USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 9 ASN : amide:sc= -0.41 K(o=0.15,f=-2.2) USER MOD Set 1.2: A 86 LYS NZ :NH3+ -140:sc= 0.559 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.08 (180deg=0.358!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -112:sc= 0.083 USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.0922 (180deg=-0.433) USER MOD Single : A 8 ASN : amide:sc= -1.43 K(o=-1.4,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= 0.86 (180deg=0.806) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 0.716 (180deg=0.273) USER MOD Single : A 16 LYS NZ :NH3+ -146:sc= 0.444 (180deg=0.0735) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -168:sc= -0.619 (180deg=-1.11) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -170:sc= -0.336 (180deg=-0.728) USER MOD Single : A 28 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.12) USER MOD Single : A 34 GLN : amide:sc= 0.497 K(o=0.5,f=-0.037) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0217) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.75 USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00654) USER MOD Single : A 53 GLN : amide:sc= 0.334 K(o=0.33,f=-3.9!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.24 X(o=-1.2,f=-1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HE2:sc= 0.0539 K(o=0.054,f=-3!) USER MOD Single : A 76 HIS : no HD1:sc= -0.453 K(o=-0.45,f=0.099) USER MOD Single : A 82 ASN : amide:sc= -2.39 K(o=-2.4,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.164 2.964 -11.463 1.00 0.00 N ATOM 2 CA MET A 1 -0.673 4.167 -10.755 1.00 0.00 C ATOM 3 C MET A 1 0.144 3.736 -9.521 1.00 0.00 C ATOM 4 O MET A 1 -0.415 3.527 -8.437 1.00 0.00 O ATOM 5 CB MET A 1 -1.861 5.095 -10.349 1.00 0.00 C ATOM 6 CG MET A 1 -2.696 5.639 -11.524 1.00 0.00 C ATOM 7 SD MET A 1 -3.524 4.335 -12.471 1.00 0.00 S ATOM 8 CE MET A 1 -4.368 5.283 -13.741 1.00 0.00 C ATOM 0 H1 MET A 1 -2.029 3.200 -11.990 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.435 2.629 -12.125 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.373 2.216 -10.772 1.00 0.00 H new ATOM 0 HA MET A 1 -0.028 4.738 -11.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.521 4.543 -9.680 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.466 5.939 -9.783 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.445 6.332 -11.140 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.047 6.208 -12.190 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.918 4.606 -14.395 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.063 5.980 -13.273 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.636 5.839 -14.327 1.00 0.00 H new ATOM 18 N SER A 2 1.471 3.563 -9.703 1.00 0.00 N ATOM 19 CA SER A 2 2.375 3.098 -8.627 1.00 0.00 C ATOM 20 C SER A 2 2.784 4.262 -7.695 1.00 0.00 C ATOM 21 O SER A 2 2.763 4.110 -6.466 1.00 0.00 O ATOM 22 CB SER A 2 3.621 2.415 -9.234 1.00 0.00 C ATOM 23 OG SER A 2 3.259 1.301 -10.039 1.00 0.00 O ATOM 0 H SER A 2 1.943 3.739 -10.590 1.00 0.00 H new ATOM 0 HA SER A 2 1.837 2.368 -8.023 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.177 3.135 -9.835 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.285 2.088 -8.434 1.00 0.00 H new ATOM 0 HG SER A 2 4.067 0.890 -10.411 1.00 0.00 H new ATOM 29 N LYS A 3 3.138 5.417 -8.310 1.00 0.00 N ATOM 30 CA LYS A 3 3.587 6.647 -7.609 1.00 0.00 C ATOM 31 C LYS A 3 4.869 6.369 -6.780 1.00 0.00 C ATOM 32 O LYS A 3 4.801 5.877 -5.649 1.00 0.00 O ATOM 33 CB LYS A 3 2.441 7.226 -6.731 1.00 0.00 C ATOM 34 CG LYS A 3 2.738 8.590 -6.061 1.00 0.00 C ATOM 35 CD LYS A 3 1.559 9.093 -5.190 1.00 0.00 C ATOM 36 CE LYS A 3 1.174 8.097 -4.071 1.00 0.00 C ATOM 37 NZ LYS A 3 0.048 8.591 -3.247 1.00 0.00 N ATOM 0 H LYS A 3 3.119 5.523 -9.324 1.00 0.00 H new ATOM 0 HA LYS A 3 3.840 7.402 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.550 7.332 -7.350 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.203 6.502 -5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.630 8.500 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.958 9.329 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.826 10.050 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.692 9.270 -5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.904 7.139 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.039 7.919 -3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.176 7.892 -2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.314 9.492 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.786 8.737 -3.851 1.00 0.00 H new ATOM 51 N THR A 4 6.030 6.698 -7.364 1.00 0.00 N ATOM 52 CA THR A 4 7.353 6.262 -6.864 1.00 0.00 C ATOM 53 C THR A 4 7.918 7.118 -5.704 1.00 0.00 C ATOM 54 O THR A 4 9.039 6.850 -5.254 1.00 0.00 O ATOM 55 CB THR A 4 8.369 6.253 -8.050 1.00 0.00 C ATOM 56 OG1 THR A 4 8.341 7.530 -8.711 1.00 0.00 O ATOM 57 CG2 THR A 4 8.057 5.143 -9.071 1.00 0.00 C ATOM 0 H THR A 4 6.084 7.277 -8.202 1.00 0.00 H new ATOM 0 HA THR A 4 7.209 5.264 -6.451 1.00 0.00 H new ATOM 0 HB THR A 4 9.359 6.057 -7.638 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.961 7.426 -9.608 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.789 5.175 -9.878 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.102 4.172 -8.578 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.059 5.296 -9.481 1.00 0.00 H new ATOM 65 N ALA A 5 7.144 8.127 -5.223 1.00 0.00 N ATOM 66 CA ALA A 5 7.575 9.065 -4.145 1.00 0.00 C ATOM 67 C ALA A 5 8.819 9.894 -4.563 1.00 0.00 C ATOM 68 O ALA A 5 9.197 9.898 -5.749 1.00 0.00 O ATOM 69 CB ALA A 5 7.798 8.316 -2.806 1.00 0.00 C ATOM 0 H ALA A 5 6.203 8.315 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 5 6.765 9.777 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.111 9.025 -2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.869 7.836 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.571 7.559 -2.937 1.00 0.00 H new ATOM 75 N LYS A 6 9.420 10.628 -3.588 1.00 0.00 N ATOM 76 CA LYS A 6 10.624 11.477 -3.813 1.00 0.00 C ATOM 77 C LYS A 6 10.332 12.583 -4.851 1.00 0.00 C ATOM 78 O LYS A 6 11.211 12.959 -5.634 1.00 0.00 O ATOM 79 CB LYS A 6 11.847 10.606 -4.256 1.00 0.00 C ATOM 80 CG LYS A 6 12.393 9.639 -3.184 1.00 0.00 C ATOM 81 CD LYS A 6 13.049 10.380 -1.991 1.00 0.00 C ATOM 82 CE LYS A 6 13.795 9.428 -1.043 1.00 0.00 C ATOM 83 NZ LYS A 6 14.852 8.659 -1.751 1.00 0.00 N ATOM 0 H LYS A 6 9.085 10.648 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 6 10.877 11.959 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.560 10.025 -5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.653 11.272 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.579 9.014 -2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.125 8.973 -3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.745 11.128 -2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.280 10.914 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.244 10.001 -0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.085 8.737 -0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.521 8.269 -1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.416 7.881 -2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.359 9.288 -2.406 1.00 0.00 H new ATOM 97 N LEU A 7 9.087 13.094 -4.828 1.00 0.00 N ATOM 98 CA LEU A 7 8.577 14.068 -5.814 1.00 0.00 C ATOM 99 C LEU A 7 9.399 15.370 -5.764 1.00 0.00 C ATOM 100 O LEU A 7 9.303 16.143 -4.804 1.00 0.00 O ATOM 101 CB LEU A 7 7.049 14.310 -5.567 1.00 0.00 C ATOM 102 CG LEU A 7 6.242 15.123 -6.653 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.731 14.854 -6.522 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.503 16.653 -6.595 1.00 0.00 C ATOM 0 H LEU A 7 8.400 12.841 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 7 8.690 13.668 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.571 13.337 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.943 14.829 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 7 6.602 14.771 -7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.193 15.424 -7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.537 13.791 -6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.392 15.157 -5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.918 17.151 -7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.212 17.035 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.563 16.848 -6.760 1.00 0.00 H new ATOM 116 N ASN A 8 10.240 15.559 -6.789 1.00 0.00 N ATOM 117 CA ASN A 8 11.070 16.765 -6.978 1.00 0.00 C ATOM 118 C ASN A 8 10.562 17.548 -8.200 1.00 0.00 C ATOM 119 O ASN A 8 9.981 16.954 -9.124 1.00 0.00 O ATOM 120 CB ASN A 8 12.574 16.380 -7.160 1.00 0.00 C ATOM 121 CG ASN A 8 13.317 15.969 -5.870 1.00 0.00 C ATOM 122 OD1 ASN A 8 14.513 16.223 -5.728 1.00 0.00 O ATOM 123 ND2 ASN A 8 12.651 15.309 -4.940 1.00 0.00 N ATOM 0 H ASN A 8 10.368 14.867 -7.527 1.00 0.00 H new ATOM 0 HA ASN A 8 10.991 17.393 -6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.637 15.557 -7.872 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.096 17.227 -7.605 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.127 15.003 -4.092 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.660 15.105 -5.070 1.00 0.00 H new ATOM 130 N ASN A 9 10.778 18.887 -8.168 1.00 0.00 N ATOM 131 CA ASN A 9 10.403 19.825 -9.252 1.00 0.00 C ATOM 132 C ASN A 9 8.876 19.845 -9.446 1.00 0.00 C ATOM 133 O ASN A 9 8.380 19.788 -10.579 1.00 0.00 O ATOM 134 CB ASN A 9 11.182 19.512 -10.580 1.00 0.00 C ATOM 135 CG ASN A 9 12.676 19.924 -10.573 1.00 0.00 C ATOM 136 OD1 ASN A 9 13.246 20.243 -11.620 1.00 0.00 O ATOM 137 ND2 ASN A 9 13.329 19.919 -9.407 1.00 0.00 N ATOM 0 H ASN A 9 11.224 19.350 -7.376 1.00 0.00 H new ATOM 0 HA ASN A 9 10.701 20.831 -8.958 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.116 18.442 -10.779 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.684 20.021 -11.405 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.314 20.182 -9.373 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.842 19.653 -8.551 1.00 0.00 H new ATOM 144 N GLU A 10 8.159 19.974 -8.299 1.00 0.00 N ATOM 145 CA GLU A 10 6.675 19.959 -8.214 1.00 0.00 C ATOM 146 C GLU A 10 6.019 20.870 -9.244 1.00 0.00 C ATOM 147 O GLU A 10 5.025 20.505 -9.842 1.00 0.00 O ATOM 148 CB GLU A 10 6.206 20.396 -6.797 1.00 0.00 C ATOM 149 CG GLU A 10 4.671 20.386 -6.602 1.00 0.00 C ATOM 150 CD GLU A 10 4.204 20.750 -5.189 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.191 19.868 -4.306 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.845 21.922 -4.955 1.00 0.00 O ATOM 0 H GLU A 10 8.605 20.094 -7.390 1.00 0.00 H new ATOM 0 HA GLU A 10 6.368 18.933 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.659 19.735 -6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.579 21.401 -6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.224 21.085 -7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.293 19.394 -6.851 1.00 0.00 H new ATOM 159 N GLU A 11 6.625 22.041 -9.437 1.00 0.00 N ATOM 160 CA GLU A 11 6.116 23.116 -10.301 1.00 0.00 C ATOM 161 C GLU A 11 5.875 22.606 -11.747 1.00 0.00 C ATOM 162 O GLU A 11 4.870 22.951 -12.375 1.00 0.00 O ATOM 163 CB GLU A 11 7.124 24.307 -10.234 1.00 0.00 C ATOM 164 CG GLU A 11 6.533 25.718 -10.461 1.00 0.00 C ATOM 165 CD GLU A 11 6.275 26.072 -11.930 1.00 0.00 C ATOM 166 OE1 GLU A 11 7.231 26.491 -12.619 1.00 0.00 O ATOM 167 OE2 GLU A 11 5.130 25.927 -12.415 1.00 0.00 O ATOM 0 H GLU A 11 7.508 22.279 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 11 5.143 23.462 -9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.607 24.292 -9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.903 24.138 -10.978 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.595 25.798 -9.911 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.214 26.456 -10.037 1.00 0.00 H new ATOM 174 N LYS A 12 6.779 21.729 -12.226 1.00 0.00 N ATOM 175 CA LYS A 12 6.653 21.066 -13.548 1.00 0.00 C ATOM 176 C LYS A 12 5.468 20.076 -13.565 1.00 0.00 C ATOM 177 O LYS A 12 4.742 19.974 -14.566 1.00 0.00 O ATOM 178 CB LYS A 12 7.969 20.332 -13.930 1.00 0.00 C ATOM 179 CG LYS A 12 9.238 21.218 -13.854 1.00 0.00 C ATOM 180 CD LYS A 12 10.486 20.564 -14.495 1.00 0.00 C ATOM 181 CE LYS A 12 10.389 20.467 -16.034 1.00 0.00 C ATOM 182 NZ LYS A 12 11.589 19.821 -16.627 1.00 0.00 N ATOM 0 H LYS A 12 7.617 21.458 -11.712 1.00 0.00 H new ATOM 0 HA LYS A 12 6.462 21.844 -14.287 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.098 19.475 -13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.873 19.942 -14.943 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.039 22.167 -14.351 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.452 21.444 -12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.371 21.141 -14.227 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.620 19.565 -14.081 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.499 19.899 -16.306 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.270 21.466 -16.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.556 19.912 -17.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.447 20.285 -16.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.605 18.814 -16.368 1.00 0.00 H new ATOM 196 N LEU A 13 5.285 19.349 -12.445 1.00 0.00 N ATOM 197 CA LEU A 13 4.161 18.404 -12.271 1.00 0.00 C ATOM 198 C LEU A 13 2.815 19.145 -12.214 1.00 0.00 C ATOM 199 O LEU A 13 1.799 18.626 -12.675 1.00 0.00 O ATOM 200 CB LEU A 13 4.342 17.527 -11.002 1.00 0.00 C ATOM 201 CG LEU A 13 5.467 16.444 -11.084 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.859 16.998 -10.726 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.128 15.197 -10.252 1.00 0.00 C ATOM 0 H LEU A 13 5.908 19.399 -11.639 1.00 0.00 H new ATOM 0 HA LEU A 13 4.160 17.747 -13.141 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.554 18.182 -10.157 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.397 17.028 -10.789 1.00 0.00 H new ATOM 0 HG LEU A 13 5.513 16.139 -12.130 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.598 16.200 -10.801 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.120 17.800 -11.416 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.845 17.386 -9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.937 14.471 -10.338 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.004 15.480 -9.207 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.203 14.754 -10.620 1.00 0.00 H new ATOM 215 N VAL A 14 2.837 20.353 -11.637 1.00 0.00 N ATOM 216 CA VAL A 14 1.672 21.247 -11.578 1.00 0.00 C ATOM 217 C VAL A 14 1.266 21.638 -13.001 1.00 0.00 C ATOM 218 O VAL A 14 0.094 21.501 -13.359 1.00 0.00 O ATOM 219 CB VAL A 14 1.967 22.526 -10.714 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.763 23.512 -10.708 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.366 22.120 -9.282 1.00 0.00 C ATOM 0 H VAL A 14 3.670 20.741 -11.194 1.00 0.00 H new ATOM 0 HA VAL A 14 0.851 20.717 -11.096 1.00 0.00 H new ATOM 0 HB VAL A 14 2.804 23.055 -11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.008 24.382 -10.099 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.549 23.831 -11.728 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.113 23.014 -10.292 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.568 23.015 -8.693 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.552 21.559 -8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.261 21.498 -9.316 1.00 0.00 H new ATOM 231 N LYS A 15 2.267 22.061 -13.816 1.00 0.00 N ATOM 232 CA LYS A 15 2.065 22.399 -15.245 1.00 0.00 C ATOM 233 C LYS A 15 1.415 21.224 -15.993 1.00 0.00 C ATOM 234 O LYS A 15 0.457 21.411 -16.748 1.00 0.00 O ATOM 235 CB LYS A 15 3.400 22.733 -15.962 1.00 0.00 C ATOM 236 CG LYS A 15 4.219 23.894 -15.377 1.00 0.00 C ATOM 237 CD LYS A 15 5.491 24.169 -16.220 1.00 0.00 C ATOM 238 CE LYS A 15 6.478 25.120 -15.535 1.00 0.00 C ATOM 239 NZ LYS A 15 5.860 26.421 -15.174 1.00 0.00 N ATOM 0 H LYS A 15 3.230 22.176 -13.501 1.00 0.00 H new ATOM 0 HA LYS A 15 1.418 23.276 -15.262 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.023 21.839 -15.957 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.180 22.962 -17.005 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.604 24.793 -15.340 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.504 23.660 -14.351 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.992 23.224 -16.427 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.197 24.592 -17.181 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.869 24.645 -14.635 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.326 25.296 -16.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.605 27.133 -15.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.226 26.728 -15.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.316 26.314 -14.294 1.00 0.00 H new ATOM 253 N LYS A 16 1.949 20.007 -15.753 1.00 0.00 N ATOM 254 CA LYS A 16 1.502 18.785 -16.447 1.00 0.00 C ATOM 255 C LYS A 16 0.106 18.354 -15.978 1.00 0.00 C ATOM 256 O LYS A 16 -0.642 17.737 -16.733 1.00 0.00 O ATOM 257 CB LYS A 16 2.514 17.629 -16.251 1.00 0.00 C ATOM 258 CG LYS A 16 2.302 16.421 -17.201 1.00 0.00 C ATOM 259 CD LYS A 16 2.460 16.829 -18.685 1.00 0.00 C ATOM 260 CE LYS A 16 2.062 15.730 -19.676 1.00 0.00 C ATOM 261 NZ LYS A 16 2.116 16.222 -21.075 1.00 0.00 N ATOM 0 H LYS A 16 2.696 19.847 -15.078 1.00 0.00 H new ATOM 0 HA LYS A 16 1.447 19.019 -17.510 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.522 18.017 -16.396 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.452 17.280 -15.220 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.020 15.637 -16.960 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.308 16.002 -17.042 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.852 17.714 -18.875 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.498 17.110 -18.866 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.729 14.876 -19.562 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.055 15.380 -19.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.367 15.765 -21.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.976 17.252 -21.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.043 15.994 -21.488 1.00 0.00 H new ATOM 275 N ALA A 17 -0.232 18.683 -14.731 1.00 0.00 N ATOM 276 CA ALA A 17 -1.565 18.417 -14.172 1.00 0.00 C ATOM 277 C ALA A 17 -2.587 19.413 -14.739 1.00 0.00 C ATOM 278 O ALA A 17 -3.769 19.092 -14.857 1.00 0.00 O ATOM 279 CB ALA A 17 -1.522 18.476 -12.648 1.00 0.00 C ATOM 0 H ALA A 17 0.405 19.140 -14.079 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.877 17.413 -14.460 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.516 18.277 -12.248 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.824 17.727 -12.274 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.195 19.466 -12.331 1.00 0.00 H new ATOM 285 N LEU A 18 -2.110 20.625 -15.096 1.00 0.00 N ATOM 286 CA LEU A 18 -2.927 21.628 -15.807 1.00 0.00 C ATOM 287 C LEU A 18 -3.172 21.156 -17.247 1.00 0.00 C ATOM 288 O LEU A 18 -4.259 21.351 -17.790 1.00 0.00 O ATOM 289 CB LEU A 18 -2.260 23.038 -15.814 1.00 0.00 C ATOM 290 CG LEU A 18 -1.873 23.631 -14.424 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.385 25.092 -14.532 1.00 0.00 C ATOM 292 CD2 LEU A 18 -3.017 23.484 -13.405 1.00 0.00 C ATOM 0 H LEU A 18 -1.157 20.932 -14.901 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.874 21.724 -15.276 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.359 22.986 -16.426 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.940 23.735 -16.305 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.032 23.045 -14.052 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.127 25.464 -13.540 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.507 25.136 -15.176 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.177 25.710 -14.956 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.710 23.908 -12.449 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.899 24.011 -13.769 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.254 22.428 -13.274 1.00 0.00 H new ATOM 304 N GLU A 19 -2.146 20.520 -17.843 1.00 0.00 N ATOM 305 CA GLU A 19 -2.231 19.948 -19.196 1.00 0.00 C ATOM 306 C GLU A 19 -3.274 18.820 -19.236 1.00 0.00 C ATOM 307 O GLU A 19 -4.283 18.943 -19.921 1.00 0.00 O ATOM 308 CB GLU A 19 -0.846 19.419 -19.660 1.00 0.00 C ATOM 309 CG GLU A 19 0.226 20.513 -19.841 1.00 0.00 C ATOM 310 CD GLU A 19 1.608 19.961 -20.235 1.00 0.00 C ATOM 311 OE1 GLU A 19 1.703 19.260 -21.274 1.00 0.00 O ATOM 312 OE2 GLU A 19 2.602 20.226 -19.517 1.00 0.00 O ATOM 0 H GLU A 19 -1.237 20.389 -17.399 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.542 20.737 -19.880 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.486 18.692 -18.932 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.971 18.890 -20.605 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.108 21.214 -20.606 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.320 21.076 -18.912 1.00 0.00 H new ATOM 319 N ILE A 20 -3.037 17.766 -18.441 1.00 0.00 N ATOM 320 CA ILE A 20 -3.848 16.538 -18.443 1.00 0.00 C ATOM 321 C ILE A 20 -5.241 16.798 -17.844 1.00 0.00 C ATOM 322 O ILE A 20 -6.245 16.458 -18.462 1.00 0.00 O ATOM 323 CB ILE A 20 -3.119 15.366 -17.680 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.699 15.102 -18.286 1.00 0.00 C ATOM 325 CG2 ILE A 20 -3.966 14.069 -17.683 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.688 14.725 -19.763 1.00 0.00 C ATOM 0 H ILE A 20 -2.268 17.741 -17.771 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.976 16.229 -19.480 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.997 15.678 -16.643 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.091 15.996 -18.150 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.222 14.303 -17.719 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.431 13.284 -17.148 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.921 14.257 -17.192 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.143 13.752 -18.711 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.661 14.563 -20.089 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.264 13.811 -19.910 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.131 15.531 -20.348 1.00 0.00 H new ATOM 338 N GLY A 21 -5.282 17.436 -16.669 1.00 0.00 N ATOM 339 CA GLY A 21 -6.543 17.774 -16.005 1.00 0.00 C ATOM 340 C GLY A 21 -7.366 18.784 -16.805 1.00 0.00 C ATOM 341 O GLY A 21 -8.591 18.693 -16.843 1.00 0.00 O ATOM 0 H GLY A 21 -4.450 17.730 -16.157 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.129 16.866 -15.858 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.333 18.182 -15.016 1.00 0.00 H new ATOM 345 N GLY A 22 -6.664 19.725 -17.470 1.00 0.00 N ATOM 346 CA GLY A 22 -7.305 20.745 -18.303 1.00 0.00 C ATOM 347 C GLY A 22 -7.919 20.178 -19.584 1.00 0.00 C ATOM 348 O GLY A 22 -9.042 20.537 -19.937 1.00 0.00 O ATOM 0 H GLY A 22 -5.647 19.793 -17.441 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.083 21.242 -17.724 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.569 21.505 -18.566 1.00 0.00 H new ATOM 352 N LYS A 23 -7.181 19.274 -20.282 1.00 0.00 N ATOM 353 CA LYS A 23 -7.653 18.660 -21.549 1.00 0.00 C ATOM 354 C LYS A 23 -8.753 17.630 -21.280 1.00 0.00 C ATOM 355 O LYS A 23 -9.685 17.500 -22.070 1.00 0.00 O ATOM 356 CB LYS A 23 -6.483 18.049 -22.396 1.00 0.00 C ATOM 357 CG LYS A 23 -5.662 16.891 -21.754 1.00 0.00 C ATOM 358 CD LYS A 23 -6.233 15.469 -21.978 1.00 0.00 C ATOM 359 CE LYS A 23 -5.411 14.392 -21.241 1.00 0.00 C ATOM 360 NZ LYS A 23 -5.924 13.026 -21.470 1.00 0.00 N ATOM 0 H LYS A 23 -6.258 18.956 -19.987 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.079 19.461 -22.153 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.901 17.685 -23.335 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.792 18.854 -22.645 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.648 16.924 -22.151 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.590 17.071 -20.681 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.266 15.435 -21.633 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.246 15.248 -23.045 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.373 14.445 -21.569 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.418 14.604 -20.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.335 12.343 -20.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.906 12.963 -21.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.893 12.809 -22.487 1.00 0.00 H new ATOM 374 N MET A 24 -8.637 16.904 -20.146 1.00 0.00 N ATOM 375 CA MET A 24 -9.668 15.947 -19.709 1.00 0.00 C ATOM 376 C MET A 24 -10.969 16.701 -19.428 1.00 0.00 C ATOM 377 O MET A 24 -12.009 16.335 -19.953 1.00 0.00 O ATOM 378 CB MET A 24 -9.234 15.135 -18.457 1.00 0.00 C ATOM 379 CG MET A 24 -8.217 14.018 -18.719 1.00 0.00 C ATOM 380 SD MET A 24 -8.105 12.828 -17.358 1.00 0.00 S ATOM 381 CE MET A 24 -8.058 13.891 -15.915 1.00 0.00 C ATOM 0 H MET A 24 -7.836 16.966 -19.518 1.00 0.00 H new ATOM 0 HA MET A 24 -9.817 15.227 -20.513 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.811 15.824 -17.726 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.123 14.696 -18.004 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.492 13.491 -19.633 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.235 14.461 -18.889 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.777 13.305 -15.040 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.326 14.684 -16.071 1.00 0.00 H new ATOM 0 HE3 MET A 24 -9.042 14.332 -15.756 1.00 0.00 H new ATOM 391 N ALA A 25 -10.865 17.789 -18.631 1.00 0.00 N ATOM 392 CA ALA A 25 -12.000 18.677 -18.308 1.00 0.00 C ATOM 393 C ALA A 25 -12.663 19.194 -19.586 1.00 0.00 C ATOM 394 O ALA A 25 -13.882 19.082 -19.757 1.00 0.00 O ATOM 395 CB ALA A 25 -11.536 19.850 -17.422 1.00 0.00 C ATOM 0 H ALA A 25 -9.989 18.074 -18.194 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.738 18.099 -17.752 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.386 20.493 -17.195 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.117 19.461 -16.494 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.776 20.426 -17.950 1.00 0.00 H new ATOM 401 N LYS A 26 -11.810 19.691 -20.490 1.00 0.00 N ATOM 402 CA LYS A 26 -12.212 20.274 -21.775 1.00 0.00 C ATOM 403 C LYS A 26 -13.134 19.303 -22.543 1.00 0.00 C ATOM 404 O LYS A 26 -14.296 19.632 -22.820 1.00 0.00 O ATOM 405 CB LYS A 26 -10.940 20.611 -22.598 1.00 0.00 C ATOM 406 CG LYS A 26 -11.168 21.474 -23.861 1.00 0.00 C ATOM 407 CD LYS A 26 -9.876 21.641 -24.705 1.00 0.00 C ATOM 408 CE LYS A 26 -8.715 22.291 -23.920 1.00 0.00 C ATOM 409 NZ LYS A 26 -7.456 22.299 -24.705 1.00 0.00 N ATOM 0 H LYS A 26 -10.800 19.699 -20.345 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.775 21.192 -21.603 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.236 21.130 -21.948 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.466 19.677 -22.899 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.943 21.016 -24.475 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.535 22.457 -23.565 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.558 20.664 -25.068 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.099 22.249 -25.582 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.984 23.313 -23.653 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.558 21.749 -22.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.700 22.743 -24.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.186 21.322 -24.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.598 22.838 -25.583 1.00 0.00 H new ATOM 423 N MET A 27 -12.621 18.070 -22.749 1.00 0.00 N ATOM 424 CA MET A 27 -13.307 16.994 -23.498 1.00 0.00 C ATOM 425 C MET A 27 -14.553 16.461 -22.754 1.00 0.00 C ATOM 426 O MET A 27 -15.517 16.023 -23.390 1.00 0.00 O ATOM 427 CB MET A 27 -12.324 15.827 -23.766 1.00 0.00 C ATOM 428 CG MET A 27 -11.087 16.202 -24.601 1.00 0.00 C ATOM 429 SD MET A 27 -10.004 14.790 -24.926 1.00 0.00 S ATOM 430 CE MET A 27 -9.609 14.219 -23.269 1.00 0.00 C ATOM 0 H MET A 27 -11.706 17.790 -22.395 1.00 0.00 H new ATOM 0 HA MET A 27 -13.645 17.423 -24.441 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.991 15.425 -22.809 1.00 0.00 H new ATOM 0 HB3 MET A 27 -12.861 15.028 -24.277 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.411 16.631 -25.549 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.522 16.974 -24.078 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.816 13.473 -23.321 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.276 15.062 -22.663 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.495 13.775 -22.816 1.00 0.00 H new ATOM 440 N GLN A 28 -14.514 16.485 -21.405 1.00 0.00 N ATOM 441 CA GLN A 28 -15.667 16.096 -20.550 1.00 0.00 C ATOM 442 C GLN A 28 -16.782 17.151 -20.639 1.00 0.00 C ATOM 443 O GLN A 28 -17.941 16.868 -20.315 1.00 0.00 O ATOM 444 CB GLN A 28 -15.226 15.890 -19.065 1.00 0.00 C ATOM 445 CG GLN A 28 -14.348 14.640 -18.813 1.00 0.00 C ATOM 446 CD GLN A 28 -15.018 13.338 -19.266 1.00 0.00 C ATOM 447 OE1 GLN A 28 -15.777 12.723 -18.519 1.00 0.00 O ATOM 448 NE2 GLN A 28 -14.736 12.908 -20.487 1.00 0.00 N ATOM 0 H GLN A 28 -13.690 16.772 -20.876 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.054 15.146 -20.920 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.677 16.773 -18.738 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.118 15.821 -18.443 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.400 14.756 -19.338 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.117 14.573 -17.750 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.102 13.442 -21.082 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.153 12.043 -20.832 1.00 0.00 H new ATOM 457 N GLY A 29 -16.409 18.365 -21.068 1.00 0.00 N ATOM 458 CA GLY A 29 -17.357 19.445 -21.312 1.00 0.00 C ATOM 459 C GLY A 29 -17.107 20.606 -20.379 1.00 0.00 C ATOM 460 O GLY A 29 -18.003 21.022 -19.635 1.00 0.00 O ATOM 0 H GLY A 29 -15.439 18.619 -21.254 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.274 19.780 -22.346 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.374 19.078 -21.177 1.00 0.00 H new ATOM 464 N PHE A 30 -15.853 21.100 -20.390 1.00 0.00 N ATOM 465 CA PHE A 30 -15.439 22.290 -19.603 1.00 0.00 C ATOM 466 C PHE A 30 -14.524 23.176 -20.453 1.00 0.00 C ATOM 467 O PHE A 30 -14.157 22.820 -21.579 1.00 0.00 O ATOM 468 CB PHE A 30 -14.703 21.896 -18.280 1.00 0.00 C ATOM 469 CG PHE A 30 -15.559 21.147 -17.251 1.00 0.00 C ATOM 470 CD1 PHE A 30 -16.415 21.843 -16.398 1.00 0.00 C ATOM 471 CD2 PHE A 30 -15.496 19.755 -17.126 1.00 0.00 C ATOM 472 CE1 PHE A 30 -17.179 21.171 -15.459 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.262 19.089 -16.188 1.00 0.00 C ATOM 474 CZ PHE A 30 -17.099 19.797 -15.354 1.00 0.00 C ATOM 0 H PHE A 30 -15.098 20.691 -20.941 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.343 22.833 -19.329 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.843 21.276 -18.533 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.316 22.803 -17.815 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.483 22.918 -16.471 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.839 19.192 -17.772 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.839 21.723 -14.807 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.204 18.013 -16.109 1.00 0.00 H new ATOM 0 HZ PHE A 30 -17.693 19.277 -14.617 1.00 0.00 H new ATOM 484 N ASP A 31 -14.191 24.342 -19.901 1.00 0.00 N ATOM 485 CA ASP A 31 -13.206 25.260 -20.465 1.00 0.00 C ATOM 486 C ASP A 31 -12.674 26.112 -19.308 1.00 0.00 C ATOM 487 O ASP A 31 -13.268 27.142 -18.948 1.00 0.00 O ATOM 488 CB ASP A 31 -13.829 26.125 -21.593 1.00 0.00 C ATOM 489 CG ASP A 31 -12.809 27.087 -22.227 1.00 0.00 C ATOM 490 OD1 ASP A 31 -12.062 26.661 -23.134 1.00 0.00 O ATOM 491 OD2 ASP A 31 -12.741 28.266 -21.810 1.00 0.00 O ATOM 0 H ASP A 31 -14.607 24.680 -19.033 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.386 24.715 -20.932 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.236 25.472 -22.365 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.663 26.699 -21.188 1.00 0.00 H new ATOM 496 N LEU A 32 -11.613 25.608 -18.667 1.00 0.00 N ATOM 497 CA LEU A 32 -10.977 26.267 -17.521 1.00 0.00 C ATOM 498 C LEU A 32 -10.225 27.517 -18.031 1.00 0.00 C ATOM 499 O LEU A 32 -9.471 27.393 -18.998 1.00 0.00 O ATOM 500 CB LEU A 32 -10.017 25.270 -16.804 1.00 0.00 C ATOM 501 CG LEU A 32 -10.623 23.860 -16.461 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.596 22.967 -15.733 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.941 23.975 -15.650 1.00 0.00 C ATOM 0 H LEU A 32 -11.170 24.728 -18.930 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.725 26.580 -16.793 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.140 25.123 -17.434 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.671 25.730 -15.878 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.869 23.381 -17.409 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.047 22.000 -15.511 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.723 22.822 -16.370 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.291 23.447 -14.803 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.324 22.977 -15.435 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.748 24.499 -14.714 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.678 24.530 -16.230 1.00 0.00 H new ATOM 515 N PRO A 33 -10.452 28.739 -17.426 1.00 0.00 N ATOM 516 CA PRO A 33 -9.843 30.011 -17.902 1.00 0.00 C ATOM 517 C PRO A 33 -8.300 29.953 -17.951 1.00 0.00 C ATOM 518 O PRO A 33 -7.627 29.992 -16.915 1.00 0.00 O ATOM 519 CB PRO A 33 -10.355 31.073 -16.883 1.00 0.00 C ATOM 520 CG PRO A 33 -11.599 30.464 -16.305 1.00 0.00 C ATOM 521 CD PRO A 33 -11.330 28.975 -16.247 1.00 0.00 C ATOM 0 HA PRO A 33 -10.128 30.241 -18.929 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.613 31.272 -16.109 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.568 32.023 -17.372 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.808 30.864 -15.313 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.468 30.682 -16.926 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.839 28.691 -15.316 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.252 28.397 -16.310 1.00 0.00 H new ATOM 529 N GLN A 34 -7.754 29.817 -19.172 1.00 0.00 N ATOM 530 CA GLN A 34 -6.305 29.702 -19.412 1.00 0.00 C ATOM 531 C GLN A 34 -5.606 31.072 -19.316 1.00 0.00 C ATOM 532 O GLN A 34 -4.416 31.141 -18.980 1.00 0.00 O ATOM 533 CB GLN A 34 -6.045 29.048 -20.803 1.00 0.00 C ATOM 534 CG GLN A 34 -6.644 27.631 -20.975 1.00 0.00 C ATOM 535 CD GLN A 34 -6.101 26.607 -19.971 1.00 0.00 C ATOM 536 OE1 GLN A 34 -5.102 25.935 -20.223 1.00 0.00 O ATOM 537 NE2 GLN A 34 -6.742 26.494 -18.811 1.00 0.00 N ATOM 0 H GLN A 34 -8.310 29.784 -20.026 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.882 29.065 -18.635 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.455 29.697 -21.577 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.969 28.995 -20.969 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.728 27.689 -20.871 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.439 27.280 -21.986 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.568 27.063 -18.627 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.407 25.838 -18.105 1.00 0.00 H new ATOM 546 N SER A 35 -6.357 32.155 -19.604 1.00 0.00 N ATOM 547 CA SER A 35 -5.802 33.519 -19.691 1.00 0.00 C ATOM 548 C SER A 35 -5.209 34.044 -18.339 1.00 0.00 C ATOM 549 O SER A 35 -4.043 34.471 -18.341 1.00 0.00 O ATOM 550 CB SER A 35 -6.855 34.504 -20.270 1.00 0.00 C ATOM 551 OG SER A 35 -7.309 34.092 -21.551 1.00 0.00 O ATOM 0 H SER A 35 -7.360 32.108 -19.782 1.00 0.00 H new ATOM 0 HA SER A 35 -4.957 33.464 -20.378 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.703 34.573 -19.588 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.421 35.501 -20.341 1.00 0.00 H new ATOM 0 HG SER A 35 -7.971 34.733 -21.885 1.00 0.00 H new ATOM 557 N PRO A 36 -5.958 34.029 -17.156 1.00 0.00 N ATOM 558 CA PRO A 36 -5.432 34.594 -15.881 1.00 0.00 C ATOM 559 C PRO A 36 -4.141 33.905 -15.386 1.00 0.00 C ATOM 560 O PRO A 36 -3.222 34.603 -14.943 1.00 0.00 O ATOM 561 CB PRO A 36 -6.589 34.398 -14.863 1.00 0.00 C ATOM 562 CG PRO A 36 -7.807 34.249 -15.718 1.00 0.00 C ATOM 563 CD PRO A 36 -7.336 33.501 -16.951 1.00 0.00 C ATOM 0 HA PRO A 36 -5.145 35.637 -16.013 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.428 33.517 -14.242 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.676 35.251 -14.190 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -8.589 33.697 -15.197 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.225 35.221 -15.982 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.336 32.422 -16.793 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.976 33.697 -17.811 1.00 0.00 H new ATOM 571 N GLN A 37 -4.130 32.537 -15.476 1.00 0.00 N ATOM 572 CA GLN A 37 -3.016 31.603 -15.088 1.00 0.00 C ATOM 573 C GLN A 37 -3.238 30.882 -13.707 1.00 0.00 C ATOM 574 O GLN A 37 -3.412 29.658 -13.723 1.00 0.00 O ATOM 575 CB GLN A 37 -1.569 32.199 -15.220 1.00 0.00 C ATOM 576 CG GLN A 37 -1.118 32.428 -16.675 1.00 0.00 C ATOM 577 CD GLN A 37 0.217 33.168 -16.793 1.00 0.00 C ATOM 578 OE1 GLN A 37 1.282 32.555 -16.791 1.00 0.00 O ATOM 579 NE2 GLN A 37 0.164 34.489 -16.904 1.00 0.00 N ATOM 0 H GLN A 37 -4.937 32.029 -15.839 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.073 30.829 -15.853 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.527 33.147 -14.684 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.864 31.526 -14.733 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.035 31.464 -17.177 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.886 32.996 -17.200 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.738 34.965 -16.902 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.025 35.028 -16.991 1.00 0.00 H new ATOM 588 N PRO A 38 -3.266 31.568 -12.488 1.00 0.00 N ATOM 589 CA PRO A 38 -3.390 30.847 -11.170 1.00 0.00 C ATOM 590 C PRO A 38 -4.742 30.123 -10.996 1.00 0.00 C ATOM 591 O PRO A 38 -4.836 29.124 -10.274 1.00 0.00 O ATOM 592 CB PRO A 38 -3.228 31.987 -10.124 1.00 0.00 C ATOM 593 CG PRO A 38 -3.696 33.208 -10.851 1.00 0.00 C ATOM 594 CD PRO A 38 -3.183 33.038 -12.259 1.00 0.00 C ATOM 0 HA PRO A 38 -2.651 30.052 -11.074 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.825 31.799 -9.232 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.192 32.087 -9.799 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.783 33.287 -10.833 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.303 34.116 -10.394 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.790 33.590 -12.976 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.161 33.402 -12.360 1.00 0.00 H new ATOM 602 N VAL A 39 -5.778 30.640 -11.692 1.00 0.00 N ATOM 603 CA VAL A 39 -7.141 30.084 -11.635 1.00 0.00 C ATOM 604 C VAL A 39 -7.197 28.661 -12.226 1.00 0.00 C ATOM 605 O VAL A 39 -8.051 27.870 -11.831 1.00 0.00 O ATOM 606 CB VAL A 39 -8.182 31.007 -12.370 1.00 0.00 C ATOM 607 CG1 VAL A 39 -8.208 32.428 -11.751 1.00 0.00 C ATOM 608 CG2 VAL A 39 -7.911 31.066 -13.894 1.00 0.00 C ATOM 0 H VAL A 39 -5.690 31.450 -12.305 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.411 30.035 -10.580 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.168 30.564 -12.229 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.937 33.042 -12.280 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.485 32.362 -10.699 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.220 32.881 -11.838 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.649 31.712 -14.370 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.912 31.464 -14.071 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.982 30.063 -14.315 1.00 0.00 H new ATOM 618 N ARG A 40 -6.261 28.357 -13.165 1.00 0.00 N ATOM 619 CA ARG A 40 -6.152 27.028 -13.808 1.00 0.00 C ATOM 620 C ARG A 40 -5.884 25.946 -12.756 1.00 0.00 C ATOM 621 O ARG A 40 -6.494 24.889 -12.790 1.00 0.00 O ATOM 622 CB ARG A 40 -5.001 27.001 -14.852 1.00 0.00 C ATOM 623 CG ARG A 40 -5.170 27.977 -16.030 1.00 0.00 C ATOM 624 CD ARG A 40 -3.951 27.972 -16.969 1.00 0.00 C ATOM 625 NE ARG A 40 -3.702 26.638 -17.561 1.00 0.00 N ATOM 626 CZ ARG A 40 -2.517 26.194 -17.997 1.00 0.00 C ATOM 627 NH1 ARG A 40 -1.433 26.952 -17.918 1.00 0.00 N ATOM 628 NH2 ARG A 40 -2.425 24.985 -18.532 1.00 0.00 N ATOM 0 H ARG A 40 -5.565 29.027 -13.493 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.098 26.832 -14.313 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.064 27.227 -14.344 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.913 25.989 -15.248 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.063 27.710 -16.595 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.326 28.985 -15.645 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.107 28.698 -17.767 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.068 28.292 -16.416 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.498 26.006 -17.643 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.494 27.889 -17.520 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.538 26.598 -18.255 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.255 24.397 -18.610 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.524 24.642 -18.866 1.00 0.00 H new ATOM 642 N VAL A 41 -4.978 26.264 -11.814 1.00 0.00 N ATOM 643 CA VAL A 41 -4.498 25.324 -10.785 1.00 0.00 C ATOM 644 C VAL A 41 -5.662 24.824 -9.902 1.00 0.00 C ATOM 645 O VAL A 41 -5.902 23.607 -9.781 1.00 0.00 O ATOM 646 CB VAL A 41 -3.351 26.000 -9.925 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.848 25.080 -8.792 1.00 0.00 C ATOM 648 CG2 VAL A 41 -2.170 26.431 -10.836 1.00 0.00 C ATOM 0 H VAL A 41 -4.555 27.189 -11.745 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.077 24.448 -11.278 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.782 26.884 -9.456 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.063 25.588 -8.232 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.675 24.841 -8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.450 24.160 -9.220 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.392 26.893 -10.229 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.763 25.556 -11.343 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.525 27.147 -11.577 1.00 0.00 H new ATOM 658 N LYS A 42 -6.429 25.775 -9.357 1.00 0.00 N ATOM 659 CA LYS A 42 -7.548 25.475 -8.444 1.00 0.00 C ATOM 660 C LYS A 42 -8.750 24.891 -9.241 1.00 0.00 C ATOM 661 O LYS A 42 -9.497 24.054 -8.724 1.00 0.00 O ATOM 662 CB LYS A 42 -7.915 26.755 -7.627 1.00 0.00 C ATOM 663 CG LYS A 42 -8.600 26.507 -6.250 1.00 0.00 C ATOM 664 CD LYS A 42 -10.093 26.093 -6.337 1.00 0.00 C ATOM 665 CE LYS A 42 -10.976 27.166 -7.005 1.00 0.00 C ATOM 666 NZ LYS A 42 -11.005 28.424 -6.226 1.00 0.00 N ATOM 0 H LYS A 42 -6.296 26.771 -9.533 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.254 24.710 -7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.004 27.330 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.576 27.374 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.051 25.728 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.522 27.415 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.174 25.162 -6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.469 25.894 -5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.602 27.370 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.991 26.784 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.675 29.088 -6.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.305 28.222 -5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.055 28.848 -6.215 1.00 0.00 H new ATOM 680 N ALA A 43 -8.903 25.322 -10.507 1.00 0.00 N ATOM 681 CA ALA A 43 -9.966 24.820 -11.417 1.00 0.00 C ATOM 682 C ALA A 43 -9.787 23.320 -11.717 1.00 0.00 C ATOM 683 O ALA A 43 -10.748 22.537 -11.645 1.00 0.00 O ATOM 684 CB ALA A 43 -9.979 25.622 -12.728 1.00 0.00 C ATOM 0 H ALA A 43 -8.299 26.025 -10.933 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.922 24.953 -10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.764 25.240 -13.381 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.169 26.673 -12.510 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.014 25.523 -13.225 1.00 0.00 H new ATOM 690 N VAL A 44 -8.531 22.944 -12.046 1.00 0.00 N ATOM 691 CA VAL A 44 -8.132 21.548 -12.303 1.00 0.00 C ATOM 692 C VAL A 44 -8.369 20.702 -11.045 1.00 0.00 C ATOM 693 O VAL A 44 -8.907 19.607 -11.140 1.00 0.00 O ATOM 694 CB VAL A 44 -6.623 21.445 -12.764 1.00 0.00 C ATOM 695 CG1 VAL A 44 -6.126 19.977 -12.818 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.414 22.120 -14.141 1.00 0.00 C ATOM 0 H VAL A 44 -7.762 23.608 -12.141 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.746 21.165 -13.118 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.032 21.972 -12.015 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.085 19.957 -13.140 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.209 19.528 -11.828 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.735 19.413 -13.524 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.367 22.034 -14.433 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.040 21.629 -14.886 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.687 23.173 -14.075 1.00 0.00 H new ATOM 706 N TYR A 45 -7.990 21.256 -9.877 1.00 0.00 N ATOM 707 CA TYR A 45 -8.228 20.633 -8.558 1.00 0.00 C ATOM 708 C TYR A 45 -9.714 20.246 -8.364 1.00 0.00 C ATOM 709 O TYR A 45 -10.005 19.073 -8.116 1.00 0.00 O ATOM 710 CB TYR A 45 -7.732 21.594 -7.450 1.00 0.00 C ATOM 711 CG TYR A 45 -8.274 21.333 -6.038 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.757 20.318 -5.223 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.315 22.114 -5.522 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.261 20.100 -3.951 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.812 21.896 -4.262 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.288 20.894 -3.482 1.00 0.00 C ATOM 717 OH TYR A 45 -9.800 20.690 -2.227 1.00 0.00 O ATOM 0 H TYR A 45 -7.508 22.153 -9.820 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.665 19.702 -8.498 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.644 21.544 -7.414 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.995 22.612 -7.736 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.954 19.697 -5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.735 22.903 -6.128 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.853 19.315 -3.331 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.615 22.512 -3.884 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.516 21.337 -2.057 1.00 0.00 H new ATOM 727 N LEU A 46 -10.630 21.237 -8.505 1.00 0.00 N ATOM 728 CA LEU A 46 -12.096 21.029 -8.336 1.00 0.00 C ATOM 729 C LEU A 46 -12.600 19.920 -9.268 1.00 0.00 C ATOM 730 O LEU A 46 -13.338 19.018 -8.844 1.00 0.00 O ATOM 731 CB LEU A 46 -12.892 22.334 -8.617 1.00 0.00 C ATOM 732 CG LEU A 46 -12.654 23.523 -7.638 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.518 24.737 -8.035 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.904 23.113 -6.164 1.00 0.00 C ATOM 0 H LEU A 46 -10.378 22.198 -8.738 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.260 20.735 -7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.650 22.670 -9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.955 22.093 -8.608 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.606 23.811 -7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.337 25.556 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.257 25.055 -9.045 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.572 24.460 -8.003 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.728 23.969 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.934 22.777 -6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.226 22.304 -5.891 1.00 0.00 H new ATOM 746 N PHE A 47 -12.153 20.001 -10.535 1.00 0.00 N ATOM 747 CA PHE A 47 -12.475 19.014 -11.572 1.00 0.00 C ATOM 748 C PHE A 47 -12.032 17.595 -11.146 1.00 0.00 C ATOM 749 O PHE A 47 -12.820 16.663 -11.231 1.00 0.00 O ATOM 750 CB PHE A 47 -11.830 19.421 -12.937 1.00 0.00 C ATOM 751 CG PHE A 47 -11.720 18.272 -13.949 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.861 17.687 -14.507 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.474 17.745 -14.296 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.752 16.614 -15.379 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.369 16.675 -15.158 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.507 16.110 -15.703 1.00 0.00 C ATOM 0 H PHE A 47 -11.555 20.759 -10.866 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.557 18.996 -11.701 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.419 20.224 -13.379 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.834 19.822 -12.750 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.837 18.075 -14.256 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.578 18.183 -13.882 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.641 16.172 -15.805 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.397 16.277 -15.408 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.423 15.274 -16.382 1.00 0.00 H new ATOM 766 N LEU A 48 -10.776 17.459 -10.684 1.00 0.00 N ATOM 767 CA LEU A 48 -10.178 16.158 -10.309 1.00 0.00 C ATOM 768 C LEU A 48 -10.855 15.549 -9.070 1.00 0.00 C ATOM 769 O LEU A 48 -10.961 14.326 -8.970 1.00 0.00 O ATOM 770 CB LEU A 48 -8.656 16.291 -10.056 1.00 0.00 C ATOM 771 CG LEU A 48 -7.776 16.682 -11.279 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.296 16.784 -10.869 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.964 15.706 -12.462 1.00 0.00 C ATOM 0 H LEU A 48 -10.143 18.249 -10.559 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.341 15.488 -11.153 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.505 17.037 -9.276 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.292 15.341 -9.664 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.106 17.662 -11.623 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.696 17.058 -11.737 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.184 17.544 -10.096 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.958 15.822 -10.484 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.332 16.016 -13.294 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.686 14.699 -12.151 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.007 15.713 -12.777 1.00 0.00 H new ATOM 785 N VAL A 49 -11.295 16.401 -8.133 1.00 0.00 N ATOM 786 CA VAL A 49 -12.011 15.943 -6.924 1.00 0.00 C ATOM 787 C VAL A 49 -13.387 15.365 -7.328 1.00 0.00 C ATOM 788 O VAL A 49 -13.787 14.287 -6.859 1.00 0.00 O ATOM 789 CB VAL A 49 -12.172 17.095 -5.857 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.983 16.615 -4.631 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.794 17.634 -5.402 1.00 0.00 C ATOM 0 H VAL A 49 -11.170 17.412 -8.185 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.416 15.162 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.720 17.905 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.076 17.431 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.975 16.299 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.470 15.776 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.938 18.426 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.216 16.825 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.256 18.031 -6.263 1.00 0.00 H new ATOM 801 N ASP A 50 -14.078 16.076 -8.244 1.00 0.00 N ATOM 802 CA ASP A 50 -15.358 15.623 -8.834 1.00 0.00 C ATOM 803 C ASP A 50 -15.160 14.396 -9.742 1.00 0.00 C ATOM 804 O ASP A 50 -16.039 13.536 -9.830 1.00 0.00 O ATOM 805 CB ASP A 50 -16.032 16.781 -9.628 1.00 0.00 C ATOM 806 CG ASP A 50 -16.806 17.756 -8.728 1.00 0.00 C ATOM 807 OD1 ASP A 50 -17.904 17.387 -8.251 1.00 0.00 O ATOM 808 OD2 ASP A 50 -16.325 18.878 -8.472 1.00 0.00 O ATOM 0 H ASP A 50 -13.765 16.981 -8.596 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.013 15.328 -8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.267 17.331 -10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.713 16.359 -10.367 1.00 0.00 H new ATOM 813 N ALA A 51 -13.987 14.317 -10.390 1.00 0.00 N ATOM 814 CA ALA A 51 -13.631 13.224 -11.319 1.00 0.00 C ATOM 815 C ALA A 51 -13.096 11.999 -10.552 1.00 0.00 C ATOM 816 O ALA A 51 -12.744 10.984 -11.171 1.00 0.00 O ATOM 817 CB ALA A 51 -12.598 13.723 -12.349 1.00 0.00 C ATOM 0 H ALA A 51 -13.250 15.014 -10.285 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.531 12.913 -11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.341 12.911 -13.030 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.021 14.552 -12.916 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.700 14.059 -11.830 1.00 0.00 H new ATOM 823 N LYS A 52 -13.024 12.129 -9.201 1.00 0.00 N ATOM 824 CA LYS A 52 -12.619 11.047 -8.265 1.00 0.00 C ATOM 825 C LYS A 52 -11.168 10.592 -8.520 1.00 0.00 C ATOM 826 O LYS A 52 -10.797 9.441 -8.265 1.00 0.00 O ATOM 827 CB LYS A 52 -13.646 9.872 -8.311 1.00 0.00 C ATOM 828 CG LYS A 52 -15.100 10.326 -8.039 1.00 0.00 C ATOM 829 CD LYS A 52 -15.244 11.083 -6.695 1.00 0.00 C ATOM 830 CE LYS A 52 -16.630 11.711 -6.506 1.00 0.00 C ATOM 831 NZ LYS A 52 -17.707 10.694 -6.513 1.00 0.00 N ATOM 0 H LYS A 52 -13.249 13.002 -8.725 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.632 11.441 -7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.598 9.393 -9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.362 9.120 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.434 10.970 -8.852 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.754 9.454 -8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.049 10.394 -5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.487 11.865 -6.642 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.654 12.258 -5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.811 12.436 -7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.621 11.155 -6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.734 10.224 -7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.523 9.988 -5.772 1.00 0.00 H new ATOM 845 N GLN A 53 -10.368 11.541 -9.018 1.00 0.00 N ATOM 846 CA GLN A 53 -8.930 11.390 -9.230 1.00 0.00 C ATOM 847 C GLN A 53 -8.176 11.642 -7.911 1.00 0.00 C ATOM 848 O GLN A 53 -7.255 10.897 -7.556 1.00 0.00 O ATOM 849 CB GLN A 53 -8.473 12.384 -10.326 1.00 0.00 C ATOM 850 CG GLN A 53 -9.090 12.140 -11.720 1.00 0.00 C ATOM 851 CD GLN A 53 -8.714 10.785 -12.336 1.00 0.00 C ATOM 852 OE1 GLN A 53 -7.630 10.245 -12.099 1.00 0.00 O ATOM 853 NE2 GLN A 53 -9.604 10.229 -13.136 1.00 0.00 N ATOM 0 H GLN A 53 -10.716 12.460 -9.291 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.707 10.375 -9.558 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.722 13.396 -10.006 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.387 12.335 -10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.175 12.205 -11.643 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.770 12.936 -12.393 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.492 10.697 -13.314 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.404 9.331 -13.576 1.00 0.00 H new ATOM 862 N ILE A 54 -8.587 12.713 -7.192 1.00 0.00 N ATOM 863 CA ILE A 54 -8.009 13.087 -5.881 1.00 0.00 C ATOM 864 C ILE A 54 -9.118 13.353 -4.852 1.00 0.00 C ATOM 865 O ILE A 54 -10.296 13.513 -5.202 1.00 0.00 O ATOM 866 CB ILE A 54 -7.082 14.368 -5.966 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.858 15.591 -6.561 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.801 14.071 -6.763 1.00 0.00 C ATOM 869 CD1 ILE A 54 -7.058 16.880 -6.674 1.00 0.00 C ATOM 0 H ILE A 54 -9.328 13.341 -7.505 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.398 12.240 -5.569 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.784 14.634 -4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.222 15.321 -7.552 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.734 15.780 -5.941 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.183 14.968 -6.806 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.246 13.270 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.065 13.764 -7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.687 17.663 -7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.716 17.184 -5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.196 16.718 -7.321 1.00 0.00 H new ATOM 881 N ALA A 55 -8.700 13.397 -3.581 1.00 0.00 N ATOM 882 CA ALA A 55 -9.533 13.794 -2.440 1.00 0.00 C ATOM 883 C ALA A 55 -9.347 15.310 -2.186 1.00 0.00 C ATOM 884 O ALA A 55 -8.291 15.859 -2.528 1.00 0.00 O ATOM 885 CB ALA A 55 -9.136 12.965 -1.198 1.00 0.00 C ATOM 0 H ALA A 55 -7.748 13.151 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.585 13.602 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.755 13.260 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.285 11.905 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.087 13.144 -0.961 1.00 0.00 H new ATOM 891 N PRO A 56 -10.365 16.026 -1.614 1.00 0.00 N ATOM 892 CA PRO A 56 -10.241 17.472 -1.328 1.00 0.00 C ATOM 893 C PRO A 56 -9.380 17.787 -0.079 1.00 0.00 C ATOM 894 O PRO A 56 -9.048 16.908 0.729 1.00 0.00 O ATOM 895 CB PRO A 56 -11.714 17.910 -1.137 1.00 0.00 C ATOM 896 CG PRO A 56 -12.392 16.693 -0.579 1.00 0.00 C ATOM 897 CD PRO A 56 -11.714 15.503 -1.234 1.00 0.00 C ATOM 0 HA PRO A 56 -9.722 18.004 -2.125 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.792 18.757 -0.455 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.163 18.218 -2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.291 16.652 0.506 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.459 16.705 -0.799 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.637 14.659 -0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.269 15.156 -2.106 1.00 0.00 H new ATOM 905 N LEU A 57 -8.997 19.063 0.020 1.00 0.00 N ATOM 906 CA LEU A 57 -8.274 19.649 1.157 1.00 0.00 C ATOM 907 C LEU A 57 -9.279 20.314 2.122 1.00 0.00 C ATOM 908 O LEU A 57 -10.383 20.671 1.696 1.00 0.00 O ATOM 909 CB LEU A 57 -7.288 20.721 0.608 1.00 0.00 C ATOM 910 CG LEU A 57 -6.081 20.176 -0.225 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.467 21.276 -1.115 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.005 19.547 0.702 1.00 0.00 C ATOM 0 H LEU A 57 -9.188 19.743 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.727 18.875 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.849 21.418 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.896 21.291 1.450 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.461 19.394 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.631 20.863 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.223 21.649 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.112 22.095 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.177 19.176 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.638 20.302 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.445 18.721 1.262 1.00 0.00 H new ATOM 924 N PRO A 58 -8.925 20.495 3.437 1.00 0.00 N ATOM 925 CA PRO A 58 -9.716 21.354 4.355 1.00 0.00 C ATOM 926 C PRO A 58 -9.604 22.844 3.959 1.00 0.00 C ATOM 927 O PRO A 58 -8.707 23.223 3.197 1.00 0.00 O ATOM 928 CB PRO A 58 -9.078 21.086 5.742 1.00 0.00 C ATOM 929 CG PRO A 58 -7.676 20.654 5.434 1.00 0.00 C ATOM 930 CD PRO A 58 -7.767 19.865 4.141 1.00 0.00 C ATOM 0 HA PRO A 58 -10.783 21.131 4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.090 21.981 6.364 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.621 20.313 6.286 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.016 21.514 5.323 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.269 20.042 6.239 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.850 19.942 3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.938 18.805 4.327 1.00 0.00 H new ATOM 938 N ASP A 59 -10.504 23.674 4.510 1.00 0.00 N ATOM 939 CA ASP A 59 -10.552 25.132 4.236 1.00 0.00 C ATOM 940 C ASP A 59 -9.248 25.830 4.684 1.00 0.00 C ATOM 941 O ASP A 59 -8.832 26.831 4.088 1.00 0.00 O ATOM 942 CB ASP A 59 -11.766 25.769 4.955 1.00 0.00 C ATOM 943 CG ASP A 59 -13.105 25.155 4.514 1.00 0.00 C ATOM 944 OD1 ASP A 59 -13.512 24.107 5.083 1.00 0.00 O ATOM 945 OD2 ASP A 59 -13.746 25.686 3.581 1.00 0.00 O ATOM 0 H ASP A 59 -11.224 23.359 5.161 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.657 25.269 3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.651 25.645 6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.779 26.841 4.757 1.00 0.00 H new ATOM 950 N SER A 60 -8.622 25.270 5.740 1.00 0.00 N ATOM 951 CA SER A 60 -7.345 25.757 6.293 1.00 0.00 C ATOM 952 C SER A 60 -6.164 25.481 5.331 1.00 0.00 C ATOM 953 O SER A 60 -5.207 26.267 5.258 1.00 0.00 O ATOM 954 CB SER A 60 -7.091 25.084 7.660 1.00 0.00 C ATOM 955 OG SER A 60 -8.164 25.330 8.548 1.00 0.00 O ATOM 0 H SER A 60 -8.994 24.460 6.236 1.00 0.00 H new ATOM 0 HA SER A 60 -7.415 26.837 6.421 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.965 24.010 7.524 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.163 25.462 8.090 1.00 0.00 H new ATOM 0 HG SER A 60 -7.984 24.894 9.407 1.00 0.00 H new ATOM 961 N LYS A 61 -6.246 24.354 4.593 1.00 0.00 N ATOM 962 CA LYS A 61 -5.215 23.929 3.616 1.00 0.00 C ATOM 963 C LYS A 61 -5.705 24.129 2.176 1.00 0.00 C ATOM 964 O LYS A 61 -5.147 23.556 1.241 1.00 0.00 O ATOM 965 CB LYS A 61 -4.776 22.442 3.890 1.00 0.00 C ATOM 966 CG LYS A 61 -3.374 22.314 4.534 1.00 0.00 C ATOM 967 CD LYS A 61 -3.231 23.108 5.862 1.00 0.00 C ATOM 968 CE LYS A 61 -1.764 23.306 6.259 1.00 0.00 C ATOM 969 NZ LYS A 61 -1.623 24.111 7.495 1.00 0.00 N ATOM 0 H LYS A 61 -7.033 23.708 4.657 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.335 24.560 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.510 21.971 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.786 21.891 2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.164 21.261 4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.623 22.666 3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.712 24.080 5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.754 22.579 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.294 22.333 6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.232 23.798 5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.615 24.219 7.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.047 25.049 7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.108 23.630 8.280 1.00 0.00 H new ATOM 983 N LEU A 62 -6.714 24.989 2.001 1.00 0.00 N ATOM 984 CA LEU A 62 -7.208 25.375 0.669 1.00 0.00 C ATOM 985 C LEU A 62 -6.407 26.613 0.234 1.00 0.00 C ATOM 986 O LEU A 62 -6.889 27.748 0.253 1.00 0.00 O ATOM 987 CB LEU A 62 -8.757 25.612 0.685 1.00 0.00 C ATOM 988 CG LEU A 62 -9.529 25.234 -0.623 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.135 26.119 -1.825 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.340 23.733 -0.942 1.00 0.00 C ATOM 0 H LEU A 62 -7.211 25.436 2.772 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.056 24.577 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.182 25.041 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.940 26.665 0.898 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.587 25.424 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.701 25.812 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.356 27.162 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.069 26.009 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.882 23.484 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.280 23.521 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.725 23.134 -0.116 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.141 26.349 -0.070 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.125 27.352 -0.419 1.00 0.00 C ATOM 1004 C ASP A 63 -3.485 26.947 -1.748 1.00 0.00 C ATOM 1005 O ASP A 63 -3.345 25.757 -2.001 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.063 27.418 0.719 1.00 0.00 C ATOM 1007 CG ASP A 63 -1.737 28.091 0.317 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -1.652 29.339 0.340 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -0.779 27.369 -0.043 1.00 0.00 O ATOM 0 H ASP A 63 -4.774 25.397 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.572 28.340 -0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.488 27.958 1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.852 26.405 1.061 1.00 0.00 H new ATOM 1014 N GLY A 64 -3.048 27.949 -2.544 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.510 27.731 -3.895 1.00 0.00 C ATOM 1016 C GLY A 64 -1.425 26.653 -3.989 1.00 0.00 C ATOM 1017 O GLY A 64 -1.506 25.773 -4.843 1.00 0.00 O ATOM 0 H GLY A 64 -3.061 28.929 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.331 27.459 -4.558 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.101 28.671 -4.264 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.450 26.689 -3.058 1.00 0.00 N ATOM 1022 CA ALA A 65 0.673 25.724 -3.023 1.00 0.00 C ATOM 1023 C ALA A 65 0.197 24.306 -2.619 1.00 0.00 C ATOM 1024 O ALA A 65 0.727 23.302 -3.109 1.00 0.00 O ATOM 1025 CB ALA A 65 1.763 26.222 -2.063 1.00 0.00 C ATOM 0 H ALA A 65 -0.417 27.383 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 65 1.088 25.653 -4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.585 25.506 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.132 27.190 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.346 26.324 -1.061 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.807 24.240 -1.725 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.408 22.958 -1.276 1.00 0.00 C ATOM 1033 C ASN A 66 -2.242 22.309 -2.395 1.00 0.00 C ATOM 1034 O ASN A 66 -2.291 21.073 -2.513 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.277 23.175 -0.015 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.436 23.470 1.227 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -1.098 22.564 1.986 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -1.054 24.721 1.419 1.00 0.00 N ATOM 0 H ASN A 66 -1.226 25.064 -1.293 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.592 22.279 -1.026 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.966 24.002 -0.189 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.884 22.287 0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.462 24.957 2.215 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.351 25.450 0.771 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.905 23.162 -3.198 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.636 22.746 -4.403 1.00 0.00 C ATOM 1047 C ILE A 67 -2.649 22.101 -5.397 1.00 0.00 C ATOM 1048 O ILE A 67 -2.907 21.024 -5.941 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.360 23.968 -5.098 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.409 24.647 -4.152 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -5.019 23.539 -6.423 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.579 23.770 -3.766 1.00 0.00 C ATOM 0 H ILE A 67 -2.947 24.166 -3.025 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.401 22.028 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.592 24.710 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.901 24.971 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.791 25.543 -4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.510 24.398 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.257 23.154 -7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.757 22.761 -6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.250 24.326 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.118 23.466 -4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.214 22.885 -3.245 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.496 22.774 -5.575 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.400 22.312 -6.440 1.00 0.00 C ATOM 1066 C LYS A 68 0.128 20.939 -5.999 1.00 0.00 C ATOM 1067 O LYS A 68 0.484 20.114 -6.836 1.00 0.00 O ATOM 1068 CB LYS A 68 0.753 23.342 -6.423 1.00 0.00 C ATOM 1069 CG LYS A 68 0.412 24.685 -7.085 1.00 0.00 C ATOM 1070 CD LYS A 68 1.610 25.647 -7.110 1.00 0.00 C ATOM 1071 CE LYS A 68 1.260 27.017 -7.710 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.468 27.867 -7.855 1.00 0.00 N ATOM 0 H LYS A 68 -1.300 23.663 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.793 22.214 -7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.046 23.524 -5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.617 22.911 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.071 24.508 -8.105 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.414 25.152 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.981 25.784 -6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.419 25.198 -7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.790 26.880 -8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.533 27.520 -7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.199 28.785 -8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.902 28.016 -6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.151 27.396 -8.483 1.00 0.00 H new ATOM 1086 N HIS A 69 0.158 20.721 -4.673 1.00 0.00 N ATOM 1087 CA HIS A 69 0.644 19.470 -4.068 1.00 0.00 C ATOM 1088 C HIS A 69 -0.313 18.298 -4.387 1.00 0.00 C ATOM 1089 O HIS A 69 0.138 17.180 -4.664 1.00 0.00 O ATOM 1090 CB HIS A 69 0.824 19.665 -2.539 1.00 0.00 C ATOM 1091 CG HIS A 69 1.574 18.556 -1.848 1.00 0.00 C ATOM 1092 ND1 HIS A 69 2.882 18.243 -2.141 1.00 0.00 N ATOM 1093 CD2 HIS A 69 1.205 17.706 -0.866 1.00 0.00 C ATOM 1094 CE1 HIS A 69 3.283 17.252 -1.375 1.00 0.00 C ATOM 1095 NE2 HIS A 69 2.284 16.908 -0.590 1.00 0.00 N ATOM 0 H HIS A 69 -0.155 21.410 -3.989 1.00 0.00 H new ATOM 0 HA HIS A 69 1.614 19.217 -4.496 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.350 20.604 -2.365 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.160 19.761 -2.080 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.454 18.709 -2.846 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.238 17.663 -0.387 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.263 16.799 -1.388 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.637 18.589 -4.360 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.696 17.642 -4.801 1.00 0.00 C ATOM 1106 C ARG A 70 -2.471 17.229 -6.265 1.00 0.00 C ATOM 1107 O ARG A 70 -2.425 16.037 -6.588 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.118 18.276 -4.653 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.729 18.219 -3.242 1.00 0.00 C ATOM 1110 CD ARG A 70 -5.036 16.777 -2.793 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.776 16.739 -1.516 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.361 16.149 -0.383 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.164 15.570 -0.314 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.140 16.168 0.683 1.00 0.00 N ATOM 0 H ARG A 70 -2.002 19.484 -4.033 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.638 16.761 -4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.065 19.319 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.794 17.771 -5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.041 18.679 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.647 18.806 -3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.619 16.274 -3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.103 16.224 -2.687 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.684 17.203 -1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.549 15.571 -1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.862 15.126 0.553 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.049 16.628 0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.832 15.722 1.547 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.310 18.251 -7.125 1.00 0.00 N ATOM 1129 CA LEU A 71 -2.162 18.081 -8.581 1.00 0.00 C ATOM 1130 C LEU A 71 -0.883 17.306 -8.940 1.00 0.00 C ATOM 1131 O LEU A 71 -0.878 16.480 -9.859 1.00 0.00 O ATOM 1132 CB LEU A 71 -2.136 19.462 -9.284 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.370 20.389 -9.063 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.285 21.637 -9.959 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.701 19.636 -9.260 1.00 0.00 C ATOM 0 H LEU A 71 -2.279 19.226 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.020 17.504 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.246 19.996 -8.950 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.024 19.295 -10.355 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.350 20.720 -8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.157 22.268 -9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.380 22.195 -9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.258 21.333 -11.005 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.534 20.320 -9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.749 19.242 -10.275 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.762 18.813 -8.548 1.00 0.00 H new ATOM 1147 N ALA A 72 0.186 17.598 -8.188 1.00 0.00 N ATOM 1148 CA ALA A 72 1.522 17.041 -8.422 1.00 0.00 C ATOM 1149 C ALA A 72 1.570 15.551 -8.082 1.00 0.00 C ATOM 1150 O ALA A 72 2.050 14.753 -8.880 1.00 0.00 O ATOM 1151 CB ALA A 72 2.560 17.804 -7.605 1.00 0.00 C ATOM 0 H ALA A 72 0.146 18.234 -7.392 1.00 0.00 H new ATOM 0 HA ALA A 72 1.752 17.150 -9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.548 17.382 -7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.554 18.854 -7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.320 17.723 -6.545 1.00 0.00 H new ATOM 1157 N LEU A 73 1.077 15.192 -6.881 1.00 0.00 N ATOM 1158 CA LEU A 73 1.011 13.787 -6.421 1.00 0.00 C ATOM 1159 C LEU A 73 0.085 12.959 -7.326 1.00 0.00 C ATOM 1160 O LEU A 73 0.366 11.776 -7.613 1.00 0.00 O ATOM 1161 CB LEU A 73 0.539 13.727 -4.950 1.00 0.00 C ATOM 1162 CG LEU A 73 1.556 14.276 -3.899 1.00 0.00 C ATOM 1163 CD1 LEU A 73 0.894 14.448 -2.522 1.00 0.00 C ATOM 1164 CD2 LEU A 73 2.806 13.365 -3.803 1.00 0.00 C ATOM 0 H LEU A 73 0.714 15.863 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 73 2.011 13.356 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.390 14.290 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.309 12.691 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 73 1.883 15.259 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.626 14.831 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.064 15.150 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.521 13.484 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.497 13.771 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.503 12.362 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.299 13.320 -4.774 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.002 13.616 -7.785 1.00 0.00 N ATOM 1177 CA TRP A 74 -1.950 13.030 -8.736 1.00 0.00 C ATOM 1178 C TRP A 74 -1.231 12.595 -10.019 1.00 0.00 C ATOM 1179 O TRP A 74 -1.245 11.420 -10.358 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.088 14.021 -9.094 1.00 0.00 C ATOM 1181 CG TRP A 74 -3.976 13.510 -10.206 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.829 12.450 -10.147 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.050 14.010 -11.548 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.417 12.257 -11.367 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -4.962 13.204 -12.237 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.427 15.062 -12.224 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.283 13.418 -13.569 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.744 15.276 -13.549 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.661 14.453 -14.210 1.00 0.00 C ATOM 0 H TRP A 74 -1.240 14.567 -7.502 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.391 12.158 -8.253 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.694 14.208 -8.207 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.653 14.976 -9.391 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.014 11.851 -9.268 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.088 11.522 -11.590 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.712 15.695 -11.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.998 12.791 -14.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.278 16.090 -14.083 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.883 14.639 -15.250 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.603 13.565 -10.710 1.00 0.00 N ATOM 1201 CA ILE A 75 0.051 13.345 -12.012 1.00 0.00 C ATOM 1202 C ILE A 75 1.323 12.481 -11.838 1.00 0.00 C ATOM 1203 O ILE A 75 1.747 11.797 -12.767 1.00 0.00 O ATOM 1204 CB ILE A 75 0.366 14.717 -12.734 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.693 14.507 -14.247 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.499 15.482 -12.026 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.428 13.871 -15.054 1.00 0.00 C ATOM 0 H ILE A 75 -0.535 14.527 -10.379 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.638 12.798 -12.656 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.535 15.327 -12.671 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.939 15.472 -14.689 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.582 13.882 -14.330 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.688 16.419 -12.550 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.208 15.694 -10.997 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.405 14.876 -12.029 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.113 13.764 -16.092 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.661 12.889 -14.642 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.314 14.504 -15.007 1.00 0.00 H new ATOM 1219 N HIS A 76 1.886 12.488 -10.612 1.00 0.00 N ATOM 1220 CA HIS A 76 3.040 11.638 -10.248 1.00 0.00 C ATOM 1221 C HIS A 76 2.613 10.163 -10.194 1.00 0.00 C ATOM 1222 O HIS A 76 3.439 9.270 -10.351 1.00 0.00 O ATOM 1223 CB HIS A 76 3.639 12.064 -8.878 1.00 0.00 C ATOM 1224 CG HIS A 76 5.024 11.537 -8.625 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.422 10.995 -7.422 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.110 11.485 -9.439 1.00 0.00 C ATOM 1227 CE1 HIS A 76 6.686 10.639 -7.508 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.123 10.924 -8.717 1.00 0.00 N ATOM 0 H HIS A 76 1.556 13.080 -9.850 1.00 0.00 H new ATOM 0 HA HIS A 76 3.807 11.765 -11.012 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.660 13.153 -8.825 1.00 0.00 H new ATOM 0 HB3 HIS A 76 2.979 11.719 -8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.162 11.823 -10.463 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.268 10.188 -6.718 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.068 10.753 -9.059 1.00 0.00 H new ATOM 1237 N ALA A 77 1.322 9.934 -9.903 1.00 0.00 N ATOM 1238 CA ALA A 77 0.694 8.603 -9.994 1.00 0.00 C ATOM 1239 C ALA A 77 0.119 8.351 -11.409 1.00 0.00 C ATOM 1240 O ALA A 77 0.239 7.245 -11.940 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.411 8.478 -8.929 1.00 0.00 C ATOM 0 H ALA A 77 0.682 10.667 -9.597 1.00 0.00 H new ATOM 0 HA ALA A 77 1.456 7.846 -9.809 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.874 7.493 -8.998 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.023 8.606 -7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.166 9.246 -9.096 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.463 9.406 -12.015 1.00 0.00 N ATOM 1248 CA ALA A 78 -1.299 9.309 -13.240 1.00 0.00 C ATOM 1249 C ALA A 78 -0.462 9.021 -14.497 1.00 0.00 C ATOM 1250 O ALA A 78 -0.946 8.363 -15.431 1.00 0.00 O ATOM 1251 CB ALA A 78 -2.128 10.595 -13.428 1.00 0.00 C ATOM 0 H ALA A 78 -0.368 10.361 -11.668 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.974 8.464 -13.103 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.735 10.508 -14.329 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.778 10.738 -12.565 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.458 11.449 -13.523 1.00 0.00 H new ATOM 1257 N LEU A 79 0.778 9.540 -14.525 1.00 0.00 N ATOM 1258 CA LEU A 79 1.765 9.190 -15.559 1.00 0.00 C ATOM 1259 C LEU A 79 2.214 7.733 -15.339 1.00 0.00 C ATOM 1260 O LEU A 79 2.710 7.420 -14.256 1.00 0.00 O ATOM 1261 CB LEU A 79 2.989 10.149 -15.510 1.00 0.00 C ATOM 1262 CG LEU A 79 2.690 11.646 -15.846 1.00 0.00 C ATOM 1263 CD1 LEU A 79 3.939 12.535 -15.642 1.00 0.00 C ATOM 1264 CD2 LEU A 79 2.114 11.801 -17.277 1.00 0.00 C ATOM 0 H LEU A 79 1.122 10.209 -13.836 1.00 0.00 H new ATOM 0 HA LEU A 79 1.308 9.293 -16.543 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.426 10.100 -14.513 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.743 9.783 -16.207 1.00 0.00 H new ATOM 0 HG LEU A 79 1.928 11.990 -15.146 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.693 13.569 -15.885 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.263 12.474 -14.603 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.742 12.190 -16.294 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.917 12.854 -17.478 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.834 11.421 -18.002 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.185 11.237 -17.358 1.00 0.00 H new ATOM 1276 N PRO A 80 2.024 6.809 -16.347 1.00 0.00 N ATOM 1277 CA PRO A 80 2.407 5.371 -16.218 1.00 0.00 C ATOM 1278 C PRO A 80 3.920 5.145 -15.956 1.00 0.00 C ATOM 1279 O PRO A 80 4.332 4.043 -15.582 1.00 0.00 O ATOM 1280 CB PRO A 80 1.945 4.748 -17.565 1.00 0.00 C ATOM 1281 CG PRO A 80 0.900 5.695 -18.079 1.00 0.00 C ATOM 1282 CD PRO A 80 1.379 7.070 -17.666 1.00 0.00 C ATOM 0 HA PRO A 80 1.940 4.909 -15.348 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.775 4.656 -18.265 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.537 3.748 -17.420 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.799 5.621 -19.162 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.078 5.473 -17.652 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.083 7.487 -18.386 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.554 7.778 -17.581 1.00 0.00 H new ATOM 1290 N ASP A 81 4.731 6.201 -16.160 1.00 0.00 N ATOM 1291 CA ASP A 81 6.175 6.191 -15.839 1.00 0.00 C ATOM 1292 C ASP A 81 6.408 6.506 -14.348 1.00 0.00 C ATOM 1293 O ASP A 81 7.299 5.918 -13.717 1.00 0.00 O ATOM 1294 CB ASP A 81 6.944 7.230 -16.695 1.00 0.00 C ATOM 1295 CG ASP A 81 6.756 7.031 -18.206 1.00 0.00 C ATOM 1296 OD1 ASP A 81 7.398 6.128 -18.784 1.00 0.00 O ATOM 1297 OD2 ASP A 81 5.962 7.776 -18.823 1.00 0.00 O ATOM 0 H ASP A 81 4.406 7.085 -16.551 1.00 0.00 H new ATOM 0 HA ASP A 81 6.548 5.192 -16.064 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.611 8.232 -16.423 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.006 7.172 -16.457 1.00 0.00 H new ATOM 1302 N ASN A 82 5.590 7.452 -13.822 1.00 0.00 N ATOM 1303 CA ASN A 82 5.715 8.016 -12.451 1.00 0.00 C ATOM 1304 C ASN A 82 7.018 8.827 -12.303 1.00 0.00 C ATOM 1305 O ASN A 82 7.571 8.968 -11.204 1.00 0.00 O ATOM 1306 CB ASN A 82 5.604 6.906 -11.358 1.00 0.00 C ATOM 1307 CG ASN A 82 4.270 6.152 -11.354 1.00 0.00 C ATOM 1308 OD1 ASN A 82 4.225 4.964 -11.066 1.00 0.00 O ATOM 1309 ND2 ASN A 82 3.167 6.832 -11.624 1.00 0.00 N ATOM 0 H ASN A 82 4.812 7.852 -14.346 1.00 0.00 H new ATOM 0 HA ASN A 82 4.879 8.699 -12.299 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.412 6.189 -11.502 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.753 7.361 -10.379 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.260 6.366 -11.594 1.00 0.00 H new ATOM 0 HD22 ASN A 82 3.224 7.822 -11.862 1.00 0.00 H new ATOM 1316 N ASP A 83 7.447 9.408 -13.430 1.00 0.00 N ATOM 1317 CA ASP A 83 8.702 10.171 -13.550 1.00 0.00 C ATOM 1318 C ASP A 83 8.618 11.531 -12.796 1.00 0.00 C ATOM 1319 O ASP A 83 7.510 12.009 -12.518 1.00 0.00 O ATOM 1320 CB ASP A 83 9.022 10.379 -15.061 1.00 0.00 C ATOM 1321 CG ASP A 83 7.955 11.194 -15.818 1.00 0.00 C ATOM 1322 OD1 ASP A 83 6.870 10.640 -16.117 1.00 0.00 O ATOM 1323 OD2 ASP A 83 8.199 12.382 -16.127 1.00 0.00 O ATOM 0 H ASP A 83 6.923 9.362 -14.304 1.00 0.00 H new ATOM 0 HA ASP A 83 9.510 9.607 -13.084 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.984 10.884 -15.153 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.127 9.404 -15.538 1.00 0.00 H new ATOM 1328 N PRO A 84 9.791 12.172 -12.438 1.00 0.00 N ATOM 1329 CA PRO A 84 9.813 13.496 -11.756 1.00 0.00 C ATOM 1330 C PRO A 84 9.763 14.691 -12.733 1.00 0.00 C ATOM 1331 O PRO A 84 9.949 15.843 -12.310 1.00 0.00 O ATOM 1332 CB PRO A 84 11.158 13.443 -11.005 1.00 0.00 C ATOM 1333 CG PRO A 84 12.064 12.695 -11.946 1.00 0.00 C ATOM 1334 CD PRO A 84 11.186 11.659 -12.640 1.00 0.00 C ATOM 0 HA PRO A 84 8.942 13.654 -11.120 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.538 14.442 -10.793 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.062 12.929 -10.048 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.517 13.371 -12.671 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.879 12.216 -11.404 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.430 11.573 -13.699 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.315 10.669 -12.202 1.00 0.00 H new ATOM 1342 N LEU A 85 9.515 14.389 -14.037 1.00 0.00 N ATOM 1343 CA LEU A 85 9.433 15.390 -15.119 1.00 0.00 C ATOM 1344 C LEU A 85 10.740 16.180 -15.244 1.00 0.00 C ATOM 1345 O LEU A 85 10.725 17.385 -15.491 1.00 0.00 O ATOM 1346 CB LEU A 85 8.211 16.339 -14.930 1.00 0.00 C ATOM 1347 CG LEU A 85 6.818 15.695 -15.175 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.430 14.679 -14.087 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.754 16.778 -15.347 1.00 0.00 C ATOM 0 H LEU A 85 9.366 13.434 -14.362 1.00 0.00 H new ATOM 0 HA LEU A 85 9.282 14.850 -16.054 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.235 16.735 -13.915 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.324 17.187 -15.606 1.00 0.00 H new ATOM 0 HG LEU A 85 6.882 15.125 -16.102 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.448 14.263 -14.312 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.167 13.876 -14.059 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.400 15.177 -13.118 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.784 16.311 -15.518 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.709 17.390 -14.446 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.009 17.407 -16.200 1.00 0.00 H new ATOM 1361 N LYS A 86 11.869 15.484 -15.100 1.00 0.00 N ATOM 1362 CA LYS A 86 13.183 16.127 -15.068 1.00 0.00 C ATOM 1363 C LYS A 86 13.668 16.441 -16.512 1.00 0.00 C ATOM 1364 O LYS A 86 13.451 17.582 -16.981 1.00 0.00 O ATOM 1365 CB LYS A 86 14.198 15.249 -14.279 1.00 0.00 C ATOM 1366 CG LYS A 86 15.484 16.006 -13.885 1.00 0.00 C ATOM 1367 CD LYS A 86 15.171 17.242 -13.001 1.00 0.00 C ATOM 1368 CE LYS A 86 16.410 18.075 -12.653 1.00 0.00 C ATOM 1369 NZ LYS A 86 16.061 19.229 -11.786 1.00 0.00 N ATOM 1370 OXT LYS A 86 14.219 15.541 -17.182 1.00 0.00 O ATOM 0 H LYS A 86 11.899 14.469 -15.003 1.00 0.00 H new ATOM 0 HA LYS A 86 13.105 17.078 -14.542 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.716 14.871 -13.377 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.466 14.383 -14.884 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.153 15.333 -13.348 1.00 0.00 H new ATOM 0 HG3 LYS A 86 16.009 16.325 -14.785 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.451 17.876 -13.518 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.697 16.908 -12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.143 17.446 -12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.878 18.435 -13.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.605 20.064 -12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.044 19.431 -11.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.289 19.002 -10.797 1.00 0.00 H new TER 1384 LYS A 86