601 8.203 1.00 10.00 H new ATOM 0 HH21 ARG A 104 5.179 4.814 4.914 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.329 6.075 6.142 1.00 10.00 H new ATOM 439 N ARG A 105 1.215 0.068 8.154 1.00 10.00 N ATOM 440 CA ARG A 105 0.461 -0.531 9.247 1.00 10.00 C ATOM 441 C ARG A 105 -0.309 -1.769 8.765 1.00 10.00 C ATOM 442 O ARG A 105 -0.303 -2.790 9.447 1.00 10.00 O ATOM 443 CB ARG A 105 -0.437 0.527 9.908 1.00 10.00 C ATOM 444 CG ARG A 105 0.430 1.581 10.624 1.00 10.00 C ATOM 445 CD ARG A 105 -0.238 2.956 10.769 1.00 10.00 C ATOM 446 NE ARG A 105 -1.596 2.893 11.333 1.00 10.00 N ATOM 447 CZ ARG A 105 -1.884 2.879 12.642 1.00 10.00 C ATOM 448 NH1 ARG A 105 -0.900 2.705 13.533 1.00 10.00 N ATOM 449 NH2 ARG A 105 -3.146 3.044 13.053 1.00 10.00 N ATOM 0 H ARG A 105 0.958 1.034 7.953 1.00 10.00 H new ATOM 0 HA ARG A 105 1.149 -0.886 10.015 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -1.061 1.008 9.155 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -1.109 0.051 10.622 1.00 10.00 H new ATOM 0 HG2 ARG A 105 0.688 1.209 11.616 1.00 10.00 H new ATOM 0 HG3 ARG A 105 1.364 1.700 10.075 1.00 10.00 H new ATOM 0 HD2 ARG A 105 0.382 3.587 11.406 1.00 10.00 H new ATOM 0 HD3 ARG A 105 -0.281 3.435 9.791 1.00 10.00 H new ATOM 0 HE ARG A 105 -2.377 2.857 10.678 1.00 10.00 H new ATOM 0 HH11 ARG A 105 0.061 2.584 13.214 1.00 10.00 H new ATOM 0 HH12 ARG A 105 -1.112 2.693 14.531 1.00 10.00 H new ATOM 0 HH21 ARG A 105 -3.891 3.181 12.370 1.00 10.00 H new ATOM 0 HH22 ARG A 105 -3.363 3.033 14.050 1.00 10.00 H new ATOM 463 N ALA A 106 -0.939 -1.719 7.588 1.00 10.00 N ATOM 464 CA ALA A 106 -1.674 -2.846 7.023 1.00 10.00 C ATOM 465 C ALA A 106 -0.814 -4.095 6.976 1.00 10.00 C ATOM 466 O ALA A 106 -1.246 -5.168 7.390 1.00 10.00 O ATOM 467 CB ALA A 106 -2.177 -2.507 5.625 1.00 10.00 C ATOM 0 H ALA A 106 -0.951 -0.887 6.998 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.528 -3.044 7.670 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.723 -3.358 5.218 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.839 -1.642 5.676 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.330 -2.277 4.979 1.00 10.00 H new ATOM 473 N MET A 107 0.420 -3.950 6.501 1.00 10.00 N ATOM 474 CA MET A 107 1.352 -5.066 6.413 1.00 10.00 C ATOM 475 C MET A 107 1.694 -5.717 7.772 1.00 10.00 C ATOM 476 O MET A 107 2.171 -6.853 7.804 1.00 10.00 O ATOM 477 CB MET A 107 2.510 -4.672 5.502 1.00 10.00 C ATOM 478 CG MET A 107 1.902 -4.403 4.105 1.00 10.00 C ATOM 479 SD MET A 107 2.676 -5.290 2.737 1.00 10.00 S ATOM 480 CE MET A 107 4.042 -4.162 2.558 1.00 10.00 C ATOM 0 H MET A 107 0.798 -3.063 6.169 1.00 10.00 H new ATOM 0 HA MET A 107 0.871 -5.917 5.930 1.00 10.00 H new ATOM 0 HB2 MET A 107 3.017 -3.785 5.881 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.253 -5.468 5.454 1.00 10.00 H new ATOM 0 HG2 MET A 107 0.844 -4.664 4.132 1.00 10.00 H new ATOM 0 HG3 MET A 107 1.961 -3.334 3.902 1.00 10.00 H new ATOM 0 HE1 MET A 107 4.928 -4.711 2.238 1.00 10.00 H new ATOM 0 HE2 MET A 107 3.795 -3.406 1.812 1.00 10.00 H new ATOM 0 HE3 MET A 107 4.241 -3.677 3.514 1.00 10.00 H new ATOM 490 N ALA A 108 1.343 -5.087 8.903 1.00 10.00 N ATOM 491 CA ALA A 108 1.329 -5.765 10.200 1.00 10.00 C ATOM 492 C ALA A 108 0.271 -6.864 10.263 1.00 10.00 C ATOM 493 O ALA A 108 0.512 -7.915 10.851 1.00 10.00 O ATOM 494 CB ALA A 108 1.142 -4.754 11.336 1.00 10.00 C ATOM 0 H ALA A 108 1.065 -4.106 8.941 1.00 10.00 H new ATOM 0 HA ALA A 108 2.297 -6.250 10.324 1.00 10.00 H new ATOM 0 HB1 ALA A 108 1.134 -5.278 12.292 1.00 10.00 H new ATOM 0 HB2 ALA A 108 1.962 -4.036 11.322 1.00 10.00 H new ATOM 0 HB3 ALA A 108 0.197 -4.228 11.203 1.00 10.00 H new ATOM 500 N GLY A 109 -0.891 -6.636 9.651 1.00 10.00 N ATOM 501 CA GLY A 109 -1.945 -7.632 9.549 1.00 10.00 C ATOM 502 C GLY A 109 -1.460 -8.882 8.813 1.00 10.00 C ATOM 503 O GLY A 109 -1.874 -9.992 9.133 1.00 10.00 O ATOM 0 H GLY A 109 -1.124 -5.746 9.210 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.288 -7.905 10.547 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -2.800 -7.207 9.024 1.00 10.00 H new ATOM 507 N LEU A 110 -0.599 -8.691 7.809 1.00 10.00 N ATOM 508 CA LEU A 110 -0.140 -9.757 6.930 1.00 10.00 C ATOM 509 C LEU A 110 0.782 -10.727 7.664 1.00 10.00 C ATOM 510 O LEU A 110 0.548 -11.933 7.662 1.00 10.00 O ATOM 511 CB LEU A 110 0.577 -9.149 5.717 1.00 10.00 C ATOM 512 CG LEU A 110 -0.379 -8.717 4.592 1.00 10.00 C ATOM 513 CD1 LEU A 110 -1.534 -7.821 5.056 1.00 10.00 C ATOM 514 CD2 LEU A 110 0.442 -7.981 3.531 1.00 10.00 C ATOM 0 H LEU A 110 -0.200 -7.779 7.586 1.00 10.00 H new ATOM 0 HA LEU A 110 -1.008 -10.323 6.592 1.00 10.00 H new ATOM 0 HB2 LEU A 110 1.156 -8.285 6.043 1.00 10.00 H new ATOM 0 HB3 LEU A 110 1.286 -9.877 5.321 1.00 10.00 H new ATOM 0 HG LEU A 110 -0.846 -9.621 4.200 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -2.160 -7.562 4.202 1.00 10.00 H new ATOM 0 HD12 LEU A 110 -2.132 -8.352 5.796 1.00 10.00 H new ATOM 0 HD13 LEU A 110 -1.132 -6.910 5.500 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -0.213 -7.663 2.720 1.00 10.00 H new ATOM 0 HD22 LEU A 110 0.915 -7.107 3.979 1.00 10.00 H new ATOM 0 HD23 LEU A 110 1.209 -8.648 3.137 1.00 10.00 H new ATOM 526 N GLY A 111 1.862 -10.212 8.257 1.00 10.00 N ATOM 527 CA GLY A 111 2.861 -11.043 8.892 1.00 10.00 C ATOM 528 C GLY A 111 4.196 -10.334 9.090 1.00 10.00 C ATOM 529 O GLY A 111 4.913 -10.633 10.042 1.00 10.00 O ATOM 0 H GLY A 111 2.058 -9.212 8.305 1.00 10.00 H new ATOM 0 HA2 GLY A 111 2.486 -11.374 9.860 1.00 10.00 H new ATOM 0 HA3 GLY A 111 3.018 -11.937 8.288 1.00 10.00 H new ATOM 533 N GLN A 112 4.532 -9.399 8.198 1.00 10.00 N ATOM 534 CA GLN A 112 5.753 -8.606 8.259 1.00 10.00 C ATOM 535 C GLN A 112 5.420 -7.187 8.746 1.00 10.00 C ATOM 536 O GLN A 112 5.276 -6.290 7.921 1.00 10.00 O ATOM 537 CB GLN A 112 6.429 -8.604 6.874 1.00 10.00 C ATOM 538 CG GLN A 112 5.456 -8.351 5.704 1.00 10.00 C ATOM 539 CD GLN A 112 6.147 -7.902 4.417 1.00 10.00 C ATOM 540 OE1 GLN A 112 7.350 -8.079 4.248 1.00 10.00 O ATOM 541 NE2 GLN A 112 5.373 -7.321 3.505 1.00 10.00 N ATOM 0 H GLN A 112 3.945 -9.170 7.396 1.00 10.00 H new ATOM 0 HA GLN A 112 6.456 -9.040 8.970 1.00 10.00 H new ATOM 0 HB2 GLN A 112 7.205 -7.839 6.860 1.00 10.00 H new ATOM 0 HB3 GLN A 112 6.924 -9.563 6.721 1.00 10.00 H new ATOM 0 HG2 GLN A 112 4.895 -9.264 5.505 1.00 10.00 H new ATOM 0 HG3 GLN A 112 4.733 -7.592 6.002 1.00 10.00 H new ATOM 0 HE21 GLN A 112 4.377 -7.194 3.687 1.00 10.00 H new ATOM 0 HE22 GLN A 112 5.775 -7.002 2.623 1.00 10.00 H new ATOM 550 N PRO A 113 5.272 -6.936 10.058 1.00 10.00 N ATOM 551 CA PRO A 113 4.923 -5.612 10.543 1.00 10.00 C ATOM 552 C PRO A 113 6.059 -4.623 10.302 1.00 10.00 C ATOM 553 O PRO A 113 7.216 -4.940 10.564 1.00 10.00 O ATOM 554 CB PRO A 113 4.645 -5.781 12.042 1.00 10.00 C ATOM 555 CG PRO A 113 5.512 -6.983 12.417 1.00 10.00 C ATOM 556 CD PRO A 113 5.416 -7.861 11.172 1.00 10.00 C ATOM 0 HA PRO A 113 4.056 -5.209 10.019 1.00 10.00 H new ATOM 0 HB2 PRO A 113 4.922 -4.891 12.607 1.00 10.00 H new ATOM 0 HB3 PRO A 113 3.589 -5.967 12.239 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.540 -6.691 12.629 1.00 10.00 H new ATOM 0 HG3 PRO A 113 5.136 -7.494 13.304 1.00 10.00 H new ATOM 0 HD2 PRO A 113 6.307 -8.479 11.057 1.00 10.00 H new ATOM 0 HD3 PRO A 113 4.564 -8.538 11.233 1.00 10.00 H new ATOM 564 N LEU A 114 5.721 -3.420 9.821 1.00 10.00 N ATOM 565 CA LEU A 114 6.683 -2.362 9.551 1.00 10.00 C ATOM 566 C LEU A 114 7.857 -2.872 8.706 1.00 10.00 C ATOM 567 O LEU A 114 9.016 -2.723 9.099 1.00 10.00 O ATOM 568 CB LEU A 114 7.130 -1.719 10.877 1.00 10.00 C ATOM 569 CG LEU A 114 5.972 -1.011 11.603 1.00 10.00 C ATOM 570 CD1 LEU A 114 6.341 -0.787 13.073 1.00 10.00 C ATOM 571 CD2 LEU A 114 5.661 0.337 10.943 1.00 10.00 C ATOM 0 H LEU A 114 4.758 -3.158 9.608 1.00 10.00 H new ATOM 0 HA LEU A 114 6.206 -1.586 8.952 1.00 10.00 H new ATOM 0 HB2 LEU A 114 7.548 -2.487 11.528 1.00 10.00 H new ATOM 0 HB3 LEU A 114 7.926 -1.000 10.680 1.00 10.00 H new ATOM 0 HG LEU A 114 5.087 -1.644 11.539 1.00 10.00 H new ATOM 0 HD11 LEU A 114 5.518 -0.286 13.582 1.00 10.00 H new ATOM 0 HD12 LEU A 114 6.532 -1.748 13.551 1.00 10.00 H new ATOM 0 HD13 LEU A 114 7.236 -0.168 13.133 1.00 10.00 H new ATOM 0 HD21 LEU A 114 4.840 0.820 11.472 1.00 10.00 H new ATOM 0 HD22 LEU A 114 6.544 0.975 10.984 1.00 10.00 H new ATOM 0 HD23 LEU A 114 5.378 0.176 9.903 1.00 10.00 H new ATOM 583 N PRO A 115 7.584 -3.438 7.517 1.00 10.00 N ATOM 584 CA PRO A 115 8.625 -3.956 6.658 1.00 10.00 C ATOM 585 C PRO A 115 9.228 -2.773 5.929 1.00 10.00 C ATOM 586 O PRO A 115 8.880 -2.514 4.778 1.00 10.00 O ATOM 587 CB PRO A 115 7.908 -4.901 5.704 1.00 10.00 C ATOM 588 CG PRO A 115 6.525 -4.264 5.534 1.00 10.00 C ATOM 589 CD PRO A 115 6.297 -3.482 6.833 1.00 10.00 C ATOM 0 HA PRO A 115 9.427 -4.480 7.178 1.00 10.00 H new ATOM 0 HB2 PRO A 115 8.432 -4.982 4.751 1.00 10.00 H new ATOM 0 HB3 PRO A 115 7.837 -5.908 6.115 1.00 10.00 H new ATOM 0 HG2 PRO A 115 6.495 -3.607 4.665 1.00 10.00 H new ATOM 0 HG3 PRO A 115 5.755 -5.021 5.387 1.00 10.00 H new ATOM 0 HD2 PRO A 115 5.934 -2.476 6.622 1.00 10.00 H new ATOM 0 HD3 PRO A 115 5.544 -3.969 7.453 1.00 10.00 H new ATOM 597 N GLN A 116 10.077 -2.018 6.632 1.00 10.00 N ATOM 598 CA GLN A 116 10.532 -0.717 6.171 1.00 10.00 C ATOM 599 C GLN A 116 10.959 -0.774 4.707 1.00 10.00 C ATOM 600 O GLN A 116 10.530 0.078 3.953 1.00 10.00 O ATOM 601 CB GLN A 116 11.627 -0.142 7.085 1.00 10.00 C ATOM 602 CG GLN A 116 11.306 1.282 7.575 1.00 10.00 C ATOM 603 CD GLN A 116 11.549 2.405 6.563 1.00 10.00 C ATOM 604 OE1 GLN A 116 12.299 3.332 6.851 1.00 10.00 O ATOM 605 NE2 GLN A 116 10.916 2.385 5.393 1.00 10.00 N ATOM 0 H GLN A 116 10.464 -2.297 7.534 1.00 10.00 H new ATOM 0 HA GLN A 116 9.692 -0.025 6.230 1.00 10.00 H new ATOM 0 HB2 GLN A 116 11.757 -0.797 7.946 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.575 -0.131 6.547 1.00 10.00 H new ATOM 0 HG2 GLN A 116 10.260 1.314 7.881 1.00 10.00 H new ATOM 0 HG3 GLN A 116 11.904 1.484 8.464 1.00 10.00 H new ATOM 0 HE21 GLN A 116 10.294 1.610 5.163 1.00 10.00 H new ATOM 0 HE22 GLN A 116 11.052 3.145 4.726 1.00 10.00 H new ATOM 614 N GLU A 117 11.729 -1.793 4.329 1.00 10.00 N ATOM 615 CA GLU A 117 12.179 -2.145 2.980 1.00 10.00 C ATOM 616 C GLU A 117 11.056 -2.420 1.981 1.00 10.00 C ATOM 617 O GLU A 117 11.103 -1.929 0.857 1.00 10.00 O ATOM 618 CB GLU A 117 13.074 -3.378 3.141 1.00 10.00 C ATOM 619 CG GLU A 117 12.277 -4.546 3.743 1.00 10.00 C ATOM 620 CD GLU A 117 13.156 -5.461 4.579 1.00 10.00 C ATOM 621 OE1 GLU A 117 14.091 -6.045 3.992 1.00 10.00 O ATOM 622 OE2 GLU A 117 12.885 -5.528 5.798 1.00 10.00 O ATOM 0 H GLU A 117 12.087 -2.453 5.019 1.00 10.00 H new ATOM 0 HA GLU A 117 12.704 -1.291 2.553 1.00 10.00 H new ATOM 0 HB2 GLU A 117 13.481 -3.668 2.172 1.00 10.00 H new ATOM 0 HB3 GLU A 117 13.921 -3.138 3.784 1.00 10.00 H new ATOM 0 HG2 GLU A 117 11.470 -4.154 4.361 1.00 10.00 H new ATOM 0 HG3 GLU A 117 11.814 -5.121 2.941 1.00 10.00 H new ATOM 629 N GLU A 118 10.064 -3.227 2.345 1.00 10.00 N ATOM 630 CA GLU A 118 9.043 -3.644 1.403 1.00 10.00 C ATOM 631 C GLU A 118 8.144 -2.429 1.195 1.00 10.00 C ATOM 632 O GLU A 118 7.924 -1.978 0.072 1.00 10.00 O ATOM 633 CB GLU A 118 8.352 -4.917 1.925 1.00 10.00 C ATOM 634 CG GLU A 118 7.988 -5.922 0.819 1.00 10.00 C ATOM 635 CD GLU A 118 6.536 -5.812 0.396 1.00 10.00 C ATOM 636 OE1 GLU A 118 6.232 -4.916 -0.421 1.00 10.00 O ATOM 637 OE2 GLU A 118 5.745 -6.609 0.947 1.00 10.00 O ATOM 0 H GLU A 118 9.950 -3.603 3.286 1.00 10.00 H new ATOM 0 HA GLU A 118 9.426 -3.939 0.426 1.00 10.00 H new ATOM 0 HB2 GLU A 118 9.007 -5.406 2.646 1.00 10.00 H new ATOM 0 HB3 GLU A 118 7.445 -4.634 2.459 1.00 10.00 H new ATOM 0 HG2 GLU A 118 8.630 -5.755 -0.046 1.00 10.00 H new ATOM 0 HG3 GLU A 118 8.186 -6.934 1.172 1.00 10.00 H new ATOM 644 N LEU A 119 7.747 -1.787 2.300 1.00 10.00 N ATOM 645 CA LEU A 119 7.088 -0.504 2.189 1.00 10.00 C ATOM 646 C LEU A 119 7.997 0.554 1.558 1.00 10.00 C ATOM 647 O LEU A 119 7.461 1.451 0.936 1.00 10.00 O ATOM 648 CB LEU A 119 6.470 -0.051 3.519 1.00 10.00 C ATOM 649 CG LEU A 119 4.992 0.382 3.387 1.00 10.00 C ATOM 650 CD1 LEU A 119 4.751 1.579 2.471 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.070 -0.778 3.014 1.00 10.00 C ATOM 0 H LEU A 119 7.871 -2.132 3.252 1.00 10.00 H new ATOM 0 HA LEU A 119 6.252 -0.632 1.502 1.00 10.00 H new ATOM 0 HB2 LEU A 119 6.540 -0.865 4.241 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.051 0.780 3.918 1.00 10.00 H new ATOM 0 HG LEU A 119 4.734 0.719 4.391 1.00 10.00 H new ATOM 0 HD11 LEU A 119 3.685 1.807 2.443 1.00 10.00 H new ATOM 0 HD12 LEU A 119 5.297 2.443 2.850 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.098 1.343 1.465 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.045 -0.417 2.935 1.00 10.00 H new ATOM 0 HD22 LEU A 119 4.382 -1.198 2.058 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.125 -1.548 3.783 1.00 10.00 H new ATOM 663 N ASP A 120 9.328 0.501 1.684 1.00 10.00 N ATOM 664 CA ASP A 120 10.241 1.466 1.067 1.00 10.00 C ATOM 665 C ASP A 120 10.141 1.364 -0.449 1.00 10.00 C ATOM 666 O ASP A 120 9.881 2.326 -1.171 1.00 10.00 O ATOM 667 CB ASP A 120 11.708 1.297 1.478 1.00 10.00 C ATOM 668 CG ASP A 120 12.572 2.307 0.736 1.00 10.00 C ATOM 669 OD1 ASP A 120 12.506 3.492 1.124 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.269 1.876 -0.206 1.00 10.00 O ATOM 0 H ASP A 120 9.805 -0.221 2.223 1.00 10.00 H new ATOM 0 HA ASP A 120 9.927 2.446 1.426 1.00 10.00 H new ATOM 0 HB2 ASP A 120 11.812 1.437 2.554 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.043 0.284 1.254 1.00 10.00 H new ATOM 675 N ALA A 121 10.321 0.132 -0.907 1.00 10.00 N ATOM 676 CA ALA A 121 10.196 -0.270 -2.287 1.00 10.00 C ATOM 677 C ALA A 121 8.860 0.246 -2.842 1.00 10.00 C ATOM 678 O ALA A 121 8.827 0.973 -3.834 1.00 10.00 O ATOM 679 CB ALA A 121 10.367 -1.793 -2.308 1.00 10.00 C ATOM 0 H ALA A 121 10.569 -0.643 -0.292 1.00 10.00 H new ATOM 0 HA ALA A 121 10.954 0.158 -2.943 1.00 10.00 H new ATOM 0 HB1 ALA A 121 10.281 -2.155 -3.333 1.00 10.00 H new ATOM 0 HB2 ALA A 121 11.348 -2.054 -1.912 1.00 10.00 H new ATOM 0 HB3 ALA A 121 9.593 -2.255 -1.695 1.00 10.00 H new ATOM 685 N MET A 122 7.759 -0.048 -2.144 1.00 10.00 N ATOM 686 CA MET A 122 6.448 0.452 -2.496 1.00 10.00 C ATOM 687 C MET A 122 6.340 1.983 -2.361 1.00 10.00 C ATOM 688 O MET A 122 5.680 2.615 -3.177 1.00 10.00 O ATOM 689 CB MET A 122 5.425 -0.270 -1.621 1.00 10.00 C ATOM 690 CG MET A 122 5.340 -1.783 -1.906 1.00 10.00 C ATOM 691 SD MET A 122 5.012 -2.295 -3.614 1.00 10.00 S ATOM 692 CE MET A 122 5.228 -4.079 -3.439 1.00 10.00 C ATOM 0 H MET A 122 7.764 -0.644 -1.316 1.00 10.00 H new ATOM 0 HA MET A 122 6.254 0.248 -3.549 1.00 10.00 H new ATOM 0 HB2 MET A 122 5.682 -0.118 -0.573 1.00 10.00 H new ATOM 0 HB3 MET A 122 4.443 0.178 -1.776 1.00 10.00 H new ATOM 0 HG2 MET A 122 6.280 -2.238 -1.593 1.00 10.00 H new ATOM 0 HG3 MET A 122 4.557 -2.201 -1.273 1.00 10.00 H new ATOM 0 HE1 MET A 122 5.062 -4.562 -4.402 1.00 10.00 H new ATOM 0 HE2 MET A 122 6.241 -4.291 -3.096 1.00 10.00 H new ATOM 0 HE3 MET A 122 4.511 -4.463 -2.713 1.00 10.00 H new ATOM 702 N ILE A 123 6.965 2.593 -1.350 1.00 10.00 N ATOM 703 CA ILE A 123 6.969 4.033 -1.093 1.00 10.00 C ATOM 704 C ILE A 123 7.481 4.725 -2.350 1.00 10.00 C ATOM 705 O ILE A 123 6.840 5.637 -2.865 1.00 10.00 O ATOM 706 CB ILE A 123 7.818 4.391 0.161 1.00 10.00 C ATOM 707 CG1 ILE A 123 6.949 4.420 1.424 1.00 10.00 C ATOM 708 CG2 ILE A 123 8.517 5.758 0.050 1.00 10.00 C ATOM 709 CD1 ILE A 123 7.719 4.133 2.720 1.00 10.00 C ATOM 0 H ILE A 123 7.505 2.072 -0.659 1.00 10.00 H new ATOM 0 HA ILE A 123 5.959 4.378 -0.869 1.00 10.00 H new ATOM 0 HB ILE A 123 8.577 3.611 0.224 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.476 5.399 1.504 1.00 10.00 H new ATOM 0 HG13 ILE A 123 6.149 3.687 1.319 1.00 10.00 H new ATOM 0 HG21 ILE A 123 9.092 5.947 0.956 1.00 10.00 H new ATOM 0 HG22 ILE A 123 9.186 5.756 -0.810 1.00 10.00 H new ATOM 0 HG23 ILE A 123 7.768 6.540 -0.075 1.00 10.00 H new ATOM 0 HD11 ILE A 123 7.034 4.172 3.567 1.00 10.00 H new ATOM 0 HD12 ILE A 123 8.170 3.142 2.664 1.00 10.00 H new ATOM 0 HD13 ILE A 123 8.501 4.881 2.852 1.00 10.00 H new ATOM 721 N ARG A 124 8.633 4.272 -2.847 1.00 10.00 N ATOM 722 CA ARG A 124 9.250 4.834 -4.034 1.00 10.00 C ATOM 723 C ARG A 124 8.270 4.802 -5.207 1.00 10.00 C ATOM 724 O ARG A 124 8.139 5.791 -5.922 1.00 10.00 O ATOM 725 CB ARG A 124 10.561 4.088 -4.324 1.00 10.00 C ATOM 726 CG ARG A 124 11.301 4.643 -5.550 1.00 10.00 C ATOM 727 CD ARG A 124 10.938 3.873 -6.827 1.00 10.00 C ATOM 728 NE ARG A 124 11.502 4.512 -8.020 1.00 10.00 N ATOM 729 CZ ARG A 124 11.349 4.053 -9.272 1.00 10.00 C ATOM 730 NH1 ARG A 124 10.754 2.873 -9.501 1.00 10.00 N ATOM 731 NH2 ARG A 124 11.804 4.787 -10.294 1.00 10.00 N ATOM 0 H ARG A 124 9.160 3.504 -2.432 1.00 10.00 H new ATOM 0 HA ARG A 124 9.500 5.883 -3.872 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.212 4.153 -3.452 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.345 3.031 -4.483 1.00 10.00 H new ATOM 0 HG2 ARG A 124 11.054 5.697 -5.678 1.00 10.00 H new ATOM 0 HG3 ARG A 124 12.377 4.585 -5.383 1.00 10.00 H new ATOM 0 HD2 ARG A 124 11.306 2.850 -6.753 1.00 10.00 H new ATOM 0 HD3 ARG A 124 9.854 3.815 -6.922 1.00 10.00 H new ATOM 0 HE ARG A 124 12.048 5.364 -7.890 1.00 10.00 H new ATOM 0 HH11 ARG A 124 10.412 2.314 -8.719 1.00 10.00 H new ATOM 0 HH12 ARG A 124 10.643 2.535 -10.457 1.00 10.00 H new ATOM 0 HH21 ARG A 124 12.260 5.682 -10.116 1.00 10.00 H new ATOM 0 HH22 ARG A 124 11.695 4.452 -11.251 1.00 10.00 H new ATOM 745 N GLU A 125 7.615 3.658 -5.423 1.00 10.00 N ATOM 746 CA GLU A 125 6.716 3.462 -6.556 1.00 10.00 C ATOM 747 C GLU A 125 5.304 4.004 -6.286 1.00 10.00 C ATOM 748 O GLU A 125 4.490 4.107 -7.201 1.00 10.00 O ATOM 749 CB GLU A 125 6.752 1.986 -6.967 1.00 10.00 C ATOM 750 CG GLU A 125 8.195 1.644 -7.372 1.00 10.00 C ATOM 751 CD GLU A 125 8.353 0.251 -7.951 1.00 10.00 C ATOM 752 OE1 GLU A 125 7.681 -0.673 -7.453 1.00 10.00 O ATOM 753 OE2 GLU A 125 9.168 0.128 -8.893 1.00 10.00 O ATOM 0 H GLU A 125 7.695 2.843 -4.815 1.00 10.00 H new ATOM 0 HA GLU A 125 7.063 4.052 -7.404 1.00 10.00 H new ATOM 0 HB2 GLU A 125 6.427 1.352 -6.142 1.00 10.00 H new ATOM 0 HB3 GLU A 125 6.069 1.804 -7.797 1.00 10.00 H new ATOM 0 HG2 GLU A 125 8.540 2.374 -8.105 1.00 10.00 H new ATOM 0 HG3 GLU A 125 8.840 1.740 -6.499 1.00 10.00 H new ATOM 760 N ALA A 126 5.008 4.399 -5.047 1.00 10.00 N ATOM 761 CA ALA A 126 3.826 5.170 -4.703 1.00 10.00 C ATOM 762 C ALA A 126 4.068 6.645 -5.016 1.00 10.00 C ATOM 763 O ALA A 126 3.905 7.497 -4.145 1.00 10.00 O ATOM 764 CB ALA A 126 3.501 4.977 -3.218 1.00 10.00 C ATOM 0 H ALA A 126 5.598 4.185 -4.243 1.00 10.00 H new ATOM 0 HA ALA A 126 2.977 4.825 -5.292 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.614 5.556 -2.961 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.315 3.921 -3.021 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.343 5.316 -2.614 1.00 10.00 H new ATOM 770 N ASP A 127 4.439 6.967 -6.255 1.00 10.00 N ATOM 771 CA ASP A 127 4.681 8.331 -6.696 1.00 10.00 C ATOM 772 C ASP A 127 3.593 8.749 -7.683 1.00 10.00 C ATOM 773 O ASP A 127 3.871 9.401 -8.687 1.00 10.00 O ATOM 774 CB ASP A 127 6.084 8.431 -7.307 1.00 10.00 C ATOM 775 CG ASP A 127 6.291 7.559 -8.545 1.00 10.00 C ATOM 776 OD1 ASP A 127 5.526 6.579 -8.695 1.00 10.00 O ATOM 777 OD2 ASP A 127 7.232 7.871 -9.307 1.00 10.00 O ATOM 0 H ASP A 127 4.581 6.273 -6.989 1.00 10.00 H new ATOM 0 HA ASP A 127 4.640 9.016 -5.849 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.280 9.470 -7.571 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.818 8.150 -6.552 1.00 10.00 H new ATOM 782 N VAL A 128 2.338 8.401 -7.377 1.00 10.00 N ATOM 783 CA VAL A 128 1.231 8.614 -8.300 1.00 10.00 C ATOM 784 C VAL A 128 1.122 10.096 -8.670 1.00 10.00 C ATOM 785 O VAL A 128 1.021 10.430 -9.849 1.00 10.00 O ATOM 786 CB VAL A 128 -0.101 8.003 -7.842 1.00 10.00 C ATOM 787 CG1 VAL A 128 -1.305 8.517 -8.645 1.00 10.00 C ATOM 788 CG2 VAL A 128 -0.011 6.481 -8.061 1.00 10.00 C ATOM 0 H VAL A 128 2.069 7.970 -6.493 1.00 10.00 H new ATOM 0 HA VAL A 128 1.466 8.057 -9.207 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.255 8.280 -6.799 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -2.217 8.048 -8.274 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.382 9.599 -8.534 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -1.172 8.269 -9.698 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -0.943 6.012 -7.745 1.00 10.00 H new ATOM 0 HG22 VAL A 128 0.159 6.275 -9.118 1.00 10.00 H new ATOM 0 HG23 VAL A 128 0.815 6.077 -7.475 1.00 10.00 H new ATOM 798 N ASP A 129 1.139 10.966 -7.651 1.00 10.00 N ATOM 799 CA ASP A 129 1.145 12.410 -7.855 1.00 10.00 C ATOM 800 C ASP A 129 2.574 12.870 -8.146 1.00 10.00 C ATOM 801 O ASP A 129 2.947 13.055 -9.302 1.00 10.00 O ATOM 802 CB ASP A 129 0.535 13.159 -6.651 1.00 10.00 C ATOM 803 CG ASP A 129 -0.991 13.247 -6.657 1.00 10.00 C ATOM 804 OD1 ASP A 129 -1.618 12.719 -7.598 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.513 13.847 -5.692 1.00 10.00 O ATOM 0 H ASP A 129 1.149 10.685 -6.670 1.00 10.00 H new ATOM 0 HA ASP A 129 0.516 12.650 -8.712 1.00 10.00 H new ATOM 0 HB2 ASP A 129 0.853 12.663 -5.734 1.00 10.00 H new ATOM 0 HB3 ASP A 129 0.943 14.169 -6.625 1.00 10.00 H new ATOM 810 N GLN A 130 3.351 13.087 -7.078 1.00 10.00 N ATOM 811 CA GLN A 130 4.724 13.590 -7.077 1.00 10.00 C ATOM 812 C GLN A 130 5.126 13.843 -5.617 1.00 10.00 C ATOM 813 O GLN A 130 5.153 14.986 -5.176 1.00 10.00 O ATOM 814 CB GLN A 130 4.870 14.858 -7.952 1.00 10.00 C ATOM 815 CG GLN A 130 5.636 14.582 -9.253 1.00 10.00 C ATOM 816 CD GLN A 130 5.593 15.791 -10.183 1.00 10.00 C ATOM 817 OE1 GLN A 130 6.191 16.824 -9.900 1.00 10.00 O ATOM 818 NE2 GLN A 130 4.892 15.679 -11.307 1.00 10.00 N ATOM 0 H GLN A 130 3.013 12.903 -6.133 1.00 10.00 H new ATOM 0 HA GLN A 130 5.395 12.853 -7.520 1.00 10.00 H new ATOM 0 HB2 GLN A 130 3.881 15.248 -8.191 1.00 10.00 H new ATOM 0 HB3 GLN A 130 5.388 15.631 -7.385 1.00 10.00 H new ATOM 0 HG2 GLN A 130 6.672 14.333 -9.023 1.00 10.00 H new ATOM 0 HG3 GLN A 130 5.204 13.717 -9.756 1.00 10.00 H new ATOM 0 HE21 GLN A 130 4.404 14.809 -11.519 1.00 10.00 H new ATOM 0 HE22 GLN A 130 4.842 16.463 -11.957 1.00 10.00 H new ATOM 827 N ASP A 131 5.406 12.765 -4.874 1.00 10.00 N ATOM 828 CA ASP A 131 5.950 12.778 -3.512 1.00 10.00 C ATOM 829 C ASP A 131 5.928 11.349 -2.976 1.00 10.00 C ATOM 830 O ASP A 131 6.955 10.683 -2.873 1.00 10.00 O ATOM 831 CB ASP A 131 5.146 13.686 -2.547 1.00 10.00 C ATOM 832 CG ASP A 131 5.789 15.037 -2.246 1.00 10.00 C ATOM 833 OD1 ASP A 131 7.037 15.107 -2.249 1.00 10.00 O ATOM 834 OD2 ASP A 131 5.009 15.960 -1.922 1.00 10.00 O ATOM 0 H ASP A 131 5.252 11.819 -5.222 1.00 10.00 H new ATOM 0 HA ASP A 131 6.962 13.180 -3.563 1.00 10.00 H new ATOM 0 HB2 ASP A 131 4.158 13.858 -2.973 1.00 10.00 H new ATOM 0 HB3 ASP A 131 5.000 13.153 -1.608 1.00 10.00 H new ATOM 839 N GLY A 132 4.726 10.901 -2.616 1.00 10.00 N ATOM 840 CA GLY A 132 4.488 9.668 -1.888 1.00 10.00 C ATOM 841 C GLY A 132 2.979 9.486 -1.743 1.00 10.00 C ATOM 842 O GLY A 132 2.442 9.597 -0.642 1.00 10.00 O ATOM 0 H GLY A 132 3.867 11.407 -2.833 1.00 10.00 H new ATOM 0 HA2 GLY A 132 4.924 8.822 -2.419 1.00 10.00 H new ATOM 0 HA3 GLY A 132 4.963 9.707 -0.908 1.00 10.00 H new ATOM 846 N ARG A 133 2.285 9.285 -2.865 1.00 10.00 N ATOM 847 CA ARG A 133 0.840 9.154 -2.937 1.00 10.00 C ATOM 848 C ARG A 133 0.528 8.061 -3.950 1.00 10.00 C ATOM 849 O ARG A 133 1.272 7.908 -4.914 1.00 10.00 O ATOM 850 CB ARG A 133 0.238 10.475 -3.421 1.00 10.00 C ATOM 851 CG ARG A 133 0.341 11.585 -2.369 1.00 10.00 C ATOM 852 CD ARG A 133 -0.252 12.875 -2.946 1.00 10.00 C ATOM 853 NE ARG A 133 -1.024 13.636 -1.954 1.00 10.00 N ATOM 854 CZ ARG A 133 -2.336 13.463 -1.728 1.00 10.00 C ATOM 855 NH1 ARG A 133 -2.982 12.432 -2.281 1.00 10.00 N ATOM 856 NH2 ARG A 133 -2.997 14.316 -0.935 1.00 10.00 N ATOM 0 H ARG A 133 2.735 9.207 -3.777 1.00 10.00 H new ATOM 0 HA ARG A 133 0.425 8.907 -1.960 1.00 10.00 H new ATOM 0 HB2 ARG A 133 0.748 10.792 -4.331 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -0.809 10.320 -3.680 1.00 10.00 H new ATOM 0 HG2 ARG A 133 -0.194 11.297 -1.464 1.00 10.00 H new ATOM 0 HG3 ARG A 133 1.382 11.742 -2.088 1.00 10.00 H new ATOM 0 HD2 ARG A 133 0.554 13.500 -3.331 1.00 10.00 H new ATOM 0 HD3 ARG A 133 -0.896 12.629 -3.790 1.00 10.00 H new ATOM 0 HE ARG A 133 -0.532 14.340 -1.403 1.00 10.00 H new ATOM 0 HH11 ARG A 133 -2.478 11.774 -2.876 1.00 10.00 H new ATOM 0 HH12 ARG A 133 -3.979 12.303 -2.108 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -2.504 15.097 -0.503 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -3.994 14.185 -0.763 1.00 10.00 H new ATOM 870 N VAL A 134 -0.557 7.308 -3.763 1.00 10.00 N ATOM 871 CA VAL A 134 -0.925 6.236 -4.662 1.00 10.00 C ATOM 872 C VAL A 134 -2.428 5.987 -4.610 1.00 10.00 C ATOM 873 O VAL A 134 -3.024 5.938 -3.530 1.00 10.00 O ATOM 874 CB VAL A 134 -0.088 4.997 -4.354 1.00 10.00 C ATOM 875 CG1 VAL A 134 -0.301 4.507 -2.957 1.00 10.00 C ATOM 876 CG2 VAL A 134 -0.286 3.851 -5.328 1.00 10.00 C ATOM 0 H VAL A 134 -1.200 7.432 -2.981 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.705 6.517 -5.692 1.00 10.00 H new ATOM 0 HB VAL A 134 0.941 5.337 -4.467 1.00 10.00 H new ATOM 0 HG11 VAL A 134 0.315 3.624 -2.783 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -0.022 5.289 -2.251 1.00 10.00 H new ATOM 0 HG13 VAL A 134 -1.351 4.250 -2.818 1.00 10.00 H new ATOM 0 HG21 VAL A 134 0.345 3.012 -5.036 1.00 10.00 H new ATOM 0 HG22 VAL A 134 -1.331 3.540 -5.317 1.00 10.00 H new ATOM 0 HG23 VAL A 134 -0.015 4.176 -6.332 1.00 10.00 H new ATOM 886 N ASN A 135 -3.032 5.848 -5.791 1.00 10.00 N ATOM 887 CA ASN A 135 -4.423 5.466 -5.927 1.00 10.00 C ATOM 888 C ASN A 135 -4.592 4.065 -5.346 1.00 10.00 C ATOM 889 O ASN A 135 -3.834 3.156 -5.697 1.00 10.00 O ATOM 890 CB ASN A 135 -4.862 5.491 -7.396 1.00 10.00 C ATOM 891 CG ASN A 135 -5.756 6.678 -7.739 1.00 10.00 C ATOM 892 OD1 ASN A 135 -5.553 7.787 -7.254 1.00 10.00 O ATOM 893 ND2 ASN A 135 -6.747 6.453 -8.593 1.00 10.00 N ATOM 0 H ASN A 135 -2.559 6.000 -6.682 1.00 10.00 H new ATOM 0 HA ASN A 135 -5.050 6.177 -5.389 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -3.977 5.516 -8.032 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -5.393 4.567 -7.625 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -7.368 7.215 -8.865 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -6.887 5.518 -8.977 1.00 10.00 H new ATOM 900 N TYR A 136 -5.581 3.915 -4.464 1.00 10.00 N ATOM 901 CA TYR A 136 -5.860 2.701 -3.712 1.00 10.00 C ATOM 902 C TYR A 136 -5.746 1.445 -4.599 1.00 10.00 C ATOM 903 O TYR A 136 -4.953 0.555 -4.305 1.00 10.00 O ATOM 904 CB TYR A 136 -7.201 2.848 -2.988 1.00 10.00 C ATOM 905 CG TYR A 136 -8.043 1.596 -2.986 1.00 10.00 C ATOM 906 CD1 TYR A 136 -7.675 0.502 -2.190 1.00 10.00 C ATOM 907 CD2 TYR A 136 -9.004 1.420 -3.991 1.00 10.00 C ATOM 908 CE1 TYR A 136 -8.272 -0.748 -2.422 1.00 10.00 C ATOM 909 CE2 TYR A 136 -9.762 0.251 -4.049 1.00 10.00 C ATOM 910 CZ TYR A 136 -9.346 -0.871 -3.318 1.00 10.00 C ATOM 911 OH TYR A 136 -9.826 -2.106 -3.619 1.00 10.00 O ATOM 0 H TYR A 136 -6.233 4.669 -4.249 1.00 10.00 H new ATOM 0 HA TYR A 136 -5.102 2.557 -2.942 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -7.014 3.148 -1.957 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -7.768 3.653 -3.456 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -6.940 0.619 -1.407 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -9.159 2.196 -4.726 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -7.902 -1.622 -1.907 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -10.659 0.210 -4.650 1.00 10.00 H new ATOM 0 HH TYR A 136 -9.323 -2.477 -4.374 1.00 10.00 H new ATOM 921 N GLU A 137 -6.543 1.371 -5.673 1.00 10.00 N ATOM 922 CA GLU A 137 -6.694 0.159 -6.477 1.00 10.00 C ATOM 923 C GLU A 137 -5.522 0.023 -7.442 1.00 10.00 C ATOM 924 O GLU A 137 -4.854 -1.012 -7.459 1.00 10.00 O ATOM 925 CB GLU A 137 -8.035 0.191 -7.236 1.00 10.00 C ATOM 926 CG GLU A 137 -8.425 -1.173 -7.830 1.00 10.00 C ATOM 927 CD GLU A 137 -9.051 -2.118 -6.809 1.00 10.00 C ATOM 928 OE1 GLU A 137 -8.389 -2.411 -5.788 1.00 10.00 O ATOM 929 OE2 GLU A 137 -10.208 -2.521 -7.035 1.00 10.00 O ATOM 0 H GLU A 137 -7.102 2.156 -6.007 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.696 -0.710 -5.819 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.821 0.524 -6.558 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -7.974 0.926 -8.039 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -9.127 -1.018 -8.649 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -7.538 -1.644 -8.255 1.00 10.00 H new ATOM 936 N GLU A 138 -5.259 1.077 -8.229 1.00 10.00 N ATOM 937 CA GLU A 138 -4.178 1.123 -9.199 1.00 10.00 C ATOM 938 C GLU A 138 -2.888 0.566 -8.601 1.00 10.00 C ATOM 939 O GLU A 138 -2.161 -0.145 -9.293 1.00 10.00 O ATOM 940 CB GLU A 138 -3.971 2.561 -9.687 1.00 10.00 C ATOM 941 CG GLU A 138 -4.956 2.982 -10.789 1.00 10.00 C ATOM 942 CD GLU A 138 -6.400 3.019 -10.316 1.00 10.00 C ATOM 943 OE1 GLU A 138 -6.706 3.923 -9.508 1.00 10.00 O ATOM 944 OE2 GLU A 138 -7.163 2.130 -10.744 1.00 10.00 O ATOM 0 H GLU A 138 -5.810 1.935 -8.201 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.449 0.500 -10.051 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -4.072 3.241 -8.841 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -2.953 2.666 -10.061 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -4.676 3.968 -11.161 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -4.872 2.290 -11.627 1.00 10.00 H new ATOM 951 N PHE A 139 -2.630 0.849 -7.316 1.00 10.00 N ATOM 952 CA PHE A 139 -1.562 0.221 -6.548 1.00 10.00 C ATOM 953 C PHE A 139 -1.279 -1.214 -6.976 1.00 10.00 C ATOM 954 O PHE A 139 -0.142 -1.570 -7.278 1.00 10.00 O ATOM 955 CB PHE A 139 -1.888 0.233 -5.049 1.00 10.00 C ATOM 956 CG PHE A 139 -0.676 -0.118 -4.211 1.00 10.00 C ATOM 957 CD1 PHE A 139 -0.114 -1.410 -4.259 1.00 10.00 C ATOM 958 CD2 PHE A 139 -0.023 0.893 -3.489 1.00 10.00 C ATOM 959 CE1 PHE A 139 1.155 -1.644 -3.715 1.00 10.00 C ATOM 960 CE2 PHE A 139 1.262 0.672 -2.974 1.00 10.00 C ATOM 961 CZ PHE A 139 1.846 -0.596 -3.098 1.00 10.00 C ATOM 0 H PHE A 139 -3.168 1.530 -6.780 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.669 0.813 -6.747 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -2.255 1.219 -4.764 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.690 -0.477 -4.845 1.00 10.00 H new ATOM 0 HD1 PHE A 139 -0.663 -2.220 -4.716 1.00 10.00 H new ATOM 0 HD2 PHE A 139 -0.511 1.843 -3.330 1.00 10.00 H new ATOM 0 HE1 PHE A 139 1.597 -2.628 -3.772 1.00 10.00 H new ATOM 0 HE2 PHE A 139 1.798 1.473 -2.486 1.00 10.00 H new ATOM 0 HZ PHE A 139 2.841 -0.766 -2.713 1.00 10.00 H new ATOM 971 N ALA A 140 -2.305 -2.060 -6.954 1.00 10.00 N ATOM 972 CA ALA A 140 -2.178 -3.487 -7.178 1.00 10.00 C ATOM 973 C ALA A 140 -1.428 -3.778 -8.491 1.00 10.00 C ATOM 974 O ALA A 140 -0.620 -4.706 -8.568 1.00 10.00 O ATOM 975 CB ALA A 140 -3.596 -4.052 -7.204 1.00 10.00 C ATOM 0 H ALA A 140 -3.264 -1.762 -6.776 1.00 10.00 H new ATOM 0 HA ALA A 140 -1.593 -3.957 -6.387 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -3.556 -5.128 -7.371 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.086 -3.850 -6.251 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.161 -3.581 -8.009 1.00 10.00 H new ATOM 981 N ARG A 141 -1.662 -2.944 -9.515 1.00 10.00 N ATOM 982 CA ARG A 141 -0.962 -3.014 -10.791 1.00 10.00 C ATOM 983 C ARG A 141 0.547 -2.849 -10.586 1.00 10.00 C ATOM 984 O ARG A 141 1.329 -3.537 -11.234 1.00 10.00 O ATOM 985 CB ARG A 141 -1.502 -1.922 -11.730 1.00 10.00 C ATOM 986 CG ARG A 141 -0.955 -2.035 -13.158 1.00 10.00 C ATOM 987 CD ARG A 141 -1.372 -0.810 -13.984 1.00 10.00 C ATOM 988 NE ARG A 141 -0.552 -0.695 -15.199 1.00 10.00 N ATOM 989 CZ ARG A 141 -0.564 0.355 -16.036 1.00 10.00 C ATOM 990 NH1 ARG A 141 -1.477 1.320 -15.878 1.00 10.00 N ATOM 991 NH2 ARG A 141 0.340 0.437 -17.019 1.00 10.00 N ATOM 0 H ARG A 141 -2.353 -2.195 -9.472 1.00 10.00 H new ATOM 0 HA ARG A 141 -1.135 -3.991 -11.241 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -2.590 -1.980 -11.758 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -1.246 -0.943 -11.325 1.00 10.00 H new ATOM 0 HG2 ARG A 141 0.132 -2.113 -13.134 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -1.330 -2.944 -13.628 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -2.424 -0.891 -14.256 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -1.267 0.093 -13.382 1.00 10.00 H new ATOM 0 HE ARG A 141 0.072 -1.470 -15.423 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -2.161 1.257 -15.124 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -1.489 2.119 -16.512 1.00 10.00 H new ATOM 0 HH21 ARG A 141 1.038 -0.298 -17.133 1.00 10.00 H new ATOM 0 HH22 ARG A 141 0.331 1.234 -17.655 1.00 10.00 H new ATOM 1005 N MET A 142 0.957 -1.918 -9.721 1.00 10.00 N ATOM 1006 CA MET A 142 2.353 -1.616 -9.430 1.00 10.00 C ATOM 1007 C MET A 142 2.944 -2.532 -8.353 1.00 10.00 C ATOM 1008 O MET A 142 4.155 -2.718 -8.334 1.00 10.00 O ATOM 1009 CB MET A 142 2.504 -0.141 -9.051 1.00 10.00 C ATOM 1010 CG MET A 142 2.474 0.769 -10.284 1.00 10.00 C ATOM 1011 SD MET A 142 4.044 0.820 -11.190 1.00 10.00 S ATOM 1012 CE MET A 142 3.599 1.914 -12.555 1.00 10.00 C ATOM 0 H MET A 142 0.305 -1.339 -9.191 1.00 10.00 H new ATOM 0 HA MET A 142 2.925 -1.808 -10.338 1.00 10.00 H new ATOM 0 HB2 MET A 142 1.702 0.143 -8.370 1.00 10.00 H new ATOM 0 HB3 MET A 142 3.443 0.003 -8.516 1.00 10.00 H new ATOM 0 HG2 MET A 142 1.687 0.428 -10.957 1.00 10.00 H new ATOM 0 HG3 MET A 142 2.211 1.780 -9.972 1.00 10.00 H new ATOM 0 HE1 MET A 142 4.461 2.049 -13.209 1.00 10.00 H new ATOM 0 HE2 MET A 142 2.779 1.473 -13.122 1.00 10.00 H new ATOM 0 HE3 MET A 142 3.288 2.881 -12.160 1.00 10.00 H new ATOM 1022 N LEU A 143 2.132 -3.155 -7.489 1.00 10.00 N ATOM 1023 CA LEU A 143 2.565 -4.350 -6.796 1.00 10.00 C ATOM 1024 C LEU A 143 3.073 -5.320 -7.861 1.00 10.00 C ATOM 1025 O LEU A 143 4.225 -5.744 -7.832 1.00 10.00 O ATOM 1026 CB LEU A 143 1.423 -4.924 -5.948 1.00 10.00 C ATOM 1027 CG LEU A 143 1.448 -6.454 -5.908 1.00 10.00 C ATOM 1028 CD1 LEU A 143 2.666 -6.951 -5.137 1.00 10.00 C ATOM 1029 CD2 LEU A 143 0.163 -6.930 -5.286 1.00 10.00 C ATOM 0 H LEU A 143 1.186 -2.848 -7.263 1.00 10.00 H new ATOM 0 HA LEU A 143 3.370 -4.142 -6.091 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.495 -4.534 -4.933 1.00 10.00 H new ATOM 0 HB3 LEU A 143 0.468 -4.588 -6.352 1.00 10.00 H new ATOM 0 HG LEU A 143 1.529 -6.858 -6.917 1.00 10.00 H new ATOM 0 HD11 LEU A 143 2.666 -8.041 -5.120 1.00 10.00 H new ATOM 0 HD12 LEU A 143 3.574 -6.596 -5.624 1.00 10.00 H new ATOM 0 HD13 LEU A 143 2.630 -6.572 -4.116 1.00 10.00 H new ATOM 0 HD21 LEU A 143 0.159 -8.019 -5.247 1.00 10.00 H new ATOM 0 HD22 LEU A 143 0.078 -6.531 -4.275 1.00 10.00 H new ATOM 0 HD23 LEU A 143 -0.680 -6.585 -5.884 1.00 10.00 H new ATOM 1041 N ALA A 144 2.184 -5.694 -8.785 1.00 10.00 N ATOM 1042 CA ALA A 144 2.508 -6.725 -9.746 1.00 10.00 C ATOM 1043 C ALA A 144 3.651 -6.290 -10.681 1.00 10.00 C ATOM 1044 O ALA A 144 4.548 -7.082 -10.951 1.00 10.00 O ATOM 1045 CB ALA A 144 1.207 -7.112 -10.435 1.00 10.00 C ATOM 0 H ALA A 144 1.249 -5.298 -8.879 1.00 10.00 H new ATOM 0 HA ALA A 144 2.913 -7.618 -9.270 1.00 10.00 H new ATOM 0 HB1 ALA A 144 1.403 -7.891 -11.172 1.00 10.00 H new ATOM 0 HB2 ALA A 144 0.499 -7.484 -9.694 1.00 10.00 H new ATOM 0 HB3 ALA A 144 0.785 -6.239 -10.933 1.00 10.00 H new