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 8 LYS NZ :NH3+ 158:sc= 1 (180deg=0.718) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.149 USER MOD Set 2.1: A 49 TYR OH : rot 61:sc= 0.307 USER MOD Set 2.2: A 64 ASN : amide:sc= -0.0122 K(o=0.35,f=-0.2) USER MOD Set 2.3: A 66 THR OG1 : rot -119:sc= 0.0515 USER MOD Set 3.1: A 58 THR OG1 : rot 180:sc= -0.158 USER MOD Set 3.2: A 63 TYR OH : rot 70:sc= 0.483 USER MOD Single : A 4 SER OG : rot 37:sc= -0.523 USER MOD Single : A 11 THR OG1 : rot -69:sc= -0.178 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0181 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+ -163:sc= -1.49 (180deg=-2.63!) USER MOD Single : A 26 THR OG1 : rot 171:sc= -0.197 USER MOD Single : A 31 MET CE :methyl -153:sc= -0.243 (180deg=-2.18) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= 0.97 (180deg=0.534) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 38 THR OG1 : rot -33:sc= -0.185 USER MOD Single : A 44 GLN : amide:sc= -1.4 K(o=-1.4,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.0872 K(o=-0.087,f=-2.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.577 USER MOD Single : A 74 LYS NZ :NH3+ -112:sc= 0.0162 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -2.833 -3.480 -2.105 1.00 0.00 N ATOM 29 CA SER A 4 -3.805 -2.392 -2.237 1.00 0.00 C ATOM 30 C SER A 4 -3.454 -1.525 -3.468 1.00 0.00 C ATOM 31 O SER A 4 -2.585 -1.893 -4.273 1.00 0.00 O ATOM 32 CB SER A 4 -3.801 -1.557 -0.940 1.00 0.00 C ATOM 33 OG SER A 4 -4.152 -2.351 0.180 1.00 0.00 O ATOM 0 HA SER A 4 -4.806 -2.795 -2.388 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.813 -1.123 -0.786 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.502 -0.728 -1.036 1.00 0.00 H new ATOM 0 HG SER A 4 -3.766 -3.246 0.080 1.00 0.00 H new ATOM 39 N LEU A 5 -4.160 -0.390 -3.612 1.00 0.00 N ATOM 40 CA LEU A 5 -3.990 0.557 -4.722 1.00 0.00 C ATOM 41 C LEU A 5 -4.666 1.895 -4.380 1.00 0.00 C ATOM 42 O LEU A 5 -5.770 1.919 -3.826 1.00 0.00 O ATOM 43 CB LEU A 5 -4.516 -0.050 -6.068 1.00 0.00 C ATOM 44 CG LEU A 5 -5.856 -0.881 -6.036 1.00 0.00 C ATOM 45 CD1 LEU A 5 -7.126 0.003 -5.995 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.905 -1.874 -7.215 1.00 0.00 C ATOM 0 H LEU A 5 -4.877 -0.102 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.927 0.750 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.649 0.770 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.734 -0.694 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.853 -1.441 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.011 -0.633 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.106 0.627 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.156 0.638 -6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.837 -2.439 -7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.852 -1.325 -8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.061 -2.561 -7.147 1.00 0.00 H new ATOM 58 N GLU A 6 -3.995 3.004 -4.719 1.00 0.00 N ATOM 59 CA GLU A 6 -4.449 4.356 -4.364 1.00 0.00 C ATOM 60 C GLU A 6 -5.158 5.019 -5.560 1.00 0.00 C ATOM 61 O GLU A 6 -4.520 5.424 -6.537 1.00 0.00 O ATOM 62 CB GLU A 6 -3.260 5.215 -3.869 1.00 0.00 C ATOM 63 CG GLU A 6 -3.655 6.633 -3.421 1.00 0.00 C ATOM 64 CD GLU A 6 -2.458 7.486 -2.984 1.00 0.00 C ATOM 65 OE1 GLU A 6 -1.605 7.808 -3.841 1.00 0.00 O ATOM 66 OE2 GLU A 6 -2.359 7.836 -1.791 1.00 0.00 O ATOM 0 H GLU A 6 -3.122 2.990 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.169 4.280 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.778 4.703 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.522 5.290 -4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.170 7.135 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.363 6.562 -2.595 1.00 0.00 H new ATOM 73 N ILE A 7 -6.488 5.084 -5.470 1.00 0.00 N ATOM 74 CA ILE A 7 -7.361 5.709 -6.481 1.00 0.00 C ATOM 75 C ILE A 7 -7.869 7.070 -5.972 1.00 0.00 C ATOM 76 O ILE A 7 -7.568 7.471 -4.843 1.00 0.00 O ATOM 77 CB ILE A 7 -8.575 4.768 -6.809 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.460 4.541 -5.532 1.00 0.00 C ATOM 79 CG2 ILE A 7 -8.063 3.427 -7.383 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.715 3.725 -5.758 1.00 0.00 C ATOM 0 H ILE A 7 -7.004 4.698 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.784 5.866 -7.392 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.201 5.246 -7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.855 4.046 -4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.745 5.513 -5.129 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.911 2.780 -7.608 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.497 3.614 -8.296 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.419 2.940 -6.651 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.257 3.624 -4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.348 4.226 -6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.444 2.736 -6.129 1.00 0.00 H new ATOM 92 N LYS A 8 -8.641 7.778 -6.817 1.00 0.00 N ATOM 93 CA LYS A 8 -9.213 9.095 -6.480 1.00 0.00 C ATOM 94 C LYS A 8 -10.709 9.126 -6.858 1.00 0.00 C ATOM 95 O LYS A 8 -11.056 8.778 -7.982 1.00 0.00 O ATOM 96 CB LYS A 8 -8.453 10.213 -7.248 1.00 0.00 C ATOM 97 CG LYS A 8 -6.898 10.237 -7.068 1.00 0.00 C ATOM 98 CD LYS A 8 -6.125 9.929 -8.375 1.00 0.00 C ATOM 99 CE LYS A 8 -6.406 10.968 -9.476 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.659 10.677 -10.728 1.00 0.00 N ATOM 0 H LYS A 8 -8.886 7.453 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.110 9.265 -5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.674 10.110 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.850 11.178 -6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.597 11.217 -6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.616 9.509 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.056 9.905 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.402 8.938 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.475 10.989 -9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.134 11.960 -9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.131 11.141 -11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.687 11.037 -10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.635 9.650 -10.887 1.00 0.00 H new ATOM 114 N ILE A 9 -11.591 9.528 -5.914 1.00 0.00 N ATOM 115 CA ILE A 9 -13.045 9.646 -6.166 1.00 0.00 C ATOM 116 C ILE A 9 -13.444 11.137 -6.204 1.00 0.00 C ATOM 117 O ILE A 9 -13.607 11.777 -5.156 1.00 0.00 O ATOM 118 CB ILE A 9 -13.951 8.891 -5.097 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.676 7.339 -5.041 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.461 9.146 -5.381 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.378 6.919 -4.369 1.00 0.00 C ATOM 0 H ILE A 9 -11.317 9.778 -4.964 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.227 9.162 -7.126 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.682 9.302 -4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.505 6.861 -4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.677 6.952 -6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.064 8.622 -4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.666 10.215 -5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.711 8.780 -6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.294 5.832 -4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.534 7.358 -4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.375 7.265 -3.335 1.00 0.00 H new ATOM 133 N ARG A 10 -13.543 11.682 -7.418 1.00 0.00 N ATOM 134 CA ARG A 10 -14.146 12.995 -7.672 1.00 0.00 C ATOM 135 C ARG A 10 -15.643 12.948 -7.300 1.00 0.00 C ATOM 136 O ARG A 10 -16.377 12.087 -7.783 1.00 0.00 O ATOM 137 CB ARG A 10 -13.994 13.373 -9.169 1.00 0.00 C ATOM 138 CG ARG A 10 -14.664 14.708 -9.565 1.00 0.00 C ATOM 139 CD ARG A 10 -14.743 14.910 -11.085 1.00 0.00 C ATOM 140 NE ARG A 10 -15.433 16.161 -11.421 1.00 0.00 N ATOM 141 CZ ARG A 10 -15.838 16.522 -12.644 1.00 0.00 C ATOM 142 NH1 ARG A 10 -15.685 15.724 -13.691 1.00 0.00 N ATOM 143 NH2 ARG A 10 -16.440 17.679 -12.799 1.00 0.00 N ATOM 0 H ARG A 10 -13.204 11.221 -8.262 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.639 13.745 -7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.933 13.428 -9.411 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.418 12.574 -9.777 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.670 14.742 -9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.107 15.534 -9.122 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.737 14.923 -11.505 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.268 14.069 -11.539 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.620 16.811 -10.657 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.249 14.809 -13.576 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.003 16.025 -14.612 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.592 18.287 -11.994 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.755 17.970 -13.724 1.00 0.00 H new ATOM 157 N THR A 11 -16.070 13.847 -6.418 1.00 0.00 N ATOM 158 CA THR A 11 -17.480 13.979 -6.018 1.00 0.00 C ATOM 159 C THR A 11 -18.259 14.919 -6.963 1.00 0.00 C ATOM 160 O THR A 11 -17.676 15.544 -7.861 1.00 0.00 O ATOM 161 CB THR A 11 -17.547 14.536 -4.571 1.00 0.00 C ATOM 162 OG1 THR A 11 -16.963 15.847 -4.546 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.795 13.641 -3.585 1.00 0.00 C ATOM 0 H THR A 11 -15.450 14.511 -5.954 1.00 0.00 H new ATOM 0 HA THR A 11 -17.941 12.993 -6.072 1.00 0.00 H new ATOM 0 HB THR A 11 -18.594 14.570 -4.271 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.996 15.777 -4.686 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.865 14.064 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.236 12.644 -3.589 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.747 13.576 -3.879 1.00 0.00 H new ATOM 171 N THR A 12 -19.581 15.016 -6.729 1.00 0.00 N ATOM 172 CA THR A 12 -20.440 16.053 -7.330 1.00 0.00 C ATOM 173 C THR A 12 -20.047 17.452 -6.804 1.00 0.00 C ATOM 174 O THR A 12 -20.216 18.455 -7.502 1.00 0.00 O ATOM 175 CB THR A 12 -21.948 15.770 -7.021 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.097 15.382 -5.641 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.537 14.683 -7.930 1.00 0.00 C ATOM 0 H THR A 12 -20.085 14.375 -6.116 1.00 0.00 H new ATOM 0 HA THR A 12 -20.295 16.029 -8.410 1.00 0.00 H new ATOM 0 HB THR A 12 -22.498 16.691 -7.215 1.00 0.00 H new ATOM 0 HG1 THR A 12 -23.042 15.207 -5.451 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.585 14.524 -7.675 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.460 14.998 -8.971 1.00 0.00 H new ATOM 0 HG23 THR A 12 -21.985 13.754 -7.791 1.00 0.00 H new ATOM 185 N GLU A 13 -19.501 17.479 -5.565 1.00 0.00 N ATOM 186 CA GLU A 13 -19.007 18.702 -4.900 1.00 0.00 C ATOM 187 C GLU A 13 -17.786 19.290 -5.643 1.00 0.00 C ATOM 188 O GLU A 13 -17.497 20.481 -5.530 1.00 0.00 O ATOM 189 CB GLU A 13 -18.628 18.390 -3.418 1.00 0.00 C ATOM 190 CG GLU A 13 -19.711 17.636 -2.608 1.00 0.00 C ATOM 191 CD GLU A 13 -21.063 18.369 -2.561 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.978 18.026 -3.346 1.00 0.00 O ATOM 193 OE2 GLU A 13 -21.212 19.307 -1.751 1.00 0.00 O ATOM 0 H GLU A 13 -19.391 16.640 -4.995 1.00 0.00 H new ATOM 0 HA GLU A 13 -19.806 19.443 -4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.713 17.798 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.405 19.329 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.857 16.648 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.353 17.485 -1.590 1.00 0.00 H new ATOM 200 N GLY A 14 -17.073 18.421 -6.386 1.00 0.00 N ATOM 201 CA GLY A 14 -15.917 18.823 -7.194 1.00 0.00 C ATOM 202 C GLY A 14 -14.598 18.343 -6.607 1.00 0.00 C ATOM 203 O GLY A 14 -13.620 18.147 -7.344 1.00 0.00 O ATOM 0 H GLY A 14 -17.286 17.425 -6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.028 18.425 -8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.898 19.909 -7.280 1.00 0.00 H new ATOM 207 N ARG A 15 -14.577 18.158 -5.268 1.00 0.00 N ATOM 208 CA ARG A 15 -13.394 17.660 -4.535 1.00 0.00 C ATOM 209 C ARG A 15 -13.074 16.204 -4.928 1.00 0.00 C ATOM 210 O ARG A 15 -13.975 15.365 -5.006 1.00 0.00 O ATOM 211 CB ARG A 15 -13.616 17.765 -2.999 1.00 0.00 C ATOM 212 CG ARG A 15 -14.889 17.058 -2.477 1.00 0.00 C ATOM 213 CD ARG A 15 -14.939 16.938 -0.954 1.00 0.00 C ATOM 214 NE ARG A 15 -14.810 18.242 -0.279 1.00 0.00 N ATOM 215 CZ ARG A 15 -15.429 18.599 0.855 1.00 0.00 C ATOM 216 NH1 ARG A 15 -16.337 17.812 1.423 1.00 0.00 N ATOM 217 NH2 ARG A 15 -15.157 19.775 1.392 1.00 0.00 N ATOM 0 H ARG A 15 -15.379 18.350 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.544 18.284 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.749 17.343 -2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.664 18.819 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.766 17.607 -2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.946 16.061 -2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.880 16.472 -0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.139 16.278 -0.619 1.00 0.00 H new ATOM 0 HE ARG A 15 -14.197 18.932 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.575 16.917 0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.796 18.103 2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.484 20.397 0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.620 20.061 2.255 1.00 0.00 H new ATOM 231 N THR A 16 -11.791 15.928 -5.181 1.00 0.00 N ATOM 232 CA THR A 16 -11.318 14.600 -5.577 1.00 0.00 C ATOM 233 C THR A 16 -10.618 13.923 -4.375 1.00 0.00 C ATOM 234 O THR A 16 -9.650 14.450 -3.836 1.00 0.00 O ATOM 235 CB THR A 16 -10.370 14.730 -6.807 1.00 0.00 C ATOM 236 OG1 THR A 16 -11.016 15.532 -7.810 1.00 0.00 O ATOM 237 CG2 THR A 16 -10.023 13.367 -7.419 1.00 0.00 C ATOM 0 H THR A 16 -11.048 16.624 -5.116 1.00 0.00 H new ATOM 0 HA THR A 16 -12.158 13.971 -5.871 1.00 0.00 H new ATOM 0 HB THR A 16 -9.444 15.191 -6.465 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.426 15.621 -8.588 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.360 13.510 -8.273 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.525 12.749 -6.672 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.937 12.872 -7.748 1.00 0.00 H new ATOM 245 N LEU A 17 -11.148 12.761 -3.962 1.00 0.00 N ATOM 246 CA LEU A 17 -10.795 12.088 -2.696 1.00 0.00 C ATOM 247 C LEU A 17 -9.804 10.941 -2.950 1.00 0.00 C ATOM 248 O LEU A 17 -10.211 9.827 -3.311 1.00 0.00 O ATOM 249 CB LEU A 17 -12.099 11.556 -2.035 1.00 0.00 C ATOM 250 CG LEU A 17 -13.222 12.617 -1.817 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.554 11.945 -1.424 1.00 0.00 C ATOM 252 CD2 LEU A 17 -12.795 13.699 -0.792 1.00 0.00 C ATOM 0 H LEU A 17 -11.845 12.252 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.310 12.797 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.498 10.752 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.844 11.119 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.383 13.128 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.318 12.709 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.867 11.265 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.420 11.385 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.603 14.420 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.578 13.227 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.904 14.212 -1.154 1.00 0.00 H new ATOM 264 N THR A 18 -8.506 11.231 -2.788 1.00 0.00 N ATOM 265 CA THR A 18 -7.431 10.253 -3.011 1.00 0.00 C ATOM 266 C THR A 18 -7.333 9.274 -1.813 1.00 0.00 C ATOM 267 O THR A 18 -6.818 9.634 -0.744 1.00 0.00 O ATOM 268 CB THR A 18 -6.066 10.985 -3.247 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.239 12.013 -4.238 1.00 0.00 O ATOM 270 CG2 THR A 18 -4.959 10.023 -3.712 1.00 0.00 C ATOM 0 H THR A 18 -8.171 12.150 -2.499 1.00 0.00 H new ATOM 0 HA THR A 18 -7.666 9.675 -3.905 1.00 0.00 H new ATOM 0 HB THR A 18 -5.757 11.414 -2.293 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.386 12.473 -4.385 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.033 10.579 -3.862 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.803 9.255 -2.955 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.256 9.553 -4.650 1.00 0.00 H new ATOM 278 N VAL A 19 -7.882 8.053 -1.990 1.00 0.00 N ATOM 279 CA VAL A 19 -7.900 6.994 -0.949 1.00 0.00 C ATOM 280 C VAL A 19 -7.249 5.706 -1.493 1.00 0.00 C ATOM 281 O VAL A 19 -7.230 5.484 -2.709 1.00 0.00 O ATOM 282 CB VAL A 19 -9.370 6.678 -0.449 1.00 0.00 C ATOM 283 CG1 VAL A 19 -10.065 7.952 0.098 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.237 6.005 -1.554 1.00 0.00 C ATOM 0 H VAL A 19 -8.328 7.769 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.330 7.365 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.276 5.963 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.072 7.702 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.491 8.348 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.121 8.703 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.235 5.808 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.309 6.669 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.774 5.066 -1.858 1.00 0.00 H new ATOM 294 N ASP A 20 -6.730 4.856 -0.590 1.00 0.00 N ATOM 295 CA ASP A 20 -6.116 3.568 -0.964 1.00 0.00 C ATOM 296 C ASP A 20 -6.951 2.400 -0.403 1.00 0.00 C ATOM 297 O ASP A 20 -7.333 2.399 0.770 1.00 0.00 O ATOM 298 CB ASP A 20 -4.627 3.499 -0.512 1.00 0.00 C ATOM 299 CG ASP A 20 -4.427 3.524 1.010 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.685 4.575 1.636 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.000 2.501 1.587 1.00 0.00 O ATOM 0 H ASP A 20 -6.724 5.040 0.413 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.114 3.483 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.180 2.588 -0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.087 4.338 -0.952 1.00 0.00 H new ATOM 306 N VAL A 21 -7.259 1.436 -1.285 1.00 0.00 N ATOM 307 CA VAL A 21 -8.113 0.256 -1.011 1.00 0.00 C ATOM 308 C VAL A 21 -7.592 -0.948 -1.817 1.00 0.00 C ATOM 309 O VAL A 21 -6.753 -0.785 -2.698 1.00 0.00 O ATOM 310 CB VAL A 21 -9.624 0.522 -1.400 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.331 1.470 -0.396 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.715 1.064 -2.854 1.00 0.00 C ATOM 0 H VAL A 21 -6.911 1.452 -2.244 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.068 0.052 0.059 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.153 -0.430 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.365 1.622 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.312 1.026 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.814 2.429 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.759 1.243 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.157 1.997 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.293 0.332 -3.542 1.00 0.00 H new ATOM 322 N LYS A 22 -8.110 -2.146 -1.527 1.00 0.00 N ATOM 323 CA LYS A 22 -7.666 -3.396 -2.184 1.00 0.00 C ATOM 324 C LYS A 22 -8.576 -3.741 -3.391 1.00 0.00 C ATOM 325 O LYS A 22 -9.778 -3.492 -3.324 1.00 0.00 O ATOM 326 CB LYS A 22 -7.666 -4.542 -1.142 1.00 0.00 C ATOM 327 CG LYS A 22 -6.861 -4.206 0.139 1.00 0.00 C ATOM 328 CD LYS A 22 -6.711 -5.390 1.130 1.00 0.00 C ATOM 329 CE LYS A 22 -5.626 -6.410 0.724 1.00 0.00 C ATOM 330 NZ LYS A 22 -5.866 -7.034 -0.605 1.00 0.00 N ATOM 0 H LYS A 22 -8.846 -2.284 -0.834 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.655 -3.262 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.695 -4.773 -0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.250 -5.440 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.868 -3.862 -0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.348 -3.377 0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.474 -4.996 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.668 -5.905 1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.656 -5.912 0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.574 -7.193 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.288 -7.894 -0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.872 -7.282 -0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.606 -6.363 -1.356 1.00 0.00 H new ATOM 344 N PRO A 23 -8.024 -4.350 -4.506 1.00 0.00 N ATOM 345 CA PRO A 23 -8.833 -4.731 -5.713 1.00 0.00 C ATOM 346 C PRO A 23 -9.862 -5.849 -5.412 1.00 0.00 C ATOM 347 O PRO A 23 -10.803 -6.078 -6.181 1.00 0.00 O ATOM 348 CB PRO A 23 -7.753 -5.213 -6.726 1.00 0.00 C ATOM 349 CG PRO A 23 -6.617 -5.677 -5.861 1.00 0.00 C ATOM 350 CD PRO A 23 -6.588 -4.722 -4.684 1.00 0.00 C ATOM 0 HA PRO A 23 -9.438 -3.903 -6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.129 -6.019 -7.355 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.443 -4.407 -7.391 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.770 -6.704 -5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.674 -5.656 -6.407 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.182 -5.197 -3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.969 -3.849 -4.890 1.00 0.00 H new ATOM 358 N ASP A 24 -9.659 -6.517 -4.267 1.00 0.00 N ATOM 359 CA ASP A 24 -10.485 -7.642 -3.792 1.00 0.00 C ATOM 360 C ASP A 24 -11.804 -7.140 -3.166 1.00 0.00 C ATOM 361 O ASP A 24 -12.742 -7.924 -2.952 1.00 0.00 O ATOM 362 CB ASP A 24 -9.685 -8.447 -2.730 1.00 0.00 C ATOM 363 CG ASP A 24 -8.209 -8.655 -3.106 1.00 0.00 C ATOM 364 OD1 ASP A 24 -7.857 -9.718 -3.652 1.00 0.00 O ATOM 365 OD2 ASP A 24 -7.400 -7.732 -2.866 1.00 0.00 O ATOM 0 H ASP A 24 -8.898 -6.286 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.730 -8.276 -4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.739 -7.926 -1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.157 -9.419 -2.590 1.00 0.00 H new ATOM 370 N ARG A 25 -11.839 -5.829 -2.848 1.00 0.00 N ATOM 371 CA ARG A 25 -12.998 -5.166 -2.226 1.00 0.00 C ATOM 372 C ARG A 25 -14.140 -5.020 -3.251 1.00 0.00 C ATOM 373 O ARG A 25 -13.922 -5.179 -4.459 1.00 0.00 O ATOM 374 CB ARG A 25 -12.580 -3.762 -1.685 1.00 0.00 C ATOM 375 CG ARG A 25 -11.509 -3.770 -0.565 1.00 0.00 C ATOM 376 CD ARG A 25 -11.988 -4.457 0.721 1.00 0.00 C ATOM 377 NE ARG A 25 -10.986 -4.348 1.800 1.00 0.00 N ATOM 378 CZ ARG A 25 -11.260 -4.274 3.114 1.00 0.00 C ATOM 379 NH1 ARG A 25 -12.513 -4.263 3.557 1.00 0.00 N ATOM 380 NH2 ARG A 25 -10.268 -4.202 3.991 1.00 0.00 N ATOM 0 H ARG A 25 -11.056 -5.198 -3.018 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.350 -5.776 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.205 -3.168 -2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.470 -3.257 -1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.615 -4.276 -0.929 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.223 -2.743 -0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.926 -4.007 1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.193 -5.508 0.518 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.004 -4.327 1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.288 -4.311 2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.699 -4.206 4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.301 -4.203 3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.472 -4.146 4.989 1.00 0.00 H new ATOM 394 N THR A 26 -15.353 -4.732 -2.763 1.00 0.00 N ATOM 395 CA THR A 26 -16.508 -4.411 -3.613 1.00 0.00 C ATOM 396 C THR A 26 -16.668 -2.891 -3.717 1.00 0.00 C ATOM 397 O THR A 26 -16.054 -2.137 -2.943 1.00 0.00 O ATOM 398 CB THR A 26 -17.826 -5.057 -3.073 1.00 0.00 C ATOM 399 OG1 THR A 26 -18.058 -4.661 -1.715 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.790 -6.596 -3.161 1.00 0.00 C ATOM 0 H THR A 26 -15.562 -4.715 -1.765 1.00 0.00 H new ATOM 0 HA THR A 26 -16.322 -4.828 -4.603 1.00 0.00 H new ATOM 0 HB THR A 26 -18.640 -4.700 -3.703 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.952 -4.952 -1.438 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.724 -7.004 -2.776 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.663 -6.898 -4.201 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.957 -6.975 -2.569 1.00 0.00 H new ATOM 408 N ILE A 27 -17.477 -2.436 -4.686 1.00 0.00 N ATOM 409 CA ILE A 27 -17.729 -1.001 -4.906 1.00 0.00 C ATOM 410 C ILE A 27 -18.485 -0.410 -3.689 1.00 0.00 C ATOM 411 O ILE A 27 -18.397 0.781 -3.441 1.00 0.00 O ATOM 412 CB ILE A 27 -18.507 -0.749 -6.259 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.753 -1.389 -7.471 1.00 0.00 C ATOM 414 CG2 ILE A 27 -18.781 0.758 -6.519 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.370 -0.825 -7.758 1.00 0.00 C ATOM 0 H ILE A 27 -17.973 -3.046 -5.336 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.772 -0.488 -4.999 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.476 -1.237 -6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.659 -2.460 -7.292 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.367 -1.267 -8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.317 0.873 -7.461 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.384 1.164 -5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.835 1.296 -6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.938 -1.339 -8.617 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.449 0.240 -7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.730 -0.971 -6.888 1.00 0.00 H new ATOM 427 N GLU A 28 -19.181 -1.287 -2.914 1.00 0.00 N ATOM 428 CA GLU A 28 -19.762 -0.944 -1.583 1.00 0.00 C ATOM 429 C GLU A 28 -18.728 -0.248 -0.677 1.00 0.00 C ATOM 430 O GLU A 28 -19.033 0.749 -0.021 1.00 0.00 O ATOM 431 CB GLU A 28 -20.259 -2.229 -0.863 1.00 0.00 C ATOM 432 CG GLU A 28 -21.451 -2.925 -1.534 1.00 0.00 C ATOM 433 CD GLU A 28 -21.806 -4.273 -0.899 1.00 0.00 C ATOM 434 OE1 GLU A 28 -22.746 -4.331 -0.075 1.00 0.00 O ATOM 435 OE2 GLU A 28 -21.133 -5.280 -1.210 1.00 0.00 O ATOM 0 H GLU A 28 -19.356 -2.252 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.595 -0.264 -1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.432 -2.936 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.536 -1.971 0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.320 -2.269 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.226 -3.077 -2.590 1.00 0.00 H new ATOM 442 N GLU A 29 -17.505 -0.809 -0.671 1.00 0.00 N ATOM 443 CA GLU A 29 -16.376 -0.303 0.123 1.00 0.00 C ATOM 444 C GLU A 29 -15.959 1.092 -0.361 1.00 0.00 C ATOM 445 O GLU A 29 -15.630 1.941 0.445 1.00 0.00 O ATOM 446 CB GLU A 29 -15.186 -1.302 0.054 1.00 0.00 C ATOM 447 CG GLU A 29 -15.534 -2.757 0.450 1.00 0.00 C ATOM 448 CD GLU A 29 -15.977 -2.919 1.918 1.00 0.00 C ATOM 449 OE1 GLU A 29 -15.113 -3.178 2.785 1.00 0.00 O ATOM 450 OE2 GLU A 29 -17.188 -2.797 2.208 1.00 0.00 O ATOM 0 H GLU A 29 -17.273 -1.634 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.687 -0.214 1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.789 -1.302 -0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.391 -0.943 0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.330 -3.119 -0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.664 -3.389 0.272 1.00 0.00 H new ATOM 457 N LEU A 30 -16.018 1.320 -1.684 1.00 0.00 N ATOM 458 CA LEU A 30 -15.701 2.636 -2.279 1.00 0.00 C ATOM 459 C LEU A 30 -16.754 3.675 -1.881 1.00 0.00 C ATOM 460 O LEU A 30 -16.410 4.785 -1.479 1.00 0.00 O ATOM 461 CB LEU A 30 -15.605 2.541 -3.820 1.00 0.00 C ATOM 462 CG LEU A 30 -14.528 1.561 -4.366 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.474 1.583 -5.906 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.144 1.857 -3.748 1.00 0.00 C ATOM 0 H LEU A 30 -16.283 0.610 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.731 2.951 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.577 2.238 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.400 3.536 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.816 0.553 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.711 0.887 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.443 1.289 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.230 2.589 -6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.410 1.157 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.846 2.876 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.198 1.747 -2.665 1.00 0.00 H new ATOM 476 N MET A 31 -18.037 3.268 -1.982 1.00 0.00 N ATOM 477 CA MET A 31 -19.204 4.082 -1.597 1.00 0.00 C ATOM 478 C MET A 31 -19.139 4.443 -0.099 1.00 0.00 C ATOM 479 O MET A 31 -19.586 5.516 0.311 1.00 0.00 O ATOM 480 CB MET A 31 -20.529 3.337 -1.947 1.00 0.00 C ATOM 481 CG MET A 31 -20.644 2.921 -3.425 1.00 0.00 C ATOM 482 SD MET A 31 -22.336 2.597 -3.988 1.00 0.00 S ATOM 483 CE MET A 31 -22.799 4.190 -4.676 1.00 0.00 C ATOM 0 H MET A 31 -18.293 2.348 -2.340 1.00 0.00 H new ATOM 0 HA MET A 31 -19.186 5.012 -2.165 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.609 2.447 -1.323 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.372 3.980 -1.695 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.213 3.707 -4.045 1.00 0.00 H new ATOM 0 HG3 MET A 31 -20.044 2.025 -3.584 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.881 4.311 -4.617 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.314 4.985 -4.111 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.484 4.242 -5.718 1.00 0.00 H new ATOM 493 N GLU A 32 -18.535 3.528 0.686 1.00 0.00 N ATOM 494 CA GLU A 32 -18.302 3.699 2.129 1.00 0.00 C ATOM 495 C GLU A 32 -17.245 4.785 2.377 1.00 0.00 C ATOM 496 O GLU A 32 -17.411 5.641 3.250 1.00 0.00 O ATOM 497 CB GLU A 32 -17.812 2.355 2.751 1.00 0.00 C ATOM 498 CG GLU A 32 -17.913 2.263 4.285 1.00 0.00 C ATOM 499 CD GLU A 32 -19.362 2.342 4.799 1.00 0.00 C ATOM 500 OE1 GLU A 32 -19.826 3.444 5.160 1.00 0.00 O ATOM 501 OE2 GLU A 32 -20.052 1.302 4.817 1.00 0.00 O ATOM 0 H GLU A 32 -18.191 2.637 0.327 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.240 4.000 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.391 1.540 2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -16.773 2.198 2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.466 1.326 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.331 3.069 4.731 1.00 0.00 H new ATOM 508 N LYS A 33 -16.150 4.709 1.589 1.00 0.00 N ATOM 509 CA LYS A 33 -14.994 5.610 1.748 1.00 0.00 C ATOM 510 C LYS A 33 -15.378 7.050 1.394 1.00 0.00 C ATOM 511 O LYS A 33 -15.201 7.942 2.206 1.00 0.00 O ATOM 512 CB LYS A 33 -13.751 5.146 0.921 1.00 0.00 C ATOM 513 CG LYS A 33 -13.247 3.707 1.225 1.00 0.00 C ATOM 514 CD LYS A 33 -13.377 3.322 2.721 1.00 0.00 C ATOM 515 CE LYS A 33 -12.893 1.899 3.026 1.00 0.00 C ATOM 516 NZ LYS A 33 -13.134 1.542 4.450 1.00 0.00 N ATOM 0 H LYS A 33 -16.045 4.030 0.835 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.704 5.571 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.997 5.210 -0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.934 5.845 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.812 2.996 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.203 3.623 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.805 4.029 3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.420 3.416 3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.409 1.190 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.829 1.818 2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.797 0.574 4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.622 2.205 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.152 1.596 4.654 1.00 0.00 H new ATOM 530 N LEU A 34 -15.940 7.263 0.193 1.00 0.00 N ATOM 531 CA LEU A 34 -16.375 8.605 -0.258 1.00 0.00 C ATOM 532 C LEU A 34 -17.433 9.189 0.698 1.00 0.00 C ATOM 533 O LEU A 34 -17.458 10.395 0.923 1.00 0.00 O ATOM 534 CB LEU A 34 -16.855 8.556 -1.745 1.00 0.00 C ATOM 535 CG LEU A 34 -18.008 7.543 -2.095 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.427 8.139 -1.912 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.833 6.956 -3.515 1.00 0.00 C ATOM 0 H LEU A 34 -16.106 6.523 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.523 9.284 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.186 9.556 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.995 8.318 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.921 6.732 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.173 7.388 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.563 8.443 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.544 9.006 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.646 6.261 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.849 7.763 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.881 6.429 -3.576 1.00 0.00 H new ATOM 549 N LYS A 35 -18.260 8.312 1.306 1.00 0.00 N ATOM 550 CA LYS A 35 -19.231 8.720 2.343 1.00 0.00 C ATOM 551 C LYS A 35 -18.514 9.271 3.596 1.00 0.00 C ATOM 552 O LYS A 35 -18.879 10.326 4.097 1.00 0.00 O ATOM 553 CB LYS A 35 -20.165 7.532 2.705 1.00 0.00 C ATOM 554 CG LYS A 35 -21.143 7.767 3.888 1.00 0.00 C ATOM 555 CD LYS A 35 -22.028 9.026 3.720 1.00 0.00 C ATOM 556 CE LYS A 35 -22.928 9.280 4.935 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.620 10.593 4.845 1.00 0.00 N ATOM 0 H LYS A 35 -18.274 7.314 1.095 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.844 9.526 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.750 7.275 1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.545 6.667 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.786 6.893 3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.569 7.857 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.390 9.895 3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.648 8.914 2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.668 8.484 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -22.328 9.247 5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.816 10.949 5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -23.014 11.271 4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.515 10.479 4.328 1.00 0.00 H new ATOM 571 N GLU A 36 -17.482 8.570 4.088 1.00 0.00 N ATOM 572 CA GLU A 36 -16.746 8.998 5.301 1.00 0.00 C ATOM 573 C GLU A 36 -15.724 10.123 4.992 1.00 0.00 C ATOM 574 O GLU A 36 -15.189 10.742 5.916 1.00 0.00 O ATOM 575 CB GLU A 36 -16.063 7.789 5.999 1.00 0.00 C ATOM 576 CG GLU A 36 -14.982 7.079 5.167 1.00 0.00 C ATOM 577 CD GLU A 36 -14.419 5.809 5.832 1.00 0.00 C ATOM 578 OE1 GLU A 36 -13.369 5.887 6.503 1.00 0.00 O ATOM 579 OE2 GLU A 36 -15.032 4.726 5.692 1.00 0.00 O ATOM 0 H GLU A 36 -17.134 7.707 3.671 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.478 9.414 5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.614 8.134 6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.830 7.062 6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.400 6.814 4.196 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.163 7.775 4.983 1.00 0.00 H new ATOM 586 N GLN A 37 -15.478 10.393 3.688 1.00 0.00 N ATOM 587 CA GLN A 37 -14.506 11.416 3.225 1.00 0.00 C ATOM 588 C GLN A 37 -15.159 12.797 2.995 1.00 0.00 C ATOM 589 O GLN A 37 -14.560 13.820 3.330 1.00 0.00 O ATOM 590 CB GLN A 37 -13.812 10.946 1.920 1.00 0.00 C ATOM 591 CG GLN A 37 -12.804 9.804 2.087 1.00 0.00 C ATOM 592 CD GLN A 37 -11.536 10.230 2.836 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.456 10.134 4.062 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.540 10.695 2.097 1.00 0.00 N ATOM 0 H GLN A 37 -15.948 9.907 2.924 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.769 11.531 4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.580 10.630 1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.299 11.798 1.474 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.279 8.983 2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.528 9.423 1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.643 10.760 1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.670 10.988 2.541 1.00 0.00 H new ATOM 603 N THR A 38 -16.354 12.821 2.383 1.00 0.00 N ATOM 604 CA THR A 38 -17.054 14.097 2.042 1.00 0.00 C ATOM 605 C THR A 38 -18.465 14.180 2.670 1.00 0.00 C ATOM 606 O THR A 38 -19.118 15.227 2.585 1.00 0.00 O ATOM 607 CB THR A 38 -17.146 14.297 0.486 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.716 15.581 0.150 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.960 13.194 -0.190 1.00 0.00 C ATOM 0 H THR A 38 -16.864 11.981 2.110 1.00 0.00 H new ATOM 0 HA THR A 38 -16.453 14.901 2.467 1.00 0.00 H new ATOM 0 HB THR A 38 -16.122 14.250 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.373 15.836 0.831 1.00 0.00 H new ATOM 0 HG21 THR A 38 -17.996 13.375 -1.264 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.492 12.228 0.000 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.973 13.192 0.211 1.00 0.00 H new ATOM 617 N GLY A 39 -18.941 13.072 3.267 1.00 0.00 N ATOM 618 CA GLY A 39 -20.224 13.059 3.986 1.00 0.00 C ATOM 619 C GLY A 39 -21.453 12.933 3.096 1.00 0.00 C ATOM 620 O GLY A 39 -22.582 12.920 3.608 1.00 0.00 O ATOM 0 H GLY A 39 -18.455 12.175 3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -20.219 12.231 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.307 13.976 4.569 1.00 0.00 H new ATOM 624 N VAL A 40 -21.246 12.834 1.774 1.00 0.00 N ATOM 625 CA VAL A 40 -22.348 12.757 0.801 1.00 0.00 C ATOM 626 C VAL A 40 -22.913 11.304 0.783 1.00 0.00 C ATOM 627 O VAL A 40 -22.129 10.345 0.746 1.00 0.00 O ATOM 628 CB VAL A 40 -21.876 13.258 -0.642 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.101 12.183 -1.443 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.055 13.836 -1.460 1.00 0.00 C ATOM 0 H VAL A 40 -20.318 12.805 1.351 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.154 13.427 1.100 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.167 14.065 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.811 12.590 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.208 11.891 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.738 11.311 -1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -22.695 14.166 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -23.815 13.067 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -23.487 14.683 -0.927 1.00 0.00 H new ATOM 640 N PRO A 41 -24.275 11.109 0.877 1.00 0.00 N ATOM 641 CA PRO A 41 -24.885 9.759 0.949 1.00 0.00 C ATOM 642 C PRO A 41 -24.790 9.007 -0.409 1.00 0.00 C ATOM 643 O PRO A 41 -25.336 9.477 -1.411 1.00 0.00 O ATOM 644 CB PRO A 41 -26.355 10.058 1.353 1.00 0.00 C ATOM 645 CG PRO A 41 -26.630 11.430 0.817 1.00 0.00 C ATOM 646 CD PRO A 41 -25.314 12.183 0.920 1.00 0.00 C ATOM 0 HA PRO A 41 -24.380 9.099 1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -27.039 9.323 0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.482 10.024 2.435 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.975 11.385 -0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.411 11.926 1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.193 12.888 0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.255 12.758 1.844 1.00 0.00 H new ATOM 654 N PRO A 42 -24.080 7.828 -0.466 1.00 0.00 N ATOM 655 CA PRO A 42 -23.846 7.086 -1.735 1.00 0.00 C ATOM 656 C PRO A 42 -25.138 6.483 -2.344 1.00 0.00 C ATOM 657 O PRO A 42 -25.140 6.076 -3.505 1.00 0.00 O ATOM 658 CB PRO A 42 -22.846 5.982 -1.319 1.00 0.00 C ATOM 659 CG PRO A 42 -23.099 5.769 0.143 1.00 0.00 C ATOM 660 CD PRO A 42 -23.456 7.130 0.693 1.00 0.00 C ATOM 0 HA PRO A 42 -23.474 7.740 -2.524 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -23.009 5.066 -1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.817 6.291 -1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -23.909 5.057 0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.217 5.364 0.639 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.146 7.054 1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.574 7.660 1.052 1.00 0.00 H new ATOM 668 N GLU A 43 -26.224 6.439 -1.545 1.00 0.00 N ATOM 669 CA GLU A 43 -27.585 6.052 -2.014 1.00 0.00 C ATOM 670 C GLU A 43 -28.093 7.020 -3.119 1.00 0.00 C ATOM 671 O GLU A 43 -28.919 6.660 -3.968 1.00 0.00 O ATOM 672 CB GLU A 43 -28.574 6.077 -0.813 1.00 0.00 C ATOM 673 CG GLU A 43 -28.709 7.467 -0.152 1.00 0.00 C ATOM 674 CD GLU A 43 -29.707 7.511 1.008 1.00 0.00 C ATOM 675 OE1 GLU A 43 -29.362 7.053 2.114 1.00 0.00 O ATOM 676 OE2 GLU A 43 -30.837 8.009 0.824 1.00 0.00 O ATOM 0 H GLU A 43 -26.189 6.670 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.530 5.048 -2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.556 5.750 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.241 5.358 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.731 7.781 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -29.015 8.189 -0.909 1.00 0.00 H new ATOM 683 N GLN A 44 -27.568 8.252 -3.056 1.00 0.00 N ATOM 684 CA GLN A 44 -27.951 9.379 -3.915 1.00 0.00 C ATOM 685 C GLN A 44 -26.858 9.645 -4.982 1.00 0.00 C ATOM 686 O GLN A 44 -26.950 10.597 -5.764 1.00 0.00 O ATOM 687 CB GLN A 44 -28.168 10.611 -2.987 1.00 0.00 C ATOM 688 CG GLN A 44 -28.750 11.872 -3.660 1.00 0.00 C ATOM 689 CD GLN A 44 -28.968 13.043 -2.703 1.00 0.00 C ATOM 690 OE1 GLN A 44 -29.898 13.836 -2.882 1.00 0.00 O ATOM 691 NE2 GLN A 44 -28.084 13.203 -1.722 1.00 0.00 N ATOM 0 H GLN A 44 -26.842 8.498 -2.384 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.869 9.163 -4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -28.834 10.317 -2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -27.211 10.873 -2.535 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -28.078 12.188 -4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -29.701 11.616 -4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -27.328 12.529 -1.602 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -28.162 13.999 -1.090 1.00 0.00 H new ATOM 700 N LEU A 45 -25.818 8.785 -5.019 1.00 0.00 N ATOM 701 CA LEU A 45 -24.684 8.912 -5.964 1.00 0.00 C ATOM 702 C LEU A 45 -24.453 7.607 -6.740 1.00 0.00 C ATOM 703 O LEU A 45 -24.948 6.534 -6.370 1.00 0.00 O ATOM 704 CB LEU A 45 -23.363 9.347 -5.238 1.00 0.00 C ATOM 705 CG LEU A 45 -23.218 10.863 -4.854 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.482 11.779 -6.066 1.00 0.00 C ATOM 707 CD2 LEU A 45 -24.100 11.251 -3.659 1.00 0.00 C ATOM 0 H LEU A 45 -25.739 7.982 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.954 9.695 -6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.270 8.758 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.522 9.079 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.184 11.009 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.373 12.821 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.766 11.553 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.494 11.612 -6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.963 12.309 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.146 11.064 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.818 10.656 -2.790 1.00 0.00 H new ATOM 719 N ARG A 46 -23.698 7.746 -7.841 1.00 0.00 N ATOM 720 CA ARG A 46 -23.265 6.647 -8.713 1.00 0.00 C ATOM 721 C ARG A 46 -21.743 6.736 -8.841 1.00 0.00 C ATOM 722 O ARG A 46 -21.229 7.782 -9.267 1.00 0.00 O ATOM 723 CB ARG A 46 -23.891 6.775 -10.139 1.00 0.00 C ATOM 724 CG ARG A 46 -25.416 6.989 -10.171 1.00 0.00 C ATOM 725 CD ARG A 46 -25.937 7.309 -11.579 1.00 0.00 C ATOM 726 NE ARG A 46 -27.396 7.557 -11.602 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.318 6.749 -12.166 1.00 0.00 C ATOM 728 NH1 ARG A 46 -27.967 5.604 -12.728 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.599 7.093 -12.167 1.00 0.00 N ATOM 0 H ARG A 46 -23.362 8.656 -8.157 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.585 5.698 -8.283 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.413 7.608 -10.654 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.655 5.873 -10.704 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.913 6.093 -9.798 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.679 7.804 -9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -25.417 8.186 -11.965 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.702 6.480 -12.247 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.733 8.409 -11.154 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -26.987 5.321 -12.739 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.676 5.005 -13.150 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.891 7.972 -11.740 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.292 6.479 -12.595 1.00 0.00 H new ATOM 743 N VAL A 47 -21.029 5.667 -8.470 1.00 0.00 N ATOM 744 CA VAL A 47 -19.575 5.592 -8.669 1.00 0.00 C ATOM 745 C VAL A 47 -19.311 5.269 -10.146 1.00 0.00 C ATOM 746 O VAL A 47 -19.915 4.346 -10.687 1.00 0.00 O ATOM 747 CB VAL A 47 -18.912 4.517 -7.734 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.385 4.462 -7.933 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.254 4.791 -6.258 1.00 0.00 C ATOM 0 H VAL A 47 -21.434 4.841 -8.030 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.126 6.550 -8.406 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.320 3.545 -8.010 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.959 3.708 -7.271 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.162 4.204 -8.968 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.953 5.435 -7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.785 4.034 -5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.885 5.777 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.335 4.756 -6.122 1.00 0.00 H new ATOM 759 N ILE A 48 -18.451 6.065 -10.797 1.00 0.00 N ATOM 760 CA ILE A 48 -18.193 5.979 -12.248 1.00 0.00 C ATOM 761 C ILE A 48 -16.681 5.814 -12.511 1.00 0.00 C ATOM 762 O ILE A 48 -15.887 6.592 -12.013 1.00 0.00 O ATOM 763 CB ILE A 48 -18.715 7.282 -12.981 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.240 7.532 -12.713 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.427 7.247 -14.497 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.179 6.449 -13.205 1.00 0.00 C ATOM 0 H ILE A 48 -17.909 6.793 -10.331 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.725 5.112 -12.640 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.159 8.118 -12.556 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.386 7.654 -11.640 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.523 8.474 -13.183 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -18.802 8.160 -14.960 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.352 7.172 -14.662 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -18.923 6.385 -14.942 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.207 6.723 -12.968 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.073 6.338 -14.284 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -20.934 5.506 -12.717 1.00 0.00 H new ATOM 778 N TYR A 49 -16.299 4.796 -13.294 1.00 0.00 N ATOM 779 CA TYR A 49 -14.914 4.604 -13.779 1.00 0.00 C ATOM 780 C TYR A 49 -14.892 4.811 -15.296 1.00 0.00 C ATOM 781 O TYR A 49 -15.456 4.002 -16.037 1.00 0.00 O ATOM 782 CB TYR A 49 -14.407 3.184 -13.399 1.00 0.00 C ATOM 783 CG TYR A 49 -13.046 2.740 -13.984 1.00 0.00 C ATOM 784 CD1 TYR A 49 -11.857 2.921 -13.275 1.00 0.00 C ATOM 785 CD2 TYR A 49 -12.960 2.089 -15.223 1.00 0.00 C ATOM 786 CE1 TYR A 49 -10.652 2.472 -13.771 1.00 0.00 C ATOM 787 CE2 TYR A 49 -11.751 1.650 -15.724 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.603 1.839 -14.995 1.00 0.00 C ATOM 789 OH TYR A 49 -9.398 1.380 -15.479 1.00 0.00 O ATOM 0 H TYR A 49 -16.944 4.073 -13.615 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.248 5.329 -13.311 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.342 3.128 -12.312 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.161 2.461 -13.711 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.882 3.423 -12.319 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -13.860 1.927 -15.798 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.746 2.616 -13.201 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.708 1.160 -16.685 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.027 0.717 -14.859 1.00 0.00 H new ATOM 799 N ASN A 50 -14.278 5.925 -15.735 1.00 0.00 N ATOM 800 CA ASN A 50 -14.008 6.229 -17.163 1.00 0.00 C ATOM 801 C ASN A 50 -15.309 6.335 -18.012 1.00 0.00 C ATOM 802 O ASN A 50 -15.274 6.189 -19.242 1.00 0.00 O ATOM 803 CB ASN A 50 -13.023 5.174 -17.764 1.00 0.00 C ATOM 804 CG ASN A 50 -11.636 5.148 -17.097 1.00 0.00 C ATOM 805 OD1 ASN A 50 -11.472 5.503 -15.927 1.00 0.00 O ATOM 806 ND2 ASN A 50 -10.638 4.687 -17.832 1.00 0.00 N ATOM 0 H ASN A 50 -13.948 6.654 -15.102 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.539 7.212 -17.202 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.473 4.185 -17.678 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.898 5.376 -18.828 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.701 4.617 -17.434 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.805 4.401 -18.797 1.00 0.00 H new ATOM 813 N GLY A 51 -16.443 6.618 -17.336 1.00 0.00 N ATOM 814 CA GLY A 51 -17.765 6.715 -17.989 1.00 0.00 C ATOM 815 C GLY A 51 -18.671 5.511 -17.723 1.00 0.00 C ATOM 816 O GLY A 51 -19.875 5.568 -17.985 1.00 0.00 O ATOM 0 H GLY A 51 -16.468 6.784 -16.330 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.266 7.619 -17.643 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.623 6.821 -19.064 1.00 0.00 H new ATOM 820 N ARG A 52 -18.082 4.417 -17.215 1.00 0.00 N ATOM 821 CA ARG A 52 -18.803 3.172 -16.872 1.00 0.00 C ATOM 822 C ARG A 52 -19.362 3.269 -15.446 1.00 0.00 C ATOM 823 O ARG A 52 -18.664 3.737 -14.545 1.00 0.00 O ATOM 824 CB ARG A 52 -17.846 1.953 -17.005 1.00 0.00 C ATOM 825 CG ARG A 52 -18.435 0.592 -16.564 1.00 0.00 C ATOM 826 CD ARG A 52 -17.507 -0.583 -16.911 1.00 0.00 C ATOM 827 NE ARG A 52 -18.113 -1.893 -16.602 1.00 0.00 N ATOM 828 CZ ARG A 52 -17.449 -3.064 -16.570 1.00 0.00 C ATOM 829 NH1 ARG A 52 -16.133 -3.113 -16.746 1.00 0.00 N ATOM 830 NH2 ARG A 52 -18.103 -4.186 -16.315 1.00 0.00 N ATOM 0 H ARG A 52 -17.081 4.367 -17.027 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.636 3.035 -17.562 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.531 1.873 -18.045 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.951 2.150 -16.415 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.613 0.607 -15.489 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.402 0.443 -17.045 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.257 -0.543 -17.971 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.573 -0.479 -16.359 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.112 -1.913 -16.397 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.608 -2.254 -16.909 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.648 -4.010 -16.718 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.108 -4.163 -16.143 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.602 -5.074 -16.290 1.00 0.00 H new ATOM 844 N GLU A 53 -20.618 2.823 -15.238 1.00 0.00 N ATOM 845 CA GLU A 53 -21.252 2.857 -13.908 1.00 0.00 C ATOM 846 C GLU A 53 -20.871 1.596 -13.120 1.00 0.00 C ATOM 847 O GLU A 53 -20.916 0.473 -13.648 1.00 0.00 O ATOM 848 CB GLU A 53 -22.790 3.000 -14.008 1.00 0.00 C ATOM 849 CG GLU A 53 -23.473 3.435 -12.685 1.00 0.00 C ATOM 850 CD GLU A 53 -24.987 3.608 -12.835 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.410 4.547 -13.541 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.758 2.805 -12.272 1.00 0.00 O ATOM 0 H GLU A 53 -21.210 2.436 -15.973 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.884 3.736 -13.378 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.027 3.729 -14.783 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.213 2.047 -14.326 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.270 2.692 -11.914 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.035 4.374 -12.346 1.00 0.00 H new ATOM 859 N LEU A 54 -20.477 1.802 -11.859 1.00 0.00 N ATOM 860 CA LEU A 54 -19.935 0.747 -11.002 1.00 0.00 C ATOM 861 C LEU A 54 -20.994 0.325 -9.985 1.00 0.00 C ATOM 862 O LEU A 54 -21.438 1.137 -9.155 1.00 0.00 O ATOM 863 CB LEU A 54 -18.644 1.221 -10.283 1.00 0.00 C ATOM 864 CG LEU A 54 -17.575 1.953 -11.162 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.247 2.094 -10.401 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.379 1.270 -12.528 1.00 0.00 C ATOM 0 H LEU A 54 -20.526 2.713 -11.403 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.670 -0.109 -11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -18.933 1.890 -9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.171 0.352 -9.826 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.952 2.955 -11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.519 2.605 -11.031 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.409 2.672 -9.491 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.870 1.105 -10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.628 1.813 -13.102 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.047 0.243 -12.377 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.323 1.270 -13.073 1.00 0.00 H new ATOM 878 N GLU A 55 -21.383 -0.942 -10.075 1.00 0.00 N ATOM 879 CA GLU A 55 -22.414 -1.543 -9.231 1.00 0.00 C ATOM 880 C GLU A 55 -21.794 -1.933 -7.874 1.00 0.00 C ATOM 881 O GLU A 55 -20.761 -2.608 -7.862 1.00 0.00 O ATOM 882 CB GLU A 55 -22.990 -2.789 -9.947 1.00 0.00 C ATOM 883 CG GLU A 55 -23.376 -2.539 -11.423 1.00 0.00 C ATOM 884 CD GLU A 55 -23.768 -3.818 -12.178 1.00 0.00 C ATOM 885 OE1 GLU A 55 -22.960 -4.318 -12.990 1.00 0.00 O ATOM 886 OE2 GLU A 55 -24.880 -4.335 -11.951 1.00 0.00 O ATOM 0 H GLU A 55 -20.984 -1.595 -10.750 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.222 -0.833 -9.055 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.255 -3.593 -9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.870 -3.133 -9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -24.208 -1.836 -11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -22.537 -2.067 -11.935 1.00 0.00 H new ATOM 893 N PRO A 56 -22.406 -1.514 -6.715 1.00 0.00 N ATOM 894 CA PRO A 56 -21.884 -1.834 -5.353 1.00 0.00 C ATOM 895 C PRO A 56 -21.732 -3.360 -5.138 1.00 0.00 C ATOM 896 O PRO A 56 -20.793 -3.824 -4.486 1.00 0.00 O ATOM 897 CB PRO A 56 -22.928 -1.183 -4.394 1.00 0.00 C ATOM 898 CG PRO A 56 -24.151 -0.969 -5.238 1.00 0.00 C ATOM 899 CD PRO A 56 -23.643 -0.699 -6.639 1.00 0.00 C ATOM 0 HA PRO A 56 -20.879 -1.448 -5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.143 -1.832 -3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -22.558 -0.241 -3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -24.798 -1.846 -5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -24.740 -0.130 -4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.369 -0.998 -7.395 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -23.438 0.360 -6.796 1.00 0.00 H new ATOM 907 N ARG A 57 -22.620 -4.113 -5.802 1.00 0.00 N ATOM 908 CA ARG A 57 -22.676 -5.592 -5.777 1.00 0.00 C ATOM 909 C ARG A 57 -21.600 -6.262 -6.675 1.00 0.00 C ATOM 910 O ARG A 57 -21.730 -7.438 -7.025 1.00 0.00 O ATOM 911 CB ARG A 57 -24.122 -6.038 -6.192 1.00 0.00 C ATOM 912 CG ARG A 57 -24.720 -5.330 -7.457 1.00 0.00 C ATOM 913 CD ARG A 57 -24.913 -6.242 -8.680 1.00 0.00 C ATOM 914 NE ARG A 57 -23.644 -6.654 -9.308 1.00 0.00 N ATOM 915 CZ ARG A 57 -23.537 -7.234 -10.517 1.00 0.00 C ATOM 916 NH1 ARG A 57 -24.605 -7.437 -11.281 1.00 0.00 N ATOM 917 NH2 ARG A 57 -22.347 -7.588 -10.963 1.00 0.00 N ATOM 0 H ARG A 57 -23.344 -3.702 -6.391 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.451 -5.926 -4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -24.112 -7.113 -6.372 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.791 -5.862 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -25.684 -4.896 -7.191 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -24.065 -4.505 -7.737 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -25.466 -7.131 -8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.524 -5.723 -9.419 1.00 0.00 H new ATOM 0 HE ARG A 57 -22.783 -6.487 -8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -25.528 -7.151 -10.954 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -24.502 -7.879 -12.195 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -21.518 -7.421 -10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -22.256 -8.028 -11.878 1.00 0.00 H new ATOM 931 N THR A 58 -20.546 -5.522 -7.038 1.00 0.00 N ATOM 932 CA THR A 58 -19.446 -6.027 -7.878 1.00 0.00 C ATOM 933 C THR A 58 -18.092 -5.611 -7.267 1.00 0.00 C ATOM 934 O THR A 58 -18.021 -4.602 -6.560 1.00 0.00 O ATOM 935 CB THR A 58 -19.576 -5.453 -9.321 1.00 0.00 C ATOM 936 OG1 THR A 58 -20.927 -5.570 -9.780 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.641 -6.150 -10.319 1.00 0.00 C ATOM 0 H THR A 58 -20.429 -4.549 -6.757 1.00 0.00 H new ATOM 0 HA THR A 58 -19.499 -7.115 -7.923 1.00 0.00 H new ATOM 0 HB THR A 58 -19.285 -4.404 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.997 -5.205 -10.687 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.772 -5.711 -11.308 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.607 -6.021 -10.000 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.879 -7.213 -10.359 1.00 0.00 H new ATOM 945 N THR A 59 -17.023 -6.390 -7.537 1.00 0.00 N ATOM 946 CA THR A 59 -15.666 -6.099 -7.042 1.00 0.00 C ATOM 947 C THR A 59 -14.914 -5.088 -7.940 1.00 0.00 C ATOM 948 O THR A 59 -15.312 -4.818 -9.083 1.00 0.00 O ATOM 949 CB THR A 59 -14.838 -7.418 -6.883 1.00 0.00 C ATOM 950 OG1 THR A 59 -14.930 -8.198 -8.080 1.00 0.00 O ATOM 951 CG2 THR A 59 -15.310 -8.255 -5.678 1.00 0.00 C ATOM 0 H THR A 59 -17.079 -7.236 -8.104 1.00 0.00 H new ATOM 0 HA THR A 59 -15.779 -5.634 -6.063 1.00 0.00 H new ATOM 0 HB THR A 59 -13.801 -7.135 -6.703 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.409 -9.021 -7.975 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.708 -9.161 -5.606 1.00 0.00 H new ATOM 0 HG22 THR A 59 -15.199 -7.672 -4.764 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.358 -8.525 -5.811 1.00 0.00 H new ATOM 959 N LEU A 60 -13.807 -4.551 -7.386 1.00 0.00 N ATOM 960 CA LEU A 60 -12.963 -3.512 -8.021 1.00 0.00 C ATOM 961 C LEU A 60 -12.201 -4.083 -9.227 1.00 0.00 C ATOM 962 O LEU A 60 -12.105 -3.443 -10.282 1.00 0.00 O ATOM 963 CB LEU A 60 -11.953 -2.930 -6.968 1.00 0.00 C ATOM 964 CG LEU A 60 -12.456 -1.747 -6.078 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.777 -2.068 -5.378 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.385 -1.324 -5.054 1.00 0.00 C ATOM 0 H LEU A 60 -13.466 -4.832 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.611 -2.712 -8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.646 -3.742 -6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.062 -2.597 -7.501 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.641 -0.908 -6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.084 -1.216 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.543 -2.278 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.647 -2.940 -4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.764 -0.500 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.147 -2.168 -4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.485 -1.005 -5.580 1.00 0.00 H new ATOM 978 N GLU A 61 -11.670 -5.295 -9.030 1.00 0.00 N ATOM 979 CA GLU A 61 -10.911 -6.049 -10.051 1.00 0.00 C ATOM 980 C GLU A 61 -11.700 -6.221 -11.379 1.00 0.00 C ATOM 981 O GLU A 61 -11.103 -6.264 -12.458 1.00 0.00 O ATOM 982 CB GLU A 61 -10.519 -7.426 -9.459 1.00 0.00 C ATOM 983 CG GLU A 61 -11.720 -8.278 -8.999 1.00 0.00 C ATOM 984 CD GLU A 61 -11.320 -9.623 -8.375 1.00 0.00 C ATOM 985 OE1 GLU A 61 -11.633 -9.865 -7.188 1.00 0.00 O ATOM 986 OE2 GLU A 61 -10.680 -10.439 -9.073 1.00 0.00 O ATOM 0 H GLU A 61 -11.753 -5.793 -8.144 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.017 -5.479 -10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.956 -7.984 -10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.853 -7.269 -8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.301 -7.709 -8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.371 -8.463 -9.853 1.00 0.00 H new ATOM 993 N GLU A 62 -13.040 -6.288 -11.273 1.00 0.00 N ATOM 994 CA GLU A 62 -13.953 -6.431 -12.426 1.00 0.00 C ATOM 995 C GLU A 62 -13.991 -5.160 -13.293 1.00 0.00 C ATOM 996 O GLU A 62 -14.091 -5.235 -14.522 1.00 0.00 O ATOM 997 CB GLU A 62 -15.377 -6.773 -11.922 1.00 0.00 C ATOM 998 CG GLU A 62 -15.494 -8.154 -11.252 1.00 0.00 C ATOM 999 CD GLU A 62 -15.161 -9.299 -12.219 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -14.144 -9.996 -12.033 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -15.919 -9.486 -13.191 1.00 0.00 O ATOM 0 H GLU A 62 -13.525 -6.244 -10.377 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.577 -7.240 -13.052 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.692 -6.009 -11.211 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.068 -6.730 -12.764 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.822 -8.198 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.506 -8.286 -10.870 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.916 -3.997 -12.634 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.932 -2.684 -13.311 1.00 0.00 C ATOM 1010 C TYR A 63 -12.508 -2.174 -13.589 1.00 0.00 C ATOM 1011 O TYR A 63 -12.343 -1.079 -14.142 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.719 -1.675 -12.445 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.187 -2.067 -12.249 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -17.045 -2.150 -13.339 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.717 -2.336 -10.994 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.366 -2.496 -13.187 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.039 -2.681 -10.841 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.860 -2.756 -11.940 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.177 -3.105 -11.789 1.00 0.00 O ATOM 0 H TYR A 63 -13.843 -3.934 -11.619 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.425 -2.795 -14.277 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.239 -1.590 -11.470 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.671 -0.691 -12.911 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.665 -1.938 -14.327 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.080 -2.273 -10.124 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -19.012 -2.562 -14.050 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.432 -2.893 -9.858 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.322 -4.002 -12.157 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.500 -2.989 -13.203 1.00 0.00 N ATOM 1030 CA ASN A 64 -10.070 -2.654 -13.319 1.00 0.00 C ATOM 1031 C ASN A 64 -9.771 -1.334 -12.577 1.00 0.00 C ATOM 1032 O ASN A 64 -9.123 -0.417 -13.102 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.612 -2.642 -14.813 1.00 0.00 C ATOM 1034 CG ASN A 64 -8.087 -2.531 -14.997 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -7.541 -1.442 -15.202 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -7.389 -3.653 -14.896 1.00 0.00 N ATOM 0 H ASN A 64 -11.664 -3.910 -12.797 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.479 -3.431 -12.834 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.961 -3.554 -15.297 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.091 -1.807 -15.323 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.373 -3.632 -14.988 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.867 -4.538 -14.726 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.284 -1.254 -11.337 1.00 0.00 N ATOM 1044 CA ILE A 65 -10.025 -0.126 -10.434 1.00 0.00 C ATOM 1045 C ILE A 65 -8.561 -0.215 -9.980 1.00 0.00 C ATOM 1046 O ILE A 65 -8.237 -0.887 -9.004 1.00 0.00 O ATOM 1047 CB ILE A 65 -11.008 -0.121 -9.200 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.495 -0.128 -9.673 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.740 1.072 -8.252 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.906 1.074 -10.491 1.00 0.00 C ATOM 0 H ILE A 65 -10.889 -1.970 -10.936 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.200 0.812 -10.961 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.821 -1.034 -8.635 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.670 -1.028 -10.263 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.140 -0.191 -8.797 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.439 1.037 -7.416 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.719 1.014 -7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.873 2.007 -8.797 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.954 0.980 -10.774 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.769 1.980 -9.901 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.291 1.130 -11.389 1.00 0.00 H new ATOM 1062 N THR A 66 -7.691 0.384 -10.795 1.00 0.00 N ATOM 1063 CA THR A 66 -6.233 0.365 -10.630 1.00 0.00 C ATOM 1064 C THR A 66 -5.738 1.729 -10.093 1.00 0.00 C ATOM 1065 O THR A 66 -6.463 2.718 -10.197 1.00 0.00 O ATOM 1066 CB THR A 66 -5.569 -0.004 -12.011 1.00 0.00 C ATOM 1067 OG1 THR A 66 -6.244 0.684 -13.086 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.599 -1.522 -12.264 1.00 0.00 C ATOM 0 H THR A 66 -7.989 0.913 -11.615 1.00 0.00 H new ATOM 0 HA THR A 66 -5.945 -0.389 -9.898 1.00 0.00 H new ATOM 0 HB THR A 66 -4.527 0.312 -11.973 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.623 0.028 -13.707 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.133 -1.740 -13.225 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.053 -2.034 -11.471 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.632 -1.869 -12.275 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.501 1.812 -9.489 1.00 0.00 N ATOM 1077 CA PRO A 67 -4.016 3.059 -8.851 1.00 0.00 C ATOM 1078 C PRO A 67 -3.826 4.210 -9.872 1.00 0.00 C ATOM 1079 O PRO A 67 -3.389 3.984 -11.007 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.673 2.631 -8.196 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.216 1.453 -9.005 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.478 0.724 -9.403 1.00 0.00 C ATOM 0 HA PRO A 67 -4.728 3.463 -8.131 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.942 3.439 -8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.810 2.363 -7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.654 1.773 -9.882 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.557 0.809 -8.423 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.360 0.209 -10.356 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.755 -0.029 -8.666 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.203 5.434 -9.458 1.00 0.00 N ATOM 1091 CA GLY A 68 -4.015 6.636 -10.269 1.00 0.00 C ATOM 1092 C GLY A 68 -5.231 7.020 -11.107 1.00 0.00 C ATOM 1093 O GLY A 68 -5.217 8.073 -11.755 1.00 0.00 O ATOM 0 H GLY A 68 -4.644 5.610 -8.555 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.763 7.468 -9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.164 6.484 -10.932 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.285 6.177 -11.111 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.528 6.467 -11.864 1.00 0.00 C ATOM 1099 C VAL A 69 -8.422 7.456 -11.086 1.00 0.00 C ATOM 1100 O VAL A 69 -8.301 7.596 -9.853 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.334 5.156 -12.204 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.451 4.149 -12.984 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.948 4.509 -10.936 1.00 0.00 C ATOM 0 H VAL A 69 -6.302 5.292 -10.604 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.230 6.925 -12.807 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.166 5.442 -12.848 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.031 3.253 -13.206 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.116 4.605 -13.916 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.585 3.880 -12.379 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.495 3.608 -11.215 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.152 4.248 -10.239 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.630 5.215 -10.461 1.00 0.00 H new ATOM 1113 N THR A 70 -9.307 8.147 -11.823 1.00 0.00 N ATOM 1114 CA THR A 70 -10.257 9.107 -11.254 1.00 0.00 C ATOM 1115 C THR A 70 -11.698 8.602 -11.451 1.00 0.00 C ATOM 1116 O THR A 70 -12.259 8.668 -12.558 1.00 0.00 O ATOM 1117 CB THR A 70 -10.095 10.525 -11.895 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.729 10.953 -11.785 1.00 0.00 O ATOM 1119 CG2 THR A 70 -11.007 11.573 -11.227 1.00 0.00 C ATOM 0 H THR A 70 -9.381 8.052 -12.836 1.00 0.00 H new ATOM 0 HA THR A 70 -10.045 9.195 -10.188 1.00 0.00 H new ATOM 0 HB THR A 70 -10.387 10.443 -12.942 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.631 11.840 -12.189 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.860 12.541 -11.705 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.049 11.270 -11.334 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.759 11.650 -10.168 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.253 8.041 -10.375 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.687 7.759 -10.249 1.00 0.00 C ATOM 1129 C LEU A 71 -14.452 9.083 -10.122 1.00 0.00 C ATOM 1130 O LEU A 71 -13.915 10.068 -9.623 1.00 0.00 O ATOM 1131 CB LEU A 71 -13.964 6.839 -9.015 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.766 5.292 -9.216 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.456 4.940 -9.949 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.841 4.562 -7.856 1.00 0.00 C ATOM 0 H LEU A 71 -11.713 7.765 -9.555 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.029 7.230 -11.139 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.314 7.160 -8.201 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.990 7.009 -8.690 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.579 4.951 -9.857 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.379 3.858 -10.056 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.455 5.404 -10.936 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.607 5.309 -9.374 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.702 3.492 -8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.058 4.939 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.815 4.740 -7.401 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.697 9.102 -10.597 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.573 10.280 -10.521 1.00 0.00 C ATOM 1148 C GLU A 72 -17.886 9.896 -9.834 1.00 0.00 C ATOM 1149 O GLU A 72 -18.322 8.745 -9.912 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.854 10.848 -11.934 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.624 11.424 -12.670 1.00 0.00 C ATOM 1152 CD GLU A 72 -15.967 11.953 -14.071 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -16.573 13.044 -14.172 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -15.672 11.266 -15.073 1.00 0.00 O ATOM 0 H GLU A 72 -16.133 8.298 -11.049 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.073 11.054 -9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.286 10.057 -12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.606 11.632 -11.850 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.195 12.231 -12.076 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.861 10.650 -12.755 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.490 10.861 -9.140 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.825 10.718 -8.562 1.00 0.00 C ATOM 1163 C LEU A 73 -20.809 11.539 -9.381 1.00 0.00 C ATOM 1164 O LEU A 73 -20.662 12.755 -9.503 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.842 11.146 -7.071 1.00 0.00 C ATOM 1166 CG LEU A 73 -19.058 10.213 -6.100 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.142 10.720 -4.640 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.548 8.746 -6.225 1.00 0.00 C ATOM 0 H LEU A 73 -18.063 11.770 -8.962 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.118 9.669 -8.593 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.429 12.152 -6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.878 11.201 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.007 10.236 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.585 10.047 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.716 11.721 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.185 10.750 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.985 8.115 -5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.609 8.695 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.394 8.397 -7.246 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.751 10.838 -10.013 1.00 0.00 N ATOM 1181 CA LYS A 74 -22.905 11.441 -10.697 1.00 0.00 C ATOM 1182 C LYS A 74 -24.142 11.199 -9.828 1.00 0.00 C ATOM 1183 O LYS A 74 -24.236 10.156 -9.176 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.090 10.827 -12.120 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.164 11.407 -13.225 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.655 11.184 -12.972 1.00 0.00 C ATOM 1187 CE LYS A 74 -19.772 11.649 -14.140 1.00 0.00 C ATOM 1188 NZ LYS A 74 -19.822 13.116 -14.341 1.00 0.00 N ATOM 0 H LYS A 74 -21.737 9.820 -10.067 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.747 12.511 -10.832 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.922 9.752 -12.057 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.126 10.970 -12.427 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.431 10.955 -14.180 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.351 12.477 -13.315 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.362 11.718 -12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.476 10.124 -12.789 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.741 11.346 -13.955 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.092 11.149 -15.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.301 13.327 -15.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -20.346 13.556 -13.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -18.854 13.496 -14.366 1.00 0.00 H new ATOM 1202 N THR A 75 -25.080 12.157 -9.817 1.00 0.00 N ATOM 1203 CA THR A 75 -26.289 12.072 -8.988 1.00 0.00 C ATOM 1204 C THR A 75 -27.185 10.891 -9.436 1.00 0.00 C ATOM 1205 O THR A 75 -27.266 10.566 -10.628 1.00 0.00 O ATOM 1206 CB THR A 75 -27.089 13.412 -9.021 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.383 13.765 -10.384 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.329 14.571 -8.346 1.00 0.00 C ATOM 0 H THR A 75 -25.022 13.007 -10.379 1.00 0.00 H new ATOM 0 HA THR A 75 -25.975 11.891 -7.960 1.00 0.00 H new ATOM 0 HB THR A 75 -28.010 13.252 -8.460 1.00 0.00 H new ATOM 0 HG1 THR A 75 -27.887 14.605 -10.403 1.00 0.00 H new ATOM 0 HG21 THR A 75 -26.930 15.479 -8.397 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.137 14.321 -7.303 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.382 14.734 -8.861 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.842 10.262 -8.462 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.648 9.057 -8.662 1.00 0.00 C ATOM 1218 C ARG A 76 -30.100 9.361 -8.285 1.00 0.00 C ATOM 1219 O ARG A 76 -30.418 9.533 -7.099 1.00 0.00 O ATOM 1220 CB ARG A 76 -28.084 7.904 -7.791 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.782 6.549 -7.982 1.00 0.00 C ATOM 1222 CD ARG A 76 -28.205 5.451 -7.076 1.00 0.00 C ATOM 1223 NE ARG A 76 -28.908 4.171 -7.268 1.00 0.00 N ATOM 1224 CZ ARG A 76 -28.480 2.977 -6.832 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -27.342 2.859 -6.146 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -29.199 1.893 -7.089 1.00 0.00 N ATOM 0 H ARG A 76 -27.829 10.581 -7.493 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.610 8.749 -9.707 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -27.024 7.785 -8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.159 8.190 -6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -29.847 6.661 -7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.689 6.241 -9.023 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -27.144 5.321 -7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -28.284 5.759 -6.033 1.00 0.00 H new ATOM 0 HE ARG A 76 -29.793 4.195 -7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -26.780 3.686 -5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -27.034 1.942 -5.823 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -30.070 1.971 -7.614 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -28.881 0.981 -6.761 1.00 0.00 H new