USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 554 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 17 CYS SG : rot 180:sc= -0.165 USER MOD Set 1.2: A 48 THR OG1 : rot 76:sc= 0.759 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 SER OG : rot -44:sc= 0.0105 USER MOD Single : A 46 MET CE :methyl -136:sc= -2.4 (180deg=-3.74!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= -1.4! USER MOD Single : A 59 SER OG : rot -25:sc= -1.84! USER MOD Single : A 70 THR OG1 : rot -140:sc= -1.86 USER MOD Single : A 79 ASN : amide:sc= -2.82 K(o=-2.8,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -3.698 10.284 -2.526 1.00 0.00 N ATOM 45 CA LEU A 4 -3.081 9.036 -2.082 1.00 0.00 C ATOM 46 C LEU A 4 -3.849 7.845 -2.643 1.00 0.00 C ATOM 47 O LEU A 4 -5.011 7.967 -3.030 1.00 0.00 O ATOM 48 CB LEU A 4 -3.078 8.951 -0.554 1.00 0.00 C ATOM 49 CG LEU A 4 -1.947 9.816 0.006 1.00 0.00 C ATOM 50 CD1 LEU A 4 -2.457 11.239 0.236 1.00 0.00 C ATOM 51 CD2 LEU A 4 -1.468 9.226 1.335 1.00 0.00 C ATOM 0 HA LEU A 4 -2.053 9.017 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.037 9.288 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.949 7.916 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.120 9.838 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.651 11.854 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.801 11.659 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.284 11.219 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.662 9.840 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.296 9.206 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.104 8.211 1.173 1.00 0.00 H new ATOM 63 N LEU A 5 -3.191 6.689 -2.687 1.00 0.00 N ATOM 64 CA LEU A 5 -3.837 5.487 -3.207 1.00 0.00 C ATOM 65 C LEU A 5 -4.496 4.702 -2.082 1.00 0.00 C ATOM 66 O LEU A 5 -4.218 4.915 -0.904 1.00 0.00 O ATOM 67 CB LEU A 5 -2.825 4.571 -3.907 1.00 0.00 C ATOM 68 CG LEU A 5 -2.498 5.084 -5.316 1.00 0.00 C ATOM 69 CD1 LEU A 5 -1.563 4.087 -6.000 1.00 0.00 C ATOM 70 CD2 LEU A 5 -3.780 5.216 -6.149 1.00 0.00 C ATOM 0 H LEU A 5 -2.229 6.559 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.589 5.813 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.911 4.515 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.227 3.560 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.024 6.062 -5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.324 4.441 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.645 3.992 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.053 3.115 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.531 5.581 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.263 4.242 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.458 5.919 -5.665 1.00 0.00 H new ATOM 82 N THR A 6 -5.373 3.782 -2.470 1.00 0.00 N ATOM 83 CA THR A 6 -6.073 2.953 -1.497 1.00 0.00 C ATOM 84 C THR A 6 -5.989 1.482 -1.891 1.00 0.00 C ATOM 85 O THR A 6 -5.466 1.130 -2.952 1.00 0.00 O ATOM 86 CB THR A 6 -7.548 3.363 -1.405 1.00 0.00 C ATOM 87 OG1 THR A 6 -7.686 4.725 -1.783 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.045 3.177 0.030 1.00 0.00 C ATOM 0 H THR A 6 -5.614 3.593 -3.443 1.00 0.00 H new ATOM 0 HA THR A 6 -5.596 3.097 -0.528 1.00 0.00 H new ATOM 0 HB THR A 6 -8.139 2.739 -2.075 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.629 4.986 -1.726 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.093 3.469 0.093 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.942 2.131 0.318 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.454 3.798 0.703 1.00 0.00 H new ATOM 96 N THR A 7 -6.521 0.625 -1.024 1.00 0.00 N ATOM 97 CA THR A 7 -6.520 -0.815 -1.276 1.00 0.00 C ATOM 98 C THR A 7 -7.223 -1.119 -2.598 1.00 0.00 C ATOM 99 O THR A 7 -6.802 -1.989 -3.361 1.00 0.00 O ATOM 100 CB THR A 7 -7.243 -1.544 -0.138 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.630 -1.206 1.099 1.00 0.00 O ATOM 102 CG2 THR A 7 -7.166 -3.058 -0.347 1.00 0.00 C ATOM 0 H THR A 7 -6.957 0.900 -0.144 1.00 0.00 H new ATOM 0 HA THR A 7 -5.487 -1.159 -1.331 1.00 0.00 H new ATOM 0 HB THR A 7 -8.290 -1.241 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.091 -1.669 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.683 -3.565 0.468 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.638 -3.319 -1.294 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.122 -3.370 -0.364 1.00 0.00 H new ATOM 110 N ASP A 8 -8.296 -0.378 -2.858 1.00 0.00 N ATOM 111 CA ASP A 8 -9.061 -0.556 -4.091 1.00 0.00 C ATOM 112 C ASP A 8 -8.167 -0.335 -5.309 1.00 0.00 C ATOM 113 O ASP A 8 -8.309 -1.005 -6.329 1.00 0.00 O ATOM 114 CB ASP A 8 -10.228 0.431 -4.142 1.00 0.00 C ATOM 115 CG ASP A 8 -11.322 -0.025 -3.184 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.240 0.316 -2.016 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.227 -0.710 -3.633 1.00 0.00 O ATOM 0 H ASP A 8 -8.655 0.347 -2.237 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.447 -1.575 -4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.886 1.430 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.621 0.493 -5.157 1.00 0.00 H new ATOM 122 N ASP A 9 -7.242 0.616 -5.187 1.00 0.00 N ATOM 123 CA ASP A 9 -6.324 0.917 -6.283 1.00 0.00 C ATOM 124 C ASP A 9 -5.397 -0.266 -6.545 1.00 0.00 C ATOM 125 O ASP A 9 -5.151 -0.634 -7.692 1.00 0.00 O ATOM 126 CB ASP A 9 -5.464 2.145 -5.960 1.00 0.00 C ATOM 127 CG ASP A 9 -4.662 2.546 -7.195 1.00 0.00 C ATOM 128 OD1 ASP A 9 -3.612 1.963 -7.410 1.00 0.00 O ATOM 129 OD2 ASP A 9 -5.110 3.430 -7.908 1.00 0.00 O ATOM 0 H ASP A 9 -7.109 1.185 -4.351 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.929 1.119 -7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.098 2.972 -5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.790 1.923 -5.133 1.00 0.00 H new ATOM 134 N LEU A 10 -4.870 -0.849 -5.469 1.00 0.00 N ATOM 135 CA LEU A 10 -3.954 -1.983 -5.608 1.00 0.00 C ATOM 136 C LEU A 10 -4.638 -3.148 -6.343 1.00 0.00 C ATOM 137 O LEU A 10 -3.996 -3.906 -7.070 1.00 0.00 O ATOM 138 CB LEU A 10 -3.411 -2.415 -4.214 1.00 0.00 C ATOM 139 CG LEU A 10 -4.170 -3.626 -3.631 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.552 -4.914 -4.174 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.061 -3.623 -2.106 1.00 0.00 C ATOM 0 H LEU A 10 -5.056 -0.563 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.101 -1.675 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.353 -2.662 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.487 -1.576 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.220 -3.565 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.084 -5.773 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.628 -4.924 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.503 -4.965 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.599 -4.480 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.012 -3.683 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.494 -2.704 -1.712 1.00 0.00 H new ATOM 153 N ARG A 11 -5.942 -3.283 -6.122 1.00 0.00 N ATOM 154 CA ARG A 11 -6.708 -4.363 -6.744 1.00 0.00 C ATOM 155 C ARG A 11 -6.847 -4.157 -8.251 1.00 0.00 C ATOM 156 O ARG A 11 -6.502 -5.032 -9.042 1.00 0.00 O ATOM 157 CB ARG A 11 -8.108 -4.444 -6.125 1.00 0.00 C ATOM 158 CG ARG A 11 -8.562 -5.909 -6.052 1.00 0.00 C ATOM 159 CD ARG A 11 -9.652 -6.168 -7.095 1.00 0.00 C ATOM 160 NE ARG A 11 -10.978 -6.012 -6.503 1.00 0.00 N ATOM 161 CZ ARG A 11 -11.727 -4.947 -6.772 1.00 0.00 C ATOM 162 NH1 ARG A 11 -11.411 -3.784 -6.271 1.00 0.00 N ATOM 163 NH2 ARG A 11 -12.779 -5.065 -7.536 1.00 0.00 N ATOM 0 H ARG A 11 -6.489 -2.665 -5.522 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.164 -5.291 -6.566 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.100 -4.006 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.813 -3.865 -6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.714 -6.571 -6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.940 -6.133 -5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.537 -5.476 -7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.544 -7.175 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.335 -6.731 -5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.590 -3.692 -5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.985 -2.967 -6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.026 -5.974 -7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.354 -4.248 -7.742 1.00 0.00 H new ATOM 177 N ARG A 12 -7.377 -3.000 -8.637 1.00 0.00 N ATOM 178 CA ARG A 12 -7.582 -2.693 -10.054 1.00 0.00 C ATOM 179 C ARG A 12 -6.275 -2.779 -10.841 1.00 0.00 C ATOM 180 O ARG A 12 -6.274 -3.086 -12.034 1.00 0.00 O ATOM 181 CB ARG A 12 -8.166 -1.288 -10.219 1.00 0.00 C ATOM 182 CG ARG A 12 -7.299 -0.278 -9.466 1.00 0.00 C ATOM 183 CD ARG A 12 -7.612 1.133 -9.965 1.00 0.00 C ATOM 184 NE ARG A 12 -8.886 1.599 -9.423 1.00 0.00 N ATOM 185 CZ ARG A 12 -9.254 2.872 -9.538 1.00 0.00 C ATOM 186 NH1 ARG A 12 -9.160 3.477 -10.691 1.00 0.00 N ATOM 187 NH2 ARG A 12 -9.708 3.516 -8.498 1.00 0.00 N ATOM 0 H ARG A 12 -7.671 -2.263 -7.996 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.279 -3.434 -10.446 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.213 -1.025 -11.276 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.187 -1.261 -9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.488 -0.347 -8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.244 -0.504 -9.618 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.814 1.814 -9.670 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.650 1.139 -11.054 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.502 0.939 -8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.804 2.973 -11.504 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.442 4.453 -10.779 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.781 3.043 -7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.990 4.492 -8.586 1.00 0.00 H new ATOM 201 N ALA A 13 -5.165 -2.498 -10.168 1.00 0.00 N ATOM 202 CA ALA A 13 -3.860 -2.540 -10.823 1.00 0.00 C ATOM 203 C ALA A 13 -3.431 -3.981 -11.078 1.00 0.00 C ATOM 204 O ALA A 13 -2.941 -4.318 -12.156 1.00 0.00 O ATOM 205 CB ALA A 13 -2.804 -1.851 -9.957 1.00 0.00 C ATOM 0 H ALA A 13 -5.140 -2.241 -9.181 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.948 -2.017 -11.775 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.838 -1.892 -10.460 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.087 -0.810 -9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.734 -2.359 -8.995 1.00 0.00 H new ATOM 211 N LEU A 14 -3.619 -4.825 -10.070 1.00 0.00 N ATOM 212 CA LEU A 14 -3.247 -6.234 -10.183 1.00 0.00 C ATOM 213 C LEU A 14 -4.187 -6.986 -11.131 1.00 0.00 C ATOM 214 O LEU A 14 -3.859 -8.071 -11.610 1.00 0.00 O ATOM 215 CB LEU A 14 -3.293 -6.902 -8.808 1.00 0.00 C ATOM 216 CG LEU A 14 -1.975 -6.649 -8.069 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.248 -6.448 -6.568 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.042 -7.849 -8.272 1.00 0.00 C ATOM 0 H LEU A 14 -4.023 -4.563 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.235 -6.275 -10.586 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.128 -6.508 -8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.460 -7.973 -8.919 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.503 -5.750 -8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.307 -6.269 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.908 -5.592 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.723 -7.341 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.103 -7.673 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.515 -8.748 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.844 -7.980 -9.336 1.00 0.00 H new ATOM 230 N VAL A 15 -5.359 -6.408 -11.392 1.00 0.00 N ATOM 231 CA VAL A 15 -6.333 -7.045 -12.276 1.00 0.00 C ATOM 232 C VAL A 15 -6.111 -6.609 -13.724 1.00 0.00 C ATOM 233 O VAL A 15 -6.401 -7.354 -14.660 1.00 0.00 O ATOM 234 CB VAL A 15 -7.760 -6.676 -11.853 1.00 0.00 C ATOM 235 CG1 VAL A 15 -8.769 -7.475 -12.683 1.00 0.00 C ATOM 236 CG2 VAL A 15 -7.958 -6.999 -10.364 1.00 0.00 C ATOM 0 H VAL A 15 -5.654 -5.510 -11.009 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.200 -8.124 -12.201 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.917 -5.610 -12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.782 -7.210 -12.379 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.635 -7.244 -13.740 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.610 -8.541 -12.522 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.973 -6.736 -10.066 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.796 -8.064 -10.198 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.246 -6.427 -9.770 1.00 0.00 H new ATOM 246 N GLU A 16 -5.599 -5.392 -13.900 1.00 0.00 N ATOM 247 CA GLU A 16 -5.347 -4.865 -15.241 1.00 0.00 C ATOM 248 C GLU A 16 -4.388 -5.770 -16.014 1.00 0.00 C ATOM 249 O GLU A 16 -4.444 -5.852 -17.240 1.00 0.00 O ATOM 250 CB GLU A 16 -4.748 -3.459 -15.159 1.00 0.00 C ATOM 251 CG GLU A 16 -5.875 -2.423 -15.152 1.00 0.00 C ATOM 252 CD GLU A 16 -5.373 -1.123 -15.770 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.836 -1.178 -16.864 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.536 -0.089 -15.141 1.00 0.00 O ATOM 0 H GLU A 16 -5.353 -4.758 -13.140 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.302 -4.827 -15.765 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.144 -3.361 -14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.085 -3.285 -16.006 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.732 -2.798 -15.712 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.214 -2.246 -14.131 1.00 0.00 H new ATOM 261 N CYS A 17 -3.505 -6.445 -15.283 1.00 0.00 N ATOM 262 CA CYS A 17 -2.536 -7.339 -15.914 1.00 0.00 C ATOM 263 C CYS A 17 -3.248 -8.473 -16.646 1.00 0.00 C ATOM 264 O CYS A 17 -2.888 -8.826 -17.770 1.00 0.00 O ATOM 265 CB CYS A 17 -1.597 -7.939 -14.864 1.00 0.00 C ATOM 266 SG CYS A 17 -0.370 -6.701 -14.376 1.00 0.00 S ATOM 0 H CYS A 17 -3.439 -6.392 -14.266 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.958 -6.753 -16.628 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.167 -8.264 -13.994 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.099 -8.821 -15.267 1.00 0.00 H new ATOM 0 HG CYS A 17 0.427 -7.208 -13.483 1.00 0.00 H new ATOM 272 N ALA A 18 -4.258 -9.042 -15.997 1.00 0.00 N ATOM 273 CA ALA A 18 -5.014 -10.140 -16.595 1.00 0.00 C ATOM 274 C ALA A 18 -6.073 -9.603 -17.555 1.00 0.00 C ATOM 275 O ALA A 18 -5.938 -9.712 -18.774 1.00 0.00 O ATOM 276 CB ALA A 18 -5.696 -10.974 -15.509 1.00 0.00 C ATOM 0 H ALA A 18 -4.571 -8.766 -15.066 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.314 -10.768 -17.147 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.255 -11.787 -15.972 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.941 -11.387 -14.840 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.379 -10.343 -14.940 1.00 0.00 H new ATOM 400 N ASP A 29 -10.987 -11.284 2.421 1.00 0.00 N ATOM 401 CA ASP A 29 -9.815 -10.455 2.146 1.00 0.00 C ATOM 402 C ASP A 29 -9.096 -10.934 0.887 1.00 0.00 C ATOM 403 O ASP A 29 -9.407 -11.992 0.339 1.00 0.00 O ATOM 404 CB ASP A 29 -8.840 -10.501 3.324 1.00 0.00 C ATOM 405 CG ASP A 29 -8.111 -9.166 3.434 1.00 0.00 C ATOM 406 OD1 ASP A 29 -8.735 -8.205 3.854 1.00 0.00 O ATOM 407 OD2 ASP A 29 -6.940 -9.123 3.096 1.00 0.00 O ATOM 0 HA ASP A 29 -10.159 -9.432 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.379 -10.710 4.248 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.122 -11.309 3.184 1.00 0.00 H new ATOM 412 N PHE A 30 -8.127 -10.142 0.439 1.00 0.00 N ATOM 413 CA PHE A 30 -7.358 -10.488 -0.753 1.00 0.00 C ATOM 414 C PHE A 30 -5.934 -9.948 -0.640 1.00 0.00 C ATOM 415 O PHE A 30 -5.311 -9.581 -1.636 1.00 0.00 O ATOM 416 CB PHE A 30 -8.038 -9.932 -2.017 1.00 0.00 C ATOM 417 CG PHE A 30 -7.959 -8.413 -2.068 1.00 0.00 C ATOM 418 CD1 PHE A 30 -8.535 -7.635 -1.054 1.00 0.00 C ATOM 419 CD2 PHE A 30 -7.313 -7.789 -3.143 1.00 0.00 C ATOM 420 CE1 PHE A 30 -8.461 -6.238 -1.117 1.00 0.00 C ATOM 421 CE2 PHE A 30 -7.242 -6.393 -3.205 1.00 0.00 C ATOM 422 CZ PHE A 30 -7.817 -5.618 -2.193 1.00 0.00 C ATOM 0 H PHE A 30 -7.856 -9.262 0.879 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.317 -11.574 -0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.562 -10.352 -2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.082 -10.244 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.036 -8.113 -0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.869 -8.387 -3.925 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.902 -5.639 -0.334 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.743 -5.914 -4.034 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.764 -4.540 -2.242 1.00 0.00 H new ATOM 432 N LEU A 31 -5.437 -9.894 0.590 1.00 0.00 N ATOM 433 CA LEU A 31 -4.093 -9.386 0.834 1.00 0.00 C ATOM 434 C LEU A 31 -3.339 -10.304 1.792 1.00 0.00 C ATOM 435 O LEU A 31 -3.098 -9.966 2.952 1.00 0.00 O ATOM 436 CB LEU A 31 -4.162 -7.973 1.421 1.00 0.00 C ATOM 437 CG LEU A 31 -4.986 -7.081 0.490 1.00 0.00 C ATOM 438 CD1 LEU A 31 -5.406 -5.810 1.229 1.00 0.00 C ATOM 439 CD2 LEU A 31 -4.143 -6.710 -0.733 1.00 0.00 C ATOM 0 H LEU A 31 -5.939 -10.193 1.426 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.560 -9.355 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.614 -8.000 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.158 -7.566 1.539 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.878 -7.619 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.992 -5.178 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.007 -6.076 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.518 -5.268 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.727 -6.074 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.250 -6.174 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.850 -7.617 -1.262 1.00 0.00 H new ATOM 451 N ASP A 32 -2.967 -11.473 1.283 1.00 0.00 N ATOM 452 CA ASP A 32 -2.235 -12.451 2.078 1.00 0.00 C ATOM 453 C ASP A 32 -1.492 -13.408 1.155 1.00 0.00 C ATOM 454 O ASP A 32 -1.992 -14.478 0.810 1.00 0.00 O ATOM 455 CB ASP A 32 -3.190 -13.251 2.967 1.00 0.00 C ATOM 456 CG ASP A 32 -3.355 -12.540 4.306 1.00 0.00 C ATOM 457 OD1 ASP A 32 -2.353 -12.123 4.861 1.00 0.00 O ATOM 458 OD2 ASP A 32 -4.483 -12.424 4.758 1.00 0.00 O ATOM 0 H ASP A 32 -3.160 -11.766 0.325 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.526 -11.918 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.158 -13.356 2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.801 -14.257 3.123 1.00 0.00 H new ATOM 463 N LEU A 33 -0.291 -12.999 0.747 1.00 0.00 N ATOM 464 CA LEU A 33 0.528 -13.813 -0.156 1.00 0.00 C ATOM 465 C LEU A 33 -0.095 -13.828 -1.549 1.00 0.00 C ATOM 466 O LEU A 33 -0.073 -14.842 -2.248 1.00 0.00 O ATOM 467 CB LEU A 33 0.661 -15.253 0.358 1.00 0.00 C ATOM 468 CG LEU A 33 1.997 -15.841 -0.097 1.00 0.00 C ATOM 469 CD1 LEU A 33 3.117 -15.331 0.812 1.00 0.00 C ATOM 470 CD2 LEU A 33 1.934 -17.367 -0.017 1.00 0.00 C ATOM 0 H LEU A 33 0.136 -12.115 1.024 1.00 0.00 H new ATOM 0 HA LEU A 33 1.523 -13.369 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.598 -15.268 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.162 -15.861 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 33 2.196 -15.536 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.069 -15.751 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.163 -14.243 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.918 -15.635 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.886 -17.788 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.735 -17.670 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.137 -17.733 -0.664 1.00 0.00 H new ATOM 482 N ARG A 34 -0.654 -12.684 -1.940 1.00 0.00 N ATOM 483 CA ARG A 34 -1.290 -12.558 -3.250 1.00 0.00 C ATOM 484 C ARG A 34 -0.235 -12.528 -4.354 1.00 0.00 C ATOM 485 O ARG A 34 -0.452 -13.041 -5.452 1.00 0.00 O ATOM 486 CB ARG A 34 -2.129 -11.275 -3.314 1.00 0.00 C ATOM 487 CG ARG A 34 -2.904 -11.225 -4.633 1.00 0.00 C ATOM 488 CD ARG A 34 -4.147 -12.109 -4.528 1.00 0.00 C ATOM 489 NE ARG A 34 -3.859 -13.459 -5.003 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.584 -14.497 -4.597 1.00 0.00 C ATOM 491 NH1 ARG A 34 -4.647 -14.791 -3.327 1.00 0.00 N ATOM 492 NH2 ARG A 34 -5.233 -15.220 -5.467 1.00 0.00 N ATOM 0 H ARG A 34 -0.680 -11.837 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.939 -13.421 -3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.822 -11.241 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.482 -10.402 -3.229 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.193 -10.198 -4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.271 -11.565 -5.452 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.487 -12.147 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.958 -11.677 -5.114 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.090 -13.608 -5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.140 -14.225 -2.647 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.203 -15.587 -3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.185 -14.989 -6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.789 -16.016 -5.155 1.00 0.00 H new ATOM 506 N PHE A 35 0.908 -11.920 -4.052 1.00 0.00 N ATOM 507 CA PHE A 35 1.993 -11.827 -5.026 1.00 0.00 C ATOM 508 C PHE A 35 2.635 -13.196 -5.251 1.00 0.00 C ATOM 509 O PHE A 35 3.182 -13.468 -6.317 1.00 0.00 O ATOM 510 CB PHE A 35 3.067 -10.848 -4.539 1.00 0.00 C ATOM 511 CG PHE A 35 2.807 -9.472 -5.110 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.560 -8.861 -4.925 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.816 -8.803 -5.814 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.325 -7.582 -5.444 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.578 -7.526 -6.333 1.00 0.00 C ATOM 516 CZ PHE A 35 2.336 -6.916 -6.148 1.00 0.00 C ATOM 0 H PHE A 35 1.107 -11.488 -3.150 1.00 0.00 H new ATOM 0 HA PHE A 35 1.569 -11.468 -5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.065 -10.805 -3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.054 -11.197 -4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.781 -9.376 -4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.778 -9.273 -5.956 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.364 -7.109 -5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.356 -7.011 -6.877 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.155 -5.929 -6.548 1.00 0.00 H new ATOM 526 N GLU A 36 2.570 -14.054 -4.235 1.00 0.00 N ATOM 527 CA GLU A 36 3.156 -15.387 -4.344 1.00 0.00 C ATOM 528 C GLU A 36 2.070 -16.421 -4.652 1.00 0.00 C ATOM 529 O GLU A 36 2.096 -17.542 -4.146 1.00 0.00 O ATOM 530 CB GLU A 36 3.874 -15.762 -3.036 1.00 0.00 C ATOM 531 CG GLU A 36 5.351 -16.059 -3.314 1.00 0.00 C ATOM 532 CD GLU A 36 5.483 -17.440 -3.948 1.00 0.00 C ATOM 533 OE1 GLU A 36 5.604 -18.402 -3.207 1.00 0.00 O ATOM 534 OE2 GLU A 36 5.461 -17.517 -5.165 1.00 0.00 O ATOM 0 H GLU A 36 2.124 -13.854 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 36 3.881 -15.380 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.788 -14.947 -2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.398 -16.634 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.766 -15.301 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.922 -16.017 -2.386 1.00 0.00 H new ATOM 541 N ASP A 37 1.115 -16.027 -5.491 1.00 0.00 N ATOM 542 CA ASP A 37 0.024 -16.924 -5.862 1.00 0.00 C ATOM 543 C ASP A 37 0.198 -17.417 -7.296 1.00 0.00 C ATOM 544 O ASP A 37 0.262 -18.619 -7.552 1.00 0.00 O ATOM 545 CB ASP A 37 -1.323 -16.208 -5.745 1.00 0.00 C ATOM 546 CG ASP A 37 -2.450 -17.234 -5.799 1.00 0.00 C ATOM 547 OD1 ASP A 37 -2.674 -17.892 -4.797 1.00 0.00 O ATOM 548 OD2 ASP A 37 -3.074 -17.344 -6.842 1.00 0.00 O ATOM 0 H ASP A 37 1.074 -15.104 -5.922 1.00 0.00 H new ATOM 0 HA ASP A 37 0.046 -17.774 -5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.370 -15.649 -4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.435 -15.486 -6.554 1.00 0.00 H new ATOM 553 N ILE A 38 0.271 -16.471 -8.228 1.00 0.00 N ATOM 554 CA ILE A 38 0.432 -16.815 -9.643 1.00 0.00 C ATOM 555 C ILE A 38 1.895 -16.699 -10.090 1.00 0.00 C ATOM 556 O ILE A 38 2.236 -17.070 -11.213 1.00 0.00 O ATOM 557 CB ILE A 38 -0.417 -15.891 -10.524 1.00 0.00 C ATOM 558 CG1 ILE A 38 -1.844 -15.809 -9.968 1.00 0.00 C ATOM 559 CG2 ILE A 38 -0.455 -16.447 -11.949 1.00 0.00 C ATOM 560 CD1 ILE A 38 -2.661 -14.803 -10.784 1.00 0.00 C ATOM 0 H ILE A 38 0.222 -15.471 -8.036 1.00 0.00 H new ATOM 0 HA ILE A 38 0.104 -17.848 -9.756 1.00 0.00 H new ATOM 0 HB ILE A 38 0.022 -14.893 -10.530 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.316 -16.791 -10.006 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.819 -15.507 -8.921 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.058 -15.793 -12.579 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.559 -16.500 -12.346 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.893 -17.445 -11.939 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.674 -14.748 -10.385 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.194 -13.820 -10.723 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.698 -15.124 -11.825 1.00 0.00 H new ATOM 572 N GLY A 39 2.756 -16.175 -9.216 1.00 0.00 N ATOM 573 CA GLY A 39 4.166 -16.014 -9.556 1.00 0.00 C ATOM 574 C GLY A 39 4.495 -14.542 -9.783 1.00 0.00 C ATOM 575 O GLY A 39 5.374 -14.200 -10.573 1.00 0.00 O ATOM 0 H GLY A 39 2.504 -15.859 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.788 -16.412 -8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.398 -16.587 -10.454 1.00 0.00 H new ATOM 579 N TYR A 40 3.773 -13.674 -9.078 1.00 0.00 N ATOM 580 CA TYR A 40 3.982 -12.235 -9.202 1.00 0.00 C ATOM 581 C TYR A 40 5.116 -11.777 -8.284 1.00 0.00 C ATOM 582 O TYR A 40 4.884 -11.171 -7.236 1.00 0.00 O ATOM 583 CB TYR A 40 2.703 -11.478 -8.828 1.00 0.00 C ATOM 584 CG TYR A 40 1.822 -11.329 -10.045 1.00 0.00 C ATOM 585 CD1 TYR A 40 0.868 -12.309 -10.348 1.00 0.00 C ATOM 586 CD2 TYR A 40 1.957 -10.205 -10.868 1.00 0.00 C ATOM 587 CE1 TYR A 40 0.051 -12.163 -11.476 1.00 0.00 C ATOM 588 CE2 TYR A 40 1.140 -10.060 -11.995 1.00 0.00 C ATOM 589 CZ TYR A 40 0.188 -11.038 -12.299 1.00 0.00 C ATOM 590 OH TYR A 40 -0.618 -10.896 -13.410 1.00 0.00 O ATOM 0 H TYR A 40 3.042 -13.941 -8.419 1.00 0.00 H new ATOM 0 HA TYR A 40 4.245 -12.020 -10.238 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.168 -12.014 -8.044 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.955 -10.496 -8.428 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.763 -13.176 -9.713 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.692 -9.449 -10.633 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.685 -12.918 -11.711 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.245 -9.193 -12.630 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.480 -11.332 -13.247 1.00 0.00 H new ATOM 600 N ASP A 41 6.350 -12.065 -8.691 1.00 0.00 N ATOM 601 CA ASP A 41 7.508 -11.663 -7.893 1.00 0.00 C ATOM 602 C ASP A 41 7.939 -10.252 -8.277 1.00 0.00 C ATOM 603 O ASP A 41 8.108 -9.382 -7.422 1.00 0.00 O ATOM 604 CB ASP A 41 8.687 -12.631 -8.082 1.00 0.00 C ATOM 605 CG ASP A 41 8.915 -12.920 -9.562 1.00 0.00 C ATOM 606 OD1 ASP A 41 8.321 -13.862 -10.060 1.00 0.00 O ATOM 607 OD2 ASP A 41 9.682 -12.196 -10.176 1.00 0.00 O ATOM 0 H ASP A 41 6.573 -12.565 -9.551 1.00 0.00 H new ATOM 0 HA ASP A 41 7.214 -11.687 -6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.590 -12.202 -7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.488 -13.562 -7.551 1.00 0.00 H new ATOM 612 N SER A 42 8.103 -10.034 -9.577 1.00 0.00 N ATOM 613 CA SER A 42 8.502 -8.717 -10.077 1.00 0.00 C ATOM 614 C SER A 42 8.554 -8.696 -11.605 1.00 0.00 C ATOM 615 O SER A 42 9.327 -7.944 -12.199 1.00 0.00 O ATOM 616 CB SER A 42 9.876 -8.337 -9.531 1.00 0.00 C ATOM 617 OG SER A 42 10.875 -9.100 -10.195 1.00 0.00 O ATOM 0 H SER A 42 7.968 -10.741 -10.299 1.00 0.00 H new ATOM 0 HA SER A 42 7.756 -7.998 -9.738 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.057 -7.272 -9.680 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.916 -8.520 -8.457 1.00 0.00 H new ATOM 0 HG SER A 42 10.584 -10.034 -10.260 1.00 0.00 H new ATOM 623 N LEU A 43 7.725 -9.523 -12.234 1.00 0.00 N ATOM 624 CA LEU A 43 7.686 -9.583 -13.692 1.00 0.00 C ATOM 625 C LEU A 43 6.628 -8.632 -14.240 1.00 0.00 C ATOM 626 O LEU A 43 6.941 -7.624 -14.873 1.00 0.00 O ATOM 627 CB LEU A 43 7.375 -11.007 -14.165 1.00 0.00 C ATOM 628 CG LEU A 43 8.683 -11.764 -14.403 1.00 0.00 C ATOM 629 CD1 LEU A 43 8.480 -13.248 -14.090 1.00 0.00 C ATOM 630 CD2 LEU A 43 9.104 -11.606 -15.867 1.00 0.00 C ATOM 0 H LEU A 43 7.077 -10.155 -11.764 1.00 0.00 H new ATOM 0 HA LEU A 43 8.666 -9.285 -14.064 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.773 -11.526 -13.419 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.788 -10.976 -15.083 1.00 0.00 H new ATOM 0 HG LEU A 43 9.459 -11.359 -13.754 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.412 -13.787 -14.260 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.179 -13.362 -13.049 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.703 -13.654 -14.738 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.036 -12.145 -16.038 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.327 -12.011 -16.515 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.250 -10.549 -16.092 1.00 0.00 H new ATOM 642 N ALA A 44 5.365 -8.976 -13.997 1.00 0.00 N ATOM 643 CA ALA A 44 4.252 -8.161 -14.476 1.00 0.00 C ATOM 644 C ALA A 44 3.920 -7.044 -13.491 1.00 0.00 C ATOM 645 O ALA A 44 3.502 -5.958 -13.888 1.00 0.00 O ATOM 646 CB ALA A 44 3.007 -9.027 -14.681 1.00 0.00 C ATOM 0 H ALA A 44 5.088 -9.808 -13.475 1.00 0.00 H new ATOM 0 HA ALA A 44 4.556 -7.718 -15.425 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.186 -8.405 -15.038 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.221 -9.803 -15.416 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.726 -9.490 -13.735 1.00 0.00 H new ATOM 652 N LEU A 45 4.103 -7.319 -12.200 1.00 0.00 N ATOM 653 CA LEU A 45 3.809 -6.315 -11.179 1.00 0.00 C ATOM 654 C LEU A 45 4.780 -5.138 -11.283 1.00 0.00 C ATOM 655 O LEU A 45 4.447 -4.008 -10.925 1.00 0.00 O ATOM 656 CB LEU A 45 3.883 -6.925 -9.769 1.00 0.00 C ATOM 657 CG LEU A 45 5.310 -7.410 -9.465 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.040 -6.354 -8.627 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.254 -8.731 -8.684 1.00 0.00 C ATOM 0 H LEU A 45 4.446 -8.210 -11.841 1.00 0.00 H new ATOM 0 HA LEU A 45 2.795 -5.955 -11.351 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.579 -6.184 -9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.185 -7.758 -9.690 1.00 0.00 H new ATOM 0 HG LEU A 45 5.844 -7.567 -10.402 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.052 -6.697 -8.411 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.085 -5.417 -9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.503 -6.197 -7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.267 -9.071 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.718 -8.577 -7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.736 -9.484 -9.279 1.00 0.00 H new ATOM 671 N MET A 46 5.984 -5.417 -11.778 1.00 0.00 N ATOM 672 CA MET A 46 6.997 -4.376 -11.927 1.00 0.00 C ATOM 673 C MET A 46 6.601 -3.390 -13.022 1.00 0.00 C ATOM 674 O MET A 46 6.740 -2.177 -12.862 1.00 0.00 O ATOM 675 CB MET A 46 8.348 -5.001 -12.286 1.00 0.00 C ATOM 676 CG MET A 46 9.440 -3.933 -12.213 1.00 0.00 C ATOM 677 SD MET A 46 10.133 -3.892 -10.541 1.00 0.00 S ATOM 678 CE MET A 46 9.968 -2.110 -10.273 1.00 0.00 C ATOM 0 H MET A 46 6.280 -6.345 -12.080 1.00 0.00 H new ATOM 0 HA MET A 46 7.076 -3.846 -10.978 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.577 -5.817 -11.601 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.308 -5.428 -13.288 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.224 -4.150 -12.938 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.028 -2.958 -12.471 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.880 -1.725 -9.818 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.801 -1.612 -11.228 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.123 -1.918 -9.611 1.00 0.00 H new ATOM 688 N GLU A 47 6.109 -3.923 -14.137 1.00 0.00 N ATOM 689 CA GLU A 47 5.698 -3.081 -15.258 1.00 0.00 C ATOM 690 C GLU A 47 4.476 -2.247 -14.884 1.00 0.00 C ATOM 691 O GLU A 47 4.332 -1.103 -15.318 1.00 0.00 O ATOM 692 CB GLU A 47 5.359 -3.942 -16.477 1.00 0.00 C ATOM 693 CG GLU A 47 6.622 -4.165 -17.312 1.00 0.00 C ATOM 694 CD GLU A 47 6.233 -4.638 -18.709 1.00 0.00 C ATOM 695 OE1 GLU A 47 5.708 -5.734 -18.816 1.00 0.00 O ATOM 696 OE2 GLU A 47 6.468 -3.899 -19.650 1.00 0.00 O ATOM 0 H GLU A 47 5.986 -4.924 -14.289 1.00 0.00 H new ATOM 0 HA GLU A 47 6.528 -2.417 -15.500 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.949 -4.899 -16.156 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.594 -3.453 -17.079 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.196 -3.240 -17.376 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.262 -4.905 -16.831 1.00 0.00 H new ATOM 703 N THR A 48 3.601 -2.831 -14.072 1.00 0.00 N ATOM 704 CA THR A 48 2.393 -2.132 -13.641 1.00 0.00 C ATOM 705 C THR A 48 2.762 -0.893 -12.832 1.00 0.00 C ATOM 706 O THR A 48 2.207 0.188 -13.030 1.00 0.00 O ATOM 707 CB THR A 48 1.521 -3.051 -12.779 1.00 0.00 C ATOM 708 OG1 THR A 48 1.295 -4.271 -13.472 1.00 0.00 O ATOM 709 CG2 THR A 48 0.183 -2.370 -12.491 1.00 0.00 C ATOM 0 H THR A 48 3.702 -3.776 -13.702 1.00 0.00 H new ATOM 0 HA THR A 48 1.836 -1.836 -14.530 1.00 0.00 H new ATOM 0 HB THR A 48 2.030 -3.255 -11.837 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.101 -4.827 -13.427 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.435 -3.026 -11.878 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.358 -1.435 -11.959 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.329 -2.163 -13.430 1.00 0.00 H new ATOM 717 N ALA A 49 3.713 -1.066 -11.919 1.00 0.00 N ATOM 718 CA ALA A 49 4.164 0.039 -11.078 1.00 0.00 C ATOM 719 C ALA A 49 5.091 0.982 -11.850 1.00 0.00 C ATOM 720 O ALA A 49 5.318 2.116 -11.434 1.00 0.00 O ATOM 721 CB ALA A 49 4.911 -0.497 -9.855 1.00 0.00 C ATOM 0 H ALA A 49 4.184 -1.954 -11.743 1.00 0.00 H new ATOM 0 HA ALA A 49 3.280 0.592 -10.762 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.242 0.337 -9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.247 -1.138 -9.275 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.777 -1.073 -10.181 1.00 0.00 H new ATOM 727 N ALA A 50 5.632 0.505 -12.973 1.00 0.00 N ATOM 728 CA ALA A 50 6.536 1.324 -13.778 1.00 0.00 C ATOM 729 C ALA A 50 5.755 2.365 -14.575 1.00 0.00 C ATOM 730 O ALA A 50 6.248 3.462 -14.842 1.00 0.00 O ATOM 731 CB ALA A 50 7.330 0.447 -14.748 1.00 0.00 C ATOM 0 H ALA A 50 5.462 -0.431 -13.341 1.00 0.00 H new ATOM 0 HA ALA A 50 7.222 1.830 -13.099 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.998 1.072 -15.340 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.916 -0.279 -14.185 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.642 -0.078 -15.411 1.00 0.00 H new ATOM 737 N ARG A 51 4.533 2.008 -14.960 1.00 0.00 N ATOM 738 CA ARG A 51 3.691 2.918 -15.734 1.00 0.00 C ATOM 739 C ARG A 51 2.832 3.784 -14.814 1.00 0.00 C ATOM 740 O ARG A 51 2.491 4.919 -15.148 1.00 0.00 O ATOM 741 CB ARG A 51 2.775 2.126 -16.670 1.00 0.00 C ATOM 742 CG ARG A 51 2.112 3.080 -17.664 1.00 0.00 C ATOM 743 CD ARG A 51 1.266 2.276 -18.653 1.00 0.00 C ATOM 744 NE ARG A 51 0.212 3.109 -19.225 1.00 0.00 N ATOM 745 CZ ARG A 51 0.471 3.959 -20.214 1.00 0.00 C ATOM 746 NH1 ARG A 51 0.381 3.565 -21.455 1.00 0.00 N ATOM 747 NH2 ARG A 51 0.813 5.189 -19.944 1.00 0.00 N ATOM 0 H ARG A 51 4.106 1.105 -14.752 1.00 0.00 H new ATOM 0 HA ARG A 51 4.348 3.562 -16.318 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.350 1.370 -17.204 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.015 1.600 -16.093 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.487 3.798 -17.134 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.871 3.651 -18.198 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.900 1.886 -19.449 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.824 1.417 -18.148 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.738 3.038 -18.860 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.112 2.604 -21.667 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.580 4.218 -22.213 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.882 5.498 -18.974 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.012 5.841 -20.703 1.00 0.00 H new ATOM 761 N LEU A 52 2.477 3.231 -13.657 1.00 0.00 N ATOM 762 CA LEU A 52 1.644 3.957 -12.697 1.00 0.00 C ATOM 763 C LEU A 52 2.475 4.929 -11.857 1.00 0.00 C ATOM 764 O LEU A 52 1.949 5.902 -11.319 1.00 0.00 O ATOM 765 CB LEU A 52 0.938 2.973 -11.760 1.00 0.00 C ATOM 766 CG LEU A 52 -0.330 3.618 -11.201 1.00 0.00 C ATOM 767 CD1 LEU A 52 -1.472 3.454 -12.205 1.00 0.00 C ATOM 768 CD2 LEU A 52 -0.710 2.935 -9.885 1.00 0.00 C ATOM 0 H LEU A 52 2.748 2.293 -13.362 1.00 0.00 H new ATOM 0 HA LEU A 52 0.909 4.525 -13.267 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.686 2.059 -12.298 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.604 2.690 -10.945 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.150 4.678 -11.024 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.376 3.914 -11.806 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.203 3.937 -13.144 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.652 2.394 -12.381 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.614 3.394 -9.485 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.890 1.875 -10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.103 3.049 -9.168 1.00 0.00 H new ATOM 780 N GLU A 53 3.772 4.653 -11.738 1.00 0.00 N ATOM 781 CA GLU A 53 4.653 5.513 -10.946 1.00 0.00 C ATOM 782 C GLU A 53 4.889 6.853 -11.644 1.00 0.00 C ATOM 783 O GLU A 53 4.992 7.895 -10.997 1.00 0.00 O ATOM 784 CB GLU A 53 6.003 4.824 -10.705 1.00 0.00 C ATOM 785 CG GLU A 53 6.695 4.537 -12.043 1.00 0.00 C ATOM 786 CD GLU A 53 7.999 3.789 -11.793 1.00 0.00 C ATOM 787 OE1 GLU A 53 7.965 2.802 -11.077 1.00 0.00 O ATOM 788 OE2 GLU A 53 9.013 4.212 -12.324 1.00 0.00 O ATOM 0 H GLU A 53 4.233 3.853 -12.172 1.00 0.00 H new ATOM 0 HA GLU A 53 4.162 5.695 -9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.638 5.458 -10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.853 3.893 -10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.041 3.945 -12.683 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.894 5.471 -12.569 1.00 0.00 H new ATOM 795 N SER A 54 4.986 6.812 -12.970 1.00 0.00 N ATOM 796 CA SER A 54 5.225 8.029 -13.744 1.00 0.00 C ATOM 797 C SER A 54 3.955 8.868 -13.850 1.00 0.00 C ATOM 798 O SER A 54 3.996 10.094 -13.748 1.00 0.00 O ATOM 799 CB SER A 54 5.709 7.678 -15.151 1.00 0.00 C ATOM 800 OG SER A 54 6.513 8.740 -15.648 1.00 0.00 O ATOM 0 H SER A 54 4.904 5.961 -13.527 1.00 0.00 H new ATOM 0 HA SER A 54 5.990 8.606 -13.225 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.282 6.751 -15.131 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.857 7.512 -15.810 1.00 0.00 H new ATOM 0 HG SER A 54 6.827 8.518 -16.549 1.00 0.00 H new ATOM 806 N ARG A 55 2.828 8.198 -14.066 1.00 0.00 N ATOM 807 CA ARG A 55 1.551 8.897 -14.195 1.00 0.00 C ATOM 808 C ARG A 55 1.226 9.677 -12.923 1.00 0.00 C ATOM 809 O ARG A 55 0.903 10.865 -12.973 1.00 0.00 O ATOM 810 CB ARG A 55 0.421 7.904 -14.473 1.00 0.00 C ATOM 811 CG ARG A 55 -0.852 8.670 -14.833 1.00 0.00 C ATOM 812 CD ARG A 55 -2.013 7.689 -14.999 1.00 0.00 C ATOM 813 NE ARG A 55 -3.233 8.396 -15.379 1.00 0.00 N ATOM 814 CZ ARG A 55 -3.788 9.289 -14.565 1.00 0.00 C ATOM 815 NH1 ARG A 55 -4.258 8.912 -13.407 1.00 0.00 N ATOM 816 NH2 ARG A 55 -3.862 10.542 -14.924 1.00 0.00 N ATOM 0 H ARG A 55 2.770 7.184 -14.155 1.00 0.00 H new ATOM 0 HA ARG A 55 1.639 9.593 -15.029 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.700 7.238 -15.289 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.247 7.280 -13.597 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.085 9.395 -14.053 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.702 9.231 -15.756 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.764 6.948 -15.759 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.175 7.148 -14.067 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.666 8.202 -16.282 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.199 7.933 -13.127 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.684 9.597 -12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.494 10.836 -15.829 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.288 11.227 -14.300 1.00 0.00 H new ATOM 830 N TYR A 56 1.307 8.997 -11.785 1.00 0.00 N ATOM 831 CA TYR A 56 1.010 9.637 -10.505 1.00 0.00 C ATOM 832 C TYR A 56 2.018 10.741 -10.206 1.00 0.00 C ATOM 833 O TYR A 56 1.656 11.912 -10.086 1.00 0.00 O ATOM 834 CB TYR A 56 1.032 8.607 -9.374 1.00 0.00 C ATOM 835 CG TYR A 56 -0.310 7.916 -9.305 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.822 7.271 -10.438 1.00 0.00 C ATOM 837 CD2 TYR A 56 -1.046 7.925 -8.113 1.00 0.00 C ATOM 838 CE1 TYR A 56 -2.067 6.634 -10.379 1.00 0.00 C ATOM 839 CE2 TYR A 56 -2.289 7.290 -8.056 1.00 0.00 C ATOM 840 CZ TYR A 56 -2.801 6.643 -9.186 1.00 0.00 C ATOM 841 OH TYR A 56 -4.028 6.016 -9.127 1.00 0.00 O ATOM 0 H TYR A 56 1.572 8.014 -11.720 1.00 0.00 H new ATOM 0 HA TYR A 56 0.014 10.075 -10.573 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.822 7.876 -9.547 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.252 9.096 -8.425 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.256 7.265 -11.358 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.653 8.422 -7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.461 6.136 -11.252 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.856 7.299 -7.137 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.039 5.260 -9.751 1.00 0.00 H new ATOM 851 N GLY A 57 3.290 10.364 -10.089 1.00 0.00 N ATOM 852 CA GLY A 57 4.334 11.346 -9.807 1.00 0.00 C ATOM 853 C GLY A 57 5.629 10.668 -9.373 1.00 0.00 C ATOM 854 O GLY A 57 6.530 10.441 -10.181 1.00 0.00 O ATOM 0 H GLY A 57 3.618 9.403 -10.183 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.517 11.950 -10.695 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.996 12.025 -9.024 1.00 0.00 H new ATOM 858 N VAL A 58 5.716 10.354 -8.082 1.00 0.00 N ATOM 859 CA VAL A 58 6.906 9.712 -7.537 1.00 0.00 C ATOM 860 C VAL A 58 7.159 8.371 -8.226 1.00 0.00 C ATOM 861 O VAL A 58 6.247 7.756 -8.777 1.00 0.00 O ATOM 862 CB VAL A 58 6.741 9.505 -6.027 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.545 8.588 -5.754 1.00 0.00 C ATOM 864 CG2 VAL A 58 8.008 8.880 -5.443 1.00 0.00 C ATOM 0 H VAL A 58 4.980 10.533 -7.399 1.00 0.00 H new ATOM 0 HA VAL A 58 7.764 10.359 -7.719 1.00 0.00 H new ATOM 0 HB VAL A 58 6.568 10.473 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.434 8.445 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.639 9.042 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.710 7.623 -6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.882 8.737 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.191 7.917 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.856 9.541 -5.623 1.00 0.00 H new ATOM 874 N SER A 59 8.413 7.934 -8.177 1.00 0.00 N ATOM 875 CA SER A 59 8.800 6.666 -8.796 1.00 0.00 C ATOM 876 C SER A 59 10.185 6.236 -8.320 1.00 0.00 C ATOM 877 O SER A 59 11.192 6.847 -8.678 1.00 0.00 O ATOM 878 CB SER A 59 8.836 6.803 -10.320 1.00 0.00 C ATOM 879 OG SER A 59 7.614 7.362 -10.781 1.00 0.00 O ATOM 0 H SER A 59 9.176 8.433 -7.719 1.00 0.00 H new ATOM 0 HA SER A 59 8.061 5.918 -8.507 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.672 7.436 -10.618 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.996 5.827 -10.779 1.00 0.00 H new ATOM 0 HG SER A 59 6.903 7.173 -10.134 1.00 0.00 H new ATOM 885 N ILE A 60 10.232 5.171 -7.520 1.00 0.00 N ATOM 886 CA ILE A 60 11.514 4.675 -7.026 1.00 0.00 C ATOM 887 C ILE A 60 11.419 3.207 -6.554 1.00 0.00 C ATOM 888 O ILE A 60 11.800 2.893 -5.425 1.00 0.00 O ATOM 889 CB ILE A 60 12.008 5.569 -5.875 1.00 0.00 C ATOM 890 CG1 ILE A 60 13.400 5.114 -5.423 1.00 0.00 C ATOM 891 CG2 ILE A 60 11.035 5.488 -4.695 1.00 0.00 C ATOM 892 CD1 ILE A 60 14.200 6.322 -4.935 1.00 0.00 C ATOM 0 H ILE A 60 9.416 4.646 -7.206 1.00 0.00 H new ATOM 0 HA ILE A 60 12.226 4.709 -7.850 1.00 0.00 H new ATOM 0 HB ILE A 60 12.061 6.599 -6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 60 13.312 4.377 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 60 13.921 4.629 -6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.392 6.124 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.049 5.825 -5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.971 4.457 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 60 15.190 5.997 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 60 14.300 7.044 -5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 60 13.681 6.788 -4.097 1.00 0.00 H new ATOM 904 N PRO A 61 10.935 2.279 -7.405 1.00 0.00 N ATOM 905 CA PRO A 61 10.846 0.856 -7.024 1.00 0.00 C ATOM 906 C PRO A 61 12.145 0.107 -7.322 1.00 0.00 C ATOM 907 O PRO A 61 12.271 -0.557 -8.352 1.00 0.00 O ATOM 908 CB PRO A 61 9.732 0.353 -7.931 1.00 0.00 C ATOM 909 CG PRO A 61 9.691 1.277 -9.144 1.00 0.00 C ATOM 910 CD PRO A 61 10.444 2.562 -8.775 1.00 0.00 C ATOM 0 HA PRO A 61 10.665 0.710 -5.959 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.919 -0.676 -8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.776 0.361 -7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.153 0.797 -10.007 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.661 1.503 -9.419 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.264 2.761 -9.465 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.790 3.434 -8.797 1.00 0.00 H new ATOM 918 N ASP A 62 13.123 0.240 -6.430 1.00 0.00 N ATOM 919 CA ASP A 62 14.414 -0.412 -6.645 1.00 0.00 C ATOM 920 C ASP A 62 14.562 -1.702 -5.826 1.00 0.00 C ATOM 921 O ASP A 62 14.363 -2.800 -6.345 1.00 0.00 O ATOM 922 CB ASP A 62 15.560 0.548 -6.306 1.00 0.00 C ATOM 923 CG ASP A 62 15.851 1.440 -7.507 1.00 0.00 C ATOM 924 OD1 ASP A 62 16.316 0.921 -8.509 1.00 0.00 O ATOM 925 OD2 ASP A 62 15.606 2.631 -7.408 1.00 0.00 O ATOM 0 H ASP A 62 13.051 0.781 -5.568 1.00 0.00 H new ATOM 0 HA ASP A 62 14.460 -0.683 -7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.294 1.158 -5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 62 16.452 -0.016 -6.034 1.00 0.00 H new ATOM 930 N ASP A 63 14.950 -1.564 -4.556 1.00 0.00 N ATOM 931 CA ASP A 63 15.161 -2.733 -3.701 1.00 0.00 C ATOM 932 C ASP A 63 13.844 -3.318 -3.196 1.00 0.00 C ATOM 933 O ASP A 63 13.466 -4.429 -3.564 1.00 0.00 O ATOM 934 CB ASP A 63 16.034 -2.362 -2.498 1.00 0.00 C ATOM 935 CG ASP A 63 16.894 -3.558 -2.102 1.00 0.00 C ATOM 936 OD1 ASP A 63 16.326 -4.578 -1.750 1.00 0.00 O ATOM 937 OD2 ASP A 63 18.105 -3.435 -2.156 1.00 0.00 O ATOM 0 H ASP A 63 15.122 -0.667 -4.102 1.00 0.00 H new ATOM 0 HA ASP A 63 15.661 -3.486 -4.310 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.669 -1.511 -2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.406 -2.059 -1.660 1.00 0.00 H new ATOM 942 N VAL A 64 13.157 -2.569 -2.333 1.00 0.00 N ATOM 943 CA VAL A 64 11.888 -3.031 -1.759 1.00 0.00 C ATOM 944 C VAL A 64 10.923 -3.509 -2.849 1.00 0.00 C ATOM 945 O VAL A 64 10.272 -4.545 -2.712 1.00 0.00 O ATOM 946 CB VAL A 64 11.240 -1.902 -0.941 1.00 0.00 C ATOM 947 CG1 VAL A 64 10.878 -0.725 -1.852 1.00 0.00 C ATOM 948 CG2 VAL A 64 9.977 -2.425 -0.248 1.00 0.00 C ATOM 0 H VAL A 64 13.453 -1.646 -2.016 1.00 0.00 H new ATOM 0 HA VAL A 64 12.102 -3.876 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 64 11.952 -1.560 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.420 0.067 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.780 -0.344 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.176 -1.059 -2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.521 -1.622 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.270 -2.778 -0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.241 -3.247 0.417 1.00 0.00 H new ATOM 958 N ALA A 65 10.845 -2.742 -3.927 1.00 0.00 N ATOM 959 CA ALA A 65 9.963 -3.090 -5.037 1.00 0.00 C ATOM 960 C ALA A 65 10.429 -4.378 -5.710 1.00 0.00 C ATOM 961 O ALA A 65 9.641 -5.291 -5.953 1.00 0.00 O ATOM 962 CB ALA A 65 9.954 -1.972 -6.077 1.00 0.00 C ATOM 0 H ALA A 65 11.376 -1.881 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 65 8.960 -3.231 -4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.292 -2.245 -6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.600 -1.050 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.964 -1.822 -6.459 1.00 0.00 H new ATOM 968 N GLY A 66 11.723 -4.432 -6.013 1.00 0.00 N ATOM 969 CA GLY A 66 12.301 -5.603 -6.669 1.00 0.00 C ATOM 970 C GLY A 66 12.047 -6.884 -5.875 1.00 0.00 C ATOM 971 O GLY A 66 12.096 -7.985 -6.424 1.00 0.00 O ATOM 0 H GLY A 66 12.388 -3.684 -5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.878 -5.705 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.374 -5.458 -6.791 1.00 0.00 H new ATOM 975 N ARG A 67 11.783 -6.740 -4.576 1.00 0.00 N ATOM 976 CA ARG A 67 11.535 -7.907 -3.733 1.00 0.00 C ATOM 977 C ARG A 67 10.174 -7.808 -3.041 1.00 0.00 C ATOM 978 O ARG A 67 10.062 -7.982 -1.826 1.00 0.00 O ATOM 979 CB ARG A 67 12.643 -8.052 -2.676 1.00 0.00 C ATOM 980 CG ARG A 67 12.658 -6.831 -1.749 1.00 0.00 C ATOM 981 CD ARG A 67 14.054 -6.665 -1.145 1.00 0.00 C ATOM 982 NE ARG A 67 13.997 -5.860 0.073 1.00 0.00 N ATOM 983 CZ ARG A 67 14.351 -6.369 1.250 1.00 0.00 C ATOM 984 NH1 ARG A 67 13.764 -7.445 1.699 1.00 0.00 N ATOM 985 NH2 ARG A 67 15.284 -5.792 1.957 1.00 0.00 N ATOM 0 H ARG A 67 11.736 -5.843 -4.092 1.00 0.00 H new ATOM 0 HA ARG A 67 11.534 -8.787 -4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.482 -8.958 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.611 -8.157 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.382 -5.935 -2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.920 -6.954 -0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.477 -7.644 -0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.715 -6.190 -1.870 1.00 0.00 H new ATOM 0 HE ARG A 67 13.681 -4.892 0.020 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.034 -7.896 1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.035 -7.835 2.601 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.742 -4.950 1.607 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.555 -6.183 2.859 1.00 0.00 H new ATOM 999 N VAL A 68 9.133 -7.535 -3.826 1.00 0.00 N ATOM 1000 CA VAL A 68 7.789 -7.429 -3.264 1.00 0.00 C ATOM 1001 C VAL A 68 7.052 -8.764 -3.404 1.00 0.00 C ATOM 1002 O VAL A 68 6.731 -9.205 -4.507 1.00 0.00 O ATOM 1003 CB VAL A 68 6.992 -6.295 -3.942 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.668 -6.637 -5.404 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.688 -6.072 -3.176 1.00 0.00 C ATOM 0 H VAL A 68 9.191 -7.386 -4.833 1.00 0.00 H new ATOM 0 HA VAL A 68 7.879 -7.187 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 68 7.601 -5.391 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.106 -5.818 -5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.595 -6.787 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.072 -7.549 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.120 -5.272 -3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.099 -6.989 -3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.914 -5.796 -2.146 1.00 0.00 H new ATOM 1015 N ASP A 69 6.800 -9.410 -2.268 1.00 0.00 N ATOM 1016 CA ASP A 69 6.112 -10.699 -2.276 1.00 0.00 C ATOM 1017 C ASP A 69 4.724 -10.594 -1.641 1.00 0.00 C ATOM 1018 O ASP A 69 4.118 -11.605 -1.285 1.00 0.00 O ATOM 1019 CB ASP A 69 6.926 -11.742 -1.510 1.00 0.00 C ATOM 1020 CG ASP A 69 6.557 -13.137 -2.004 1.00 0.00 C ATOM 1021 OD1 ASP A 69 6.985 -13.490 -3.089 1.00 0.00 O ATOM 1022 OD2 ASP A 69 5.854 -13.831 -1.288 1.00 0.00 O ATOM 0 H ASP A 69 7.058 -9.068 -1.342 1.00 0.00 H new ATOM 0 HA ASP A 69 6.003 -11.002 -3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.992 -11.564 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.729 -11.659 -0.441 1.00 0.00 H new ATOM 1027 N THR A 70 4.217 -9.369 -1.508 1.00 0.00 N ATOM 1028 CA THR A 70 2.896 -9.168 -0.920 1.00 0.00 C ATOM 1029 C THR A 70 2.147 -8.061 -1.667 1.00 0.00 C ATOM 1030 O THR A 70 2.769 -7.214 -2.309 1.00 0.00 O ATOM 1031 CB THR A 70 3.018 -8.784 0.557 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.251 -8.113 0.770 1.00 0.00 O ATOM 1033 CG2 THR A 70 2.966 -10.048 1.419 1.00 0.00 C ATOM 0 H THR A 70 4.693 -8.514 -1.795 1.00 0.00 H new ATOM 0 HA THR A 70 2.342 -10.103 -1.003 1.00 0.00 H new ATOM 0 HB THR A 70 2.194 -8.125 0.832 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.641 -8.407 1.620 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.053 -9.775 2.471 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.019 -10.562 1.255 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.789 -10.708 1.146 1.00 0.00 H new ATOM 1041 N PRO A 71 0.807 -8.044 -1.594 1.00 0.00 N ATOM 1042 CA PRO A 71 0.006 -7.014 -2.278 1.00 0.00 C ATOM 1043 C PRO A 71 -0.033 -5.709 -1.490 1.00 0.00 C ATOM 1044 O PRO A 71 0.226 -4.632 -2.025 1.00 0.00 O ATOM 1045 CB PRO A 71 -1.375 -7.653 -2.329 1.00 0.00 C ATOM 1046 CG PRO A 71 -1.434 -8.669 -1.196 1.00 0.00 C ATOM 1047 CD PRO A 71 0.008 -9.035 -0.834 1.00 0.00 C ATOM 0 HA PRO A 71 0.407 -6.743 -3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.154 -6.899 -2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.541 -8.137 -3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.952 -8.252 -0.333 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.989 -9.555 -1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.186 -8.959 0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.250 -10.057 -1.126 1.00 0.00 H new ATOM 1055 N ARG A 72 -0.352 -5.828 -0.204 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.416 -4.659 0.670 1.00 0.00 C ATOM 1057 C ARG A 72 0.920 -3.912 0.687 1.00 0.00 C ATOM 1058 O ARG A 72 0.975 -2.729 1.013 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.767 -5.081 2.098 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.204 -3.855 2.901 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.689 -3.587 2.654 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.513 -4.377 3.563 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.589 -3.854 4.143 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -5.398 -3.097 3.454 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -4.835 -4.096 5.402 1.00 0.00 N ATOM 0 H ARG A 72 -0.569 -6.714 0.254 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.189 -3.997 0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.566 -5.822 2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.095 -5.551 2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.025 -4.020 3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.613 -2.987 2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.900 -2.527 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.941 -3.831 1.622 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.259 -5.346 3.757 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.205 -2.907 2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.224 -2.696 3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.202 -4.686 5.941 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.661 -3.695 5.847 1.00 0.00 H new ATOM 1079 N GLU A 73 1.997 -4.616 0.333 1.00 0.00 N ATOM 1080 CA GLU A 73 3.322 -4.001 0.313 1.00 0.00 C ATOM 1081 C GLU A 73 3.442 -3.022 -0.851 1.00 0.00 C ATOM 1082 O GLU A 73 3.969 -1.921 -0.701 1.00 0.00 O ATOM 1083 CB GLU A 73 4.409 -5.072 0.172 1.00 0.00 C ATOM 1084 CG GLU A 73 4.847 -5.548 1.559 1.00 0.00 C ATOM 1085 CD GLU A 73 5.521 -4.399 2.305 1.00 0.00 C ATOM 1086 OE1 GLU A 73 6.223 -3.635 1.665 1.00 0.00 O ATOM 1087 OE2 GLU A 73 5.322 -4.302 3.505 1.00 0.00 O ATOM 0 H GLU A 73 1.978 -5.599 0.060 1.00 0.00 H new ATOM 0 HA GLU A 73 3.455 -3.466 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.031 -5.913 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.263 -4.668 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.984 -5.904 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.535 -6.388 1.466 1.00 0.00 H new ATOM 1094 N LEU A 74 2.950 -3.439 -2.017 1.00 0.00 N ATOM 1095 CA LEU A 74 3.011 -2.591 -3.206 1.00 0.00 C ATOM 1096 C LEU A 74 2.239 -1.293 -2.976 1.00 0.00 C ATOM 1097 O LEU A 74 2.699 -0.208 -3.339 1.00 0.00 O ATOM 1098 CB LEU A 74 2.432 -3.323 -4.419 1.00 0.00 C ATOM 1099 CG LEU A 74 2.926 -2.653 -5.703 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.290 -3.229 -6.087 1.00 0.00 C ATOM 1101 CD2 LEU A 74 1.929 -2.917 -6.833 1.00 0.00 C ATOM 0 H LEU A 74 2.510 -4.348 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 74 4.057 -2.355 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.734 -4.370 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.343 -3.305 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 74 3.016 -1.579 -5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.642 -2.752 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.003 -3.043 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.199 -4.303 -6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.281 -2.440 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.839 -3.991 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.955 -2.509 -6.562 1.00 0.00 H new ATOM 1113 N LEU A 75 1.066 -1.412 -2.355 1.00 0.00 N ATOM 1114 CA LEU A 75 0.240 -0.240 -2.066 1.00 0.00 C ATOM 1115 C LEU A 75 1.006 0.729 -1.166 1.00 0.00 C ATOM 1116 O LEU A 75 1.111 1.915 -1.461 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.062 -0.669 -1.370 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.944 0.550 -1.062 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.842 0.853 -2.260 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.813 0.241 0.157 1.00 0.00 C ATOM 0 H LEU A 75 0.669 -2.299 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.004 0.257 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.607 -1.366 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.828 -1.197 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.313 1.415 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.466 1.718 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.225 1.066 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.477 -0.009 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.443 1.102 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.442 -0.623 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.175 0.024 1.013 1.00 0.00 H new ATOM 1132 N ASP A 76 1.535 0.212 -0.066 1.00 0.00 N ATOM 1133 CA ASP A 76 2.291 1.047 0.864 1.00 0.00 C ATOM 1134 C ASP A 76 3.623 1.495 0.251 1.00 0.00 C ATOM 1135 O ASP A 76 4.296 2.376 0.787 1.00 0.00 O ATOM 1136 CB ASP A 76 2.576 0.284 2.159 1.00 0.00 C ATOM 1137 CG ASP A 76 2.903 1.275 3.271 1.00 0.00 C ATOM 1138 OD1 ASP A 76 1.982 1.701 3.948 1.00 0.00 O ATOM 1139 OD2 ASP A 76 4.070 1.596 3.427 1.00 0.00 O ATOM 0 H ASP A 76 1.458 -0.768 0.204 1.00 0.00 H new ATOM 0 HA ASP A 76 1.684 1.926 1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.711 -0.318 2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.409 -0.403 2.013 1.00 0.00 H new ATOM 1144 N LEU A 77 4.005 0.881 -0.873 1.00 0.00 N ATOM 1145 CA LEU A 77 5.261 1.229 -1.533 1.00 0.00 C ATOM 1146 C LEU A 77 5.142 2.563 -2.267 1.00 0.00 C ATOM 1147 O LEU A 77 5.840 3.526 -1.949 1.00 0.00 O ATOM 1148 CB LEU A 77 5.650 0.135 -2.537 1.00 0.00 C ATOM 1149 CG LEU A 77 7.151 -0.147 -2.445 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.464 -0.813 -1.105 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.564 -1.080 -3.586 1.00 0.00 C ATOM 0 H LEU A 77 3.468 0.149 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 77 6.030 1.316 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.087 -0.776 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.391 0.449 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 77 7.702 0.790 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.533 -1.014 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.169 -0.150 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.913 -1.750 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.633 -1.282 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.012 -2.017 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.341 -0.606 -4.542 1.00 0.00 H new ATOM 1163 N ILE A 78 4.251 2.609 -3.256 1.00 0.00 N ATOM 1164 CA ILE A 78 4.058 3.833 -4.031 1.00 0.00 C ATOM 1165 C ILE A 78 3.377 4.897 -3.177 1.00 0.00 C ATOM 1166 O ILE A 78 3.783 6.057 -3.156 1.00 0.00 O ATOM 1167 CB ILE A 78 3.199 3.556 -5.269 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.786 2.371 -6.058 1.00 0.00 C ATOM 1169 CG2 ILE A 78 3.163 4.801 -6.161 1.00 0.00 C ATOM 1170 CD1 ILE A 78 5.217 2.685 -6.510 1.00 0.00 C ATOM 0 H ILE A 78 3.660 1.826 -3.536 1.00 0.00 H new ATOM 0 HA ILE A 78 5.038 4.192 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 78 2.186 3.309 -4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.783 1.475 -5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.162 2.159 -6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.551 4.601 -7.041 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.736 5.635 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.176 5.054 -6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.617 1.837 -7.066 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.211 3.568 -7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.841 2.873 -5.637 1.00 0.00 H new ATOM 1182 N ASN A 79 2.333 4.478 -2.474 1.00 0.00 N ATOM 1183 CA ASN A 79 1.575 5.378 -1.607 1.00 0.00 C ATOM 1184 C ASN A 79 2.486 6.038 -0.573 1.00 0.00 C ATOM 1185 O ASN A 79 2.273 7.185 -0.178 1.00 0.00 O ATOM 1186 CB ASN A 79 0.480 4.599 -0.876 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.596 5.554 -0.375 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.367 6.760 -0.264 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -1.770 5.082 -0.062 1.00 0.00 N ATOM 0 H ASN A 79 1.989 3.518 -2.486 1.00 0.00 H new ATOM 0 HA ASN A 79 1.130 6.151 -2.233 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.039 3.861 -1.546 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.910 4.051 -0.038 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.499 5.711 0.275 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.959 4.084 -0.154 1.00 0.00 H new ATOM 1196 N GLY A 80 3.500 5.297 -0.135 1.00 0.00 N ATOM 1197 CA GLY A 80 4.437 5.816 0.859 1.00 0.00 C ATOM 1198 C GLY A 80 5.383 6.839 0.239 1.00 0.00 C ATOM 1199 O GLY A 80 5.732 7.841 0.864 1.00 0.00 O ATOM 0 H GLY A 80 3.694 4.346 -0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.885 6.276 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.013 4.994 1.285 1.00 0.00 H new ATOM 1203 N ALA A 81 5.798 6.573 -0.997 1.00 0.00 N ATOM 1204 CA ALA A 81 6.713 7.475 -1.698 1.00 0.00 C ATOM 1205 C ALA A 81 6.107 8.871 -1.833 1.00 0.00 C ATOM 1206 O ALA A 81 6.678 9.857 -1.369 1.00 0.00 O ATOM 1207 CB ALA A 81 7.030 6.934 -3.093 1.00 0.00 C ATOM 0 H ALA A 81 5.520 5.750 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 81 7.629 7.538 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.712 7.616 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.497 5.953 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.108 6.847 -3.668 1.00 0.00 H new ATOM 1213 N LEU A 82 4.947 8.943 -2.481 1.00 0.00 N ATOM 1214 CA LEU A 82 4.273 10.225 -2.676 1.00 0.00 C ATOM 1215 C LEU A 82 3.887 10.842 -1.335 1.00 0.00 C ATOM 1216 O LEU A 82 3.812 12.063 -1.197 1.00 0.00 O ATOM 1217 CB LEU A 82 3.012 10.050 -3.527 1.00 0.00 C ATOM 1218 CG LEU A 82 2.087 9.014 -2.880 1.00 0.00 C ATOM 1219 CD1 LEU A 82 1.010 9.727 -2.059 1.00 0.00 C ATOM 1220 CD2 LEU A 82 1.417 8.173 -3.972 1.00 0.00 C ATOM 0 H LEU A 82 4.458 8.139 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 82 4.968 10.888 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.493 11.004 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.283 9.730 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 82 2.673 8.367 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.354 8.988 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.483 10.326 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.426 10.376 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.759 7.436 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.834 8.822 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.181 7.662 -4.557 1.00 0.00 H new ATOM 1232 N ALA A 83 3.644 9.985 -0.345 1.00 0.00 N ATOM 1233 CA ALA A 83 3.268 10.457 0.985 1.00 0.00 C ATOM 1234 C ALA A 83 4.374 11.327 1.576 1.00 0.00 C ATOM 1235 O ALA A 83 4.112 12.270 2.321 1.00 0.00 O ATOM 1236 CB ALA A 83 3.011 9.274 1.919 1.00 0.00 C ATOM 0 H ALA A 83 3.700 8.971 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 83 2.357 11.047 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.732 9.643 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.202 8.663 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.915 8.671 2.000 1.00 0.00 H new ATOM 1242 N GLU A 84 5.616 10.995 1.233 1.00 0.00 N ATOM 1243 CA GLU A 84 6.763 11.749 1.732 1.00 0.00 C ATOM 1244 C GLU A 84 7.252 12.739 0.677 1.00 0.00 C ATOM 1245 O GLU A 84 8.450 12.995 0.550 1.00 0.00 O ATOM 1246 CB GLU A 84 7.908 10.800 2.095 1.00 0.00 C ATOM 1247 CG GLU A 84 7.686 10.246 3.503 1.00 0.00 C ATOM 1248 CD GLU A 84 6.897 8.945 3.420 1.00 0.00 C ATOM 1249 OE1 GLU A 84 7.508 7.919 3.170 1.00 0.00 O ATOM 1250 OE2 GLU A 84 5.692 8.993 3.609 1.00 0.00 O ATOM 0 H GLU A 84 5.853 10.217 0.618 1.00 0.00 H new ATOM 0 HA GLU A 84 6.447 12.294 2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.959 9.983 1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.861 11.327 2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.645 10.072 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.146 10.973 4.110 1.00 0.00 H new ATOM 1257 N ALA A 85 6.308 13.295 -0.078 1.00 0.00 N ATOM 1258 CA ALA A 85 6.649 14.259 -1.120 1.00 0.00 C ATOM 1259 C ALA A 85 7.221 15.531 -0.504 1.00 0.00 C ATOM 1260 O ALA A 85 8.415 15.810 -0.615 1.00 0.00 O ATOM 1261 CB ALA A 85 5.410 14.616 -1.945 1.00 0.00 C ATOM 0 H ALA A 85 5.311 13.097 0.010 1.00 0.00 H new ATOM 0 HA ALA A 85 7.397 13.803 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.682 15.336 -2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.012 13.715 -2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.652 15.052 -1.294 1.00 0.00 H new ATOM 1267 N ALA A 86 6.353 16.298 0.149 1.00 0.00 N ATOM 1268 CA ALA A 86 6.780 17.542 0.784 1.00 0.00 C ATOM 1269 C ALA A 86 7.481 17.252 2.107 1.00 0.00 C ATOM 1270 O ALA A 86 8.621 17.659 2.252 1.00 0.00 O ATOM 1271 CB ALA A 86 5.576 18.450 1.046 1.00 0.00 C ATOM 1272 OXT ALA A 86 6.867 16.626 2.955 1.00 0.00 O ATOM 0 H ALA A 86 5.361 16.084 0.252 1.00 0.00 H new ATOM 0 HA ALA A 86 7.473 18.044 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.912 19.372 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.085 18.685 0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.872 17.940 1.704 1.00 0.00 H new