USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 351 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 94 LYS NZ :NH3+ 157:sc= -0.029 (180deg=-0.216) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.05 K(o=-0.05,f=-1.1) USER MOD Single : A 106 SER OG : rot -39:sc= 1.31 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 -17.913 -28.574 2.774 1.00 0.00 N ATOM 2 CA ILE A 88 -18.073 -27.159 2.460 1.00 0.00 C ATOM 3 C ILE A 88 -17.017 -26.316 3.168 1.00 0.00 C ATOM 4 O ILE A 88 -16.644 -25.244 2.693 1.00 0.00 O ATOM 5 CB ILE A 88 -19.471 -26.649 2.856 1.00 0.00 C ATOM 6 CG1 ILE A 88 -19.797 -27.055 4.295 1.00 0.00 C ATOM 7 CG2 ILE A 88 -20.523 -27.188 1.897 1.00 0.00 C ATOM 8 CD1 ILE A 88 -20.996 -26.332 4.870 1.00 0.00 C ATOM 0 HA ILE A 88 -17.951 -27.059 1.381 1.00 0.00 H new ATOM 0 HB ILE A 88 -19.475 -25.561 2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -19.980 -28.129 4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -18.929 -26.860 4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -21.506 -26.819 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -20.297 -26.854 0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -20.520 -28.278 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -21.169 -26.669 5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -20.808 -25.258 4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -21.876 -26.547 4.264 1.00 0.00 H new ATOM 20 N ASP A 89 -16.540 -26.810 4.305 1.00 0.00 N ATOM 21 CA ASP A 89 -15.525 -26.104 5.078 1.00 0.00 C ATOM 22 C ASP A 89 -14.279 -25.850 4.236 1.00 0.00 C ATOM 23 O ASP A 89 -13.786 -24.724 4.161 1.00 0.00 O ATOM 24 CB ASP A 89 -15.155 -26.906 6.328 1.00 0.00 C ATOM 25 CG ASP A 89 -13.935 -26.348 7.034 1.00 0.00 C ATOM 26 OD1 ASP A 89 -12.805 -26.664 6.606 1.00 0.00 O ATOM 27 OD2 ASP A 89 -14.111 -25.594 8.014 1.00 0.00 O ATOM 0 H ASP A 89 -16.840 -27.696 4.712 1.00 0.00 H new ATOM 0 HA ASP A 89 -15.939 -25.143 5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -16.000 -26.910 7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -14.967 -27.943 6.049 1.00 0.00 H new ATOM 32 N VAL A 90 -13.774 -26.904 3.602 1.00 0.00 N ATOM 33 CA VAL A 90 -12.585 -26.795 2.764 1.00 0.00 C ATOM 34 C VAL A 90 -12.780 -25.753 1.668 1.00 0.00 C ATOM 35 O VAL A 90 -11.855 -25.015 1.327 1.00 0.00 O ATOM 36 CB VAL A 90 -12.230 -28.146 2.116 1.00 0.00 C ATOM 37 CG1 VAL A 90 -11.757 -29.136 3.170 1.00 0.00 C ATOM 38 CG2 VAL A 90 -13.422 -28.699 1.350 1.00 0.00 C ATOM 0 H VAL A 90 -14.170 -27.843 3.653 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.766 -26.486 3.414 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.415 -27.987 1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.511 -30.085 2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.873 -28.741 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.548 -29.293 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.153 -29.654 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -14.259 -28.843 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.710 -27.996 0.568 1.00 0.00 H new ATOM 48 N LEU A 91 -13.988 -25.699 1.118 1.00 0.00 N ATOM 49 CA LEU A 91 -14.305 -24.746 0.060 1.00 0.00 C ATOM 50 C LEU A 91 -14.226 -23.313 0.575 1.00 0.00 C ATOM 51 O LEU A 91 -13.937 -22.386 -0.182 1.00 0.00 O ATOM 52 CB LEU A 91 -15.702 -25.022 -0.500 1.00 0.00 C ATOM 53 CG LEU A 91 -16.285 -23.942 -1.410 1.00 0.00 C ATOM 54 CD1 LEU A 91 -17.135 -24.568 -2.504 1.00 0.00 C ATOM 55 CD2 LEU A 91 -17.104 -22.947 -0.600 1.00 0.00 C ATOM 0 H LEU A 91 -14.764 -26.304 1.387 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.570 -24.867 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -15.670 -25.959 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -16.384 -25.171 0.337 1.00 0.00 H new ATOM 0 HG LEU A 91 -15.460 -23.406 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -17.542 -23.784 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.520 -25.240 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -17.953 -25.129 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -17.512 -22.185 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -17.921 -23.469 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -16.467 -22.474 0.147 1.00 0.00 H new ATOM 67 N ARG A 92 -14.481 -23.139 1.868 1.00 0.00 N ATOM 68 CA ARG A 92 -14.436 -21.819 2.485 1.00 0.00 C ATOM 69 C ARG A 92 -12.997 -21.334 2.630 1.00 0.00 C ATOM 70 O ARG A 92 -12.673 -20.203 2.269 1.00 0.00 O ATOM 71 CB ARG A 92 -15.115 -21.850 3.855 1.00 0.00 C ATOM 72 CG ARG A 92 -16.476 -21.174 3.876 1.00 0.00 C ATOM 73 CD ARG A 92 -17.130 -21.279 5.245 1.00 0.00 C ATOM 74 NE ARG A 92 -18.581 -21.125 5.172 1.00 0.00 N ATOM 75 CZ ARG A 92 -19.190 -19.951 5.049 1.00 0.00 C ATOM 76 NH1 ARG A 92 -18.478 -18.834 4.985 1.00 0.00 N ATOM 77 NH2 ARG A 92 -20.514 -19.892 4.989 1.00 0.00 N ATOM 0 H ARG A 92 -14.721 -23.896 2.508 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.971 -21.125 1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.229 -22.887 4.171 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.466 -21.364 4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -16.366 -20.124 3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -17.122 -21.632 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -16.890 -22.245 5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -16.717 -20.515 5.904 1.00 0.00 H new ATOM 0 HE ARG A 92 -19.158 -21.965 5.218 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -17.460 -18.875 5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -18.949 -17.934 4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -21.065 -20.749 5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -20.981 -18.990 4.895 1.00 0.00 H new ATOM 91 N ALA A 93 -12.138 -22.198 3.159 1.00 0.00 N ATOM 92 CA ALA A 93 -10.733 -21.859 3.350 1.00 0.00 C ATOM 93 C ALA A 93 -10.082 -21.453 2.032 1.00 0.00 C ATOM 94 O ALA A 93 -9.110 -20.698 2.014 1.00 0.00 O ATOM 95 CB ALA A 93 -9.986 -23.030 3.972 1.00 0.00 C ATOM 0 H ALA A 93 -12.390 -23.138 3.463 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.680 -21.008 4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.938 -22.762 4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.428 -23.271 4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.056 -23.897 3.315 1.00 0.00 H new ATOM 101 N LYS A 94 -10.623 -21.961 0.930 1.00 0.00 N ATOM 102 CA LYS A 94 -10.096 -21.652 -0.394 1.00 0.00 C ATOM 103 C LYS A 94 -10.317 -20.182 -0.738 1.00 0.00 C ATOM 104 O LYS A 94 -9.508 -19.570 -1.434 1.00 0.00 O ATOM 105 CB LYS A 94 -10.760 -22.539 -1.450 1.00 0.00 C ATOM 106 CG LYS A 94 -9.788 -23.094 -2.476 1.00 0.00 C ATOM 107 CD LYS A 94 -10.414 -24.215 -3.288 1.00 0.00 C ATOM 108 CE LYS A 94 -10.631 -23.801 -4.735 1.00 0.00 C ATOM 109 NZ LYS A 94 -9.342 -23.560 -5.442 1.00 0.00 N ATOM 0 H LYS A 94 -11.427 -22.589 0.928 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.024 -21.848 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.262 -23.368 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.529 -21.963 -1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.467 -22.295 -3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.896 -23.464 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.771 -25.094 -3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.367 -24.499 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.191 -24.578 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.238 -22.896 -4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.483 -23.665 -6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.008 -22.597 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.634 -24.249 -5.117 1.00 0.00 H new ATOM 123 N ALA A 95 -11.417 -19.622 -0.245 1.00 0.00 N ATOM 124 CA ALA A 95 -11.742 -18.224 -0.498 1.00 0.00 C ATOM 125 C ALA A 95 -10.836 -17.296 0.306 1.00 0.00 C ATOM 126 O ALA A 95 -10.483 -16.210 -0.150 1.00 0.00 O ATOM 127 CB ALA A 95 -13.202 -17.954 -0.170 1.00 0.00 C ATOM 0 H ALA A 95 -12.098 -20.116 0.332 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.576 -18.024 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.431 -16.906 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.837 -18.585 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.386 -18.177 0.881 1.00 0.00 H new ATOM 133 N ALA A 96 -10.466 -17.732 1.506 1.00 0.00 N ATOM 134 CA ALA A 96 -9.602 -16.941 2.372 1.00 0.00 C ATOM 135 C ALA A 96 -8.221 -16.758 1.751 1.00 0.00 C ATOM 136 O ALA A 96 -7.636 -15.677 1.821 1.00 0.00 O ATOM 137 CB ALA A 96 -9.484 -17.596 3.740 1.00 0.00 C ATOM 0 H ALA A 96 -10.751 -18.629 1.900 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.052 -15.955 2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.836 -16.994 4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.472 -17.670 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.060 -18.594 3.630 1.00 0.00 H new ATOM 143 N LYS A 97 -7.705 -17.821 1.143 1.00 0.00 N ATOM 144 CA LYS A 97 -6.393 -17.778 0.509 1.00 0.00 C ATOM 145 C LYS A 97 -6.379 -16.780 -0.645 1.00 0.00 C ATOM 146 O LYS A 97 -5.375 -16.112 -0.888 1.00 0.00 O ATOM 147 CB LYS A 97 -6.004 -19.168 0.000 1.00 0.00 C ATOM 148 CG LYS A 97 -4.691 -19.678 0.568 1.00 0.00 C ATOM 149 CD LYS A 97 -4.819 -21.107 1.069 1.00 0.00 C ATOM 150 CE LYS A 97 -3.472 -21.670 1.498 1.00 0.00 C ATOM 151 NZ LYS A 97 -3.186 -21.391 2.932 1.00 0.00 N ATOM 0 H LYS A 97 -8.176 -18.723 1.076 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.667 -17.455 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.797 -19.873 0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.934 -19.141 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.918 -19.628 -0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.372 -19.032 1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.512 -21.138 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.243 -21.733 0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.457 -22.746 1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.685 -21.239 0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.260 -21.790 3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.175 -20.363 3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.923 -21.824 3.524 1.00 0.00 H new ATOM 165 N GLU A 98 -7.501 -16.684 -1.353 1.00 0.00 N ATOM 166 CA GLU A 98 -7.617 -15.767 -2.481 1.00 0.00 C ATOM 167 C GLU A 98 -7.704 -14.322 -1.999 1.00 0.00 C ATOM 168 O GLU A 98 -7.115 -13.421 -2.597 1.00 0.00 O ATOM 169 CB GLU A 98 -8.847 -16.111 -3.322 1.00 0.00 C ATOM 170 CG GLU A 98 -8.712 -15.721 -4.785 1.00 0.00 C ATOM 171 CD GLU A 98 -10.007 -15.892 -5.555 1.00 0.00 C ATOM 172 OE1 GLU A 98 -11.076 -15.957 -4.914 1.00 0.00 O ATOM 173 OE2 GLU A 98 -9.950 -15.961 -6.801 1.00 0.00 O ATOM 0 H GLU A 98 -8.342 -17.230 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.724 -15.874 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.034 -17.183 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.718 -15.609 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.388 -14.682 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.935 -16.328 -5.249 1.00 0.00 H new ATOM 180 N ARG A 99 -8.444 -14.109 -0.916 1.00 0.00 N ATOM 181 CA ARG A 99 -8.610 -12.773 -0.355 1.00 0.00 C ATOM 182 C ARG A 99 -7.309 -12.281 0.273 1.00 0.00 C ATOM 183 O ARG A 99 -7.011 -11.087 0.251 1.00 0.00 O ATOM 184 CB ARG A 99 -9.726 -12.772 0.691 1.00 0.00 C ATOM 185 CG ARG A 99 -10.557 -11.499 0.693 1.00 0.00 C ATOM 186 CD ARG A 99 -11.948 -11.743 1.259 1.00 0.00 C ATOM 187 NE ARG A 99 -12.867 -12.256 0.247 1.00 0.00 N ATOM 188 CZ ARG A 99 -14.188 -12.257 0.387 1.00 0.00 C ATOM 189 NH1 ARG A 99 -14.741 -11.774 1.491 1.00 0.00 N ATOM 190 NH2 ARG A 99 -14.959 -12.741 -0.578 1.00 0.00 N ATOM 0 H ARG A 99 -8.938 -14.844 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.880 -12.096 -1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.382 -13.624 0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.287 -12.911 1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.052 -10.734 1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.639 -11.115 -0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.885 -12.452 2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.342 -10.812 1.668 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.473 -12.634 -0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.152 -11.401 2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.756 -11.776 1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.538 -13.113 -1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.973 -12.741 -0.469 1.00 0.00 H new ATOM 204 N ALA A 100 -6.540 -13.209 0.831 1.00 0.00 N ATOM 205 CA ALA A 100 -5.271 -12.870 1.464 1.00 0.00 C ATOM 206 C ALA A 100 -4.315 -12.225 0.466 1.00 0.00 C ATOM 207 O ALA A 100 -3.774 -11.149 0.718 1.00 0.00 O ATOM 208 CB ALA A 100 -4.638 -14.111 2.077 1.00 0.00 C ATOM 0 H ALA A 100 -6.773 -14.202 0.858 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.470 -12.148 2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.691 -13.843 2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.309 -14.529 2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.460 -14.851 1.297 1.00 0.00 H new ATOM 214 N GLU A 101 -4.112 -12.890 -0.667 1.00 0.00 N ATOM 215 CA GLU A 101 -3.220 -12.381 -1.702 1.00 0.00 C ATOM 216 C GLU A 101 -3.588 -10.950 -2.081 1.00 0.00 C ATOM 217 O GLU A 101 -2.716 -10.123 -2.348 1.00 0.00 O ATOM 218 CB GLU A 101 -3.273 -13.279 -2.939 1.00 0.00 C ATOM 219 CG GLU A 101 -2.469 -12.746 -4.113 1.00 0.00 C ATOM 220 CD GLU A 101 -1.522 -13.782 -4.689 1.00 0.00 C ATOM 221 OE1 GLU A 101 -1.880 -14.978 -4.686 1.00 0.00 O ATOM 222 OE2 GLU A 101 -0.424 -13.396 -5.142 1.00 0.00 O ATOM 0 H GLU A 101 -4.553 -13.782 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.205 -12.383 -1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.902 -14.269 -2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.312 -13.400 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.152 -12.409 -4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.897 -11.875 -3.792 1.00 0.00 H new ATOM 229 N ARG A 102 -4.886 -10.665 -2.105 1.00 0.00 N ATOM 230 CA ARG A 102 -5.371 -9.335 -2.453 1.00 0.00 C ATOM 231 C ARG A 102 -5.005 -8.323 -1.371 1.00 0.00 C ATOM 232 O ARG A 102 -4.524 -7.229 -1.668 1.00 0.00 O ATOM 233 CB ARG A 102 -6.887 -9.358 -2.655 1.00 0.00 C ATOM 234 CG ARG A 102 -7.493 -7.981 -2.871 1.00 0.00 C ATOM 235 CD ARG A 102 -8.557 -8.006 -3.958 1.00 0.00 C ATOM 236 NE ARG A 102 -9.763 -7.285 -3.560 1.00 0.00 N ATOM 237 CZ ARG A 102 -10.923 -7.383 -4.200 1.00 0.00 C ATOM 238 NH1 ARG A 102 -11.032 -8.168 -5.263 1.00 0.00 N ATOM 239 NH2 ARG A 102 -11.975 -6.695 -3.777 1.00 0.00 N ATOM 0 H ARG A 102 -5.621 -11.338 -1.887 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.893 -9.033 -3.385 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.121 -9.988 -3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.354 -9.819 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.932 -7.625 -1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -6.708 -7.275 -3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.155 -7.564 -4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.813 -9.040 -4.191 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.712 -6.673 -2.746 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.224 -8.698 -5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.923 -8.242 -5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.894 -6.090 -2.960 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.865 -6.771 -4.269 1.00 0.00 H new ATOM 253 N ARG A 103 -5.239 -8.695 -0.117 1.00 0.00 N ATOM 254 CA ARG A 103 -4.937 -7.819 1.009 1.00 0.00 C ATOM 255 C ARG A 103 -3.457 -7.447 1.026 1.00 0.00 C ATOM 256 O ARG A 103 -3.101 -6.281 1.205 1.00 0.00 O ATOM 257 CB ARG A 103 -5.319 -8.496 2.326 1.00 0.00 C ATOM 258 CG ARG A 103 -6.292 -7.686 3.167 1.00 0.00 C ATOM 259 CD ARG A 103 -7.733 -7.952 2.762 1.00 0.00 C ATOM 260 NE ARG A 103 -8.683 -7.282 3.647 1.00 0.00 N ATOM 261 CZ ARG A 103 -10.002 -7.364 3.507 1.00 0.00 C ATOM 262 NH1 ARG A 103 -10.523 -8.084 2.524 1.00 0.00 N ATOM 263 NH2 ARG A 103 -10.801 -6.726 4.352 1.00 0.00 N ATOM 0 H ARG A 103 -5.637 -9.597 0.145 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.522 -6.907 0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -5.761 -9.469 2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.415 -8.679 2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.157 -7.933 4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.072 -6.624 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.890 -7.613 1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.921 -9.026 2.775 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.314 -6.721 4.414 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.911 -8.577 1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.536 -8.146 2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -10.403 -6.172 5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.813 -6.790 4.244 1.00 0.00 H new ATOM 277 N LEU A 104 -2.599 -8.444 0.840 1.00 0.00 N ATOM 278 CA LEU A 104 -1.158 -8.223 0.835 1.00 0.00 C ATOM 279 C LEU A 104 -0.761 -7.249 -0.271 1.00 0.00 C ATOM 280 O LEU A 104 0.084 -6.377 -0.068 1.00 0.00 O ATOM 281 CB LEU A 104 -0.418 -9.549 0.651 1.00 0.00 C ATOM 282 CG LEU A 104 0.963 -9.643 1.300 1.00 0.00 C ATOM 283 CD1 LEU A 104 0.854 -10.200 2.710 1.00 0.00 C ATOM 284 CD2 LEU A 104 1.891 -10.504 0.455 1.00 0.00 C ATOM 0 H LEU A 104 -2.877 -9.414 0.691 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.879 -7.789 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.041 -10.348 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.309 -9.736 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 104 1.384 -8.639 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.847 -10.259 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.225 -9.545 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.412 -11.196 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.870 -10.560 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.474 -11.507 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.995 -10.062 -0.536 1.00 0.00 H new ATOM 296 N GLN A 105 -1.377 -7.404 -1.438 1.00 0.00 N ATOM 297 CA GLN A 105 -1.088 -6.537 -2.574 1.00 0.00 C ATOM 298 C GLN A 105 -1.885 -5.240 -2.485 1.00 0.00 C ATOM 299 O GLN A 105 -2.631 -4.894 -3.402 1.00 0.00 O ATOM 300 CB GLN A 105 -1.407 -7.257 -3.886 1.00 0.00 C ATOM 301 CG GLN A 105 -0.487 -8.432 -4.174 1.00 0.00 C ATOM 302 CD GLN A 105 -1.087 -9.414 -5.162 1.00 0.00 C ATOM 303 OE1 GLN A 105 -2.286 -9.691 -5.129 1.00 0.00 O ATOM 304 NE2 GLN A 105 -0.253 -9.945 -6.048 1.00 0.00 N ATOM 0 H GLN A 105 -2.079 -8.121 -1.622 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.026 -6.292 -2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.437 -7.612 -3.855 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.340 -6.544 -4.708 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.459 -8.060 -4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.264 -8.951 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.734 -9.686 -6.039 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.599 -10.612 -6.738 1.00 0.00 H new ATOM 313 N SER A 106 -1.722 -4.525 -1.377 1.00 0.00 N ATOM 314 CA SER A 106 -2.429 -3.267 -1.166 1.00 0.00 C ATOM 315 C SER A 106 -1.936 -2.198 -2.135 1.00 0.00 C ATOM 316 O SER A 106 -2.705 -1.345 -2.579 1.00 0.00 O ATOM 317 CB SER A 106 -2.246 -2.789 0.275 1.00 0.00 C ATOM 318 OG SER A 106 -2.090 -3.885 1.160 1.00 0.00 O ATOM 0 H SER A 106 -1.106 -4.796 -0.610 1.00 0.00 H new ATOM 0 HA SER A 106 -3.489 -3.440 -1.351 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.373 -2.140 0.338 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.108 -2.194 0.576 1.00 0.00 H new ATOM 0 HG SER A 106 -2.687 -4.613 0.888 1.00 0.00 H new ATOM 324 N GLN A 107 -0.648 -2.251 -2.459 1.00 0.00 N ATOM 325 CA GLN A 107 -0.051 -1.286 -3.376 1.00 0.00 C ATOM 326 C GLN A 107 -0.703 -1.367 -4.752 1.00 0.00 C ATOM 327 O GLN A 107 -0.717 -0.390 -5.500 1.00 0.00 O ATOM 328 CB GLN A 107 1.454 -1.529 -3.496 1.00 0.00 C ATOM 329 CG GLN A 107 2.263 -0.907 -2.369 1.00 0.00 C ATOM 330 CD GLN A 107 3.528 -1.685 -2.060 1.00 0.00 C ATOM 331 OE1 GLN A 107 4.286 -2.042 -2.962 1.00 0.00 O ATOM 332 NE2 GLN A 107 3.762 -1.951 -0.780 1.00 0.00 N ATOM 0 H GLN A 107 0.002 -2.951 -2.101 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.220 -0.287 -2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 107 1.640 -2.603 -3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.804 -1.128 -4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.527 0.116 -2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.647 -0.852 -1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.106 -1.635 -0.065 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.598 -2.471 -0.512 1.00 0.00 H new ATOM 341 N GLN A 108 -1.241 -2.537 -5.078 1.00 0.00 N ATOM 342 CA GLN A 108 -1.893 -2.745 -6.366 1.00 0.00 C ATOM 343 C GLN A 108 -2.959 -1.683 -6.613 1.00 0.00 C ATOM 344 O GLN A 108 -3.245 -1.331 -7.758 1.00 0.00 O ATOM 345 CB GLN A 108 -2.522 -4.138 -6.424 1.00 0.00 C ATOM 346 CG GLN A 108 -2.584 -4.720 -7.827 1.00 0.00 C ATOM 347 CD GLN A 108 -2.240 -6.196 -7.863 1.00 0.00 C ATOM 348 OE1 GLN A 108 -1.113 -6.575 -8.181 1.00 0.00 O ATOM 349 NE2 GLN A 108 -3.213 -7.039 -7.536 1.00 0.00 N ATOM 0 H GLN A 108 -1.239 -3.355 -4.469 1.00 0.00 H new ATOM 0 HA GLN A 108 -1.136 -2.663 -7.146 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -1.951 -4.812 -5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -3.531 -4.089 -6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -3.585 -4.574 -8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.896 -4.175 -8.473 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -4.133 -6.681 -7.279 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -3.040 -8.044 -7.542 1.00 0.00 H new ATOM 358 N ASP A 109 -3.544 -1.176 -5.534 1.00 0.00 N ATOM 359 CA ASP A 109 -4.579 -0.153 -5.634 1.00 0.00 C ATOM 360 C ASP A 109 -3.977 1.243 -5.500 1.00 0.00 C ATOM 361 O ASP A 109 -4.543 2.112 -4.836 1.00 0.00 O ATOM 362 CB ASP A 109 -5.645 -0.368 -4.559 1.00 0.00 C ATOM 363 CG ASP A 109 -6.426 -1.651 -4.766 1.00 0.00 C ATOM 364 OD1 ASP A 109 -7.273 -1.686 -5.684 1.00 0.00 O ATOM 365 OD2 ASP A 109 -6.192 -2.618 -4.012 1.00 0.00 O ATOM 0 H ASP A 109 -3.319 -1.457 -4.579 1.00 0.00 H new ATOM 0 HA ASP A 109 -5.044 -0.236 -6.616 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.169 -0.390 -3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.333 0.477 -4.560 1.00 0.00 H new ATOM 370 N ASP A 110 -2.828 1.449 -6.132 1.00 0.00 N ATOM 371 CA ASP A 110 -2.150 2.739 -6.084 1.00 0.00 C ATOM 372 C ASP A 110 -2.858 3.760 -6.969 1.00 0.00 C ATOM 373 O ASP A 110 -2.931 4.943 -6.635 1.00 0.00 O ATOM 374 CB ASP A 110 -0.692 2.590 -6.522 1.00 0.00 C ATOM 375 CG ASP A 110 -0.563 1.979 -7.903 1.00 0.00 C ATOM 376 OD1 ASP A 110 -0.761 0.752 -8.031 1.00 0.00 O ATOM 377 OD2 ASP A 110 -0.264 2.727 -8.858 1.00 0.00 O ATOM 0 H ASP A 110 -2.346 0.739 -6.684 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.178 3.097 -5.055 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -0.211 3.568 -6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -0.161 1.968 -5.801 1.00 0.00 H new ATOM 382 N ILE A 111 -3.378 3.294 -8.100 1.00 0.00 N ATOM 383 CA ILE A 111 -4.081 4.166 -9.033 1.00 0.00 C ATOM 384 C ILE A 111 -5.299 4.806 -8.376 1.00 0.00 C ATOM 385 O ILE A 111 -5.720 5.899 -8.757 1.00 0.00 O ATOM 386 CB ILE A 111 -4.532 3.399 -10.289 1.00 0.00 C ATOM 387 CG1 ILE A 111 -5.066 4.371 -11.342 1.00 0.00 C ATOM 388 CG2 ILE A 111 -5.591 2.367 -9.927 1.00 0.00 C ATOM 389 CD1 ILE A 111 -5.151 3.773 -12.729 1.00 0.00 C ATOM 0 H ILE A 111 -3.326 2.318 -8.392 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.378 4.946 -9.327 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.671 2.877 -10.707 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.057 4.712 -11.041 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.422 5.250 -11.373 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.900 1.833 -10.825 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.179 1.659 -9.208 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.453 2.869 -9.489 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.538 4.519 -13.424 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.158 3.458 -13.051 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.818 2.911 -12.713 1.00 0.00 H new ATOM 401 N ASP A 112 -5.859 4.120 -7.386 1.00 0.00 N ATOM 402 CA ASP A 112 -7.028 4.623 -6.674 1.00 0.00 C ATOM 403 C ASP A 112 -6.672 5.856 -5.848 1.00 0.00 C ATOM 404 O ASP A 112 -7.497 6.751 -5.663 1.00 0.00 O ATOM 405 CB ASP A 112 -7.606 3.536 -5.767 1.00 0.00 C ATOM 406 CG ASP A 112 -9.079 3.744 -5.478 1.00 0.00 C ATOM 407 OD1 ASP A 112 -9.698 4.601 -6.142 1.00 0.00 O ATOM 408 OD2 ASP A 112 -9.613 3.051 -4.587 1.00 0.00 O ATOM 0 H ASP A 112 -5.523 3.215 -7.058 1.00 0.00 H new ATOM 0 HA ASP A 112 -7.778 4.906 -7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.465 2.563 -6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -7.054 3.520 -4.828 1.00 0.00 H new ATOM 413 N PHE A 113 -5.439 5.895 -5.353 1.00 0.00 N ATOM 414 CA PHE A 113 -4.975 7.017 -4.546 1.00 0.00 C ATOM 415 C PHE A 113 -4.628 8.214 -5.426 1.00 0.00 C ATOM 416 O PHE A 113 -5.031 9.343 -5.146 1.00 0.00 O ATOM 417 CB PHE A 113 -3.755 6.606 -3.719 1.00 0.00 C ATOM 418 CG PHE A 113 -3.349 7.632 -2.700 1.00 0.00 C ATOM 419 CD1 PHE A 113 -2.454 8.639 -3.029 1.00 0.00 C ATOM 420 CD2 PHE A 113 -3.860 7.590 -1.413 1.00 0.00 C ATOM 421 CE1 PHE A 113 -2.079 9.585 -2.094 1.00 0.00 C ATOM 422 CE2 PHE A 113 -3.488 8.533 -0.474 1.00 0.00 C ATOM 423 CZ PHE A 113 -2.596 9.531 -0.814 1.00 0.00 C ATOM 0 H PHE A 113 -4.744 5.163 -5.497 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.782 7.307 -3.873 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.970 5.666 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -2.917 6.421 -4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.045 8.684 -4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.557 6.811 -1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.383 10.365 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.895 8.490 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.303 10.268 -0.081 1.00 0.00 H new ATOM 433 N LYS A 114 -3.877 7.959 -6.492 1.00 0.00 N ATOM 434 CA LYS A 114 -3.474 9.013 -7.415 1.00 0.00 C ATOM 435 C LYS A 114 -4.693 9.743 -7.972 1.00 0.00 C ATOM 436 O LYS A 114 -4.641 10.944 -8.239 1.00 0.00 O ATOM 437 CB LYS A 114 -2.649 8.427 -8.563 1.00 0.00 C ATOM 438 CG LYS A 114 -1.271 9.051 -8.701 1.00 0.00 C ATOM 439 CD LYS A 114 -0.889 9.242 -10.159 1.00 0.00 C ATOM 440 CE LYS A 114 0.006 8.116 -10.654 1.00 0.00 C ATOM 441 NZ LYS A 114 0.771 8.509 -11.869 1.00 0.00 N ATOM 0 H LYS A 114 -3.535 7.030 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.863 9.729 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.539 7.354 -8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.195 8.561 -9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.254 10.014 -8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -0.533 8.417 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.791 9.286 -10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.375 10.196 -10.280 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.701 7.830 -9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.602 7.239 -10.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.369 7.715 -12.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.108 8.757 -12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 1.371 9.330 -11.651 1.00 0.00 H new ATOM 455 N ARG A 115 -5.788 9.010 -8.144 1.00 0.00 N ATOM 456 CA ARG A 115 -7.019 9.588 -8.667 1.00 0.00 C ATOM 457 C ARG A 115 -7.733 10.409 -7.598 1.00 0.00 C ATOM 458 O ARG A 115 -8.336 11.440 -7.892 1.00 0.00 O ATOM 459 CB ARG A 115 -7.946 8.486 -9.183 1.00 0.00 C ATOM 460 CG ARG A 115 -8.280 8.613 -10.660 1.00 0.00 C ATOM 461 CD ARG A 115 -9.495 9.500 -10.881 1.00 0.00 C ATOM 462 NE ARG A 115 -10.726 8.871 -10.410 1.00 0.00 N ATOM 463 CZ ARG A 115 -11.356 7.906 -11.070 1.00 0.00 C ATOM 464 NH1 ARG A 115 -10.874 7.460 -12.221 1.00 0.00 N ATOM 465 NH2 ARG A 115 -12.472 7.383 -10.577 1.00 0.00 N ATOM 0 H ARG A 115 -5.847 8.015 -7.929 1.00 0.00 H new ATOM 0 HA ARG A 115 -6.757 10.250 -9.493 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.478 7.517 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.871 8.502 -8.607 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -7.424 9.026 -11.194 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.469 7.624 -11.078 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.351 10.448 -10.362 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -9.588 9.729 -11.943 1.00 0.00 H new ATOM 0 HE ARG A 115 -11.123 9.190 -9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -10.016 7.858 -12.603 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -11.361 6.719 -12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -12.846 7.722 -9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -12.955 6.642 -11.084 1.00 0.00 H new ATOM 479 N ALA A 116 -7.661 9.943 -6.356 1.00 0.00 N ATOM 480 CA ALA A 116 -8.299 10.635 -5.243 1.00 0.00 C ATOM 481 C ALA A 116 -7.673 12.007 -5.017 1.00 0.00 C ATOM 482 O ALA A 116 -8.377 12.993 -4.803 1.00 0.00 O ATOM 483 CB ALA A 116 -8.206 9.795 -3.977 1.00 0.00 C ATOM 0 H ALA A 116 -7.167 9.089 -6.095 1.00 0.00 H new ATOM 0 HA ALA A 116 -9.350 10.782 -5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -8.686 10.324 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -8.707 8.840 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -7.158 9.619 -3.733 1.00 0.00 H new ATOM 489 N GLU A 117 -6.345 12.061 -5.065 1.00 0.00 N ATOM 490 CA GLU A 117 -5.625 13.313 -4.864 1.00 0.00 C ATOM 491 C GLU A 117 -5.999 14.334 -5.936 1.00 0.00 C ATOM 492 O GLU A 117 -5.957 15.542 -5.700 1.00 0.00 O ATOM 493 CB GLU A 117 -4.115 13.068 -4.883 1.00 0.00 C ATOM 494 CG GLU A 117 -3.617 12.248 -3.704 1.00 0.00 C ATOM 495 CD GLU A 117 -2.162 12.521 -3.377 1.00 0.00 C ATOM 496 OE1 GLU A 117 -1.317 12.403 -4.289 1.00 0.00 O ATOM 497 OE2 GLU A 117 -1.868 12.852 -2.209 1.00 0.00 O ATOM 0 H GLU A 117 -5.747 11.254 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 117 -5.909 13.713 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -3.850 12.557 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -3.600 14.028 -4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.229 12.467 -2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.743 11.188 -3.924 1.00 0.00 H new ATOM 504 N LEU A 118 -6.362 13.839 -7.114 1.00 0.00 N ATOM 505 CA LEU A 118 -6.742 14.707 -8.222 1.00 0.00 C ATOM 506 C LEU A 118 -7.914 15.604 -7.835 1.00 0.00 C ATOM 507 O LEU A 118 -7.885 16.812 -8.063 1.00 0.00 O ATOM 508 CB LEU A 118 -7.110 13.869 -9.448 1.00 0.00 C ATOM 509 CG LEU A 118 -7.208 14.625 -10.773 1.00 0.00 C ATOM 510 CD1 LEU A 118 -6.968 13.685 -11.944 1.00 0.00 C ATOM 511 CD2 LEU A 118 -8.564 15.303 -10.901 1.00 0.00 C ATOM 0 H LEU A 118 -6.401 12.842 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.889 15.340 -8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.368 13.078 -9.558 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.068 13.384 -9.258 1.00 0.00 H new ATOM 0 HG LEU A 118 -6.436 15.394 -10.788 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.042 14.241 -12.878 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -5.974 13.246 -11.861 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.716 12.892 -11.934 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -8.616 15.836 -11.850 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -9.352 14.551 -10.864 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -8.697 16.008 -10.081 1.00 0.00 H new ATOM 523 N ALA A 119 -8.943 15.003 -7.247 1.00 0.00 N ATOM 524 CA ALA A 119 -10.123 15.747 -6.824 1.00 0.00 C ATOM 525 C ALA A 119 -9.829 16.582 -5.583 1.00 0.00 C ATOM 526 O ALA A 119 -10.468 17.609 -5.348 1.00 0.00 O ATOM 527 CB ALA A 119 -11.281 14.796 -6.561 1.00 0.00 C ATOM 0 H ALA A 119 -8.983 14.002 -7.053 1.00 0.00 H new ATOM 0 HA ALA A 119 -10.402 16.426 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.155 15.366 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -11.515 14.247 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.003 14.093 -5.775 1.00 0.00 H new ATOM 533 N LEU A 120 -8.860 16.136 -4.792 1.00 0.00 N ATOM 534 CA LEU A 120 -8.482 16.843 -3.573 1.00 0.00 C ATOM 535 C LEU A 120 -7.214 17.662 -3.790 1.00 0.00 C ATOM 536 O LEU A 120 -6.363 17.756 -2.905 1.00 0.00 O ATOM 537 CB LEU A 120 -8.272 15.850 -2.428 1.00 0.00 C ATOM 538 CG LEU A 120 -8.300 16.437 -1.017 1.00 0.00 C ATOM 539 CD1 LEU A 120 -9.733 16.600 -0.534 1.00 0.00 C ATOM 540 CD2 LEU A 120 -7.509 15.558 -0.058 1.00 0.00 C ATOM 0 H LEU A 120 -8.322 15.289 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 120 -9.292 17.524 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.041 15.081 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.312 15.355 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.834 17.422 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -9.732 17.019 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.269 17.270 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -10.226 15.628 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -7.540 15.991 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -7.946 14.560 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.474 15.493 -0.394 1.00 0.00 H new ATOM 552 N LYS A 121 -7.095 18.257 -4.972 1.00 0.00 N ATOM 553 CA LYS A 121 -5.933 19.072 -5.306 1.00 0.00 C ATOM 554 C LYS A 121 -6.294 20.554 -5.321 1.00 0.00 C ATOM 555 O LYS A 121 -7.166 20.982 -6.076 1.00 0.00 O ATOM 556 CB LYS A 121 -5.369 18.660 -6.666 1.00 0.00 C ATOM 557 CG LYS A 121 -3.880 18.358 -6.642 1.00 0.00 C ATOM 558 CD LYS A 121 -3.290 18.348 -8.042 1.00 0.00 C ATOM 559 CE LYS A 121 -3.071 16.929 -8.544 1.00 0.00 C ATOM 560 NZ LYS A 121 -2.333 16.906 -9.838 1.00 0.00 N ATOM 0 H LYS A 121 -7.790 18.190 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 121 -5.174 18.909 -4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.904 17.779 -7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.558 19.457 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -3.366 19.104 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -3.712 17.391 -6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -3.957 18.877 -8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -2.342 18.886 -8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -2.514 16.362 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -4.035 16.434 -8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -2.204 15.921 -10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -2.876 17.426 -10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -1.403 17.355 -9.715 1.00 0.00 H new ATOM 574 N ARG A 122 -5.618 21.332 -4.482 1.00 0.00 N ATOM 575 CA ARG A 122 -5.868 22.766 -4.400 1.00 0.00 C ATOM 576 C ARG A 122 -4.714 23.555 -5.010 1.00 0.00 C ATOM 577 O ARG A 122 -4.603 24.765 -4.813 1.00 0.00 O ATOM 578 CB ARG A 122 -6.075 23.187 -2.944 1.00 0.00 C ATOM 579 CG ARG A 122 -7.434 22.801 -2.385 1.00 0.00 C ATOM 580 CD ARG A 122 -8.527 23.732 -2.886 1.00 0.00 C ATOM 581 NE ARG A 122 -9.727 23.002 -3.288 1.00 0.00 N ATOM 582 CZ ARG A 122 -10.570 22.444 -2.427 1.00 0.00 C ATOM 583 NH1 ARG A 122 -10.347 22.532 -1.124 1.00 0.00 N ATOM 584 NH2 ARG A 122 -11.640 21.796 -2.870 1.00 0.00 N ATOM 0 H ARG A 122 -4.893 20.993 -3.849 1.00 0.00 H new ATOM 0 HA ARG A 122 -6.774 22.984 -4.966 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -5.297 22.734 -2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.953 24.267 -2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -7.668 21.776 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -7.402 22.829 -1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -8.782 24.446 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -8.153 24.308 -3.732 1.00 0.00 H new ATOM 0 HE ARG A 122 -9.928 22.916 -4.284 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -9.526 23.029 -0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -10.996 22.102 -0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -11.815 21.726 -3.872 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -12.287 21.368 -2.208 1.00 0.00 H new ATOM 598 N ALA A 123 -3.855 22.861 -5.750 1.00 0.00 N ATOM 599 CA ALA A 123 -2.710 23.497 -6.390 1.00 0.00 C ATOM 600 C ALA A 123 -3.157 24.592 -7.353 1.00 0.00 C ATOM 601 O ALA A 123 -2.479 25.607 -7.509 1.00 0.00 O ATOM 602 CB ALA A 123 -1.870 22.459 -7.119 1.00 0.00 C ATOM 0 H ALA A 123 -3.931 21.858 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 123 -2.101 23.960 -5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -1.018 22.947 -7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.512 21.715 -6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -2.477 21.969 -7.881 1.00 0.00 H new ATOM 608 N MET A 124 -4.300 24.377 -7.995 1.00 0.00 N ATOM 609 CA MET A 124 -4.836 25.347 -8.942 1.00 0.00 C ATOM 610 C MET A 124 -5.312 26.605 -8.222 1.00 0.00 C ATOM 611 O MET A 124 -5.253 27.705 -8.770 1.00 0.00 O ATOM 612 CB MET A 124 -5.991 24.732 -9.736 1.00 0.00 C ATOM 613 CG MET A 124 -5.641 24.434 -11.185 1.00 0.00 C ATOM 614 SD MET A 124 -6.059 25.794 -12.293 1.00 0.00 S ATOM 615 CE MET A 124 -7.471 25.106 -13.154 1.00 0.00 C ATOM 0 H MET A 124 -4.872 23.541 -7.877 1.00 0.00 H new ATOM 0 HA MET A 124 -4.038 25.624 -9.631 1.00 0.00 H new ATOM 0 HB2 MET A 124 -6.305 23.809 -9.249 1.00 0.00 H new ATOM 0 HB3 MET A 124 -6.843 25.412 -9.709 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.574 24.223 -11.261 1.00 0.00 H new ATOM 0 HG3 MET A 124 -6.168 23.535 -11.505 1.00 0.00 H new ATOM 0 HE1 MET A 124 -7.845 25.831 -13.877 1.00 0.00 H new ATOM 0 HE2 MET A 124 -7.172 24.196 -13.674 1.00 0.00 H new ATOM 0 HE3 MET A 124 -8.257 24.872 -12.436 1.00 0.00 H new ATOM 625 N ASN A 125 -5.783 26.434 -6.991 1.00 0.00 N ATOM 626 CA ASN A 125 -6.270 27.556 -6.197 1.00 0.00 C ATOM 627 C ASN A 125 -5.124 28.484 -5.806 1.00 0.00 C ATOM 628 O ASN A 125 -5.313 29.691 -5.653 1.00 0.00 O ATOM 629 CB ASN A 125 -6.982 27.048 -4.942 1.00 0.00 C ATOM 630 CG ASN A 125 -7.906 28.089 -4.340 1.00 0.00 C ATOM 631 OD1 ASN A 125 -9.100 28.121 -4.636 1.00 0.00 O ATOM 632 ND2 ASN A 125 -7.356 28.947 -3.488 1.00 0.00 N ATOM 0 H ASN A 125 -5.838 25.530 -6.522 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.978 28.119 -6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -7.557 26.156 -5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -6.239 26.753 -4.201 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -7.928 29.669 -3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -6.361 28.884 -3.271 1.00 0.00 H new ATOM 639 N ARG A 126 -3.935 27.911 -5.647 1.00 0.00 N ATOM 640 CA ARG A 126 -2.758 28.686 -5.272 1.00 0.00 C ATOM 641 C ARG A 126 -2.422 29.717 -6.346 1.00 0.00 C ATOM 642 O ARG A 126 -1.820 30.753 -6.060 1.00 0.00 O ATOM 643 CB ARG A 126 -1.562 27.759 -5.047 1.00 0.00 C ATOM 644 CG ARG A 126 -0.312 28.482 -4.572 1.00 0.00 C ATOM 645 CD ARG A 126 0.651 28.743 -5.721 1.00 0.00 C ATOM 646 NE ARG A 126 1.321 30.034 -5.590 1.00 0.00 N ATOM 647 CZ ARG A 126 2.327 30.421 -6.367 1.00 0.00 C ATOM 648 NH1 ARG A 126 2.776 29.622 -7.324 1.00 0.00 N ATOM 649 NH2 ARG A 126 2.885 31.612 -6.187 1.00 0.00 N ATOM 0 H ARG A 126 -3.761 26.914 -5.772 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.980 29.213 -4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.834 27.001 -4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.338 27.236 -5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -0.592 29.428 -4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.186 27.886 -3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 126 1.397 27.949 -5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 126 0.107 28.711 -6.665 1.00 0.00 H new ATOM 0 HE ARG A 126 0.999 30.673 -4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 126 2.349 28.707 -7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 126 3.548 29.922 -7.919 1.00 0.00 H new ATOM 0 HH21 ARG A 126 2.542 32.230 -5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 126 3.657 31.909 -6.784 1.00 0.00 H new ATOM 663 N LEU A 127 -2.814 29.426 -7.581 1.00 0.00 N ATOM 664 CA LEU A 127 -2.555 30.327 -8.699 1.00 0.00 C ATOM 665 C LEU A 127 -3.763 30.409 -9.624 1.00 0.00 C ATOM 666 O LEU A 127 -4.735 31.106 -9.332 1.00 0.00 O ATOM 667 CB LEU A 127 -1.328 29.858 -9.484 1.00 0.00 C ATOM 668 CG LEU A 127 -0.376 30.956 -9.960 1.00 0.00 C ATOM 669 CD1 LEU A 127 0.843 30.348 -10.636 1.00 0.00 C ATOM 670 CD2 LEU A 127 -1.092 31.909 -10.905 1.00 0.00 C ATOM 0 H LEU A 127 -3.313 28.573 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.363 31.321 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.766 29.163 -8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.670 29.299 -10.355 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.040 31.522 -9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.510 31.144 -10.968 1.00 0.00 H new ATOM 0 HD12 LEU A 127 1.369 29.706 -9.929 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.526 29.758 -11.496 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -0.400 32.684 -11.234 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.457 31.357 -11.771 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.934 32.370 -10.388 1.00 0.00 H new TER 682 LEU A 127