USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=18 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 180:sc= 0.193 USER MOD Set 1.2: A 64 ASN : amide:sc= -0.0931 X(o=0.11,f=0.36) USER MOD Set 1.3: A 66 THR OG1 : rot 180:sc= 0.0147 USER MOD Set 2.1: A 58 THR OG1 : rot -170:sc= -0.479 USER MOD Set 2.2: A 63 TYR OH : rot 180:sc= 0.538 USER MOD Single : A 4 SER OG : rot 33:sc= 0.064 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0.798 (180deg=0.755) USER MOD Single : A 11 THR OG1 : rot -11:sc= -1.04 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0295 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0194 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.862 USER MOD Single : A 31 MET CE :methyl -166:sc= 0 (180deg=-0.199) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 0.886 (180deg=0.806) USER MOD Single : A 37 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0358 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.008 K(o=-0.008,f=-0.87) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0507 USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= -0.0364 (180deg=-0.172) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00139 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -2.793 -3.509 -2.191 1.00 0.00 N ATOM 29 CA SER A 4 -3.766 -2.428 -2.333 1.00 0.00 C ATOM 30 C SER A 4 -3.435 -1.578 -3.580 1.00 0.00 C ATOM 31 O SER A 4 -2.516 -1.904 -4.346 1.00 0.00 O ATOM 32 CB SER A 4 -3.743 -1.564 -1.055 1.00 0.00 C ATOM 33 OG SER A 4 -4.093 -2.327 0.083 1.00 0.00 O ATOM 0 HA SER A 4 -4.766 -2.842 -2.465 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.749 -1.137 -0.919 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.436 -0.730 -1.164 1.00 0.00 H new ATOM 0 HG SER A 4 -3.783 -3.249 -0.034 1.00 0.00 H new ATOM 39 N LEU A 5 -4.205 -0.492 -3.766 1.00 0.00 N ATOM 40 CA LEU A 5 -4.039 0.453 -4.877 1.00 0.00 C ATOM 41 C LEU A 5 -4.660 1.816 -4.505 1.00 0.00 C ATOM 42 O LEU A 5 -5.750 1.882 -3.924 1.00 0.00 O ATOM 43 CB LEU A 5 -4.615 -0.135 -6.211 1.00 0.00 C ATOM 44 CG LEU A 5 -5.961 -0.945 -6.157 1.00 0.00 C ATOM 45 CD1 LEU A 5 -7.202 -0.040 -6.015 1.00 0.00 C ATOM 46 CD2 LEU A 5 -6.084 -1.854 -7.392 1.00 0.00 C ATOM 0 H LEU A 5 -4.970 -0.245 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.976 0.616 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.755 0.694 -6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.854 -0.786 -6.642 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.927 -1.561 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.100 -0.657 -5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.127 0.539 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.257 0.638 -6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.020 -2.410 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.071 -1.244 -8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.248 -2.553 -7.414 1.00 0.00 H new ATOM 58 N GLU A 6 -3.939 2.898 -4.828 1.00 0.00 N ATOM 59 CA GLU A 6 -4.344 4.268 -4.458 1.00 0.00 C ATOM 60 C GLU A 6 -5.110 4.925 -5.616 1.00 0.00 C ATOM 61 O GLU A 6 -4.518 5.310 -6.631 1.00 0.00 O ATOM 62 CB GLU A 6 -3.110 5.116 -4.074 1.00 0.00 C ATOM 63 CG GLU A 6 -3.446 6.546 -3.600 1.00 0.00 C ATOM 64 CD GLU A 6 -2.199 7.419 -3.442 1.00 0.00 C ATOM 65 OE1 GLU A 6 -1.473 7.249 -2.445 1.00 0.00 O ATOM 66 OE2 GLU A 6 -1.922 8.254 -4.328 1.00 0.00 O ATOM 0 H GLU A 6 -3.064 2.853 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.002 4.213 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.563 4.603 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.444 5.178 -4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.124 7.012 -4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.973 6.495 -2.647 1.00 0.00 H new ATOM 73 N ILE A 7 -6.429 5.020 -5.458 1.00 0.00 N ATOM 74 CA ILE A 7 -7.326 5.643 -6.447 1.00 0.00 C ATOM 75 C ILE A 7 -7.861 6.983 -5.910 1.00 0.00 C ATOM 76 O ILE A 7 -7.559 7.382 -4.778 1.00 0.00 O ATOM 77 CB ILE A 7 -8.521 4.689 -6.799 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.369 4.392 -5.518 1.00 0.00 C ATOM 79 CG2 ILE A 7 -8.001 3.383 -7.450 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.633 3.594 -5.755 1.00 0.00 C ATOM 0 H ILE A 7 -6.916 4.665 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.754 5.826 -7.357 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.167 5.184 -7.524 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.745 3.852 -4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.638 5.340 -5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.844 2.734 -7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.459 3.623 -8.365 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.333 2.872 -6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.150 3.441 -4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.284 4.138 -6.439 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.377 2.628 -6.189 1.00 0.00 H new ATOM 92 N LYS A 8 -8.654 7.678 -6.743 1.00 0.00 N ATOM 93 CA LYS A 8 -9.210 9.009 -6.417 1.00 0.00 C ATOM 94 C LYS A 8 -10.694 9.053 -6.801 1.00 0.00 C ATOM 95 O LYS A 8 -11.041 8.663 -7.909 1.00 0.00 O ATOM 96 CB LYS A 8 -8.423 10.091 -7.196 1.00 0.00 C ATOM 97 CG LYS A 8 -6.885 10.134 -6.909 1.00 0.00 C ATOM 98 CD LYS A 8 -6.022 9.928 -8.175 1.00 0.00 C ATOM 99 CE LYS A 8 -6.281 11.002 -9.245 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.342 10.900 -10.387 1.00 0.00 N ATOM 0 H LYS A 8 -8.930 7.335 -7.663 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.118 9.198 -5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.573 9.928 -8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.848 11.067 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.633 11.094 -6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.637 9.364 -6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.968 9.942 -7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.228 8.944 -8.595 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.304 10.908 -9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.193 11.990 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.658 11.528 -11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.389 11.182 -10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.319 9.919 -10.731 1.00 0.00 H new ATOM 114 N ILE A 9 -11.572 9.502 -5.881 1.00 0.00 N ATOM 115 CA ILE A 9 -13.027 9.581 -6.145 1.00 0.00 C ATOM 116 C ILE A 9 -13.477 11.056 -6.136 1.00 0.00 C ATOM 117 O ILE A 9 -13.656 11.659 -5.076 1.00 0.00 O ATOM 118 CB ILE A 9 -13.908 8.753 -5.114 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.564 7.217 -5.106 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.417 8.944 -5.413 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.273 6.837 -4.406 1.00 0.00 C ATOM 0 H ILE A 9 -11.301 9.816 -4.949 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.187 9.132 -7.125 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.671 9.145 -4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.385 6.682 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.513 6.869 -6.138 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.005 8.370 -4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.674 10.000 -5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.635 8.597 -6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.134 5.757 -4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.435 7.335 -4.893 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.321 7.145 -3.361 1.00 0.00 H new ATOM 133 N ARG A 10 -13.590 11.642 -7.327 1.00 0.00 N ATOM 134 CA ARG A 10 -14.241 12.943 -7.529 1.00 0.00 C ATOM 135 C ARG A 10 -15.757 12.853 -7.219 1.00 0.00 C ATOM 136 O ARG A 10 -16.456 11.993 -7.751 1.00 0.00 O ATOM 137 CB ARG A 10 -14.003 13.423 -8.985 1.00 0.00 C ATOM 138 CG ARG A 10 -14.764 14.709 -9.374 1.00 0.00 C ATOM 139 CD ARG A 10 -14.514 15.143 -10.824 1.00 0.00 C ATOM 140 NE ARG A 10 -15.393 16.267 -11.196 1.00 0.00 N ATOM 141 CZ ARG A 10 -14.993 17.472 -11.627 1.00 0.00 C ATOM 142 NH1 ARG A 10 -13.708 17.770 -11.735 1.00 0.00 N ATOM 143 NH2 ARG A 10 -15.894 18.383 -11.929 1.00 0.00 N ATOM 0 H ARG A 10 -13.231 11.227 -8.187 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.805 13.668 -6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.936 13.592 -9.127 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.293 12.625 -9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.832 14.550 -9.228 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.468 15.516 -8.704 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.471 15.436 -10.945 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.689 14.302 -11.495 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.398 16.114 -11.118 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.001 17.077 -11.488 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.424 18.693 -12.065 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.887 18.169 -11.834 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.599 19.303 -12.258 1.00 0.00 H new ATOM 157 N THR A 11 -16.236 13.722 -6.326 1.00 0.00 N ATOM 158 CA THR A 11 -17.666 13.853 -6.007 1.00 0.00 C ATOM 159 C THR A 11 -18.402 14.745 -7.037 1.00 0.00 C ATOM 160 O THR A 11 -17.765 15.370 -7.896 1.00 0.00 O ATOM 161 CB THR A 11 -17.819 14.480 -4.587 1.00 0.00 C ATOM 162 OG1 THR A 11 -17.261 15.800 -4.599 1.00 0.00 O ATOM 163 CG2 THR A 11 -17.109 13.651 -3.509 1.00 0.00 C ATOM 0 H THR A 11 -15.641 14.361 -5.798 1.00 0.00 H new ATOM 0 HA THR A 11 -18.112 12.859 -6.039 1.00 0.00 H new ATOM 0 HB THR A 11 -18.882 14.504 -4.345 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.760 15.936 -5.430 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.243 14.126 -2.537 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.533 12.647 -3.484 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.045 13.589 -3.739 1.00 0.00 H new ATOM 171 N THR A 12 -19.745 14.816 -6.910 1.00 0.00 N ATOM 172 CA THR A 12 -20.581 15.821 -7.608 1.00 0.00 C ATOM 173 C THR A 12 -20.170 17.253 -7.199 1.00 0.00 C ATOM 174 O THR A 12 -20.254 18.191 -8.001 1.00 0.00 O ATOM 175 CB THR A 12 -22.102 15.610 -7.279 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.234 15.213 -5.905 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.770 14.571 -8.187 1.00 0.00 C ATOM 0 H THR A 12 -20.281 14.179 -6.321 1.00 0.00 H new ATOM 0 HA THR A 12 -20.424 15.691 -8.679 1.00 0.00 H new ATOM 0 HB THR A 12 -22.611 16.557 -7.458 1.00 0.00 H new ATOM 0 HG1 THR A 12 -23.181 15.081 -5.692 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.820 14.469 -7.912 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.697 14.895 -9.225 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.269 13.610 -8.070 1.00 0.00 H new ATOM 185 N GLU A 13 -19.704 17.384 -5.939 1.00 0.00 N ATOM 186 CA GLU A 13 -19.277 18.660 -5.338 1.00 0.00 C ATOM 187 C GLU A 13 -18.022 19.226 -6.044 1.00 0.00 C ATOM 188 O GLU A 13 -17.725 20.419 -5.934 1.00 0.00 O ATOM 189 CB GLU A 13 -19.015 18.453 -3.814 1.00 0.00 C ATOM 190 CG GLU A 13 -20.136 17.685 -3.068 1.00 0.00 C ATOM 191 CD GLU A 13 -21.512 18.377 -3.129 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.802 19.222 -2.258 1.00 0.00 O ATOM 193 OE2 GLU A 13 -22.305 18.089 -4.055 1.00 0.00 O ATOM 0 H GLU A 13 -19.613 16.592 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.074 19.392 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -18.077 17.912 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.886 19.428 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -20.224 16.685 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.847 17.563 -2.024 1.00 0.00 H new ATOM 200 N GLY A 14 -17.288 18.350 -6.764 1.00 0.00 N ATOM 201 CA GLY A 14 -16.109 18.754 -7.535 1.00 0.00 C ATOM 202 C GLY A 14 -14.802 18.401 -6.839 1.00 0.00 C ATOM 203 O GLY A 14 -13.756 18.341 -7.489 1.00 0.00 O ATOM 0 H GLY A 14 -17.499 17.354 -6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.137 18.272 -8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.144 19.830 -7.708 1.00 0.00 H new ATOM 207 N ARG A 15 -14.857 18.179 -5.507 1.00 0.00 N ATOM 208 CA ARG A 15 -13.682 17.763 -4.712 1.00 0.00 C ATOM 209 C ARG A 15 -13.317 16.304 -5.053 1.00 0.00 C ATOM 210 O ARG A 15 -14.199 15.515 -5.390 1.00 0.00 O ATOM 211 CB ARG A 15 -13.971 17.906 -3.188 1.00 0.00 C ATOM 212 CG ARG A 15 -14.974 16.877 -2.622 1.00 0.00 C ATOM 213 CD ARG A 15 -15.280 17.079 -1.132 1.00 0.00 C ATOM 214 NE ARG A 15 -16.235 18.187 -0.911 1.00 0.00 N ATOM 215 CZ ARG A 15 -15.955 19.381 -0.359 1.00 0.00 C ATOM 216 NH1 ARG A 15 -14.742 19.663 0.092 1.00 0.00 N ATOM 217 NH2 ARG A 15 -16.912 20.283 -0.241 1.00 0.00 N ATOM 0 H ARG A 15 -15.710 18.282 -4.957 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.841 18.411 -4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.031 17.814 -2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.353 18.909 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.904 16.938 -3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.576 15.873 -2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.690 16.158 -0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.354 17.285 -0.596 1.00 0.00 H new ATOM 0 HE ARG A 15 -17.199 18.030 -1.206 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.998 18.968 0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.551 20.575 0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.855 20.072 -0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -16.708 21.191 0.176 1.00 0.00 H new ATOM 231 N THR A 16 -12.030 15.950 -4.975 1.00 0.00 N ATOM 232 CA THR A 16 -11.564 14.575 -5.239 1.00 0.00 C ATOM 233 C THR A 16 -10.993 13.962 -3.953 1.00 0.00 C ATOM 234 O THR A 16 -10.328 14.645 -3.175 1.00 0.00 O ATOM 235 CB THR A 16 -10.513 14.558 -6.388 1.00 0.00 C ATOM 236 OG1 THR A 16 -11.029 15.296 -7.502 1.00 0.00 O ATOM 237 CG2 THR A 16 -10.189 13.132 -6.856 1.00 0.00 C ATOM 0 H THR A 16 -11.283 16.600 -4.729 1.00 0.00 H new ATOM 0 HA THR A 16 -12.411 13.971 -5.562 1.00 0.00 H new ATOM 0 HB THR A 16 -9.596 15.006 -6.005 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.372 15.292 -8.230 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.452 13.171 -7.658 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.787 12.558 -6.021 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.098 12.654 -7.221 1.00 0.00 H new ATOM 245 N LEU A 17 -11.296 12.671 -3.734 1.00 0.00 N ATOM 246 CA LEU A 17 -10.990 11.946 -2.484 1.00 0.00 C ATOM 247 C LEU A 17 -9.960 10.829 -2.765 1.00 0.00 C ATOM 248 O LEU A 17 -10.335 9.721 -3.172 1.00 0.00 O ATOM 249 CB LEU A 17 -12.314 11.350 -1.910 1.00 0.00 C ATOM 250 CG LEU A 17 -13.540 12.325 -1.885 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.840 11.595 -1.513 1.00 0.00 C ATOM 252 CD2 LEU A 17 -13.296 13.529 -0.956 1.00 0.00 C ATOM 0 H LEU A 17 -11.767 12.092 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.559 12.627 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.582 10.473 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.126 11.006 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.656 12.711 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.667 12.305 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.040 10.812 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.737 11.149 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.170 14.180 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.120 13.175 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.425 14.085 -1.302 1.00 0.00 H new ATOM 264 N THR A 18 -8.666 11.136 -2.576 1.00 0.00 N ATOM 265 CA THR A 18 -7.574 10.177 -2.827 1.00 0.00 C ATOM 266 C THR A 18 -7.468 9.164 -1.666 1.00 0.00 C ATOM 267 O THR A 18 -6.955 9.494 -0.592 1.00 0.00 O ATOM 268 CB THR A 18 -6.214 10.923 -3.027 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.361 11.887 -4.077 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.063 9.961 -3.385 1.00 0.00 C ATOM 0 H THR A 18 -8.348 12.048 -2.248 1.00 0.00 H new ATOM 0 HA THR A 18 -7.802 9.633 -3.744 1.00 0.00 H new ATOM 0 HB THR A 18 -5.959 11.406 -2.083 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.513 12.360 -4.208 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.141 10.528 -3.513 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.933 9.234 -2.583 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.300 9.439 -4.312 1.00 0.00 H new ATOM 278 N VAL A 19 -7.993 7.943 -1.882 1.00 0.00 N ATOM 279 CA VAL A 19 -7.973 6.856 -0.879 1.00 0.00 C ATOM 280 C VAL A 19 -7.326 5.602 -1.481 1.00 0.00 C ATOM 281 O VAL A 19 -7.368 5.391 -2.699 1.00 0.00 O ATOM 282 CB VAL A 19 -9.424 6.504 -0.347 1.00 0.00 C ATOM 283 CG1 VAL A 19 -10.106 7.738 0.293 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.327 5.894 -1.460 1.00 0.00 C ATOM 0 H VAL A 19 -8.444 7.680 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.387 7.208 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.297 5.744 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.099 7.462 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.506 8.091 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.193 8.531 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.311 5.669 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.430 6.608 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.873 4.977 -1.835 1.00 0.00 H new ATOM 294 N ASP A 20 -6.733 4.766 -0.621 1.00 0.00 N ATOM 295 CA ASP A 20 -6.136 3.485 -1.034 1.00 0.00 C ATOM 296 C ASP A 20 -6.961 2.316 -0.478 1.00 0.00 C ATOM 297 O ASP A 20 -7.338 2.302 0.699 1.00 0.00 O ATOM 298 CB ASP A 20 -4.649 3.397 -0.613 1.00 0.00 C ATOM 299 CG ASP A 20 -4.413 3.554 0.900 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.302 4.705 1.375 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.319 2.530 1.614 1.00 0.00 O ATOM 0 H ASP A 20 -6.652 4.955 0.378 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.157 3.424 -2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.248 2.436 -0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.087 4.169 -1.139 1.00 0.00 H new ATOM 306 N VAL A 21 -7.255 1.361 -1.368 1.00 0.00 N ATOM 307 CA VAL A 21 -8.112 0.188 -1.117 1.00 0.00 C ATOM 308 C VAL A 21 -7.573 -1.000 -1.931 1.00 0.00 C ATOM 309 O VAL A 21 -6.839 -0.806 -2.894 1.00 0.00 O ATOM 310 CB VAL A 21 -9.617 0.467 -1.535 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.349 1.385 -0.522 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.675 1.068 -2.966 1.00 0.00 C ATOM 0 H VAL A 21 -6.890 1.381 -2.320 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.094 -0.032 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.140 -0.489 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.375 1.546 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.354 0.912 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.833 2.343 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.713 1.255 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.119 2.005 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.233 0.366 -3.674 1.00 0.00 H new ATOM 322 N LYS A 22 -7.935 -2.223 -1.541 1.00 0.00 N ATOM 323 CA LYS A 22 -7.540 -3.440 -2.280 1.00 0.00 C ATOM 324 C LYS A 22 -8.455 -3.653 -3.510 1.00 0.00 C ATOM 325 O LYS A 22 -9.626 -3.266 -3.468 1.00 0.00 O ATOM 326 CB LYS A 22 -7.606 -4.664 -1.332 1.00 0.00 C ATOM 327 CG LYS A 22 -6.669 -4.555 -0.107 1.00 0.00 C ATOM 328 CD LYS A 22 -6.805 -5.746 0.868 1.00 0.00 C ATOM 329 CE LYS A 22 -6.462 -7.100 0.226 1.00 0.00 C ATOM 330 NZ LYS A 22 -6.659 -8.226 1.177 1.00 0.00 N ATOM 0 H LYS A 22 -8.504 -2.405 -0.714 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.518 -3.322 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.631 -4.787 -0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.350 -5.562 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.637 -4.491 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.885 -3.630 0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.151 -5.582 1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.826 -5.780 1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.086 -7.254 -0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.427 -7.089 -0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.418 -9.123 0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.045 -8.092 2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.653 -8.252 1.483 1.00 0.00 H new ATOM 344 N PRO A 23 -7.943 -4.277 -4.627 1.00 0.00 N ATOM 345 CA PRO A 23 -8.792 -4.652 -5.798 1.00 0.00 C ATOM 346 C PRO A 23 -9.828 -5.744 -5.437 1.00 0.00 C ATOM 347 O PRO A 23 -10.814 -5.953 -6.155 1.00 0.00 O ATOM 348 CB PRO A 23 -7.764 -5.169 -6.842 1.00 0.00 C ATOM 349 CG PRO A 23 -6.587 -5.621 -6.023 1.00 0.00 C ATOM 350 CD PRO A 23 -6.515 -4.665 -4.846 1.00 0.00 C ATOM 0 HA PRO A 23 -9.387 -3.816 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.175 -5.989 -7.431 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.481 -4.383 -7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.717 -6.649 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.668 -5.591 -6.608 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.089 -5.144 -3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.893 -3.798 -5.070 1.00 0.00 H new ATOM 358 N ASP A 24 -9.578 -6.410 -4.300 1.00 0.00 N ATOM 359 CA ASP A 24 -10.396 -7.513 -3.771 1.00 0.00 C ATOM 360 C ASP A 24 -11.694 -6.992 -3.116 1.00 0.00 C ATOM 361 O ASP A 24 -12.604 -7.776 -2.830 1.00 0.00 O ATOM 362 CB ASP A 24 -9.557 -8.306 -2.729 1.00 0.00 C ATOM 363 CG ASP A 24 -8.128 -8.618 -3.222 1.00 0.00 C ATOM 364 OD1 ASP A 24 -7.236 -7.764 -3.036 1.00 0.00 O ATOM 365 OD2 ASP A 24 -7.897 -9.688 -3.825 1.00 0.00 O ATOM 0 H ASP A 24 -8.779 -6.190 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.683 -8.162 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.500 -7.733 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.067 -9.240 -2.494 1.00 0.00 H new ATOM 370 N ARG A 25 -11.756 -5.661 -2.871 1.00 0.00 N ATOM 371 CA ARG A 25 -12.917 -4.996 -2.230 1.00 0.00 C ATOM 372 C ARG A 25 -14.050 -4.784 -3.254 1.00 0.00 C ATOM 373 O ARG A 25 -13.797 -4.759 -4.456 1.00 0.00 O ATOM 374 CB ARG A 25 -12.483 -3.625 -1.627 1.00 0.00 C ATOM 375 CG ARG A 25 -11.235 -3.684 -0.724 1.00 0.00 C ATOM 376 CD ARG A 25 -11.369 -4.614 0.498 1.00 0.00 C ATOM 377 NE ARG A 25 -12.250 -4.059 1.553 1.00 0.00 N ATOM 378 CZ ARG A 25 -11.949 -4.014 2.863 1.00 0.00 C ATOM 379 NH1 ARG A 25 -10.800 -4.502 3.320 1.00 0.00 N ATOM 380 NH2 ARG A 25 -12.803 -3.485 3.715 1.00 0.00 N ATOM 0 H ARG A 25 -11.002 -5.018 -3.112 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.285 -5.638 -1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.291 -2.929 -2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.313 -3.218 -1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.385 -4.013 -1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.008 -2.677 -0.374 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.762 -5.577 0.173 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.380 -4.798 0.918 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.153 -3.683 1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.130 -4.919 2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.588 -4.459 4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.691 -3.110 3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.576 -3.450 4.709 1.00 0.00 H new ATOM 394 N THR A 26 -15.292 -4.632 -2.766 1.00 0.00 N ATOM 395 CA THR A 26 -16.467 -4.334 -3.613 1.00 0.00 C ATOM 396 C THR A 26 -16.622 -2.814 -3.801 1.00 0.00 C ATOM 397 O THR A 26 -15.967 -2.018 -3.112 1.00 0.00 O ATOM 398 CB THR A 26 -17.784 -4.921 -3.000 1.00 0.00 C ATOM 399 OG1 THR A 26 -17.951 -4.431 -1.658 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.794 -6.463 -2.999 1.00 0.00 C ATOM 0 H THR A 26 -15.514 -4.712 -1.774 1.00 0.00 H new ATOM 0 HA THR A 26 -16.298 -4.807 -4.581 1.00 0.00 H new ATOM 0 HB THR A 26 -18.613 -4.592 -3.626 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.776 -4.797 -1.276 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.727 -6.821 -2.564 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.707 -6.828 -4.022 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.955 -6.832 -2.410 1.00 0.00 H new ATOM 408 N ILE A 27 -17.488 -2.422 -4.752 1.00 0.00 N ATOM 409 CA ILE A 27 -17.780 -1.008 -5.046 1.00 0.00 C ATOM 410 C ILE A 27 -18.492 -0.354 -3.841 1.00 0.00 C ATOM 411 O ILE A 27 -18.323 0.839 -3.598 1.00 0.00 O ATOM 412 CB ILE A 27 -18.628 -0.870 -6.369 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.849 -1.453 -7.592 1.00 0.00 C ATOM 414 CG2 ILE A 27 -19.064 0.589 -6.650 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.533 -0.759 -7.927 1.00 0.00 C ATOM 0 H ILE A 27 -18.005 -3.077 -5.339 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.840 -0.481 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.538 -1.451 -6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.645 -2.507 -7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.496 -1.407 -8.468 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.644 0.624 -7.572 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.674 0.952 -5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -18.181 1.219 -6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.076 -1.243 -8.790 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.723 0.290 -8.157 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.858 -0.827 -7.074 1.00 0.00 H new ATOM 427 N GLU A 28 -19.250 -1.175 -3.071 1.00 0.00 N ATOM 428 CA GLU A 28 -19.873 -0.762 -1.794 1.00 0.00 C ATOM 429 C GLU A 28 -18.833 -0.196 -0.817 1.00 0.00 C ATOM 430 O GLU A 28 -19.069 0.845 -0.209 1.00 0.00 O ATOM 431 CB GLU A 28 -20.618 -1.951 -1.143 1.00 0.00 C ATOM 432 CG GLU A 28 -21.880 -2.392 -1.906 1.00 0.00 C ATOM 433 CD GLU A 28 -22.481 -3.699 -1.387 1.00 0.00 C ATOM 434 OE1 GLU A 28 -23.516 -3.660 -0.688 1.00 0.00 O ATOM 435 OE2 GLU A 28 -21.919 -4.774 -1.677 1.00 0.00 O ATOM 0 H GLU A 28 -19.445 -2.144 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.590 0.027 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.936 -2.798 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.898 -1.678 -0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.630 -1.604 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.635 -2.508 -2.962 1.00 0.00 H new ATOM 442 N GLU A 29 -17.676 -0.883 -0.714 1.00 0.00 N ATOM 443 CA GLU A 29 -16.551 -0.455 0.139 1.00 0.00 C ATOM 444 C GLU A 29 -16.137 0.979 -0.212 1.00 0.00 C ATOM 445 O GLU A 29 -15.952 1.803 0.683 1.00 0.00 O ATOM 446 CB GLU A 29 -15.339 -1.423 -0.011 1.00 0.00 C ATOM 447 CG GLU A 29 -15.665 -2.919 0.197 1.00 0.00 C ATOM 448 CD GLU A 29 -16.224 -3.234 1.585 1.00 0.00 C ATOM 449 OE1 GLU A 29 -15.421 -3.327 2.533 1.00 0.00 O ATOM 450 OE2 GLU A 29 -17.464 -3.388 1.738 1.00 0.00 O ATOM 0 H GLU A 29 -17.497 -1.750 -1.221 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.879 -0.483 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.913 -1.295 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.570 -1.132 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.387 -3.234 -0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.760 -3.506 0.037 1.00 0.00 H new ATOM 457 N LEU A 30 -16.065 1.264 -1.533 1.00 0.00 N ATOM 458 CA LEU A 30 -15.761 2.609 -2.059 1.00 0.00 C ATOM 459 C LEU A 30 -16.828 3.621 -1.638 1.00 0.00 C ATOM 460 O LEU A 30 -16.486 4.719 -1.214 1.00 0.00 O ATOM 461 CB LEU A 30 -15.672 2.599 -3.603 1.00 0.00 C ATOM 462 CG LEU A 30 -14.617 1.649 -4.225 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.660 1.707 -5.767 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.203 1.962 -3.693 1.00 0.00 C ATOM 0 H LEU A 30 -16.216 0.566 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.797 2.901 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.651 2.330 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.459 3.614 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.865 0.631 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.910 1.031 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.648 1.407 -6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.452 2.724 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.484 1.280 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.938 2.989 -3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.186 1.839 -2.610 1.00 0.00 H new ATOM 476 N MET A 31 -18.118 3.218 -1.763 1.00 0.00 N ATOM 477 CA MET A 31 -19.280 4.081 -1.456 1.00 0.00 C ATOM 478 C MET A 31 -19.256 4.547 0.012 1.00 0.00 C ATOM 479 O MET A 31 -19.666 5.669 0.323 1.00 0.00 O ATOM 480 CB MET A 31 -20.622 3.369 -1.795 1.00 0.00 C ATOM 481 CG MET A 31 -20.702 2.820 -3.228 1.00 0.00 C ATOM 482 SD MET A 31 -22.383 2.500 -3.813 1.00 0.00 S ATOM 483 CE MET A 31 -22.921 4.147 -4.281 1.00 0.00 C ATOM 0 H MET A 31 -18.379 2.284 -2.080 1.00 0.00 H new ATOM 0 HA MET A 31 -19.207 4.966 -2.088 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.771 2.547 -1.095 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.441 4.071 -1.641 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.224 3.530 -3.903 1.00 0.00 H new ATOM 0 HG3 MET A 31 -20.129 1.894 -3.282 1.00 0.00 H new ATOM 0 HE1 MET A 31 -24.002 4.150 -4.422 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.655 4.854 -3.495 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.433 4.439 -5.211 1.00 0.00 H new ATOM 493 N GLU A 32 -18.742 3.675 0.896 1.00 0.00 N ATOM 494 CA GLU A 32 -18.520 4.006 2.313 1.00 0.00 C ATOM 495 C GLU A 32 -17.308 4.931 2.492 1.00 0.00 C ATOM 496 O GLU A 32 -17.370 5.848 3.315 1.00 0.00 O ATOM 497 CB GLU A 32 -18.365 2.717 3.171 1.00 0.00 C ATOM 498 CG GLU A 32 -19.688 2.078 3.632 1.00 0.00 C ATOM 499 CD GLU A 32 -20.559 1.520 2.489 1.00 0.00 C ATOM 500 OE1 GLU A 32 -21.346 2.283 1.883 1.00 0.00 O ATOM 501 OE2 GLU A 32 -20.479 0.307 2.209 1.00 0.00 O ATOM 0 H GLU A 32 -18.470 2.724 0.649 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.401 4.544 2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -17.805 1.981 2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.768 2.954 4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -19.464 1.270 4.329 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -20.265 2.822 4.182 1.00 0.00 H new ATOM 508 N LYS A 33 -16.220 4.696 1.723 1.00 0.00 N ATOM 509 CA LYS A 33 -14.996 5.516 1.829 1.00 0.00 C ATOM 510 C LYS A 33 -15.310 6.977 1.477 1.00 0.00 C ATOM 511 O LYS A 33 -15.092 7.865 2.287 1.00 0.00 O ATOM 512 CB LYS A 33 -13.834 4.990 0.935 1.00 0.00 C ATOM 513 CG LYS A 33 -13.417 3.517 1.161 1.00 0.00 C ATOM 514 CD LYS A 33 -13.366 3.112 2.653 1.00 0.00 C ATOM 515 CE LYS A 33 -12.900 1.662 2.852 1.00 0.00 C ATOM 516 NZ LYS A 33 -12.938 1.269 4.285 1.00 0.00 N ATOM 0 H LYS A 33 -16.167 3.951 1.028 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.657 5.447 2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.123 5.109 -0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.962 5.623 1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.118 2.865 0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.436 3.353 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.692 3.783 3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.355 3.236 3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.535 0.992 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.886 1.549 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.617 0.285 4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.312 1.894 4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.911 1.354 4.642 1.00 0.00 H new ATOM 530 N LEU A 34 -15.888 7.192 0.284 1.00 0.00 N ATOM 531 CA LEU A 34 -16.247 8.533 -0.202 1.00 0.00 C ATOM 532 C LEU A 34 -17.263 9.216 0.739 1.00 0.00 C ATOM 533 O LEU A 34 -17.164 10.417 0.971 1.00 0.00 O ATOM 534 CB LEU A 34 -16.733 8.458 -1.686 1.00 0.00 C ATOM 535 CG LEU A 34 -17.907 7.474 -2.005 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.300 8.124 -1.847 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.744 6.828 -3.395 1.00 0.00 C ATOM 0 H LEU A 34 -16.119 6.443 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.360 9.166 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.038 9.459 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.881 8.180 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.850 6.683 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.072 7.391 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.427 8.468 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.385 8.972 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.578 6.151 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.730 7.606 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.809 6.270 -3.429 1.00 0.00 H new ATOM 549 N LYS A 35 -18.188 8.419 1.326 1.00 0.00 N ATOM 550 CA LYS A 35 -19.157 8.914 2.333 1.00 0.00 C ATOM 551 C LYS A 35 -18.434 9.543 3.546 1.00 0.00 C ATOM 552 O LYS A 35 -18.708 10.688 3.901 1.00 0.00 O ATOM 553 CB LYS A 35 -20.097 7.758 2.785 1.00 0.00 C ATOM 554 CG LYS A 35 -20.956 8.034 4.049 1.00 0.00 C ATOM 555 CD LYS A 35 -21.925 9.235 3.896 1.00 0.00 C ATOM 556 CE LYS A 35 -22.675 9.547 5.202 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.634 10.676 5.056 1.00 0.00 N ATOM 0 H LYS A 35 -18.283 7.425 1.118 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.761 9.695 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.767 7.518 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.489 6.873 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.534 7.141 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.293 8.219 4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.363 10.115 3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.646 9.020 3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.214 8.658 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.953 9.787 5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.960 10.978 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -23.163 11.472 4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.450 10.368 4.489 1.00 0.00 H new ATOM 571 N GLU A 36 -17.500 8.800 4.159 1.00 0.00 N ATOM 572 CA GLU A 36 -16.807 9.254 5.386 1.00 0.00 C ATOM 573 C GLU A 36 -15.747 10.337 5.085 1.00 0.00 C ATOM 574 O GLU A 36 -15.303 11.029 6.003 1.00 0.00 O ATOM 575 CB GLU A 36 -16.183 8.046 6.130 1.00 0.00 C ATOM 576 CG GLU A 36 -15.142 7.256 5.316 1.00 0.00 C ATOM 577 CD GLU A 36 -14.717 5.940 5.978 1.00 0.00 C ATOM 578 OE1 GLU A 36 -13.789 5.953 6.815 1.00 0.00 O ATOM 579 OE2 GLU A 36 -15.320 4.887 5.679 1.00 0.00 O ATOM 0 H GLU A 36 -17.204 7.881 3.829 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.550 9.715 6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.712 8.404 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.983 7.367 6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.552 7.041 4.329 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.260 7.879 5.167 1.00 0.00 H new ATOM 586 N GLN A 37 -15.365 10.489 3.799 1.00 0.00 N ATOM 587 CA GLN A 37 -14.400 11.519 3.363 1.00 0.00 C ATOM 588 C GLN A 37 -15.070 12.902 3.239 1.00 0.00 C ATOM 589 O GLN A 37 -14.611 13.871 3.850 1.00 0.00 O ATOM 590 CB GLN A 37 -13.741 11.117 2.014 1.00 0.00 C ATOM 591 CG GLN A 37 -12.831 9.875 2.079 1.00 0.00 C ATOM 592 CD GLN A 37 -11.571 10.084 2.916 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.553 9.834 4.123 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.512 10.551 2.277 1.00 0.00 N ATOM 0 H GLN A 37 -15.714 9.905 3.039 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.625 11.588 4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.528 10.934 1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.155 11.960 1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.398 9.041 2.493 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.542 9.593 1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.565 10.746 1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.642 10.716 2.784 1.00 0.00 H new ATOM 603 N THR A 38 -16.155 12.990 2.441 1.00 0.00 N ATOM 604 CA THR A 38 -16.828 14.280 2.136 1.00 0.00 C ATOM 605 C THR A 38 -18.096 14.494 2.986 1.00 0.00 C ATOM 606 O THR A 38 -18.361 15.620 3.432 1.00 0.00 O ATOM 607 CB THR A 38 -17.157 14.417 0.607 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.893 15.625 0.345 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.938 13.225 0.068 1.00 0.00 C ATOM 0 H THR A 38 -16.588 12.183 1.993 1.00 0.00 H new ATOM 0 HA THR A 38 -16.119 15.065 2.402 1.00 0.00 H new ATOM 0 HB THR A 38 -16.197 14.452 0.091 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.085 15.690 -0.614 1.00 0.00 H new ATOM 0 HG21 THR A 38 -18.139 13.371 -0.993 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.353 12.315 0.205 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.881 13.134 0.607 1.00 0.00 H new ATOM 617 N GLY A 39 -18.870 13.415 3.213 1.00 0.00 N ATOM 618 CA GLY A 39 -20.114 13.485 4.009 1.00 0.00 C ATOM 619 C GLY A 39 -21.387 13.244 3.208 1.00 0.00 C ATOM 620 O GLY A 39 -22.458 13.032 3.801 1.00 0.00 O ATOM 0 H GLY A 39 -18.657 12.483 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -20.059 12.750 4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.175 14.466 4.479 1.00 0.00 H new ATOM 624 N VAL A 40 -21.280 13.274 1.864 1.00 0.00 N ATOM 625 CA VAL A 40 -22.435 13.090 0.968 1.00 0.00 C ATOM 626 C VAL A 40 -22.878 11.592 0.970 1.00 0.00 C ATOM 627 O VAL A 40 -22.022 10.700 0.891 1.00 0.00 O ATOM 628 CB VAL A 40 -22.119 13.618 -0.502 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.154 12.695 -1.282 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.413 13.864 -1.306 1.00 0.00 C ATOM 0 H VAL A 40 -20.398 13.425 1.375 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.266 13.688 1.341 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.607 14.572 -0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.978 13.108 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.207 12.622 -0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.595 11.703 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.159 14.223 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -23.973 12.933 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -24.022 14.610 -0.796 1.00 0.00 H new ATOM 640 N PRO A 41 -24.216 11.290 1.128 1.00 0.00 N ATOM 641 CA PRO A 41 -24.723 9.895 1.233 1.00 0.00 C ATOM 642 C PRO A 41 -24.582 9.100 -0.090 1.00 0.00 C ATOM 643 O PRO A 41 -24.935 9.619 -1.152 1.00 0.00 O ATOM 644 CB PRO A 41 -26.211 10.085 1.619 1.00 0.00 C ATOM 645 CG PRO A 41 -26.578 11.426 1.060 1.00 0.00 C ATOM 646 CD PRO A 41 -25.336 12.274 1.229 1.00 0.00 C ATOM 0 HA PRO A 41 -24.156 9.309 1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.834 9.296 1.198 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.347 10.055 2.700 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.865 11.351 0.011 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.426 11.857 1.593 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.266 13.040 0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.331 12.789 2.190 1.00 0.00 H new ATOM 654 N PRO A 42 -24.102 7.811 -0.039 1.00 0.00 N ATOM 655 CA PRO A 42 -23.861 6.993 -1.257 1.00 0.00 C ATOM 656 C PRO A 42 -25.167 6.614 -1.997 1.00 0.00 C ATOM 657 O PRO A 42 -25.140 6.306 -3.188 1.00 0.00 O ATOM 658 CB PRO A 42 -23.129 5.743 -0.708 1.00 0.00 C ATOM 659 CG PRO A 42 -23.579 5.629 0.719 1.00 0.00 C ATOM 660 CD PRO A 42 -23.757 7.053 1.203 1.00 0.00 C ATOM 0 HA PRO A 42 -23.286 7.534 -2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -23.390 4.851 -1.277 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -22.047 5.858 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -24.512 5.070 0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.841 5.099 1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.548 7.126 1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.847 7.435 1.665 1.00 0.00 H new ATOM 668 N GLU A 43 -26.302 6.674 -1.270 1.00 0.00 N ATOM 669 CA GLU A 43 -27.656 6.431 -1.827 1.00 0.00 C ATOM 670 C GLU A 43 -28.025 7.460 -2.930 1.00 0.00 C ATOM 671 O GLU A 43 -28.912 7.216 -3.758 1.00 0.00 O ATOM 672 CB GLU A 43 -28.711 6.508 -0.692 1.00 0.00 C ATOM 673 CG GLU A 43 -28.700 7.856 0.062 1.00 0.00 C ATOM 674 CD GLU A 43 -29.918 8.074 0.962 1.00 0.00 C ATOM 675 OE1 GLU A 43 -30.946 8.561 0.458 1.00 0.00 O ATOM 676 OE2 GLU A 43 -29.850 7.774 2.175 1.00 0.00 O ATOM 0 H GLU A 43 -26.309 6.893 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.650 5.438 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.702 6.344 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.530 5.701 0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.797 7.914 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.648 8.667 -0.665 1.00 0.00 H new ATOM 683 N GLN A 44 -27.346 8.618 -2.898 1.00 0.00 N ATOM 684 CA GLN A 44 -27.597 9.739 -3.814 1.00 0.00 C ATOM 685 C GLN A 44 -26.568 9.752 -4.968 1.00 0.00 C ATOM 686 O GLN A 44 -26.694 10.535 -5.910 1.00 0.00 O ATOM 687 CB GLN A 44 -27.549 11.064 -2.995 1.00 0.00 C ATOM 688 CG GLN A 44 -27.892 12.352 -3.779 1.00 0.00 C ATOM 689 CD GLN A 44 -27.866 13.608 -2.907 1.00 0.00 C ATOM 690 OE1 GLN A 44 -28.885 13.987 -2.326 1.00 0.00 O ATOM 691 NE2 GLN A 44 -26.708 14.257 -2.810 1.00 0.00 N ATOM 0 H GLN A 44 -26.600 8.803 -2.228 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.581 9.630 -4.271 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -28.240 10.976 -2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -26.550 11.173 -2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -27.184 12.471 -4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -28.881 12.247 -4.225 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -25.887 13.912 -3.306 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -26.642 15.100 -2.239 1.00 0.00 H new ATOM 700 N LEU A 45 -25.542 8.879 -4.901 1.00 0.00 N ATOM 701 CA LEU A 45 -24.443 8.862 -5.893 1.00 0.00 C ATOM 702 C LEU A 45 -24.318 7.504 -6.588 1.00 0.00 C ATOM 703 O LEU A 45 -24.870 6.489 -6.147 1.00 0.00 O ATOM 704 CB LEU A 45 -23.075 9.253 -5.250 1.00 0.00 C ATOM 705 CG LEU A 45 -22.885 10.758 -4.843 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.285 11.717 -5.990 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.626 11.103 -3.545 1.00 0.00 C ATOM 0 H LEU A 45 -25.450 8.174 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.701 9.609 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.931 8.640 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.283 8.989 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 45 -21.821 10.898 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.139 12.749 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.665 11.518 -6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.333 11.561 -6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.466 12.154 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.692 10.919 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.247 10.482 -2.733 1.00 0.00 H new ATOM 719 N ARG A 46 -23.574 7.541 -7.701 1.00 0.00 N ATOM 720 CA ARG A 46 -23.182 6.383 -8.504 1.00 0.00 C ATOM 721 C ARG A 46 -21.664 6.459 -8.678 1.00 0.00 C ATOM 722 O ARG A 46 -21.159 7.500 -9.131 1.00 0.00 O ATOM 723 CB ARG A 46 -23.855 6.435 -9.904 1.00 0.00 C ATOM 724 CG ARG A 46 -25.389 6.552 -9.889 1.00 0.00 C ATOM 725 CD ARG A 46 -25.967 6.775 -11.293 1.00 0.00 C ATOM 726 NE ARG A 46 -27.430 6.945 -11.281 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.337 5.988 -11.581 1.00 0.00 C ATOM 728 NH1 ARG A 46 -27.965 4.752 -11.876 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.624 6.284 -11.587 1.00 0.00 N ATOM 0 H ARG A 46 -23.215 8.418 -8.080 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.489 5.460 -8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.447 7.283 -10.454 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.580 5.536 -10.455 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.817 5.645 -9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.682 7.378 -9.242 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -25.506 7.658 -11.736 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.708 5.927 -11.928 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.790 7.864 -11.024 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -26.975 4.505 -11.880 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.668 4.047 -12.099 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.930 7.231 -11.366 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.312 5.565 -11.813 1.00 0.00 H new ATOM 743 N VAL A 47 -20.940 5.390 -8.314 1.00 0.00 N ATOM 744 CA VAL A 47 -19.489 5.309 -8.548 1.00 0.00 C ATOM 745 C VAL A 47 -19.252 5.027 -10.045 1.00 0.00 C ATOM 746 O VAL A 47 -19.833 4.096 -10.601 1.00 0.00 O ATOM 747 CB VAL A 47 -18.814 4.200 -7.658 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.298 4.096 -7.927 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.079 4.461 -6.159 1.00 0.00 C ATOM 0 H VAL A 47 -21.335 4.569 -7.856 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.030 6.257 -8.267 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.266 3.246 -7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.868 3.320 -7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.131 3.844 -8.974 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.822 5.051 -7.703 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.603 3.682 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.669 5.432 -5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.153 4.454 -5.973 1.00 0.00 H new ATOM 759 N ILE A 48 -18.449 5.884 -10.690 1.00 0.00 N ATOM 760 CA ILE A 48 -18.184 5.840 -12.142 1.00 0.00 C ATOM 761 C ILE A 48 -16.678 5.648 -12.374 1.00 0.00 C ATOM 762 O ILE A 48 -15.875 6.328 -11.754 1.00 0.00 O ATOM 763 CB ILE A 48 -18.648 7.182 -12.851 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.136 7.530 -12.510 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.435 7.139 -14.384 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.171 6.495 -12.911 1.00 0.00 C ATOM 0 H ILE A 48 -17.956 6.640 -10.214 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.747 5.010 -12.569 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.014 7.975 -12.454 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.213 7.694 -11.435 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.388 8.473 -12.995 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -18.767 8.079 -14.824 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.377 6.991 -14.600 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.011 6.316 -14.808 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.164 6.843 -12.625 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.136 6.344 -13.990 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -20.958 5.553 -12.406 1.00 0.00 H new ATOM 778 N TYR A 49 -16.309 4.723 -13.263 1.00 0.00 N ATOM 779 CA TYR A 49 -14.910 4.514 -13.688 1.00 0.00 C ATOM 780 C TYR A 49 -14.787 4.806 -15.176 1.00 0.00 C ATOM 781 O TYR A 49 -15.345 4.068 -15.994 1.00 0.00 O ATOM 782 CB TYR A 49 -14.453 3.061 -13.392 1.00 0.00 C ATOM 783 CG TYR A 49 -13.094 2.646 -13.994 1.00 0.00 C ATOM 784 CD1 TYR A 49 -13.022 1.864 -15.157 1.00 0.00 C ATOM 785 CD2 TYR A 49 -11.890 3.014 -13.397 1.00 0.00 C ATOM 786 CE1 TYR A 49 -11.810 1.474 -15.686 1.00 0.00 C ATOM 787 CE2 TYR A 49 -10.680 2.628 -13.929 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.641 1.856 -15.068 1.00 0.00 C ATOM 789 OH TYR A 49 -9.428 1.454 -15.578 1.00 0.00 O ATOM 0 H TYR A 49 -16.970 4.091 -13.714 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.267 5.192 -13.126 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.405 2.929 -12.311 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.217 2.378 -13.763 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.935 1.561 -15.648 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.906 3.614 -12.499 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.778 0.871 -16.582 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.760 2.931 -13.452 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.705 1.812 -15.022 1.00 0.00 H new ATOM 799 N ASN A 50 -14.084 5.903 -15.513 1.00 0.00 N ATOM 800 CA ASN A 50 -13.655 6.208 -16.894 1.00 0.00 C ATOM 801 C ASN A 50 -14.886 6.403 -17.842 1.00 0.00 C ATOM 802 O ASN A 50 -14.785 6.287 -19.069 1.00 0.00 O ATOM 803 CB ASN A 50 -12.669 5.087 -17.374 1.00 0.00 C ATOM 804 CG ASN A 50 -11.798 5.457 -18.573 1.00 0.00 C ATOM 805 OD1 ASN A 50 -11.512 6.631 -18.819 1.00 0.00 O ATOM 806 ND2 ASN A 50 -11.344 4.454 -19.307 1.00 0.00 N ATOM 0 H ASN A 50 -13.795 6.607 -14.833 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.121 7.158 -16.921 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.018 4.817 -16.542 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.249 4.199 -17.626 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.737 4.640 -20.105 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.601 3.495 -19.074 1.00 0.00 H new ATOM 813 N GLY A 51 -16.050 6.750 -17.232 1.00 0.00 N ATOM 814 CA GLY A 51 -17.313 6.977 -17.957 1.00 0.00 C ATOM 815 C GLY A 51 -18.342 5.855 -17.777 1.00 0.00 C ATOM 816 O GLY A 51 -19.528 6.057 -18.054 1.00 0.00 O ATOM 0 H GLY A 51 -16.131 6.878 -16.223 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.751 7.916 -17.619 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.096 7.091 -19.019 1.00 0.00 H new ATOM 820 N ARG A 52 -17.896 4.685 -17.286 1.00 0.00 N ATOM 821 CA ARG A 52 -18.769 3.506 -17.047 1.00 0.00 C ATOM 822 C ARG A 52 -19.388 3.562 -15.637 1.00 0.00 C ATOM 823 O ARG A 52 -18.691 3.886 -14.681 1.00 0.00 O ATOM 824 CB ARG A 52 -17.943 2.191 -17.201 1.00 0.00 C ATOM 825 CG ARG A 52 -18.704 0.902 -16.798 1.00 0.00 C ATOM 826 CD ARG A 52 -17.880 -0.375 -17.004 1.00 0.00 C ATOM 827 NE ARG A 52 -18.664 -1.582 -16.685 1.00 0.00 N ATOM 828 CZ ARG A 52 -18.315 -2.842 -17.003 1.00 0.00 C ATOM 829 NH1 ARG A 52 -17.201 -3.096 -17.680 1.00 0.00 N ATOM 830 NH2 ARG A 52 -19.091 -3.853 -16.635 1.00 0.00 N ATOM 0 H ARG A 52 -16.919 4.523 -17.041 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.572 3.521 -17.784 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.621 2.098 -18.238 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -17.041 2.270 -16.594 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.997 0.973 -15.750 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.622 0.832 -17.381 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.537 -0.425 -18.038 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.991 -0.341 -16.375 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.542 -1.451 -16.183 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.593 -2.329 -17.968 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.953 -4.058 -17.912 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.949 -3.674 -16.113 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.830 -4.810 -16.874 1.00 0.00 H new ATOM 844 N GLU A 53 -20.691 3.220 -15.512 1.00 0.00 N ATOM 845 CA GLU A 53 -21.347 3.102 -14.197 1.00 0.00 C ATOM 846 C GLU A 53 -20.966 1.766 -13.544 1.00 0.00 C ATOM 847 O GLU A 53 -20.960 0.719 -14.208 1.00 0.00 O ATOM 848 CB GLU A 53 -22.890 3.214 -14.298 1.00 0.00 C ATOM 849 CG GLU A 53 -23.582 3.436 -12.928 1.00 0.00 C ATOM 850 CD GLU A 53 -25.108 3.533 -13.026 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.599 4.430 -13.736 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.827 2.741 -12.382 1.00 0.00 O ATOM 0 H GLU A 53 -21.303 3.023 -16.304 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.998 3.932 -13.582 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.144 4.039 -14.963 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.284 2.305 -14.753 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.320 2.616 -12.260 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.195 4.350 -12.478 1.00 0.00 H new ATOM 859 N LEU A 54 -20.630 1.817 -12.249 1.00 0.00 N ATOM 860 CA LEU A 54 -20.175 0.646 -11.486 1.00 0.00 C ATOM 861 C LEU A 54 -21.285 0.179 -10.546 1.00 0.00 C ATOM 862 O LEU A 54 -21.848 0.978 -9.786 1.00 0.00 O ATOM 863 CB LEU A 54 -18.891 0.979 -10.684 1.00 0.00 C ATOM 864 CG LEU A 54 -17.738 1.691 -11.475 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.451 1.733 -10.643 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.503 1.045 -12.863 1.00 0.00 C ATOM 0 H LEU A 54 -20.666 2.675 -11.698 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.939 -0.157 -12.184 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.169 1.613 -9.842 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.498 0.051 -10.269 1.00 0.00 H new ATOM 0 HG LEU A 54 -18.050 2.719 -11.659 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.666 2.231 -11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.633 2.281 -9.719 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.138 0.716 -10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.697 1.569 -13.376 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.232 -0.003 -12.735 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.415 1.114 -13.456 1.00 0.00 H new ATOM 878 N GLU A 55 -21.585 -1.123 -10.614 1.00 0.00 N ATOM 879 CA GLU A 55 -22.603 -1.753 -9.772 1.00 0.00 C ATOM 880 C GLU A 55 -22.025 -1.980 -8.365 1.00 0.00 C ATOM 881 O GLU A 55 -20.921 -2.527 -8.256 1.00 0.00 O ATOM 882 CB GLU A 55 -23.063 -3.095 -10.390 1.00 0.00 C ATOM 883 CG GLU A 55 -23.492 -2.998 -11.864 1.00 0.00 C ATOM 884 CD GLU A 55 -24.140 -4.292 -12.375 1.00 0.00 C ATOM 885 OE1 GLU A 55 -23.509 -5.029 -13.166 1.00 0.00 O ATOM 886 OE2 GLU A 55 -25.278 -4.599 -11.950 1.00 0.00 O ATOM 0 H GLU A 55 -21.127 -1.769 -11.257 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.471 -1.097 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.251 -3.817 -10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.897 -3.484 -9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -24.195 -2.173 -11.981 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -22.622 -2.765 -12.478 1.00 0.00 H new ATOM 893 N PRO A 56 -22.766 -1.582 -7.274 1.00 0.00 N ATOM 894 CA PRO A 56 -22.256 -1.643 -5.874 1.00 0.00 C ATOM 895 C PRO A 56 -21.844 -3.076 -5.456 1.00 0.00 C ATOM 896 O PRO A 56 -20.803 -3.272 -4.809 1.00 0.00 O ATOM 897 CB PRO A 56 -23.444 -1.094 -5.021 1.00 0.00 C ATOM 898 CG PRO A 56 -24.654 -1.252 -5.901 1.00 0.00 C ATOM 899 CD PRO A 56 -24.154 -1.048 -7.319 1.00 0.00 C ATOM 0 HA PRO A 56 -21.344 -1.062 -5.740 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.555 -1.653 -4.092 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -23.286 -0.050 -4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -25.101 -2.239 -5.781 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -25.422 -0.522 -5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.768 -1.584 -8.043 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -24.171 0.004 -7.604 1.00 0.00 H new ATOM 907 N ARG A 57 -22.659 -4.055 -5.890 1.00 0.00 N ATOM 908 CA ARG A 57 -22.467 -5.495 -5.605 1.00 0.00 C ATOM 909 C ARG A 57 -21.101 -6.020 -6.109 1.00 0.00 C ATOM 910 O ARG A 57 -20.475 -6.874 -5.469 1.00 0.00 O ATOM 911 CB ARG A 57 -23.612 -6.313 -6.275 1.00 0.00 C ATOM 912 CG ARG A 57 -23.709 -6.127 -7.815 1.00 0.00 C ATOM 913 CD ARG A 57 -24.721 -7.061 -8.488 1.00 0.00 C ATOM 914 NE ARG A 57 -24.695 -6.911 -9.959 1.00 0.00 N ATOM 915 CZ ARG A 57 -24.926 -7.893 -10.850 1.00 0.00 C ATOM 916 NH1 ARG A 57 -25.218 -9.123 -10.452 1.00 0.00 N ATOM 917 NH2 ARG A 57 -24.838 -7.640 -12.145 1.00 0.00 N ATOM 0 H ARG A 57 -23.485 -3.868 -6.459 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.488 -5.619 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.464 -7.371 -6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.562 -6.024 -5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -23.983 -5.094 -8.030 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -22.726 -6.295 -8.255 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -24.498 -8.094 -8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.722 -6.844 -8.116 1.00 0.00 H new ATOM 0 HE ARG A 57 -24.484 -5.985 -10.330 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -25.271 -9.338 -9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -25.390 -9.855 -11.141 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -24.596 -6.703 -12.466 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -25.012 -8.382 -12.823 1.00 0.00 H new ATOM 931 N THR A 58 -20.656 -5.480 -7.252 1.00 0.00 N ATOM 932 CA THR A 58 -19.515 -5.999 -8.017 1.00 0.00 C ATOM 933 C THR A 58 -18.164 -5.539 -7.408 1.00 0.00 C ATOM 934 O THR A 58 -18.121 -4.569 -6.654 1.00 0.00 O ATOM 935 CB THR A 58 -19.659 -5.534 -9.498 1.00 0.00 C ATOM 936 OG1 THR A 58 -20.999 -5.789 -9.962 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.670 -6.235 -10.440 1.00 0.00 C ATOM 0 H THR A 58 -21.085 -4.658 -7.677 1.00 0.00 H new ATOM 0 HA THR A 58 -19.517 -7.088 -7.975 1.00 0.00 H new ATOM 0 HB THR A 58 -19.437 -4.467 -9.514 1.00 0.00 H new ATOM 0 HG1 THR A 58 -21.043 -5.644 -10.930 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.817 -5.872 -11.457 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.650 -6.021 -10.122 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.840 -7.311 -10.411 1.00 0.00 H new ATOM 945 N THR A 59 -17.079 -6.264 -7.729 1.00 0.00 N ATOM 946 CA THR A 59 -15.734 -6.027 -7.174 1.00 0.00 C ATOM 947 C THR A 59 -14.950 -4.989 -8.017 1.00 0.00 C ATOM 948 O THR A 59 -15.325 -4.688 -9.160 1.00 0.00 O ATOM 949 CB THR A 59 -14.951 -7.389 -7.122 1.00 0.00 C ATOM 950 OG1 THR A 59 -15.873 -8.466 -6.885 1.00 0.00 O ATOM 951 CG2 THR A 59 -13.886 -7.410 -6.017 1.00 0.00 C ATOM 0 H THR A 59 -17.111 -7.041 -8.389 1.00 0.00 H new ATOM 0 HA THR A 59 -15.838 -5.621 -6.168 1.00 0.00 H new ATOM 0 HB THR A 59 -14.449 -7.506 -8.082 1.00 0.00 H new ATOM 0 HG1 THR A 59 -15.384 -9.315 -6.855 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.374 -8.372 -6.023 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.163 -6.613 -6.193 1.00 0.00 H new ATOM 0 HG23 THR A 59 -14.363 -7.259 -5.049 1.00 0.00 H new ATOM 959 N LEU A 60 -13.853 -4.471 -7.435 1.00 0.00 N ATOM 960 CA LEU A 60 -12.953 -3.486 -8.081 1.00 0.00 C ATOM 961 C LEU A 60 -12.161 -4.120 -9.241 1.00 0.00 C ATOM 962 O LEU A 60 -12.066 -3.542 -10.331 1.00 0.00 O ATOM 963 CB LEU A 60 -11.972 -2.876 -7.020 1.00 0.00 C ATOM 964 CG LEU A 60 -12.469 -1.620 -6.229 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.849 -1.835 -5.606 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.453 -1.214 -5.148 1.00 0.00 C ATOM 0 H LEU A 60 -13.559 -4.725 -6.492 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.570 -2.690 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.727 -3.655 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.046 -2.610 -7.529 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.559 -0.809 -6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.150 -0.936 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.574 -2.047 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.808 -2.676 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.822 -0.339 -4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.318 -2.038 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.498 -0.977 -5.617 1.00 0.00 H new ATOM 978 N GLU A 61 -11.602 -5.312 -8.968 1.00 0.00 N ATOM 979 CA GLU A 61 -10.814 -6.119 -9.937 1.00 0.00 C ATOM 980 C GLU A 61 -11.584 -6.363 -11.263 1.00 0.00 C ATOM 981 O GLU A 61 -10.975 -6.479 -12.335 1.00 0.00 O ATOM 982 CB GLU A 61 -10.447 -7.476 -9.279 1.00 0.00 C ATOM 983 CG GLU A 61 -11.670 -8.249 -8.742 1.00 0.00 C ATOM 984 CD GLU A 61 -11.323 -9.547 -8.003 1.00 0.00 C ATOM 985 OE1 GLU A 61 -10.936 -9.478 -6.817 1.00 0.00 O ATOM 986 OE2 GLU A 61 -11.439 -10.639 -8.600 1.00 0.00 O ATOM 0 H GLU A 61 -11.682 -5.756 -8.053 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.913 -5.561 -10.190 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.927 -8.096 -10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.751 -7.297 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.228 -7.599 -8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.330 -8.485 -9.576 1.00 0.00 H new ATOM 993 N GLU A 62 -12.924 -6.438 -11.149 1.00 0.00 N ATOM 994 CA GLU A 62 -13.845 -6.615 -12.282 1.00 0.00 C ATOM 995 C GLU A 62 -13.804 -5.409 -13.231 1.00 0.00 C ATOM 996 O GLU A 62 -13.708 -5.570 -14.447 1.00 0.00 O ATOM 997 CB GLU A 62 -15.286 -6.830 -11.744 1.00 0.00 C ATOM 998 CG GLU A 62 -15.533 -8.204 -11.095 1.00 0.00 C ATOM 999 CD GLU A 62 -15.461 -9.339 -12.132 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -16.408 -9.480 -12.930 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -14.452 -10.072 -12.177 1.00 0.00 O ATOM 0 H GLU A 62 -13.402 -6.376 -10.250 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.531 -7.490 -12.851 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.505 -6.053 -11.012 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.989 -6.700 -12.567 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.793 -8.377 -10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.511 -8.210 -10.615 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.845 -4.201 -12.651 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.890 -2.936 -13.423 1.00 0.00 C ATOM 1010 C TYR A 63 -12.491 -2.383 -13.719 1.00 0.00 C ATOM 1011 O TYR A 63 -12.381 -1.322 -14.344 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.722 -1.878 -12.667 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.189 -2.269 -12.485 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -16.756 -2.412 -11.222 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -17.005 -2.490 -13.593 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.078 -2.755 -11.074 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.327 -2.835 -13.445 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.859 -2.966 -12.185 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.181 -3.312 -12.037 1.00 0.00 O ATOM 0 H TYR A 63 -13.848 -4.066 -11.640 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.362 -3.162 -14.379 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.275 -1.709 -11.687 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.671 -0.933 -13.208 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.147 -2.251 -10.345 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.591 -2.388 -14.585 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.503 -2.859 -10.086 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.945 -3.002 -14.315 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.591 -3.423 -12.920 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.442 -3.105 -13.263 1.00 0.00 N ATOM 1030 CA ASN A 64 -10.031 -2.696 -13.417 1.00 0.00 C ATOM 1031 C ASN A 64 -9.805 -1.331 -12.725 1.00 0.00 C ATOM 1032 O ASN A 64 -9.274 -0.379 -13.306 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.617 -2.707 -14.930 1.00 0.00 C ATOM 1034 CG ASN A 64 -8.120 -2.449 -15.187 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -7.301 -3.367 -15.140 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -7.762 -1.208 -15.499 1.00 0.00 N ATOM 0 H ASN A 64 -11.554 -3.994 -12.775 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.377 -3.414 -12.922 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.885 -3.672 -15.359 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.198 -1.951 -15.458 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.786 -0.996 -15.707 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.463 -0.468 -15.530 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.269 -1.241 -11.465 1.00 0.00 N ATOM 1044 CA ILE A 65 -10.066 -0.048 -10.627 1.00 0.00 C ATOM 1045 C ILE A 65 -8.600 -0.032 -10.159 1.00 0.00 C ATOM 1046 O ILE A 65 -8.275 -0.521 -9.082 1.00 0.00 O ATOM 1047 CB ILE A 65 -11.060 -0.025 -9.401 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.536 -0.192 -9.870 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.905 1.260 -8.549 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -13.045 0.909 -10.764 1.00 0.00 C ATOM 0 H ILE A 65 -10.790 -1.987 -11.004 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.277 0.848 -11.211 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.799 -0.873 -8.768 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.629 -1.141 -10.398 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.177 -0.252 -8.990 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.609 1.232 -7.717 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.888 1.319 -8.162 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -11.109 2.134 -9.168 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -14.080 0.706 -11.038 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.990 1.861 -10.236 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.434 0.958 -11.665 1.00 0.00 H new ATOM 1062 N THR A 66 -7.724 0.467 -11.037 1.00 0.00 N ATOM 1063 CA THR A 66 -6.267 0.428 -10.863 1.00 0.00 C ATOM 1064 C THR A 66 -5.735 1.752 -10.284 1.00 0.00 C ATOM 1065 O THR A 66 -6.393 2.784 -10.419 1.00 0.00 O ATOM 1066 CB THR A 66 -5.597 0.084 -12.241 1.00 0.00 C ATOM 1067 OG1 THR A 66 -6.218 0.836 -13.303 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.685 -1.421 -12.539 1.00 0.00 C ATOM 0 H THR A 66 -8.012 0.918 -11.905 1.00 0.00 H new ATOM 0 HA THR A 66 -6.011 -0.348 -10.142 1.00 0.00 H new ATOM 0 HB THR A 66 -4.544 0.359 -12.180 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.790 0.613 -14.156 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.213 -1.630 -13.499 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.173 -1.978 -11.754 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.731 -1.724 -12.575 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.527 1.749 -9.622 1.00 0.00 N ATOM 1077 CA PRO A 67 -4.010 2.937 -8.904 1.00 0.00 C ATOM 1078 C PRO A 67 -3.721 4.119 -9.858 1.00 0.00 C ATOM 1079 O PRO A 67 -3.069 3.947 -10.897 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.716 2.424 -8.215 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.290 1.246 -9.038 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.568 0.608 -9.534 1.00 0.00 C ATOM 0 HA PRO A 67 -4.735 3.334 -8.193 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.945 3.194 -8.197 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.905 2.137 -7.181 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.660 1.558 -9.871 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.707 0.543 -8.443 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.426 0.130 -10.503 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.923 -0.161 -8.848 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.244 5.303 -9.498 1.00 0.00 N ATOM 1091 CA GLY A 68 -4.016 6.540 -10.242 1.00 0.00 C ATOM 1092 C GLY A 68 -5.242 7.024 -11.003 1.00 0.00 C ATOM 1093 O GLY A 68 -5.256 8.166 -11.478 1.00 0.00 O ATOM 0 H GLY A 68 -4.839 5.423 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.697 7.318 -9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.198 6.386 -10.946 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.278 6.164 -11.132 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.513 6.523 -11.859 1.00 0.00 C ATOM 1099 C VAL A 69 -8.411 7.448 -11.025 1.00 0.00 C ATOM 1100 O VAL A 69 -8.364 7.443 -9.784 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.339 5.263 -12.315 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.499 4.362 -13.248 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.915 4.467 -11.111 1.00 0.00 C ATOM 0 H VAL A 69 -6.282 5.221 -10.743 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.185 7.052 -12.754 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.197 5.626 -12.881 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.091 3.498 -13.550 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.206 4.927 -14.132 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.607 4.024 -12.721 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.476 3.608 -11.478 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.097 4.123 -10.478 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.576 5.111 -10.532 1.00 0.00 H new ATOM 1113 N THR A 70 -9.228 8.239 -11.735 1.00 0.00 N ATOM 1114 CA THR A 70 -10.176 9.171 -11.131 1.00 0.00 C ATOM 1115 C THR A 70 -11.608 8.656 -11.354 1.00 0.00 C ATOM 1116 O THR A 70 -12.168 8.777 -12.453 1.00 0.00 O ATOM 1117 CB THR A 70 -10.017 10.607 -11.730 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.629 10.973 -11.723 1.00 0.00 O ATOM 1119 CG2 THR A 70 -10.818 11.659 -10.938 1.00 0.00 C ATOM 0 H THR A 70 -9.245 8.246 -12.755 1.00 0.00 H new ATOM 0 HA THR A 70 -9.972 9.233 -10.062 1.00 0.00 H new ATOM 0 HB THR A 70 -10.407 10.585 -12.748 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.526 11.872 -12.099 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.677 12.640 -11.391 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.877 11.400 -10.956 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.468 11.682 -9.906 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.151 8.002 -10.323 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.585 7.702 -10.223 1.00 0.00 C ATOM 1129 C LEU A 71 -14.363 9.012 -10.068 1.00 0.00 C ATOM 1130 O LEU A 71 -13.841 9.990 -9.529 1.00 0.00 O ATOM 1131 CB LEU A 71 -13.881 6.747 -9.018 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.739 5.200 -9.274 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.501 4.832 -10.115 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.726 4.434 -7.936 1.00 0.00 C ATOM 0 H LEU A 71 -11.607 7.664 -9.530 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.902 7.192 -11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.212 7.017 -8.201 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.897 6.941 -8.675 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.609 4.902 -9.859 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.464 3.752 -10.254 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.563 5.321 -11.087 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.599 5.163 -9.600 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.627 3.366 -8.129 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.885 4.773 -7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.657 4.621 -7.400 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.604 9.026 -10.549 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.489 10.192 -10.432 1.00 0.00 C ATOM 1148 C GLU A 72 -17.816 9.758 -9.818 1.00 0.00 C ATOM 1149 O GLU A 72 -18.206 8.593 -9.917 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.700 10.863 -11.811 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.419 11.488 -12.417 1.00 0.00 C ATOM 1152 CD GLU A 72 -15.681 12.231 -13.734 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -15.707 13.480 -13.737 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -15.885 11.568 -14.769 1.00 0.00 O ATOM 0 H GLU A 72 -16.028 8.233 -11.031 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.026 10.933 -9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.093 10.122 -12.507 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.458 11.640 -11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.983 12.180 -11.696 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.684 10.702 -12.590 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.485 10.697 -9.149 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.793 10.463 -8.530 1.00 0.00 C ATOM 1163 C LEU A 73 -20.853 11.239 -9.287 1.00 0.00 C ATOM 1164 O LEU A 73 -20.826 12.465 -9.309 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.778 10.865 -7.036 1.00 0.00 C ATOM 1166 CG LEU A 73 -18.895 9.979 -6.111 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -18.949 10.460 -4.645 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.294 8.483 -6.230 1.00 0.00 C ATOM 0 H LEU A 73 -18.135 11.646 -9.020 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.025 9.399 -8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.433 11.896 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.801 10.843 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.862 10.078 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.321 9.818 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.588 11.487 -4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.977 10.416 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.662 7.885 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.337 8.361 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.163 8.152 -7.260 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.742 10.506 -9.964 1.00 0.00 N ATOM 1181 CA LYS A 74 -22.903 11.071 -10.674 1.00 0.00 C ATOM 1182 C LYS A 74 -24.153 10.856 -9.811 1.00 0.00 C ATOM 1183 O LYS A 74 -24.254 9.835 -9.130 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.047 10.404 -12.082 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.161 11.019 -13.207 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.660 11.138 -12.841 1.00 0.00 C ATOM 1187 CE LYS A 74 -19.814 11.770 -13.952 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.321 13.108 -14.350 1.00 0.00 N ATOM 0 H LYS A 74 -21.679 9.491 -10.038 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.769 12.140 -10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.805 9.345 -11.990 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.091 10.467 -12.390 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.257 10.408 -14.104 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.543 12.010 -13.454 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.560 11.734 -11.934 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.268 10.146 -12.615 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.782 11.860 -13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -19.808 11.112 -14.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.623 13.576 -14.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.217 13.000 -14.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.479 13.686 -13.500 1.00 0.00 H new ATOM 1202 N THR A 75 -25.088 11.818 -9.829 1.00 0.00 N ATOM 1203 CA THR A 75 -26.314 11.755 -9.005 1.00 0.00 C ATOM 1204 C THR A 75 -27.210 10.555 -9.390 1.00 0.00 C ATOM 1205 O THR A 75 -27.264 10.150 -10.554 1.00 0.00 O ATOM 1206 CB THR A 75 -27.135 13.086 -9.088 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.248 13.505 -10.462 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.497 14.212 -8.241 1.00 0.00 C ATOM 0 H THR A 75 -25.021 12.655 -10.408 1.00 0.00 H new ATOM 0 HA THR A 75 -25.985 11.615 -7.975 1.00 0.00 H new ATOM 0 HB THR A 75 -28.127 12.891 -8.680 1.00 0.00 H new ATOM 0 HG1 THR A 75 -27.764 14.337 -10.509 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.098 15.117 -8.327 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.455 13.902 -7.197 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.488 14.411 -8.602 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.903 10.002 -8.385 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.780 8.841 -8.533 1.00 0.00 C ATOM 1218 C ARG A 76 -30.194 9.258 -8.124 1.00 0.00 C ATOM 1219 O ARG A 76 -30.416 9.625 -6.966 1.00 0.00 O ATOM 1220 CB ARG A 76 -28.274 7.666 -7.647 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.962 6.317 -7.940 1.00 0.00 C ATOM 1222 CD ARG A 76 -28.415 5.150 -7.093 1.00 0.00 C ATOM 1223 NE ARG A 76 -28.938 5.166 -5.717 1.00 0.00 N ATOM 1224 CZ ARG A 76 -28.993 4.101 -4.904 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -28.513 2.925 -5.288 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -29.534 4.220 -3.703 1.00 0.00 N ATOM 0 H ARG A 76 -27.866 10.359 -7.430 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.781 8.498 -9.567 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -27.199 7.553 -7.791 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.430 7.922 -6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -30.032 6.417 -7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.839 6.078 -8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -28.677 4.205 -7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -27.327 5.202 -7.066 1.00 0.00 H new ATOM 0 HE ARG A 76 -29.285 6.054 -5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -28.095 2.822 -6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -28.562 2.124 -4.658 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -29.907 5.119 -3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -29.578 3.413 -3.081 1.00 0.00 H new