USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 619 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 49 TYR OH : rot 130:sc=0.000576 USER MOD Set 1.2: A 64 ASN : amide:sc= -0.301 K(o=-0.27,f=1.2) USER MOD Set 1.3: A 66 THR OG1 : rot 170:sc= 0.028 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 63 TYR OH : rot 30:sc= 0.532 USER MOD Single : A 4 SER OG : rot 31:sc= 0.0865 USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= -0.197 (180deg=-0.948!) USER MOD Single : A 11 THR OG1 : rot -29:sc= -0.632 USER MOD Single : A 12 THR OG1 : rot 40:sc= 0.414 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -147:sc= -0.139 (180deg=-1.22!) USER MOD Single : A 26 THR OG1 : rot -176:sc= -0.641 USER MOD Single : A 31 MET CE :methyl -150:sc= 0 (180deg=-1.11) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= 0.996 (180deg=0.671) USER MOD Single : A 37 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 38 THR OG1 : rot -144:sc= -0.746 USER MOD Single : A 44 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.17) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 173:sc=-0.00305 (180deg=-0.0744) USER MOD Single : A 75 THR OG1 : rot 37:sc= 0.035 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -2.921 -2.907 -1.072 1.00 0.00 N ATOM 29 CA SER A 4 -3.893 -1.890 -1.483 1.00 0.00 C ATOM 30 C SER A 4 -3.337 -1.049 -2.655 1.00 0.00 C ATOM 31 O SER A 4 -2.147 -1.132 -3.001 1.00 0.00 O ATOM 32 CB SER A 4 -4.231 -0.985 -0.275 1.00 0.00 C ATOM 33 OG SER A 4 -4.743 -1.746 0.809 1.00 0.00 O ATOM 0 HA SER A 4 -4.803 -2.382 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.336 -0.450 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.963 -0.234 -0.573 1.00 0.00 H new ATOM 0 HG SER A 4 -4.340 -2.639 0.801 1.00 0.00 H new ATOM 39 N LEU A 5 -4.219 -0.232 -3.245 1.00 0.00 N ATOM 40 CA LEU A 5 -3.913 0.615 -4.403 1.00 0.00 C ATOM 41 C LEU A 5 -4.598 1.986 -4.242 1.00 0.00 C ATOM 42 O LEU A 5 -5.745 2.074 -3.786 1.00 0.00 O ATOM 43 CB LEU A 5 -4.305 -0.115 -5.733 1.00 0.00 C ATOM 44 CG LEU A 5 -5.662 -0.914 -5.799 1.00 0.00 C ATOM 45 CD1 LEU A 5 -6.909 -0.002 -5.840 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.659 -1.878 -7.001 1.00 0.00 C ATOM 0 H LEU A 5 -5.183 -0.140 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.840 0.797 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.326 0.634 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.502 -0.811 -5.974 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.730 -1.485 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.808 -0.617 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.937 0.617 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.863 0.638 -6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.603 -2.423 -7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.537 -1.310 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.836 -2.585 -6.898 1.00 0.00 H new ATOM 58 N GLU A 6 -3.869 3.054 -4.597 1.00 0.00 N ATOM 59 CA GLU A 6 -4.312 4.442 -4.383 1.00 0.00 C ATOM 60 C GLU A 6 -5.043 4.984 -5.626 1.00 0.00 C ATOM 61 O GLU A 6 -4.423 5.248 -6.656 1.00 0.00 O ATOM 62 CB GLU A 6 -3.099 5.340 -4.031 1.00 0.00 C ATOM 63 CG GLU A 6 -3.471 6.803 -3.703 1.00 0.00 C ATOM 64 CD GLU A 6 -2.246 7.714 -3.560 1.00 0.00 C ATOM 65 OE1 GLU A 6 -1.831 8.007 -2.418 1.00 0.00 O ATOM 66 OE2 GLU A 6 -1.683 8.124 -4.600 1.00 0.00 O ATOM 0 H GLU A 6 -2.954 2.981 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.013 4.455 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.577 4.909 -3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.400 5.333 -4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.117 7.193 -4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.045 6.827 -2.777 1.00 0.00 H new ATOM 73 N ILE A 7 -6.366 5.127 -5.514 1.00 0.00 N ATOM 74 CA ILE A 7 -7.231 5.685 -6.575 1.00 0.00 C ATOM 75 C ILE A 7 -7.798 7.055 -6.139 1.00 0.00 C ATOM 76 O ILE A 7 -7.438 7.582 -5.083 1.00 0.00 O ATOM 77 CB ILE A 7 -8.423 4.712 -6.894 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.348 4.555 -5.635 1.00 0.00 C ATOM 79 CG2 ILE A 7 -7.894 3.346 -7.391 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.648 3.807 -5.873 1.00 0.00 C ATOM 0 H ILE A 7 -6.880 4.857 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.623 5.809 -7.471 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.024 5.139 -7.697 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.788 4.038 -4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.584 5.548 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.735 2.687 -7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.306 3.491 -8.297 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.268 2.896 -6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.213 3.754 -4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.237 4.331 -6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.429 2.798 -6.222 1.00 0.00 H new ATOM 92 N LYS A 8 -8.685 7.619 -6.983 1.00 0.00 N ATOM 93 CA LYS A 8 -9.414 8.870 -6.705 1.00 0.00 C ATOM 94 C LYS A 8 -10.935 8.655 -6.826 1.00 0.00 C ATOM 95 O LYS A 8 -11.381 7.732 -7.511 1.00 0.00 O ATOM 96 CB LYS A 8 -9.002 9.977 -7.699 1.00 0.00 C ATOM 97 CG LYS A 8 -7.535 10.452 -7.636 1.00 0.00 C ATOM 98 CD LYS A 8 -6.551 9.569 -8.441 1.00 0.00 C ATOM 99 CE LYS A 8 -5.222 10.295 -8.676 1.00 0.00 C ATOM 100 NZ LYS A 8 -4.254 9.494 -9.465 1.00 0.00 N ATOM 0 H LYS A 8 -8.917 7.212 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.162 9.172 -5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.201 9.619 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.647 10.840 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.479 11.474 -8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.216 10.476 -6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.370 8.638 -7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.997 9.302 -9.399 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.415 11.235 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.777 10.547 -7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.508 10.117 -9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.827 8.767 -8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.747 9.035 -10.257 1.00 0.00 H new ATOM 114 N ILE A 9 -11.718 9.514 -6.131 1.00 0.00 N ATOM 115 CA ILE A 9 -13.198 9.580 -6.269 1.00 0.00 C ATOM 116 C ILE A 9 -13.637 11.068 -6.297 1.00 0.00 C ATOM 117 O ILE A 9 -13.768 11.711 -5.249 1.00 0.00 O ATOM 118 CB ILE A 9 -14.016 8.827 -5.122 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.670 7.293 -5.001 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.541 9.004 -5.351 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.437 6.968 -4.176 1.00 0.00 C ATOM 0 H ILE A 9 -11.344 10.182 -5.458 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.432 9.060 -7.198 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.717 9.289 -4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.525 6.778 -4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.533 6.888 -6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.090 8.487 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.791 10.065 -5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.815 8.585 -6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.287 5.889 -4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.565 7.447 -4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.573 7.335 -3.159 1.00 0.00 H new ATOM 133 N ARG A 10 -13.830 11.604 -7.503 1.00 0.00 N ATOM 134 CA ARG A 10 -14.379 12.957 -7.721 1.00 0.00 C ATOM 135 C ARG A 10 -15.894 12.973 -7.401 1.00 0.00 C ATOM 136 O ARG A 10 -16.653 12.200 -7.976 1.00 0.00 O ATOM 137 CB ARG A 10 -14.121 13.383 -9.191 1.00 0.00 C ATOM 138 CG ARG A 10 -14.572 14.818 -9.555 1.00 0.00 C ATOM 139 CD ARG A 10 -14.386 15.129 -11.052 1.00 0.00 C ATOM 140 NE ARG A 10 -12.972 15.032 -11.476 1.00 0.00 N ATOM 141 CZ ARG A 10 -12.551 14.837 -12.742 1.00 0.00 C ATOM 142 NH1 ARG A 10 -13.417 14.628 -13.724 1.00 0.00 N ATOM 143 NH2 ARG A 10 -11.263 14.847 -13.021 1.00 0.00 N ATOM 0 H ARG A 10 -13.610 11.112 -8.369 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.885 13.666 -7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.054 13.293 -9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.633 12.681 -9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.621 14.945 -9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.003 15.536 -8.964 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.988 14.437 -11.642 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.757 16.132 -11.261 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.258 15.120 -10.753 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.418 14.613 -13.527 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.083 14.482 -14.677 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.581 15.003 -12.278 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.948 14.699 -13.980 1.00 0.00 H new ATOM 157 N THR A 11 -16.321 13.842 -6.471 1.00 0.00 N ATOM 158 CA THR A 11 -17.728 13.939 -6.025 1.00 0.00 C ATOM 159 C THR A 11 -18.503 15.007 -6.825 1.00 0.00 C ATOM 160 O THR A 11 -17.915 15.726 -7.640 1.00 0.00 O ATOM 161 CB THR A 11 -17.773 14.303 -4.509 1.00 0.00 C ATOM 162 OG1 THR A 11 -17.353 15.659 -4.318 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.872 13.394 -3.664 1.00 0.00 C ATOM 0 H THR A 11 -15.700 14.502 -6.003 1.00 0.00 H new ATOM 0 HA THR A 11 -18.201 12.972 -6.196 1.00 0.00 H new ATOM 0 HB THR A 11 -18.804 14.166 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.721 15.908 -5.024 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.938 13.688 -2.617 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.196 12.359 -3.772 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.840 13.488 -4.002 1.00 0.00 H new ATOM 171 N THR A 12 -19.823 15.125 -6.557 1.00 0.00 N ATOM 172 CA THR A 12 -20.676 16.194 -7.128 1.00 0.00 C ATOM 173 C THR A 12 -20.380 17.579 -6.492 1.00 0.00 C ATOM 174 O THR A 12 -20.883 18.606 -6.969 1.00 0.00 O ATOM 175 CB THR A 12 -22.197 15.829 -6.971 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.434 15.251 -5.675 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.673 14.845 -8.051 1.00 0.00 C ATOM 0 H THR A 12 -20.326 14.485 -5.942 1.00 0.00 H new ATOM 0 HA THR A 12 -20.437 16.267 -8.189 1.00 0.00 H new ATOM 0 HB THR A 12 -22.761 16.755 -7.083 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.912 15.734 -5.001 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.730 14.623 -7.901 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.532 15.290 -9.036 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.095 13.923 -7.983 1.00 0.00 H new ATOM 185 N GLU A 13 -19.571 17.596 -5.408 1.00 0.00 N ATOM 186 CA GLU A 13 -19.073 18.843 -4.780 1.00 0.00 C ATOM 187 C GLU A 13 -17.872 19.409 -5.577 1.00 0.00 C ATOM 188 O GLU A 13 -17.429 20.535 -5.326 1.00 0.00 O ATOM 189 CB GLU A 13 -18.658 18.602 -3.297 1.00 0.00 C ATOM 190 CG GLU A 13 -19.785 18.110 -2.348 1.00 0.00 C ATOM 191 CD GLU A 13 -20.136 16.612 -2.501 1.00 0.00 C ATOM 192 OE1 GLU A 13 -19.398 15.772 -1.964 1.00 0.00 O ATOM 193 OE2 GLU A 13 -21.133 16.277 -3.176 1.00 0.00 O ATOM 0 H GLU A 13 -19.245 16.748 -4.944 1.00 0.00 H new ATOM 0 HA GLU A 13 -19.886 19.569 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.850 17.870 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.254 19.532 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.484 18.297 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -20.682 18.702 -2.530 1.00 0.00 H new ATOM 200 N GLY A 14 -17.349 18.603 -6.526 1.00 0.00 N ATOM 201 CA GLY A 14 -16.241 19.016 -7.394 1.00 0.00 C ATOM 202 C GLY A 14 -14.869 18.826 -6.746 1.00 0.00 C ATOM 203 O GLY A 14 -13.885 19.438 -7.170 1.00 0.00 O ATOM 0 H GLY A 14 -17.684 17.657 -6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.281 18.444 -8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.368 20.065 -7.661 1.00 0.00 H new ATOM 207 N ARG A 15 -14.818 17.991 -5.699 1.00 0.00 N ATOM 208 CA ARG A 15 -13.568 17.646 -4.976 1.00 0.00 C ATOM 209 C ARG A 15 -13.190 16.197 -5.306 1.00 0.00 C ATOM 210 O ARG A 15 -14.069 15.385 -5.572 1.00 0.00 O ATOM 211 CB ARG A 15 -13.774 17.821 -3.447 1.00 0.00 C ATOM 212 CG ARG A 15 -14.862 16.909 -2.840 1.00 0.00 C ATOM 213 CD ARG A 15 -15.066 17.145 -1.347 1.00 0.00 C ATOM 214 NE ARG A 15 -15.485 18.526 -1.064 1.00 0.00 N ATOM 215 CZ ARG A 15 -15.555 19.076 0.158 1.00 0.00 C ATOM 216 NH1 ARG A 15 -15.264 18.364 1.239 1.00 0.00 N ATOM 217 NH2 ARG A 15 -15.923 20.339 0.288 1.00 0.00 N ATOM 0 H ARG A 15 -15.645 17.528 -5.321 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.762 18.310 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.829 17.624 -2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.034 18.860 -3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.804 17.078 -3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.589 15.867 -3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.818 16.452 -0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.139 16.930 -0.815 1.00 0.00 H new ATOM 0 HE ARG A 15 -15.742 19.111 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.983 17.388 1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.321 18.793 2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.152 20.891 -0.538 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.978 20.761 1.215 1.00 0.00 H new ATOM 231 N THR A 16 -11.893 15.872 -5.280 1.00 0.00 N ATOM 232 CA THR A 16 -11.410 14.538 -5.668 1.00 0.00 C ATOM 233 C THR A 16 -10.720 13.852 -4.472 1.00 0.00 C ATOM 234 O THR A 16 -9.724 14.353 -3.938 1.00 0.00 O ATOM 235 CB THR A 16 -10.457 14.650 -6.892 1.00 0.00 C ATOM 236 OG1 THR A 16 -11.075 15.460 -7.907 1.00 0.00 O ATOM 237 CG2 THR A 16 -10.147 13.281 -7.496 1.00 0.00 C ATOM 0 H THR A 16 -11.155 16.515 -4.994 1.00 0.00 H new ATOM 0 HA THR A 16 -12.258 13.919 -5.961 1.00 0.00 H new ATOM 0 HB THR A 16 -9.527 15.098 -6.544 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.475 15.533 -8.678 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.479 13.402 -8.348 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.668 12.652 -6.746 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.073 12.810 -7.826 1.00 0.00 H new ATOM 245 N LEU A 17 -11.286 12.708 -4.063 1.00 0.00 N ATOM 246 CA LEU A 17 -10.916 11.985 -2.835 1.00 0.00 C ATOM 247 C LEU A 17 -9.877 10.897 -3.146 1.00 0.00 C ATOM 248 O LEU A 17 -10.235 9.813 -3.624 1.00 0.00 O ATOM 249 CB LEU A 17 -12.195 11.361 -2.199 1.00 0.00 C ATOM 250 CG LEU A 17 -13.389 12.347 -1.982 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.653 11.602 -1.513 1.00 0.00 C ATOM 252 CD2 LEU A 17 -13.010 13.499 -1.018 1.00 0.00 C ATOM 0 H LEU A 17 -12.030 12.248 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.470 12.682 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.533 10.543 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.926 10.927 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.619 12.801 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.465 12.316 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.943 10.868 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.448 11.094 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.865 14.164 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.726 13.085 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.172 14.060 -1.433 1.00 0.00 H new ATOM 264 N THR A 18 -8.598 11.198 -2.891 1.00 0.00 N ATOM 265 CA THR A 18 -7.500 10.260 -3.156 1.00 0.00 C ATOM 266 C THR A 18 -7.376 9.265 -1.981 1.00 0.00 C ATOM 267 O THR A 18 -6.811 9.600 -0.935 1.00 0.00 O ATOM 268 CB THR A 18 -6.148 11.026 -3.370 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.372 12.195 -4.165 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.088 10.153 -4.064 1.00 0.00 C ATOM 0 H THR A 18 -8.297 12.090 -2.499 1.00 0.00 H new ATOM 0 HA THR A 18 -7.721 9.711 -4.071 1.00 0.00 H new ATOM 0 HB THR A 18 -5.774 11.297 -2.383 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.525 12.670 -4.294 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.170 10.727 -4.190 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.885 9.273 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.457 9.840 -5.041 1.00 0.00 H new ATOM 278 N VAL A 19 -7.948 8.058 -2.152 1.00 0.00 N ATOM 279 CA VAL A 19 -7.967 7.004 -1.110 1.00 0.00 C ATOM 280 C VAL A 19 -7.154 5.792 -1.578 1.00 0.00 C ATOM 281 O VAL A 19 -6.862 5.661 -2.766 1.00 0.00 O ATOM 282 CB VAL A 19 -9.445 6.557 -0.748 1.00 0.00 C ATOM 283 CG1 VAL A 19 -10.342 7.781 -0.431 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.084 5.662 -1.851 1.00 0.00 C ATOM 0 H VAL A 19 -8.412 7.782 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.518 7.422 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.375 5.946 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.348 7.441 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.927 8.326 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.382 8.438 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.095 5.384 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.121 6.213 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.484 4.762 -1.982 1.00 0.00 H new ATOM 294 N ASP A 20 -6.799 4.910 -0.635 1.00 0.00 N ATOM 295 CA ASP A 20 -6.148 3.622 -0.936 1.00 0.00 C ATOM 296 C ASP A 20 -7.042 2.482 -0.416 1.00 0.00 C ATOM 297 O ASP A 20 -7.447 2.469 0.753 1.00 0.00 O ATOM 298 CB ASP A 20 -4.705 3.556 -0.358 1.00 0.00 C ATOM 299 CG ASP A 20 -4.633 3.708 1.170 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.539 2.682 1.881 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.680 4.857 1.668 1.00 0.00 O ATOM 0 H ASP A 20 -6.954 5.067 0.361 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.036 3.515 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.256 2.603 -0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.104 4.340 -0.819 1.00 0.00 H new ATOM 306 N VAL A 21 -7.396 1.569 -1.330 1.00 0.00 N ATOM 307 CA VAL A 21 -8.309 0.429 -1.089 1.00 0.00 C ATOM 308 C VAL A 21 -7.753 -0.828 -1.778 1.00 0.00 C ATOM 309 O VAL A 21 -6.981 -0.728 -2.724 1.00 0.00 O ATOM 310 CB VAL A 21 -9.764 0.726 -1.636 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.531 1.726 -0.732 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.695 1.235 -3.101 1.00 0.00 C ATOM 0 H VAL A 21 -7.048 1.599 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.375 0.271 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.323 -0.209 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.525 1.901 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.623 1.312 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.985 2.669 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.703 1.435 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.106 2.151 -3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.227 0.476 -3.728 1.00 0.00 H new ATOM 322 N LYS A 22 -8.157 -2.007 -1.298 1.00 0.00 N ATOM 323 CA LYS A 22 -7.685 -3.298 -1.845 1.00 0.00 C ATOM 324 C LYS A 22 -8.488 -3.650 -3.134 1.00 0.00 C ATOM 325 O LYS A 22 -9.687 -3.368 -3.194 1.00 0.00 O ATOM 326 CB LYS A 22 -7.824 -4.393 -0.744 1.00 0.00 C ATOM 327 CG LYS A 22 -7.111 -4.035 0.586 1.00 0.00 C ATOM 328 CD LYS A 22 -7.396 -5.009 1.765 1.00 0.00 C ATOM 329 CE LYS A 22 -6.683 -6.375 1.664 1.00 0.00 C ATOM 330 NZ LYS A 22 -7.267 -7.270 0.632 1.00 0.00 N ATOM 0 H LYS A 22 -8.816 -2.102 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.634 -3.235 -2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.882 -4.562 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.417 -5.330 -1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.036 -4.007 0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.411 -3.030 0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.097 -4.527 2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.471 -5.180 1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.629 -6.211 1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.727 -6.872 2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.185 -8.259 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.270 -7.033 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.755 -7.146 -0.265 1.00 0.00 H new ATOM 344 N PRO A 23 -7.840 -4.255 -4.188 1.00 0.00 N ATOM 345 CA PRO A 23 -8.504 -4.566 -5.499 1.00 0.00 C ATOM 346 C PRO A 23 -9.649 -5.598 -5.377 1.00 0.00 C ATOM 347 O PRO A 23 -10.548 -5.655 -6.222 1.00 0.00 O ATOM 348 CB PRO A 23 -7.340 -5.121 -6.368 1.00 0.00 C ATOM 349 CG PRO A 23 -6.327 -5.618 -5.375 1.00 0.00 C ATOM 350 CD PRO A 23 -6.414 -4.678 -4.196 1.00 0.00 C ATOM 0 HA PRO A 23 -8.989 -3.686 -5.922 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.681 -5.924 -7.021 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.919 -4.346 -7.009 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.543 -6.643 -5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.325 -5.616 -5.804 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.138 -5.175 -3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.744 -3.826 -4.313 1.00 0.00 H new ATOM 358 N ASP A 24 -9.594 -6.394 -4.312 1.00 0.00 N ATOM 359 CA ASP A 24 -10.549 -7.483 -4.037 1.00 0.00 C ATOM 360 C ASP A 24 -11.829 -6.985 -3.337 1.00 0.00 C ATOM 361 O ASP A 24 -12.753 -7.783 -3.126 1.00 0.00 O ATOM 362 CB ASP A 24 -9.850 -8.575 -3.185 1.00 0.00 C ATOM 363 CG ASP A 24 -9.174 -8.008 -1.921 1.00 0.00 C ATOM 364 OD1 ASP A 24 -9.751 -8.087 -0.813 1.00 0.00 O ATOM 365 OD2 ASP A 24 -8.057 -7.458 -2.041 1.00 0.00 O ATOM 0 H ASP A 24 -8.872 -6.304 -3.597 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.863 -7.902 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.584 -9.326 -2.893 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.102 -9.081 -3.795 1.00 0.00 H new ATOM 370 N ARG A 25 -11.882 -5.679 -2.979 1.00 0.00 N ATOM 371 CA ARG A 25 -13.062 -5.071 -2.316 1.00 0.00 C ATOM 372 C ARG A 25 -14.199 -4.864 -3.328 1.00 0.00 C ATOM 373 O ARG A 25 -13.967 -4.918 -4.534 1.00 0.00 O ATOM 374 CB ARG A 25 -12.676 -3.716 -1.645 1.00 0.00 C ATOM 375 CG ARG A 25 -11.478 -3.801 -0.676 1.00 0.00 C ATOM 376 CD ARG A 25 -11.674 -4.796 0.484 1.00 0.00 C ATOM 377 NE ARG A 25 -12.600 -4.287 1.515 1.00 0.00 N ATOM 378 CZ ARG A 25 -12.294 -4.135 2.810 1.00 0.00 C ATOM 379 NH1 ARG A 25 -11.094 -4.461 3.276 1.00 0.00 N ATOM 380 NH2 ARG A 25 -13.195 -3.663 3.646 1.00 0.00 N ATOM 0 H ARG A 25 -11.117 -5.023 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.410 -5.753 -1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.445 -2.991 -2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.541 -3.335 -1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.589 -4.087 -1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.289 -2.811 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.056 -5.738 0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.708 -5.010 0.942 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.542 -4.032 1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.386 -4.835 2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.880 -4.338 4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.124 -3.414 3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.964 -3.547 4.633 1.00 0.00 H new ATOM 394 N THR A 26 -15.428 -4.645 -2.833 1.00 0.00 N ATOM 395 CA THR A 26 -16.591 -4.322 -3.689 1.00 0.00 C ATOM 396 C THR A 26 -16.702 -2.807 -3.884 1.00 0.00 C ATOM 397 O THR A 26 -16.075 -2.026 -3.153 1.00 0.00 O ATOM 398 CB THR A 26 -17.931 -4.874 -3.100 1.00 0.00 C ATOM 399 OG1 THR A 26 -18.086 -4.432 -1.744 1.00 0.00 O ATOM 400 CG2 THR A 26 -18.012 -6.409 -3.157 1.00 0.00 C ATOM 0 H THR A 26 -15.647 -4.685 -1.838 1.00 0.00 H new ATOM 0 HA THR A 26 -16.425 -4.808 -4.651 1.00 0.00 H new ATOM 0 HB THR A 26 -18.739 -4.483 -3.718 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.895 -4.831 -1.360 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.962 -6.739 -2.736 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.940 -6.739 -4.193 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.191 -6.838 -2.582 1.00 0.00 H new ATOM 408 N ILE A 27 -17.501 -2.395 -4.884 1.00 0.00 N ATOM 409 CA ILE A 27 -17.786 -0.970 -5.145 1.00 0.00 C ATOM 410 C ILE A 27 -18.550 -0.355 -3.946 1.00 0.00 C ATOM 411 O ILE A 27 -18.420 0.835 -3.674 1.00 0.00 O ATOM 412 CB ILE A 27 -18.574 -0.788 -6.496 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.779 -1.407 -7.690 1.00 0.00 C ATOM 414 CG2 ILE A 27 -18.924 0.691 -6.783 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.391 -0.821 -7.941 1.00 0.00 C ATOM 0 H ILE A 27 -17.965 -3.033 -5.530 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.842 -0.436 -5.254 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.517 -1.323 -6.385 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.674 -2.478 -7.516 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.372 -1.288 -8.597 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.467 0.760 -7.726 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.546 1.081 -5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -18.007 1.276 -6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.932 -1.325 -8.792 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.479 0.244 -8.154 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.770 -0.964 -7.056 1.00 0.00 H new ATOM 427 N GLU A 28 -19.295 -1.219 -3.207 1.00 0.00 N ATOM 428 CA GLU A 28 -19.960 -0.876 -1.923 1.00 0.00 C ATOM 429 C GLU A 28 -18.976 -0.246 -0.916 1.00 0.00 C ATOM 430 O GLU A 28 -19.311 0.735 -0.239 1.00 0.00 O ATOM 431 CB GLU A 28 -20.566 -2.149 -1.288 1.00 0.00 C ATOM 432 CG GLU A 28 -21.667 -2.824 -2.115 1.00 0.00 C ATOM 433 CD GLU A 28 -22.053 -4.221 -1.605 1.00 0.00 C ATOM 434 OE1 GLU A 28 -23.193 -4.410 -1.123 1.00 0.00 O ATOM 435 OE2 GLU A 28 -21.207 -5.137 -1.677 1.00 0.00 O ATOM 0 H GLU A 28 -19.452 -2.186 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.741 -0.149 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.765 -2.869 -1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.973 -1.891 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.552 -2.188 -2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.335 -2.904 -3.150 1.00 0.00 H new ATOM 442 N GLU A 29 -17.769 -0.848 -0.834 1.00 0.00 N ATOM 443 CA GLU A 29 -16.682 -0.382 0.049 1.00 0.00 C ATOM 444 C GLU A 29 -16.269 1.042 -0.333 1.00 0.00 C ATOM 445 O GLU A 29 -16.107 1.887 0.539 1.00 0.00 O ATOM 446 CB GLU A 29 -15.450 -1.336 -0.018 1.00 0.00 C ATOM 447 CG GLU A 29 -15.764 -2.830 0.203 1.00 0.00 C ATOM 448 CD GLU A 29 -16.457 -3.122 1.539 1.00 0.00 C ATOM 449 OE1 GLU A 29 -15.814 -2.972 2.595 1.00 0.00 O ATOM 450 OE2 GLU A 29 -17.646 -3.516 1.545 1.00 0.00 O ATOM 0 H GLU A 29 -17.523 -1.673 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.054 -0.385 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.974 -1.221 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.724 -1.019 0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.398 -3.183 -0.610 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.835 -3.399 0.153 1.00 0.00 H new ATOM 457 N LEU A 30 -16.156 1.294 -1.658 1.00 0.00 N ATOM 458 CA LEU A 30 -15.821 2.629 -2.208 1.00 0.00 C ATOM 459 C LEU A 30 -16.873 3.667 -1.815 1.00 0.00 C ATOM 460 O LEU A 30 -16.520 4.780 -1.438 1.00 0.00 O ATOM 461 CB LEU A 30 -15.706 2.587 -3.753 1.00 0.00 C ATOM 462 CG LEU A 30 -14.624 1.637 -4.337 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.639 1.651 -5.882 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.224 1.978 -3.784 1.00 0.00 C ATOM 0 H LEU A 30 -16.294 0.581 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.858 2.915 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.674 2.295 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.502 3.597 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.866 0.624 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.871 0.976 -6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.616 1.325 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.441 2.662 -6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.488 1.296 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.967 3.003 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.227 1.876 -2.699 1.00 0.00 H new ATOM 476 N MET A 31 -18.158 3.262 -1.913 1.00 0.00 N ATOM 477 CA MET A 31 -19.319 4.111 -1.574 1.00 0.00 C ATOM 478 C MET A 31 -19.273 4.557 -0.094 1.00 0.00 C ATOM 479 O MET A 31 -19.666 5.679 0.243 1.00 0.00 O ATOM 480 CB MET A 31 -20.654 3.381 -1.909 1.00 0.00 C ATOM 481 CG MET A 31 -20.755 2.856 -3.355 1.00 0.00 C ATOM 482 SD MET A 31 -22.445 2.520 -3.899 1.00 0.00 S ATOM 483 CE MET A 31 -23.024 4.168 -4.311 1.00 0.00 C ATOM 0 H MET A 31 -18.420 2.329 -2.232 1.00 0.00 H new ATOM 0 HA MET A 31 -19.270 5.012 -2.186 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.776 2.543 -1.223 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.482 4.065 -1.727 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.306 3.587 -4.028 1.00 0.00 H new ATOM 0 HG3 MET A 31 -20.168 1.941 -3.440 1.00 0.00 H new ATOM 0 HE1 MET A 31 -24.100 4.228 -4.144 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.518 4.900 -3.681 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.807 4.379 -5.358 1.00 0.00 H new ATOM 493 N GLU A 32 -18.743 3.677 0.763 1.00 0.00 N ATOM 494 CA GLU A 32 -18.531 3.971 2.191 1.00 0.00 C ATOM 495 C GLU A 32 -17.325 4.887 2.405 1.00 0.00 C ATOM 496 O GLU A 32 -17.361 5.759 3.276 1.00 0.00 O ATOM 497 CB GLU A 32 -18.338 2.661 2.969 1.00 0.00 C ATOM 498 CG GLU A 32 -19.597 1.787 3.024 1.00 0.00 C ATOM 499 CD GLU A 32 -19.419 0.530 3.874 1.00 0.00 C ATOM 500 OE1 GLU A 32 -19.180 0.663 5.093 1.00 0.00 O ATOM 501 OE2 GLU A 32 -19.527 -0.585 3.342 1.00 0.00 O ATOM 0 H GLU A 32 -18.448 2.740 0.489 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.414 4.491 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -17.530 2.091 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.024 2.895 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -20.423 2.375 3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.875 1.497 2.011 1.00 0.00 H new ATOM 508 N LYS A 33 -16.261 4.669 1.614 1.00 0.00 N ATOM 509 CA LYS A 33 -15.018 5.446 1.736 1.00 0.00 C ATOM 510 C LYS A 33 -15.255 6.911 1.357 1.00 0.00 C ATOM 511 O LYS A 33 -14.901 7.801 2.117 1.00 0.00 O ATOM 512 CB LYS A 33 -13.848 4.827 0.915 1.00 0.00 C ATOM 513 CG LYS A 33 -13.484 3.356 1.283 1.00 0.00 C ATOM 514 CD LYS A 33 -13.580 3.075 2.804 1.00 0.00 C ATOM 515 CE LYS A 33 -13.228 1.633 3.189 1.00 0.00 C ATOM 516 NZ LYS A 33 -13.374 1.412 4.657 1.00 0.00 N ATOM 0 H LYS A 33 -16.238 3.959 0.882 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.715 5.408 2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.107 4.866 -0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.962 5.448 1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.150 2.678 0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.471 3.141 0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.913 3.756 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.593 3.295 3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.875 0.942 2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.204 1.413 2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.129 0.428 4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.738 2.055 5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.357 1.599 4.940 1.00 0.00 H new ATOM 530 N LEU A 34 -15.912 7.150 0.208 1.00 0.00 N ATOM 531 CA LEU A 34 -16.261 8.516 -0.233 1.00 0.00 C ATOM 532 C LEU A 34 -17.221 9.182 0.776 1.00 0.00 C ATOM 533 O LEU A 34 -17.089 10.370 1.057 1.00 0.00 O ATOM 534 CB LEU A 34 -16.814 8.501 -1.695 1.00 0.00 C ATOM 535 CG LEU A 34 -18.059 7.586 -1.987 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.415 8.300 -1.751 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.988 6.962 -3.401 1.00 0.00 C ATOM 0 H LEU A 34 -16.213 6.416 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.360 9.129 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.076 9.524 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.006 8.192 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.012 6.777 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.231 7.612 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.481 8.621 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.487 9.169 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.865 6.336 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.962 7.755 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.087 6.354 -3.486 1.00 0.00 H new ATOM 549 N LYS A 35 -18.128 8.375 1.373 1.00 0.00 N ATOM 550 CA LYS A 35 -19.051 8.843 2.437 1.00 0.00 C ATOM 551 C LYS A 35 -18.269 9.389 3.661 1.00 0.00 C ATOM 552 O LYS A 35 -18.583 10.469 4.156 1.00 0.00 O ATOM 553 CB LYS A 35 -20.012 7.684 2.850 1.00 0.00 C ATOM 554 CG LYS A 35 -20.814 7.884 4.163 1.00 0.00 C ATOM 555 CD LYS A 35 -21.767 9.104 4.145 1.00 0.00 C ATOM 556 CE LYS A 35 -22.481 9.296 5.496 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.361 10.496 5.507 1.00 0.00 N ATOM 0 H LYS A 35 -18.242 7.390 1.135 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.647 9.667 2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.721 7.523 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.424 6.771 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.397 6.984 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.113 7.997 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.201 10.003 3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.509 8.973 3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.076 8.410 5.718 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.737 9.387 6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.520 10.801 6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.906 11.265 4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.273 10.262 5.065 1.00 0.00 H new ATOM 571 N GLU A 36 -17.241 8.655 4.120 1.00 0.00 N ATOM 572 CA GLU A 36 -16.453 9.052 5.319 1.00 0.00 C ATOM 573 C GLU A 36 -15.375 10.116 4.976 1.00 0.00 C ATOM 574 O GLU A 36 -14.777 10.705 5.883 1.00 0.00 O ATOM 575 CB GLU A 36 -15.822 7.797 5.994 1.00 0.00 C ATOM 576 CG GLU A 36 -14.818 7.026 5.118 1.00 0.00 C ATOM 577 CD GLU A 36 -14.331 5.703 5.733 1.00 0.00 C ATOM 578 OE1 GLU A 36 -13.282 5.698 6.418 1.00 0.00 O ATOM 579 OE2 GLU A 36 -14.987 4.661 5.529 1.00 0.00 O ATOM 0 H GLU A 36 -16.930 7.785 3.687 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.136 9.516 6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.319 8.109 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.623 7.118 6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.280 6.817 4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.955 7.664 4.926 1.00 0.00 H new ATOM 586 N GLN A 37 -15.142 10.352 3.667 1.00 0.00 N ATOM 587 CA GLN A 37 -14.158 11.352 3.181 1.00 0.00 C ATOM 588 C GLN A 37 -14.777 12.748 2.993 1.00 0.00 C ATOM 589 O GLN A 37 -14.144 13.745 3.343 1.00 0.00 O ATOM 590 CB GLN A 37 -13.521 10.885 1.848 1.00 0.00 C ATOM 591 CG GLN A 37 -12.569 9.681 1.960 1.00 0.00 C ATOM 592 CD GLN A 37 -11.242 10.011 2.642 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.102 9.888 3.860 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.273 10.460 1.863 1.00 0.00 N ATOM 0 H GLN A 37 -15.627 9.859 2.918 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.390 11.431 3.950 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.320 10.632 1.152 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.973 11.721 1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.066 8.886 2.516 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.368 9.293 0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.426 10.548 0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.372 10.718 2.267 1.00 0.00 H new ATOM 603 N THR A 38 -15.993 12.821 2.415 1.00 0.00 N ATOM 604 CA THR A 38 -16.644 14.116 2.065 1.00 0.00 C ATOM 605 C THR A 38 -17.972 14.324 2.828 1.00 0.00 C ATOM 606 O THR A 38 -18.405 15.468 3.014 1.00 0.00 O ATOM 607 CB THR A 38 -16.872 14.250 0.517 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.415 15.537 0.201 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.792 13.159 -0.028 1.00 0.00 C ATOM 0 H THR A 38 -16.551 12.001 2.177 1.00 0.00 H new ATOM 0 HA THR A 38 -15.956 14.902 2.377 1.00 0.00 H new ATOM 0 HB THR A 38 -15.898 14.135 0.041 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.055 15.450 -0.536 1.00 0.00 H new ATOM 0 HG21 THR A 38 -17.920 13.294 -1.102 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.351 12.181 0.165 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.763 13.223 0.463 1.00 0.00 H new ATOM 617 N GLY A 39 -18.617 13.222 3.259 1.00 0.00 N ATOM 618 CA GLY A 39 -19.822 13.293 4.113 1.00 0.00 C ATOM 619 C GLY A 39 -21.130 12.997 3.390 1.00 0.00 C ATOM 620 O GLY A 39 -22.128 12.654 4.044 1.00 0.00 O ATOM 0 H GLY A 39 -18.325 12.272 3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.710 12.588 4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.882 14.289 4.552 1.00 0.00 H new ATOM 624 N VAL A 40 -21.139 13.120 2.048 1.00 0.00 N ATOM 625 CA VAL A 40 -22.363 12.944 1.239 1.00 0.00 C ATOM 626 C VAL A 40 -22.806 11.442 1.223 1.00 0.00 C ATOM 627 O VAL A 40 -21.965 10.554 1.008 1.00 0.00 O ATOM 628 CB VAL A 40 -22.185 13.523 -0.232 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.186 12.702 -1.080 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.550 13.672 -0.948 1.00 0.00 C ATOM 0 H VAL A 40 -20.309 13.342 1.499 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.160 13.521 1.709 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.752 14.518 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.104 13.143 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.208 12.709 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.540 11.675 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.393 14.070 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -24.034 12.698 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -24.185 14.354 -0.382 1.00 0.00 H new ATOM 640 N PRO A 41 -24.121 11.132 1.542 1.00 0.00 N ATOM 641 CA PRO A 41 -24.655 9.744 1.552 1.00 0.00 C ATOM 642 C PRO A 41 -24.582 9.078 0.155 1.00 0.00 C ATOM 643 O PRO A 41 -25.091 9.644 -0.823 1.00 0.00 O ATOM 644 CB PRO A 41 -26.126 9.905 2.041 1.00 0.00 C ATOM 645 CG PRO A 41 -26.463 11.336 1.753 1.00 0.00 C ATOM 646 CD PRO A 41 -25.173 12.101 1.948 1.00 0.00 C ATOM 0 HA PRO A 41 -24.072 9.086 2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.796 9.226 1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.217 9.682 3.104 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.840 11.454 0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.240 11.699 2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.145 13.002 1.335 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.048 12.417 2.984 1.00 0.00 H new ATOM 654 N PRO A 42 -23.969 7.845 0.058 1.00 0.00 N ATOM 655 CA PRO A 42 -23.705 7.165 -1.239 1.00 0.00 C ATOM 656 C PRO A 42 -24.986 6.774 -2.006 1.00 0.00 C ATOM 657 O PRO A 42 -24.933 6.535 -3.213 1.00 0.00 O ATOM 658 CB PRO A 42 -22.904 5.907 -0.822 1.00 0.00 C ATOM 659 CG PRO A 42 -23.281 5.657 0.607 1.00 0.00 C ATOM 660 CD PRO A 42 -23.484 7.023 1.209 1.00 0.00 C ATOM 0 HA PRO A 42 -23.177 7.820 -1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -23.156 5.053 -1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.831 6.072 -0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -24.189 5.058 0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.498 5.109 1.130 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.212 7.000 2.020 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.557 7.420 1.623 1.00 0.00 H new ATOM 668 N GLU A 43 -26.123 6.715 -1.287 1.00 0.00 N ATOM 669 CA GLU A 43 -27.445 6.381 -1.865 1.00 0.00 C ATOM 670 C GLU A 43 -27.896 7.412 -2.920 1.00 0.00 C ATOM 671 O GLU A 43 -28.686 7.095 -3.821 1.00 0.00 O ATOM 672 CB GLU A 43 -28.506 6.298 -0.742 1.00 0.00 C ATOM 673 CG GLU A 43 -28.734 7.624 0.021 1.00 0.00 C ATOM 674 CD GLU A 43 -29.867 7.534 1.044 1.00 0.00 C ATOM 675 OE1 GLU A 43 -29.595 7.232 2.225 1.00 0.00 O ATOM 676 OE2 GLU A 43 -31.040 7.735 0.663 1.00 0.00 O ATOM 0 H GLU A 43 -26.154 6.898 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.347 5.416 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.452 5.975 -1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.204 5.530 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.813 7.907 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.959 8.415 -0.694 1.00 0.00 H new ATOM 683 N GLN A 44 -27.399 8.654 -2.769 1.00 0.00 N ATOM 684 CA GLN A 44 -27.720 9.776 -3.669 1.00 0.00 C ATOM 685 C GLN A 44 -26.674 9.914 -4.788 1.00 0.00 C ATOM 686 O GLN A 44 -26.722 10.880 -5.556 1.00 0.00 O ATOM 687 CB GLN A 44 -27.797 11.092 -2.855 1.00 0.00 C ATOM 688 CG GLN A 44 -28.847 11.077 -1.722 1.00 0.00 C ATOM 689 CD GLN A 44 -28.941 12.383 -0.919 1.00 0.00 C ATOM 690 OE1 GLN A 44 -30.005 12.736 -0.417 1.00 0.00 O ATOM 691 NE2 GLN A 44 -27.830 13.096 -0.766 1.00 0.00 N ATOM 0 H GLN A 44 -26.760 8.908 -2.015 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.685 9.574 -4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -26.817 11.297 -2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.024 11.913 -3.535 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -29.824 10.860 -2.153 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -28.612 10.262 -1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -26.959 12.781 -1.193 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -27.848 13.958 -0.221 1.00 0.00 H new ATOM 700 N LEU A 45 -25.720 8.957 -4.862 1.00 0.00 N ATOM 701 CA LEU A 45 -24.643 8.947 -5.877 1.00 0.00 C ATOM 702 C LEU A 45 -24.586 7.605 -6.620 1.00 0.00 C ATOM 703 O LEU A 45 -25.177 6.605 -6.196 1.00 0.00 O ATOM 704 CB LEU A 45 -23.234 9.240 -5.252 1.00 0.00 C ATOM 705 CG LEU A 45 -22.961 10.695 -4.727 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.368 11.765 -5.775 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.620 10.948 -3.354 1.00 0.00 C ATOM 0 H LEU A 45 -25.676 8.168 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.886 9.744 -6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.084 8.550 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.478 9.006 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 45 -21.885 10.786 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.165 12.759 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.794 11.616 -6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.431 11.672 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.405 11.966 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.698 10.814 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.222 10.243 -2.624 1.00 0.00 H new ATOM 719 N ARG A 46 -23.854 7.635 -7.744 1.00 0.00 N ATOM 720 CA ARG A 46 -23.491 6.465 -8.551 1.00 0.00 C ATOM 721 C ARG A 46 -21.990 6.570 -8.854 1.00 0.00 C ATOM 722 O ARG A 46 -21.539 7.599 -9.383 1.00 0.00 O ATOM 723 CB ARG A 46 -24.299 6.403 -9.882 1.00 0.00 C ATOM 724 CG ARG A 46 -25.835 6.369 -9.708 1.00 0.00 C ATOM 725 CD ARG A 46 -26.589 6.094 -11.020 1.00 0.00 C ATOM 726 NE ARG A 46 -28.038 5.904 -10.810 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.801 4.955 -11.400 1.00 0.00 C ATOM 728 NH1 ARG A 46 -28.282 4.095 -12.266 1.00 0.00 N ATOM 729 NH2 ARG A 46 -30.093 4.889 -11.130 1.00 0.00 N ATOM 0 H ARG A 46 -23.487 8.506 -8.128 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.725 5.555 -7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -24.036 7.268 -10.491 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.991 5.517 -10.437 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -26.094 5.601 -8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -26.169 7.322 -9.298 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -26.431 6.925 -11.707 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -26.174 5.205 -11.494 1.00 0.00 H new ATOM 0 HE ARG A 46 -28.504 6.543 -10.165 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -27.290 4.141 -12.499 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.875 3.387 -12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -30.512 5.552 -10.478 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.671 4.175 -11.573 1.00 0.00 H new ATOM 743 N VAL A 47 -21.227 5.524 -8.500 1.00 0.00 N ATOM 744 CA VAL A 47 -19.774 5.472 -8.732 1.00 0.00 C ATOM 745 C VAL A 47 -19.506 5.173 -10.221 1.00 0.00 C ATOM 746 O VAL A 47 -20.067 4.227 -10.774 1.00 0.00 O ATOM 747 CB VAL A 47 -19.095 4.383 -7.820 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.572 4.304 -8.056 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.402 4.640 -6.327 1.00 0.00 C ATOM 0 H VAL A 47 -21.599 4.690 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.340 6.438 -8.472 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.521 3.419 -8.099 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -17.142 3.541 -7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.378 4.046 -9.097 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -17.118 5.269 -7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.921 3.873 -5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -19.022 5.621 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.480 4.607 -6.166 1.00 0.00 H new ATOM 759 N ILE A 48 -18.675 6.015 -10.861 1.00 0.00 N ATOM 760 CA ILE A 48 -18.391 5.959 -12.311 1.00 0.00 C ATOM 761 C ILE A 48 -16.872 5.845 -12.539 1.00 0.00 C ATOM 762 O ILE A 48 -16.117 6.677 -12.056 1.00 0.00 O ATOM 763 CB ILE A 48 -18.921 7.255 -13.064 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.422 7.553 -12.724 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.717 7.140 -14.596 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.415 6.474 -13.121 1.00 0.00 C ATOM 0 H ILE A 48 -18.174 6.764 -10.382 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.907 5.087 -12.713 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.328 8.097 -12.705 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.506 7.720 -11.650 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.709 8.483 -13.215 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -19.090 8.042 -15.081 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.655 7.023 -14.814 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.262 6.274 -14.972 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.421 6.784 -12.839 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.372 6.318 -14.199 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -21.166 5.544 -12.610 1.00 0.00 H new ATOM 778 N TYR A 49 -16.439 4.821 -13.277 1.00 0.00 N ATOM 779 CA TYR A 49 -15.030 4.634 -13.673 1.00 0.00 C ATOM 780 C TYR A 49 -14.887 4.852 -15.173 1.00 0.00 C ATOM 781 O TYR A 49 -15.356 4.024 -15.961 1.00 0.00 O ATOM 782 CB TYR A 49 -14.560 3.214 -13.297 1.00 0.00 C ATOM 783 CG TYR A 49 -13.188 2.788 -13.839 1.00 0.00 C ATOM 784 CD1 TYR A 49 -13.067 1.766 -14.795 1.00 0.00 C ATOM 785 CD2 TYR A 49 -12.017 3.370 -13.373 1.00 0.00 C ATOM 786 CE1 TYR A 49 -11.834 1.368 -15.262 1.00 0.00 C ATOM 787 CE2 TYR A 49 -10.795 2.969 -13.847 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.700 1.964 -14.775 1.00 0.00 C ATOM 789 OH TYR A 49 -9.454 1.570 -15.228 1.00 0.00 O ATOM 0 H TYR A 49 -17.058 4.088 -13.623 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.410 5.359 -13.146 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.538 3.137 -12.210 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.305 2.502 -13.652 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.957 1.283 -15.171 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -12.070 4.149 -12.627 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.761 0.590 -16.008 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.898 3.450 -13.486 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.937 2.360 -15.492 1.00 0.00 H new ATOM 799 N ASN A 50 -14.262 5.983 -15.546 1.00 0.00 N ATOM 800 CA ASN A 50 -13.850 6.276 -16.932 1.00 0.00 C ATOM 801 C ASN A 50 -15.075 6.253 -17.899 1.00 0.00 C ATOM 802 O ASN A 50 -14.984 5.817 -19.052 1.00 0.00 O ATOM 803 CB ASN A 50 -12.712 5.280 -17.343 1.00 0.00 C ATOM 804 CG ASN A 50 -11.930 5.671 -18.597 1.00 0.00 C ATOM 805 OD1 ASN A 50 -11.871 6.842 -18.981 1.00 0.00 O ATOM 806 ND2 ASN A 50 -11.277 4.695 -19.208 1.00 0.00 N ATOM 0 H ASN A 50 -14.026 6.726 -14.889 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.448 7.287 -17.001 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.013 5.188 -16.512 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.152 4.295 -17.500 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.701 4.900 -20.025 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.349 3.738 -18.862 1.00 0.00 H new ATOM 813 N GLY A 51 -16.234 6.721 -17.380 1.00 0.00 N ATOM 814 CA GLY A 51 -17.481 6.825 -18.154 1.00 0.00 C ATOM 815 C GLY A 51 -18.415 5.628 -17.988 1.00 0.00 C ATOM 816 O GLY A 51 -19.539 5.653 -18.486 1.00 0.00 O ATOM 0 H GLY A 51 -16.325 7.035 -16.414 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.009 7.730 -17.853 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.233 6.936 -19.210 1.00 0.00 H new ATOM 820 N ARG A 52 -17.950 4.585 -17.287 1.00 0.00 N ATOM 821 CA ARG A 52 -18.730 3.354 -17.023 1.00 0.00 C ATOM 822 C ARG A 52 -19.374 3.421 -15.634 1.00 0.00 C ATOM 823 O ARG A 52 -18.709 3.795 -14.675 1.00 0.00 O ATOM 824 CB ARG A 52 -17.793 2.119 -17.103 1.00 0.00 C ATOM 825 CG ARG A 52 -18.437 0.767 -16.702 1.00 0.00 C ATOM 826 CD ARG A 52 -17.458 -0.396 -16.889 1.00 0.00 C ATOM 827 NE ARG A 52 -18.091 -1.712 -16.740 1.00 0.00 N ATOM 828 CZ ARG A 52 -17.499 -2.871 -17.079 1.00 0.00 C ATOM 829 NH1 ARG A 52 -16.282 -2.882 -17.613 1.00 0.00 N ATOM 830 NH2 ARG A 52 -18.121 -4.017 -16.889 1.00 0.00 N ATOM 0 H ARG A 52 -17.015 4.565 -16.881 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.517 3.266 -17.772 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.418 2.035 -18.123 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.931 2.296 -16.460 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.759 0.810 -15.661 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.329 0.594 -17.304 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.006 -0.327 -17.878 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.651 -0.304 -16.163 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.036 -1.750 -16.357 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.786 -2.005 -17.770 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.844 -3.768 -17.866 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.057 -4.028 -16.483 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.667 -4.893 -17.148 1.00 0.00 H new ATOM 844 N GLU A 53 -20.661 3.035 -15.526 1.00 0.00 N ATOM 845 CA GLU A 53 -21.341 2.943 -14.226 1.00 0.00 C ATOM 846 C GLU A 53 -20.901 1.656 -13.516 1.00 0.00 C ATOM 847 O GLU A 53 -20.841 0.583 -14.135 1.00 0.00 O ATOM 848 CB GLU A 53 -22.886 2.980 -14.373 1.00 0.00 C ATOM 849 CG GLU A 53 -23.630 3.314 -13.051 1.00 0.00 C ATOM 850 CD GLU A 53 -25.153 3.400 -13.213 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.640 4.384 -13.817 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.879 2.495 -12.742 1.00 0.00 O ATOM 0 H GLU A 53 -21.246 2.783 -16.323 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.057 3.811 -13.631 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.153 3.720 -15.127 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.231 2.013 -14.740 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.394 2.553 -12.308 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.259 4.263 -12.664 1.00 0.00 H new ATOM 859 N LEU A 54 -20.578 1.775 -12.225 1.00 0.00 N ATOM 860 CA LEU A 54 -20.074 0.660 -11.415 1.00 0.00 C ATOM 861 C LEU A 54 -21.174 0.152 -10.488 1.00 0.00 C ATOM 862 O LEU A 54 -21.637 0.883 -9.594 1.00 0.00 O ATOM 863 CB LEU A 54 -18.828 1.083 -10.589 1.00 0.00 C ATOM 864 CG LEU A 54 -17.648 1.744 -11.381 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.378 1.818 -10.513 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.384 1.023 -12.730 1.00 0.00 C ATOM 0 H LEU A 54 -20.659 2.651 -11.709 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.773 -0.142 -12.089 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.153 1.781 -9.817 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.443 0.200 -10.079 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.943 2.765 -11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.573 2.280 -11.084 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.580 2.414 -9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.081 0.812 -10.216 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.559 1.512 -13.248 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.128 -0.019 -12.541 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.280 1.070 -13.349 1.00 0.00 H new ATOM 878 N GLU A 55 -21.589 -1.094 -10.727 1.00 0.00 N ATOM 879 CA GLU A 55 -22.549 -1.801 -9.888 1.00 0.00 C ATOM 880 C GLU A 55 -21.916 -2.102 -8.521 1.00 0.00 C ATOM 881 O GLU A 55 -20.805 -2.645 -8.481 1.00 0.00 O ATOM 882 CB GLU A 55 -22.980 -3.121 -10.578 1.00 0.00 C ATOM 883 CG GLU A 55 -23.656 -2.916 -11.944 1.00 0.00 C ATOM 884 CD GLU A 55 -25.015 -2.208 -11.829 1.00 0.00 C ATOM 885 OE1 GLU A 55 -25.981 -2.852 -11.361 1.00 0.00 O ATOM 886 OE2 GLU A 55 -25.125 -1.013 -12.192 1.00 0.00 O ATOM 0 H GLU A 55 -21.261 -1.645 -11.521 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.430 -1.176 -9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.103 -3.755 -10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.665 -3.657 -9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -22.998 -2.331 -12.587 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -23.794 -3.884 -12.426 1.00 0.00 H new ATOM 893 N PRO A 56 -22.623 -1.781 -7.382 1.00 0.00 N ATOM 894 CA PRO A 56 -22.096 -2.021 -6.007 1.00 0.00 C ATOM 895 C PRO A 56 -21.868 -3.533 -5.737 1.00 0.00 C ATOM 896 O PRO A 56 -20.964 -3.921 -4.987 1.00 0.00 O ATOM 897 CB PRO A 56 -23.191 -1.397 -5.088 1.00 0.00 C ATOM 898 CG PRO A 56 -24.442 -1.396 -5.920 1.00 0.00 C ATOM 899 CD PRO A 56 -23.988 -1.180 -7.352 1.00 0.00 C ATOM 0 HA PRO A 56 -21.116 -1.576 -5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.323 -1.982 -4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -22.920 -0.387 -4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -24.979 -2.339 -5.819 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -25.122 -0.606 -5.602 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.656 -1.667 -8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -23.966 -0.121 -7.610 1.00 0.00 H new ATOM 907 N ARG A 57 -22.668 -4.351 -6.441 1.00 0.00 N ATOM 908 CA ARG A 57 -22.662 -5.827 -6.370 1.00 0.00 C ATOM 909 C ARG A 57 -21.300 -6.417 -6.802 1.00 0.00 C ATOM 910 O ARG A 57 -20.891 -7.482 -6.332 1.00 0.00 O ATOM 911 CB ARG A 57 -23.794 -6.356 -7.307 1.00 0.00 C ATOM 912 CG ARG A 57 -25.191 -5.759 -7.017 1.00 0.00 C ATOM 913 CD ARG A 57 -26.256 -6.172 -8.049 1.00 0.00 C ATOM 914 NE ARG A 57 -27.591 -5.651 -7.678 1.00 0.00 N ATOM 915 CZ ARG A 57 -28.190 -4.571 -8.206 1.00 0.00 C ATOM 916 NH1 ARG A 57 -27.632 -3.876 -9.182 1.00 0.00 N ATOM 917 NH2 ARG A 57 -29.372 -4.192 -7.750 1.00 0.00 N ATOM 0 H ARG A 57 -23.361 -3.994 -7.098 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.831 -6.137 -5.339 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.526 -6.137 -8.341 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -23.849 -7.441 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -25.515 -6.075 -6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -25.117 -4.672 -6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -25.977 -5.797 -9.034 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -26.294 -7.259 -8.121 1.00 0.00 H new ATOM 0 HE ARG A 57 -28.102 -6.158 -6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -26.724 -4.156 -9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -28.109 -3.060 -9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -29.823 -4.719 -7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -29.833 -3.373 -8.146 1.00 0.00 H new ATOM 931 N THR A 58 -20.616 -5.689 -7.697 1.00 0.00 N ATOM 932 CA THR A 58 -19.377 -6.138 -8.355 1.00 0.00 C ATOM 933 C THR A 58 -18.120 -5.602 -7.608 1.00 0.00 C ATOM 934 O THR A 58 -18.203 -4.599 -6.889 1.00 0.00 O ATOM 935 CB THR A 58 -19.405 -5.647 -9.841 1.00 0.00 C ATOM 936 OG1 THR A 58 -20.654 -6.017 -10.451 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.261 -6.216 -10.694 1.00 0.00 C ATOM 0 H THR A 58 -20.911 -4.758 -7.989 1.00 0.00 H new ATOM 0 HA THR A 58 -19.318 -7.226 -8.329 1.00 0.00 H new ATOM 0 HB THR A 58 -19.283 -4.564 -9.807 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.669 -5.707 -11.380 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.342 -5.835 -11.712 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.304 -5.914 -10.268 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.324 -7.304 -10.708 1.00 0.00 H new ATOM 945 N THR A 59 -16.961 -6.290 -7.773 1.00 0.00 N ATOM 946 CA THR A 59 -15.686 -5.893 -7.136 1.00 0.00 C ATOM 947 C THR A 59 -14.849 -4.968 -8.052 1.00 0.00 C ATOM 948 O THR A 59 -15.164 -4.783 -9.241 1.00 0.00 O ATOM 949 CB THR A 59 -14.854 -7.154 -6.700 1.00 0.00 C ATOM 950 OG1 THR A 59 -14.618 -8.005 -7.818 1.00 0.00 O ATOM 951 CG2 THR A 59 -15.566 -7.959 -5.603 1.00 0.00 C ATOM 0 H THR A 59 -16.888 -7.129 -8.348 1.00 0.00 H new ATOM 0 HA THR A 59 -15.936 -5.325 -6.240 1.00 0.00 H new ATOM 0 HB THR A 59 -13.907 -6.788 -6.302 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.098 -8.785 -7.532 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.957 -8.821 -5.331 1.00 0.00 H new ATOM 0 HG22 THR A 59 -15.713 -7.328 -4.726 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.534 -8.300 -5.972 1.00 0.00 H new ATOM 959 N LEU A 60 -13.778 -4.406 -7.458 1.00 0.00 N ATOM 960 CA LEU A 60 -12.878 -3.412 -8.086 1.00 0.00 C ATOM 961 C LEU A 60 -12.089 -4.031 -9.249 1.00 0.00 C ATOM 962 O LEU A 60 -12.029 -3.466 -10.346 1.00 0.00 O ATOM 963 CB LEU A 60 -11.887 -2.830 -7.011 1.00 0.00 C ATOM 964 CG LEU A 60 -12.395 -1.631 -6.140 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.770 -1.902 -5.522 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.370 -1.271 -5.046 1.00 0.00 C ATOM 0 H LEU A 60 -13.506 -4.635 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.492 -2.605 -8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.605 -3.640 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.980 -2.513 -7.525 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.505 -0.778 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.078 -1.042 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.498 -2.075 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.714 -2.783 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.746 -0.436 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.213 -2.133 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.425 -0.990 -5.511 1.00 0.00 H new ATOM 978 N GLU A 61 -11.503 -5.204 -8.975 1.00 0.00 N ATOM 979 CA GLU A 61 -10.653 -5.958 -9.925 1.00 0.00 C ATOM 980 C GLU A 61 -11.394 -6.298 -11.240 1.00 0.00 C ATOM 981 O GLU A 61 -10.768 -6.403 -12.305 1.00 0.00 O ATOM 982 CB GLU A 61 -10.157 -7.254 -9.238 1.00 0.00 C ATOM 983 CG GLU A 61 -11.293 -8.137 -8.691 1.00 0.00 C ATOM 984 CD GLU A 61 -10.789 -9.410 -8.008 1.00 0.00 C ATOM 985 OE1 GLU A 61 -10.402 -10.359 -8.718 1.00 0.00 O ATOM 986 OE2 GLU A 61 -10.777 -9.469 -6.765 1.00 0.00 O ATOM 0 H GLU A 61 -11.604 -5.669 -8.073 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.808 -5.326 -10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.571 -7.832 -9.952 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.489 -6.988 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.883 -7.560 -7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.959 -8.410 -9.510 1.00 0.00 H new ATOM 993 N GLU A 62 -12.731 -6.451 -11.145 1.00 0.00 N ATOM 994 CA GLU A 62 -13.600 -6.733 -12.297 1.00 0.00 C ATOM 995 C GLU A 62 -13.667 -5.526 -13.240 1.00 0.00 C ATOM 996 O GLU A 62 -13.640 -5.683 -14.462 1.00 0.00 O ATOM 997 CB GLU A 62 -15.016 -7.127 -11.810 1.00 0.00 C ATOM 998 CG GLU A 62 -15.066 -8.365 -10.890 1.00 0.00 C ATOM 999 CD GLU A 62 -14.558 -9.646 -11.569 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -15.349 -10.303 -12.281 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -13.368 -9.988 -11.418 1.00 0.00 O ATOM 0 H GLU A 62 -13.236 -6.381 -10.262 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.177 -7.569 -12.854 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.450 -6.280 -11.279 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.645 -7.314 -12.681 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.468 -8.172 -10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.092 -8.521 -10.557 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.733 -4.317 -12.656 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.753 -3.050 -13.423 1.00 0.00 C ATOM 1010 C TYR A 63 -12.336 -2.534 -13.712 1.00 0.00 C ATOM 1011 O TYR A 63 -12.190 -1.576 -14.470 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.551 -1.974 -12.653 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.039 -2.298 -12.497 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -16.831 -2.530 -13.618 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.657 -2.344 -11.248 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.172 -2.802 -13.503 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.003 -2.619 -11.132 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.754 -2.844 -12.262 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.091 -3.116 -12.147 1.00 0.00 O ATOM 0 H TYR A 63 -13.774 -4.186 -11.645 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.237 -3.254 -14.378 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.111 -1.848 -11.664 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.449 -1.020 -13.171 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.381 -2.495 -14.599 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.073 -2.162 -10.358 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.766 -2.982 -14.387 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.466 -2.658 -10.157 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.372 -3.694 -12.887 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.321 -3.181 -13.098 1.00 0.00 N ATOM 1030 CA ASN A 64 -9.912 -2.760 -13.157 1.00 0.00 C ATOM 1031 C ASN A 64 -9.758 -1.368 -12.500 1.00 0.00 C ATOM 1032 O ASN A 64 -9.390 -0.375 -13.136 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.352 -2.820 -14.621 1.00 0.00 C ATOM 1034 CG ASN A 64 -7.857 -2.469 -14.745 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -6.989 -3.329 -14.612 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -7.548 -1.211 -15.033 1.00 0.00 N ATOM 0 H ASN A 64 -11.464 -4.023 -12.540 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.302 -3.461 -12.587 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.511 -3.823 -15.017 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.926 -2.136 -15.245 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.572 -0.939 -15.149 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.287 -0.516 -15.138 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.129 -1.299 -11.216 1.00 0.00 N ATOM 1044 CA ILE A 65 -9.921 -0.099 -10.393 1.00 0.00 C ATOM 1045 C ILE A 65 -8.494 -0.169 -9.819 1.00 0.00 C ATOM 1046 O ILE A 65 -8.276 -0.558 -8.669 1.00 0.00 O ATOM 1047 CB ILE A 65 -11.012 0.031 -9.257 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.460 -0.122 -9.829 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.874 1.363 -8.479 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.869 0.927 -10.834 1.00 0.00 C ATOM 0 H ILE A 65 -10.579 -2.068 -10.719 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.030 0.797 -11.004 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.836 -0.786 -8.557 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.547 -1.103 -10.296 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.165 -0.101 -8.998 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.642 1.415 -7.707 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.889 1.413 -8.015 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.994 2.200 -9.167 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.888 0.732 -11.169 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.822 1.913 -10.371 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.193 0.895 -11.689 1.00 0.00 H new ATOM 1062 N THR A 66 -7.527 0.102 -10.704 1.00 0.00 N ATOM 1063 CA THR A 66 -6.089 0.032 -10.421 1.00 0.00 C ATOM 1064 C THR A 66 -5.543 1.428 -10.017 1.00 0.00 C ATOM 1065 O THR A 66 -6.176 2.441 -10.327 1.00 0.00 O ATOM 1066 CB THR A 66 -5.350 -0.556 -11.680 1.00 0.00 C ATOM 1067 OG1 THR A 66 -5.859 0.043 -12.887 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.496 -2.086 -11.753 1.00 0.00 C ATOM 0 H THR A 66 -7.729 0.384 -11.663 1.00 0.00 H new ATOM 0 HA THR A 66 -5.906 -0.630 -9.575 1.00 0.00 H new ATOM 0 HB THR A 66 -4.291 -0.319 -11.581 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.288 -0.208 -13.643 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.974 -2.460 -12.634 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.065 -2.536 -10.858 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.552 -2.348 -11.819 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.348 1.519 -9.325 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.887 2.780 -8.687 1.00 0.00 C ATOM 1078 C PRO A 67 -3.592 3.900 -9.713 1.00 0.00 C ATOM 1079 O PRO A 67 -2.877 3.678 -10.694 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.607 2.357 -7.912 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.108 1.148 -8.648 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.345 0.429 -9.137 1.00 0.00 C ATOM 0 HA PRO A 67 -4.652 3.211 -8.041 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.864 3.154 -7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.831 2.124 -6.871 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.466 1.434 -9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.516 0.508 -7.994 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.155 -0.103 -10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.689 -0.309 -8.413 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.173 5.084 -9.482 1.00 0.00 N ATOM 1091 CA GLY A 68 -3.937 6.264 -10.313 1.00 0.00 C ATOM 1092 C GLY A 68 -5.164 6.709 -11.094 1.00 0.00 C ATOM 1093 O GLY A 68 -5.152 7.792 -11.675 1.00 0.00 O ATOM 0 H GLY A 68 -4.821 5.248 -8.711 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.602 7.085 -9.679 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.128 6.051 -11.012 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.229 5.891 -11.094 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.462 6.186 -11.856 1.00 0.00 C ATOM 1099 C VAL A 69 -8.397 7.114 -11.058 1.00 0.00 C ATOM 1100 O VAL A 69 -8.356 7.134 -9.826 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.222 4.875 -12.262 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.346 3.974 -13.181 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.748 4.104 -11.017 1.00 0.00 C ATOM 0 H VAL A 69 -6.264 5.015 -10.573 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.158 6.696 -12.770 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.098 5.170 -12.841 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.901 3.074 -13.444 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.089 4.521 -14.088 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.433 3.696 -12.654 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.268 3.202 -11.340 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.909 3.829 -10.378 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.436 4.740 -10.459 1.00 0.00 H new ATOM 1113 N THR A 70 -9.242 7.875 -11.775 1.00 0.00 N ATOM 1114 CA THR A 70 -10.175 8.839 -11.178 1.00 0.00 C ATOM 1115 C THR A 70 -11.626 8.410 -11.433 1.00 0.00 C ATOM 1116 O THR A 70 -12.107 8.423 -12.576 1.00 0.00 O ATOM 1117 CB THR A 70 -9.929 10.273 -11.745 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.568 10.649 -11.499 1.00 0.00 O ATOM 1119 CG2 THR A 70 -10.858 11.334 -11.117 1.00 0.00 C ATOM 0 H THR A 70 -9.295 7.836 -12.793 1.00 0.00 H new ATOM 0 HA THR A 70 -9.999 8.859 -10.102 1.00 0.00 H new ATOM 0 HB THR A 70 -10.145 10.238 -12.813 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.408 11.548 -11.855 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.640 12.310 -11.550 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.897 11.072 -11.317 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.693 11.370 -10.040 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.289 7.985 -10.350 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.735 7.731 -10.324 1.00 0.00 C ATOM 1129 C LEU A 71 -14.483 9.072 -10.247 1.00 0.00 C ATOM 1130 O LEU A 71 -13.885 10.108 -9.942 1.00 0.00 O ATOM 1131 CB LEU A 71 -14.115 6.810 -9.118 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.868 5.263 -9.289 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.507 4.920 -9.933 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -14.012 4.545 -7.931 1.00 0.00 C ATOM 0 H LEU A 71 -11.831 7.806 -9.457 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.025 7.212 -11.237 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.555 7.147 -8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.172 6.961 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.632 4.907 -9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.407 3.838 -10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.450 5.369 -10.924 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.701 5.310 -9.311 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.839 3.477 -8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.282 4.946 -7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.017 4.704 -7.540 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.789 9.038 -10.531 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.664 10.221 -10.504 1.00 0.00 C ATOM 1148 C GLU A 72 -18.023 9.827 -9.922 1.00 0.00 C ATOM 1149 O GLU A 72 -18.473 8.693 -10.089 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.832 10.847 -11.923 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.553 11.520 -12.480 1.00 0.00 C ATOM 1152 CD GLU A 72 -15.772 12.215 -13.829 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -15.644 11.555 -14.877 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -16.082 13.426 -13.849 1.00 0.00 O ATOM 0 H GLU A 72 -16.276 8.180 -10.789 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.202 10.981 -9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.149 10.067 -12.616 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.632 11.587 -11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.191 12.251 -11.757 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.773 10.767 -12.590 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.665 10.769 -9.224 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.965 10.551 -8.574 1.00 0.00 C ATOM 1163 C LEU A 73 -21.035 11.366 -9.278 1.00 0.00 C ATOM 1164 O LEU A 73 -20.957 12.592 -9.336 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.899 10.914 -7.073 1.00 0.00 C ATOM 1166 CG LEU A 73 -19.028 9.970 -6.198 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.026 10.423 -4.722 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.497 8.496 -6.344 1.00 0.00 C ATOM 0 H LEU A 73 -18.296 11.711 -9.092 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.221 9.494 -8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.513 11.929 -6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.913 10.920 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.000 10.027 -6.555 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.409 9.744 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.622 11.433 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.046 10.412 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.874 7.853 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.536 8.412 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.411 8.188 -7.386 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.997 10.667 -9.872 1.00 0.00 N ATOM 1181 CA LYS A 74 -23.172 11.276 -10.503 1.00 0.00 C ATOM 1182 C LYS A 74 -24.365 11.090 -9.580 1.00 0.00 C ATOM 1183 O LYS A 74 -24.505 10.021 -8.990 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.427 10.620 -11.893 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.634 11.265 -13.061 1.00 0.00 C ATOM 1186 CD LYS A 74 -21.093 11.208 -12.885 1.00 0.00 C ATOM 1187 CE LYS A 74 -20.326 11.871 -14.033 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.626 13.317 -14.142 1.00 0.00 N ATOM 0 H LYS A 74 -21.986 9.649 -9.932 1.00 0.00 H new ATOM 0 HA LYS A 74 -23.008 12.341 -10.665 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -23.169 9.563 -11.835 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.492 10.676 -12.118 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.902 10.762 -13.990 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.940 12.306 -13.163 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.823 11.695 -11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.782 10.166 -12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.256 11.734 -13.880 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.580 11.377 -14.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.000 13.749 -14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.617 13.445 -14.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.472 13.774 -13.220 1.00 0.00 H new ATOM 1202 N THR A 75 -25.213 12.122 -9.459 1.00 0.00 N ATOM 1203 CA THR A 75 -26.411 12.063 -8.614 1.00 0.00 C ATOM 1204 C THR A 75 -27.347 10.932 -9.087 1.00 0.00 C ATOM 1205 O THR A 75 -27.723 10.878 -10.271 1.00 0.00 O ATOM 1206 CB THR A 75 -27.189 13.428 -8.596 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.402 13.897 -9.943 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.446 14.504 -7.775 1.00 0.00 C ATOM 0 H THR A 75 -25.088 13.013 -9.940 1.00 0.00 H new ATOM 0 HA THR A 75 -26.078 11.858 -7.597 1.00 0.00 H new ATOM 0 HB THR A 75 -28.151 13.250 -8.116 1.00 0.00 H new ATOM 0 HG1 THR A 75 -27.577 13.133 -10.532 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.018 15.432 -7.789 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.333 14.163 -6.746 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.462 14.678 -8.210 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.640 9.985 -8.171 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.672 8.963 -8.359 1.00 0.00 C ATOM 1218 C ARG A 76 -30.030 9.692 -8.430 1.00 0.00 C ATOM 1219 O ARG A 76 -30.671 9.979 -7.415 1.00 0.00 O ATOM 1220 CB ARG A 76 -28.586 7.895 -7.215 1.00 0.00 C ATOM 1221 CG ARG A 76 -29.579 6.688 -7.313 1.00 0.00 C ATOM 1222 CD ARG A 76 -30.904 6.929 -6.557 1.00 0.00 C ATOM 1223 NE ARG A 76 -31.863 5.832 -6.733 1.00 0.00 N ATOM 1224 CZ ARG A 76 -33.083 5.769 -6.167 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -33.503 6.701 -5.314 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -33.887 4.758 -6.466 1.00 0.00 N ATOM 0 H ARG A 76 -27.158 9.914 -7.275 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.534 8.405 -9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -27.570 7.501 -7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.754 8.399 -6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -29.798 6.490 -8.362 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -29.097 5.796 -6.914 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -30.694 7.056 -5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -31.353 7.859 -6.906 1.00 0.00 H new ATOM 0 HE ARG A 76 -31.583 5.055 -7.332 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -32.896 7.485 -5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -34.432 6.631 -4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -33.579 4.038 -7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -34.813 4.701 -6.043 1.00 0.00 H new