USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 723 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 92 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 93 SER OG : rot 29:sc= 0.464 USER MOD Set 2.1: A 16 LYS NZ :NH3+ -130:sc= 0.197 (180deg=-0.00359) USER MOD Set 2.2: A 70 GLN : amide:sc= 0.143 K(o=0.34,f=-2.9!) USER MOD Set 3.1: A 49 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.86!) USER MOD Set 3.2: A 61 CYS SG : rot 170:sc= 0 USER MOD Set 4.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 9:sc= 0.0512 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -3.02! C(o=-3!,f=-3.7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -156:sc= -1.2 (180deg=-2.47) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.156 K(o=-0.16,f=-2.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0893 K(o=-0.089,f=-1.9!) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0525) USER MOD Single : A 45 HIS : no HD1:sc= -5.51! C(o=-5.5!,f=-9.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 3:sc= 1.03 USER MOD Single : A 57 THR OG1 : rot -160:sc= -1.02 USER MOD Single : A 58 MET CE :methyl 167:sc= 0 (180deg=-0.044) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0543 X(o=-0.054,f=-0.057) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.062 K(o=-0.062,f=-1.5) USER MOD Single : A 80 THR OG1 : rot 83:sc= -0.629 USER MOD Single : A 81 LYS NZ :NH3+ -160:sc= 0.578 (180deg=0.376) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.237) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.458 USER MOD Single : A 87 GLN : amide:sc= -2.23 K(o=-2.2,f=-3.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.204 20.577 10.956 1.00 0.00 N ATOM 2 CA GLY A 1 10.937 21.152 11.369 1.00 0.00 C ATOM 3 C GLY A 1 9.841 20.935 10.345 1.00 0.00 C ATOM 4 O GLY A 1 9.618 21.778 9.476 1.00 0.00 O ATOM 0 H1 GLY A 1 12.920 20.752 11.689 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.092 19.552 10.819 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.509 21.014 10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.634 20.712 12.319 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.065 22.221 11.539 1.00 0.00 H new ATOM 8 N SER A 2 9.155 19.801 10.446 1.00 0.00 N ATOM 9 CA SER A 2 8.080 19.473 9.517 1.00 0.00 C ATOM 10 C SER A 2 6.725 19.512 10.219 1.00 0.00 C ATOM 11 O SER A 2 6.234 18.492 10.701 1.00 0.00 O ATOM 12 CB SER A 2 8.310 18.090 8.905 1.00 0.00 C ATOM 13 OG SER A 2 9.600 17.997 8.327 1.00 0.00 O ATOM 0 H SER A 2 9.324 19.094 11.162 1.00 0.00 H new ATOM 0 HA SER A 2 8.080 20.219 8.722 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.196 17.325 9.673 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.553 17.894 8.146 1.00 0.00 H new ATOM 0 HG SER A 2 9.723 17.103 7.944 1.00 0.00 H new ATOM 19 N SER A 3 6.128 20.698 10.272 1.00 0.00 N ATOM 20 CA SER A 3 4.832 20.873 10.918 1.00 0.00 C ATOM 21 C SER A 3 3.813 21.453 9.943 1.00 0.00 C ATOM 22 O SER A 3 4.165 22.197 9.028 1.00 0.00 O ATOM 23 CB SER A 3 4.965 21.787 12.138 1.00 0.00 C ATOM 24 OG SER A 3 5.627 21.124 13.202 1.00 0.00 O ATOM 0 H SER A 3 6.521 21.552 9.876 1.00 0.00 H new ATOM 0 HA SER A 3 4.481 19.894 11.243 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.518 22.685 11.865 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.976 22.109 12.465 1.00 0.00 H new ATOM 0 HG SER A 3 5.701 21.729 13.969 1.00 0.00 H new ATOM 30 N GLY A 4 2.545 21.108 10.146 1.00 0.00 N ATOM 31 CA GLY A 4 1.493 21.602 9.277 1.00 0.00 C ATOM 32 C GLY A 4 1.721 21.237 7.824 1.00 0.00 C ATOM 33 O GLY A 4 2.400 21.960 7.095 1.00 0.00 O ATOM 0 H GLY A 4 2.228 20.495 10.897 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.536 21.196 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.428 22.686 9.370 1.00 0.00 H new ATOM 37 N SER A 5 1.153 20.112 7.402 1.00 0.00 N ATOM 38 CA SER A 5 1.303 19.649 6.027 1.00 0.00 C ATOM 39 C SER A 5 0.013 19.007 5.527 1.00 0.00 C ATOM 40 O SER A 5 -0.392 17.947 6.004 1.00 0.00 O ATOM 41 CB SER A 5 2.456 18.649 5.926 1.00 0.00 C ATOM 42 OG SER A 5 3.709 19.311 5.940 1.00 0.00 O ATOM 0 H SER A 5 0.585 19.504 7.992 1.00 0.00 H new ATOM 0 HA SER A 5 1.525 20.513 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.404 17.945 6.756 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.358 18.068 5.009 1.00 0.00 H new ATOM 0 HG SER A 5 3.576 20.258 6.155 1.00 0.00 H new ATOM 48 N SER A 6 -0.629 19.657 4.561 1.00 0.00 N ATOM 49 CA SER A 6 -1.875 19.153 3.997 1.00 0.00 C ATOM 50 C SER A 6 -1.603 18.070 2.958 1.00 0.00 C ATOM 51 O SER A 6 -2.227 18.039 1.898 1.00 0.00 O ATOM 52 CB SER A 6 -2.672 20.295 3.364 1.00 0.00 C ATOM 53 OG SER A 6 -1.916 20.948 2.358 1.00 0.00 O ATOM 0 H SER A 6 -0.306 20.534 4.153 1.00 0.00 H new ATOM 0 HA SER A 6 -2.460 18.716 4.806 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.594 19.904 2.934 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.958 21.013 4.133 1.00 0.00 H new ATOM 0 HG SER A 6 -2.448 21.673 1.968 1.00 0.00 H new ATOM 59 N GLY A 7 -0.664 17.182 3.270 1.00 0.00 N ATOM 60 CA GLY A 7 -0.324 16.109 2.354 1.00 0.00 C ATOM 61 C GLY A 7 -1.542 15.339 1.885 1.00 0.00 C ATOM 62 O GLY A 7 -2.098 15.630 0.826 1.00 0.00 O ATOM 0 H GLY A 7 -0.133 17.187 4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.195 16.524 1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.369 15.424 2.843 1.00 0.00 H new ATOM 66 N MET A 8 -1.957 14.353 2.673 1.00 0.00 N ATOM 67 CA MET A 8 -3.117 13.539 2.331 1.00 0.00 C ATOM 68 C MET A 8 -2.876 12.763 1.040 1.00 0.00 C ATOM 69 O MET A 8 -3.699 12.792 0.125 1.00 0.00 O ATOM 70 CB MET A 8 -4.360 14.419 2.187 1.00 0.00 C ATOM 71 CG MET A 8 -5.132 14.598 3.485 1.00 0.00 C ATOM 72 SD MET A 8 -6.454 15.815 3.344 1.00 0.00 S ATOM 73 CE MET A 8 -7.685 15.107 4.436 1.00 0.00 C ATOM 0 H MET A 8 -1.507 14.098 3.552 1.00 0.00 H new ATOM 0 HA MET A 8 -3.278 12.824 3.138 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.060 15.398 1.814 1.00 0.00 H new ATOM 0 HB3 MET A 8 -5.020 13.981 1.438 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.556 13.640 3.786 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.444 14.904 4.273 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.566 15.748 4.455 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.964 14.117 4.076 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.274 15.025 5.442 1.00 0.00 H new ATOM 83 N ALA A 9 -1.744 12.072 0.973 1.00 0.00 N ATOM 84 CA ALA A 9 -1.396 11.288 -0.206 1.00 0.00 C ATOM 85 C ALA A 9 -1.504 9.793 0.078 1.00 0.00 C ATOM 86 O ALA A 9 -0.772 9.254 0.909 1.00 0.00 O ATOM 87 CB ALA A 9 0.008 11.638 -0.677 1.00 0.00 C ATOM 0 H ALA A 9 -1.052 12.039 1.721 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.104 11.533 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.255 11.045 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.054 12.698 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.723 11.422 0.117 1.00 0.00 H new ATOM 93 N LEU A 10 -2.420 9.129 -0.617 1.00 0.00 N ATOM 94 CA LEU A 10 -2.624 7.695 -0.440 1.00 0.00 C ATOM 95 C LEU A 10 -1.517 6.899 -1.123 1.00 0.00 C ATOM 96 O LEU A 10 -1.068 5.876 -0.608 1.00 0.00 O ATOM 97 CB LEU A 10 -3.986 7.281 -0.999 1.00 0.00 C ATOM 98 CG LEU A 10 -5.209 7.847 -0.276 1.00 0.00 C ATOM 99 CD1 LEU A 10 -6.429 7.813 -1.184 1.00 0.00 C ATOM 100 CD2 LEU A 10 -5.476 7.073 1.007 1.00 0.00 C ATOM 0 H LEU A 10 -3.034 9.560 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.596 7.478 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.035 7.584 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.049 6.193 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.004 8.885 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.289 8.220 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.237 8.411 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.636 6.784 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.350 7.490 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.660 6.025 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.610 7.149 1.665 1.00 0.00 H new ATOM 112 N GLU A 11 -1.082 7.377 -2.284 1.00 0.00 N ATOM 113 CA GLU A 11 -0.026 6.710 -3.037 1.00 0.00 C ATOM 114 C GLU A 11 1.351 7.160 -2.558 1.00 0.00 C ATOM 115 O GLU A 11 1.759 8.298 -2.790 1.00 0.00 O ATOM 116 CB GLU A 11 -0.176 6.996 -4.533 1.00 0.00 C ATOM 117 CG GLU A 11 -1.358 6.287 -5.172 1.00 0.00 C ATOM 118 CD GLU A 11 -1.446 6.531 -6.666 1.00 0.00 C ATOM 119 OE1 GLU A 11 -0.637 5.942 -7.413 1.00 0.00 O ATOM 120 OE2 GLU A 11 -2.325 7.311 -7.089 1.00 0.00 O ATOM 0 H GLU A 11 -1.444 8.223 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.118 5.637 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.285 8.071 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.738 6.695 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.278 5.216 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.279 6.625 -4.698 1.00 0.00 H new ATOM 127 N GLN A 12 2.062 6.258 -1.889 1.00 0.00 N ATOM 128 CA GLN A 12 3.393 6.562 -1.376 1.00 0.00 C ATOM 129 C GLN A 12 4.275 5.318 -1.379 1.00 0.00 C ATOM 130 O GLN A 12 3.807 4.212 -1.654 1.00 0.00 O ATOM 131 CB GLN A 12 3.298 7.131 0.041 1.00 0.00 C ATOM 132 CG GLN A 12 2.539 8.446 0.119 1.00 0.00 C ATOM 133 CD GLN A 12 2.872 9.239 1.367 1.00 0.00 C ATOM 134 OE1 GLN A 12 2.193 9.126 2.388 1.00 0.00 O ATOM 135 NE2 GLN A 12 3.923 10.048 1.292 1.00 0.00 N ATOM 0 H GLN A 12 1.739 5.311 -1.690 1.00 0.00 H new ATOM 0 HA GLN A 12 3.846 7.307 -2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.809 6.400 0.685 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.304 7.278 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.769 9.047 -0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.468 8.245 0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.458 10.111 0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.195 10.607 2.101 1.00 0.00 H new ATOM 144 N THR A 13 5.555 5.505 -1.072 1.00 0.00 N ATOM 145 CA THR A 13 6.503 4.399 -1.041 1.00 0.00 C ATOM 146 C THR A 13 7.260 4.361 0.282 1.00 0.00 C ATOM 147 O THR A 13 7.228 3.360 0.999 1.00 0.00 O ATOM 148 CB THR A 13 7.516 4.494 -2.197 1.00 0.00 C ATOM 149 OG1 THR A 13 8.197 5.753 -2.149 1.00 0.00 O ATOM 150 CG2 THR A 13 6.819 4.340 -3.541 1.00 0.00 C ATOM 0 H THR A 13 5.959 6.413 -0.841 1.00 0.00 H new ATOM 0 HA THR A 13 5.923 3.483 -1.151 1.00 0.00 H new ATOM 0 HB THR A 13 8.239 3.686 -2.085 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.841 5.805 -2.886 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.554 4.411 -4.342 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.325 3.369 -3.586 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.077 5.130 -3.659 1.00 0.00 H new ATOM 158 N LEU A 14 7.941 5.456 0.600 1.00 0.00 N ATOM 159 CA LEU A 14 8.707 5.549 1.838 1.00 0.00 C ATOM 160 C LEU A 14 7.803 5.913 3.011 1.00 0.00 C ATOM 161 O LEU A 14 7.707 5.171 3.989 1.00 0.00 O ATOM 162 CB LEU A 14 9.820 6.588 1.695 1.00 0.00 C ATOM 163 CG LEU A 14 10.768 6.398 0.511 1.00 0.00 C ATOM 164 CD1 LEU A 14 11.475 7.703 0.177 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.781 5.302 0.809 1.00 0.00 C ATOM 0 H LEU A 14 7.979 6.292 0.017 1.00 0.00 H new ATOM 0 HA LEU A 14 9.152 4.574 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.361 7.573 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.411 6.587 2.611 1.00 0.00 H new ATOM 0 HG LEU A 14 10.179 6.096 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.145 7.548 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.736 8.462 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.051 8.036 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.448 5.181 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.364 5.575 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.258 4.364 0.997 1.00 0.00 H new ATOM 177 N LYS A 15 7.140 7.060 2.907 1.00 0.00 N ATOM 178 CA LYS A 15 6.241 7.522 3.957 1.00 0.00 C ATOM 179 C LYS A 15 5.379 6.377 4.479 1.00 0.00 C ATOM 180 O LYS A 15 5.186 6.231 5.686 1.00 0.00 O ATOM 181 CB LYS A 15 5.348 8.649 3.433 1.00 0.00 C ATOM 182 CG LYS A 15 4.680 9.457 4.532 1.00 0.00 C ATOM 183 CD LYS A 15 5.639 10.462 5.147 1.00 0.00 C ATOM 184 CE LYS A 15 5.839 11.668 4.242 1.00 0.00 C ATOM 185 NZ LYS A 15 4.842 12.740 4.518 1.00 0.00 N ATOM 0 H LYS A 15 7.209 7.687 2.105 1.00 0.00 H new ATOM 0 HA LYS A 15 6.848 7.900 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.947 9.318 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.579 8.222 2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.815 9.980 4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.311 8.784 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.254 10.790 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.600 9.982 5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.845 12.063 4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.759 11.357 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.012 13.544 3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.883 12.371 4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.935 13.055 5.505 1.00 0.00 H new ATOM 199 N LYS A 16 4.863 5.566 3.561 1.00 0.00 N ATOM 200 CA LYS A 16 4.023 4.432 3.927 1.00 0.00 C ATOM 201 C LYS A 16 4.830 3.378 4.680 1.00 0.00 C ATOM 202 O LYS A 16 5.421 2.485 4.073 1.00 0.00 O ATOM 203 CB LYS A 16 3.395 3.811 2.677 1.00 0.00 C ATOM 204 CG LYS A 16 2.309 2.794 2.983 1.00 0.00 C ATOM 205 CD LYS A 16 1.272 2.735 1.874 1.00 0.00 C ATOM 206 CE LYS A 16 1.859 2.166 0.592 1.00 0.00 C ATOM 207 NZ LYS A 16 1.144 2.665 -0.615 1.00 0.00 N ATOM 0 H LYS A 16 5.012 5.673 2.558 1.00 0.00 H new ATOM 0 HA LYS A 16 3.231 4.795 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.974 4.605 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.176 3.330 2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.758 1.810 3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.823 3.052 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.430 2.121 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.883 3.735 1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.914 2.433 0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.807 1.078 0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.887 1.861 -1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.282 3.169 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.763 3.314 -1.142 1.00 0.00 H new ATOM 221 N ASP A 17 4.848 3.489 6.004 1.00 0.00 N ATOM 222 CA ASP A 17 5.580 2.544 6.839 1.00 0.00 C ATOM 223 C ASP A 17 5.207 1.107 6.490 1.00 0.00 C ATOM 224 O ASP A 17 4.028 0.765 6.404 1.00 0.00 O ATOM 225 CB ASP A 17 5.297 2.812 8.318 1.00 0.00 C ATOM 226 CG ASP A 17 3.876 3.280 8.560 1.00 0.00 C ATOM 227 OD1 ASP A 17 2.964 2.800 7.853 1.00 0.00 O ATOM 228 OD2 ASP A 17 3.674 4.126 9.456 1.00 0.00 O ATOM 0 H ASP A 17 4.365 4.223 6.521 1.00 0.00 H new ATOM 0 HA ASP A 17 6.645 2.680 6.650 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.479 1.902 8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.992 3.566 8.687 1.00 0.00 H new ATOM 233 N TRP A 18 6.219 0.270 6.289 1.00 0.00 N ATOM 234 CA TRP A 18 5.997 -1.130 5.948 1.00 0.00 C ATOM 235 C TRP A 18 6.101 -2.015 7.185 1.00 0.00 C ATOM 236 O TRP A 18 5.296 -2.926 7.378 1.00 0.00 O ATOM 237 CB TRP A 18 7.006 -1.586 4.892 1.00 0.00 C ATOM 238 CG TRP A 18 6.989 -0.744 3.652 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.005 0.037 3.179 1.00 0.00 C ATOM 240 CD2 TRP A 18 5.904 -0.598 2.730 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.616 0.660 2.017 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.332 0.287 1.720 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.614 -1.129 2.658 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.514 0.650 0.654 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.803 -0.767 1.599 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.255 0.115 0.609 1.00 0.00 C ATOM 0 H TRP A 18 7.201 0.537 6.356 1.00 0.00 H new ATOM 0 HA TRP A 18 4.990 -1.224 5.542 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.007 -1.565 5.323 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.797 -2.621 4.623 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.971 0.149 3.649 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.191 1.297 1.465 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.257 -1.810 3.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.860 1.330 -0.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.804 -1.171 1.534 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.597 0.378 -0.206 1.00 0.00 H new ATOM 257 N TYR A 19 7.098 -1.742 8.020 1.00 0.00 N ATOM 258 CA TYR A 19 7.308 -2.515 9.238 1.00 0.00 C ATOM 259 C TYR A 19 6.060 -2.501 10.115 1.00 0.00 C ATOM 260 O TYR A 19 5.943 -3.281 11.060 1.00 0.00 O ATOM 261 CB TYR A 19 8.501 -1.961 10.019 1.00 0.00 C ATOM 262 CG TYR A 19 9.840 -2.312 9.410 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.228 -3.637 9.253 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.716 -1.319 8.991 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.450 -3.962 8.699 1.00 0.00 C ATOM 266 CE2 TYR A 19 11.940 -1.635 8.434 1.00 0.00 C ATOM 267 CZ TYR A 19 12.303 -2.958 8.290 1.00 0.00 C ATOM 268 OH TYR A 19 13.521 -3.278 7.735 1.00 0.00 O ATOM 0 H TYR A 19 7.773 -0.991 7.875 1.00 0.00 H new ATOM 0 HA TYR A 19 7.517 -3.546 8.952 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.412 -0.876 10.080 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.465 -2.342 11.040 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.562 -4.426 9.570 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.435 -0.282 9.103 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.737 -4.997 8.586 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.609 -0.850 8.113 1.00 0.00 H new ATOM 0 HH TYR A 19 14.000 -2.456 7.500 1.00 0.00 H new ATOM 278 N SER A 20 5.130 -1.608 9.794 1.00 0.00 N ATOM 279 CA SER A 20 3.891 -1.489 10.554 1.00 0.00 C ATOM 280 C SER A 20 2.754 -2.235 9.861 1.00 0.00 C ATOM 281 O SER A 20 1.936 -2.885 10.512 1.00 0.00 O ATOM 282 CB SER A 20 3.516 -0.016 10.730 1.00 0.00 C ATOM 283 OG SER A 20 2.787 0.185 11.929 1.00 0.00 O ATOM 0 H SER A 20 5.211 -0.956 9.013 1.00 0.00 H new ATOM 0 HA SER A 20 4.051 -1.936 11.535 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.420 0.593 10.744 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.921 0.315 9.879 1.00 0.00 H new ATOM 0 HG SER A 20 2.561 1.134 12.019 1.00 0.00 H new ATOM 289 N ILE A 21 2.711 -2.136 8.536 1.00 0.00 N ATOM 290 CA ILE A 21 1.677 -2.802 7.755 1.00 0.00 C ATOM 291 C ILE A 21 1.756 -4.316 7.914 1.00 0.00 C ATOM 292 O ILE A 21 0.735 -5.004 7.928 1.00 0.00 O ATOM 293 CB ILE A 21 1.786 -2.448 6.260 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.649 -0.937 6.059 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.726 -3.192 5.461 1.00 0.00 C ATOM 296 CD1 ILE A 21 2.143 -0.460 4.712 1.00 0.00 C ATOM 0 H ILE A 21 3.380 -1.601 7.982 1.00 0.00 H new ATOM 0 HA ILE A 21 0.718 -2.449 8.135 1.00 0.00 H new ATOM 0 HB ILE A 21 2.768 -2.756 5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.602 -0.657 6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.204 -0.422 6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.816 -2.931 4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.866 -4.266 5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.264 -2.912 5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.015 0.620 4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.199 -0.709 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.572 -0.947 3.922 1.00 0.00 H new ATOM 308 N LEU A 22 2.975 -4.829 8.037 1.00 0.00 N ATOM 309 CA LEU A 22 3.189 -6.263 8.198 1.00 0.00 C ATOM 310 C LEU A 22 3.284 -6.637 9.674 1.00 0.00 C ATOM 311 O LEU A 22 3.597 -7.776 10.017 1.00 0.00 O ATOM 312 CB LEU A 22 4.462 -6.694 7.468 1.00 0.00 C ATOM 313 CG LEU A 22 4.518 -6.380 5.973 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.939 -6.518 5.450 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.573 -7.290 5.201 1.00 0.00 C ATOM 0 H LEU A 22 3.830 -4.273 8.028 1.00 0.00 H new ATOM 0 HA LEU A 22 2.335 -6.784 7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.314 -6.215 7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.585 -7.769 7.598 1.00 0.00 H new ATOM 0 HG LEU A 22 4.198 -5.348 5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.958 -6.290 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.591 -5.824 5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.288 -7.538 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.626 -7.052 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.862 -8.330 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.553 -7.141 5.556 1.00 0.00 H new ATOM 327 N GLY A 23 3.010 -5.669 10.543 1.00 0.00 N ATOM 328 CA GLY A 23 3.068 -5.917 11.972 1.00 0.00 C ATOM 329 C GLY A 23 4.391 -6.517 12.403 1.00 0.00 C ATOM 330 O GLY A 23 4.425 -7.453 13.202 1.00 0.00 O ATOM 0 H GLY A 23 2.749 -4.718 10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.906 -4.981 12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.258 -6.590 12.254 1.00 0.00 H new ATOM 334 N ALA A 24 5.484 -5.980 11.871 1.00 0.00 N ATOM 335 CA ALA A 24 6.816 -6.469 12.206 1.00 0.00 C ATOM 336 C ALA A 24 7.690 -5.347 12.758 1.00 0.00 C ATOM 337 O ALA A 24 7.232 -4.217 12.925 1.00 0.00 O ATOM 338 CB ALA A 24 7.470 -7.097 10.984 1.00 0.00 C ATOM 0 H ALA A 24 5.473 -5.206 11.206 1.00 0.00 H new ATOM 0 HA ALA A 24 6.713 -7.229 12.981 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.464 -7.458 11.248 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.862 -7.931 10.634 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.553 -6.352 10.193 1.00 0.00 H new ATOM 344 N ASP A 25 8.948 -5.668 13.040 1.00 0.00 N ATOM 345 CA ASP A 25 9.886 -4.687 13.573 1.00 0.00 C ATOM 346 C ASP A 25 10.941 -4.324 12.533 1.00 0.00 C ATOM 347 O ASP A 25 11.261 -5.105 11.638 1.00 0.00 O ATOM 348 CB ASP A 25 10.560 -5.228 14.835 1.00 0.00 C ATOM 349 CG ASP A 25 9.619 -5.265 16.023 1.00 0.00 C ATOM 350 OD1 ASP A 25 8.599 -5.982 15.950 1.00 0.00 O ATOM 351 OD2 ASP A 25 9.902 -4.576 17.026 1.00 0.00 O ATOM 0 H ASP A 25 9.342 -6.600 12.908 1.00 0.00 H new ATOM 0 HA ASP A 25 9.327 -3.786 13.827 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.935 -6.233 14.641 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.422 -4.607 15.077 1.00 0.00 H new ATOM 356 N PRO A 26 11.496 -3.108 12.653 1.00 0.00 N ATOM 357 CA PRO A 26 12.524 -2.613 11.732 1.00 0.00 C ATOM 358 C PRO A 26 13.852 -3.343 11.898 1.00 0.00 C ATOM 359 O PRO A 26 14.819 -3.061 11.192 1.00 0.00 O ATOM 360 CB PRO A 26 12.670 -1.140 12.123 1.00 0.00 C ATOM 361 CG PRO A 26 12.237 -1.082 13.547 1.00 0.00 C ATOM 362 CD PRO A 26 11.163 -2.124 13.697 1.00 0.00 C ATOM 0 HA PRO A 26 12.245 -2.766 10.689 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.699 -0.800 12.008 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.051 -0.500 11.494 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.073 -1.284 14.217 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.858 -0.092 13.799 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.174 -2.573 14.690 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.169 -1.701 13.549 1.00 0.00 H new ATOM 370 N SER A 27 13.891 -4.284 12.837 1.00 0.00 N ATOM 371 CA SER A 27 15.102 -5.053 13.098 1.00 0.00 C ATOM 372 C SER A 27 14.823 -6.550 13.018 1.00 0.00 C ATOM 373 O SER A 27 15.470 -7.351 13.693 1.00 0.00 O ATOM 374 CB SER A 27 15.668 -4.701 14.476 1.00 0.00 C ATOM 375 OG SER A 27 17.076 -4.856 14.504 1.00 0.00 O ATOM 0 H SER A 27 13.098 -4.532 13.429 1.00 0.00 H new ATOM 0 HA SER A 27 15.837 -4.797 12.335 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.407 -3.673 14.728 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.214 -5.340 15.233 1.00 0.00 H new ATOM 0 HG SER A 27 17.413 -4.624 15.394 1.00 0.00 H new ATOM 381 N ALA A 28 13.855 -6.921 12.187 1.00 0.00 N ATOM 382 CA ALA A 28 13.490 -8.322 12.016 1.00 0.00 C ATOM 383 C ALA A 28 14.387 -9.001 10.986 1.00 0.00 C ATOM 384 O ALA A 28 15.175 -8.345 10.307 1.00 0.00 O ATOM 385 CB ALA A 28 12.029 -8.441 11.607 1.00 0.00 C ATOM 0 H ALA A 28 13.309 -6.271 11.621 1.00 0.00 H new ATOM 0 HA ALA A 28 13.630 -8.828 12.971 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.770 -9.493 11.483 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.398 -8.001 12.379 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.871 -7.915 10.666 1.00 0.00 H new ATOM 391 N ASN A 29 14.261 -10.320 10.876 1.00 0.00 N ATOM 392 CA ASN A 29 15.061 -11.088 9.929 1.00 0.00 C ATOM 393 C ASN A 29 14.229 -11.493 8.717 1.00 0.00 C ATOM 394 O ASN A 29 13.013 -11.656 8.812 1.00 0.00 O ATOM 395 CB ASN A 29 15.635 -12.333 10.608 1.00 0.00 C ATOM 396 CG ASN A 29 16.601 -11.990 11.726 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.780 -11.733 11.485 1.00 0.00 O ATOM 398 ND2 ASN A 29 16.102 -11.985 12.957 1.00 0.00 N ATOM 0 H ASN A 29 13.613 -10.879 11.431 1.00 0.00 H new ATOM 0 HA ASN A 29 15.882 -10.457 9.588 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.819 -12.934 11.009 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.146 -12.945 9.865 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.703 -11.762 13.750 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.118 -12.205 13.109 1.00 0.00 H new ATOM 405 N MET A 30 14.894 -11.654 7.577 1.00 0.00 N ATOM 406 CA MET A 30 14.216 -12.043 6.346 1.00 0.00 C ATOM 407 C MET A 30 13.084 -13.024 6.635 1.00 0.00 C ATOM 408 O MET A 30 11.944 -12.811 6.222 1.00 0.00 O ATOM 409 CB MET A 30 15.211 -12.667 5.366 1.00 0.00 C ATOM 410 CG MET A 30 14.847 -12.446 3.906 1.00 0.00 C ATOM 411 SD MET A 30 15.562 -10.934 3.234 1.00 0.00 S ATOM 412 CE MET A 30 14.086 -10.065 2.710 1.00 0.00 C ATOM 0 H MET A 30 15.901 -11.521 7.481 1.00 0.00 H new ATOM 0 HA MET A 30 13.789 -11.146 5.897 1.00 0.00 H new ATOM 0 HB2 MET A 30 16.201 -12.251 5.552 1.00 0.00 H new ATOM 0 HB3 MET A 30 15.274 -13.738 5.558 1.00 0.00 H new ATOM 0 HG2 MET A 30 15.188 -13.298 3.317 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.762 -12.405 3.808 1.00 0.00 H new ATOM 0 HE1 MET A 30 14.342 -9.355 1.924 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.358 -10.781 2.329 1.00 0.00 H new ATOM 0 HE3 MET A 30 13.659 -9.530 3.558 1.00 0.00 H new ATOM 422 N SER A 31 13.407 -14.100 7.345 1.00 0.00 N ATOM 423 CA SER A 31 12.418 -15.116 7.685 1.00 0.00 C ATOM 424 C SER A 31 11.220 -14.492 8.394 1.00 0.00 C ATOM 425 O SER A 31 10.118 -14.440 7.847 1.00 0.00 O ATOM 426 CB SER A 31 13.046 -16.193 8.573 1.00 0.00 C ATOM 427 OG SER A 31 12.070 -17.114 9.025 1.00 0.00 O ATOM 0 H SER A 31 14.346 -14.291 7.696 1.00 0.00 H new ATOM 0 HA SER A 31 12.072 -15.575 6.759 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.820 -16.722 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.533 -15.725 9.429 1.00 0.00 H new ATOM 0 HG SER A 31 12.497 -17.793 9.589 1.00 0.00 H new ATOM 433 N ASP A 32 11.443 -14.020 9.616 1.00 0.00 N ATOM 434 CA ASP A 32 10.383 -13.399 10.401 1.00 0.00 C ATOM 435 C ASP A 32 9.437 -12.605 9.505 1.00 0.00 C ATOM 436 O ASP A 32 8.243 -12.898 9.431 1.00 0.00 O ATOM 437 CB ASP A 32 10.981 -12.483 11.470 1.00 0.00 C ATOM 438 CG ASP A 32 11.248 -13.211 12.773 1.00 0.00 C ATOM 439 OD1 ASP A 32 10.414 -14.054 13.163 1.00 0.00 O ATOM 440 OD2 ASP A 32 12.292 -12.937 13.403 1.00 0.00 O ATOM 0 H ASP A 32 12.349 -14.056 10.084 1.00 0.00 H new ATOM 0 HA ASP A 32 9.814 -14.191 10.888 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.912 -12.056 11.098 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.300 -11.652 11.654 1.00 0.00 H new ATOM 445 N LEU A 33 9.978 -11.599 8.827 1.00 0.00 N ATOM 446 CA LEU A 33 9.182 -10.762 7.936 1.00 0.00 C ATOM 447 C LEU A 33 8.302 -11.615 7.029 1.00 0.00 C ATOM 448 O LEU A 33 7.082 -11.453 6.998 1.00 0.00 O ATOM 449 CB LEU A 33 10.095 -9.872 7.090 1.00 0.00 C ATOM 450 CG LEU A 33 10.710 -8.669 7.806 1.00 0.00 C ATOM 451 CD1 LEU A 33 11.889 -8.123 7.015 1.00 0.00 C ATOM 452 CD2 LEU A 33 9.664 -7.585 8.024 1.00 0.00 C ATOM 0 H LEU A 33 10.964 -11.343 8.877 1.00 0.00 H new ATOM 0 HA LEU A 33 8.537 -10.132 8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.904 -10.487 6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.524 -9.508 6.236 1.00 0.00 H new ATOM 0 HG LEU A 33 11.072 -8.997 8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.314 -7.267 7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.648 -8.899 6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.551 -7.811 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.120 -6.737 8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.271 -7.260 7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.851 -7.981 8.633 1.00 0.00 H new ATOM 464 N LYS A 34 8.928 -12.526 6.292 1.00 0.00 N ATOM 465 CA LYS A 34 8.203 -13.409 5.386 1.00 0.00 C ATOM 466 C LYS A 34 7.051 -14.101 6.107 1.00 0.00 C ATOM 467 O LYS A 34 5.905 -14.044 5.661 1.00 0.00 O ATOM 468 CB LYS A 34 9.150 -14.455 4.793 1.00 0.00 C ATOM 469 CG LYS A 34 8.507 -15.319 3.722 1.00 0.00 C ATOM 470 CD LYS A 34 9.535 -16.185 3.013 1.00 0.00 C ATOM 471 CE LYS A 34 10.140 -15.466 1.817 1.00 0.00 C ATOM 472 NZ LYS A 34 11.273 -16.229 1.225 1.00 0.00 N ATOM 0 H LYS A 34 9.937 -12.672 6.304 1.00 0.00 H new ATOM 0 HA LYS A 34 7.791 -12.802 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.017 -13.949 4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.517 -15.097 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.745 -15.954 4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.002 -14.683 2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.325 -16.459 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.066 -17.112 2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.372 -15.311 1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.488 -14.480 2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.657 -15.705 0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.018 -16.355 1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.936 -17.161 0.908 1.00 0.00 H new ATOM 486 N GLN A 35 7.362 -14.751 7.223 1.00 0.00 N ATOM 487 CA GLN A 35 6.352 -15.453 8.006 1.00 0.00 C ATOM 488 C GLN A 35 5.120 -14.578 8.214 1.00 0.00 C ATOM 489 O GLN A 35 3.990 -15.018 8.003 1.00 0.00 O ATOM 490 CB GLN A 35 6.927 -15.876 9.358 1.00 0.00 C ATOM 491 CG GLN A 35 7.839 -17.090 9.279 1.00 0.00 C ATOM 492 CD GLN A 35 7.071 -18.396 9.247 1.00 0.00 C ATOM 493 OE1 GLN A 35 6.166 -18.578 8.432 1.00 0.00 O ATOM 494 NE2 GLN A 35 7.429 -19.316 10.136 1.00 0.00 N ATOM 0 H GLN A 35 8.306 -14.806 7.606 1.00 0.00 H new ATOM 0 HA GLN A 35 6.053 -16.343 7.453 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.484 -15.041 9.784 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.106 -16.093 10.041 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.459 -17.016 8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.513 -17.090 10.136 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.185 -19.123 10.793 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.948 -20.215 10.161 1.00 0.00 H new ATOM 503 N LYS A 36 5.346 -13.337 8.630 1.00 0.00 N ATOM 504 CA LYS A 36 4.256 -12.398 8.867 1.00 0.00 C ATOM 505 C LYS A 36 3.497 -12.109 7.576 1.00 0.00 C ATOM 506 O LYS A 36 2.279 -12.274 7.511 1.00 0.00 O ATOM 507 CB LYS A 36 4.798 -11.093 9.456 1.00 0.00 C ATOM 508 CG LYS A 36 4.987 -11.139 10.962 1.00 0.00 C ATOM 509 CD LYS A 36 6.325 -11.752 11.338 1.00 0.00 C ATOM 510 CE LYS A 36 6.688 -11.455 12.785 1.00 0.00 C ATOM 511 NZ LYS A 36 5.754 -12.118 13.738 1.00 0.00 N ATOM 0 H LYS A 36 6.275 -12.957 8.810 1.00 0.00 H new ATOM 0 HA LYS A 36 3.567 -12.852 9.579 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.753 -10.861 8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.115 -10.281 9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.921 -10.130 11.369 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.181 -11.718 11.413 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.288 -12.831 11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.102 -11.363 10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.706 -11.792 12.981 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.671 -10.378 12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.035 -11.891 14.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.786 -11.778 13.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.789 -13.148 13.598 1.00 0.00 H new ATOM 525 N TYR A 37 4.225 -11.678 6.552 1.00 0.00 N ATOM 526 CA TYR A 37 3.619 -11.365 5.262 1.00 0.00 C ATOM 527 C TYR A 37 2.713 -12.500 4.796 1.00 0.00 C ATOM 528 O TYR A 37 1.516 -12.306 4.587 1.00 0.00 O ATOM 529 CB TYR A 37 4.704 -11.101 4.217 1.00 0.00 C ATOM 530 CG TYR A 37 4.175 -11.023 2.802 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.708 -9.823 2.280 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.142 -12.149 1.989 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.223 -9.747 0.988 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.660 -12.082 0.696 1.00 0.00 C ATOM 535 CZ TYR A 37 3.202 -10.879 0.200 1.00 0.00 C ATOM 536 OH TYR A 37 2.720 -10.809 -1.087 1.00 0.00 O ATOM 0 H TYR A 37 5.235 -11.537 6.589 1.00 0.00 H new ATOM 0 HA TYR A 37 3.013 -10.467 5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.210 -10.166 4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.452 -11.892 4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.724 -8.935 2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.499 -13.093 2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.863 -8.807 0.598 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.642 -12.967 0.077 1.00 0.00 H new ATOM 0 HH TYR A 37 2.776 -11.693 -1.506 1.00 0.00 H new ATOM 546 N GLN A 38 3.294 -13.685 4.636 1.00 0.00 N ATOM 547 CA GLN A 38 2.540 -14.852 4.195 1.00 0.00 C ATOM 548 C GLN A 38 1.295 -15.052 5.052 1.00 0.00 C ATOM 549 O GLN A 38 0.232 -15.415 4.548 1.00 0.00 O ATOM 550 CB GLN A 38 3.418 -16.103 4.249 1.00 0.00 C ATOM 551 CG GLN A 38 4.538 -16.106 3.222 1.00 0.00 C ATOM 552 CD GLN A 38 4.923 -17.505 2.783 1.00 0.00 C ATOM 553 OE1 GLN A 38 4.381 -18.495 3.276 1.00 0.00 O ATOM 554 NE2 GLN A 38 5.864 -17.595 1.850 1.00 0.00 N ATOM 0 H GLN A 38 4.284 -13.862 4.805 1.00 0.00 H new ATOM 0 HA GLN A 38 2.226 -14.682 3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.850 -16.190 5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.793 -16.982 4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.229 -15.528 2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.412 -15.607 3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.287 -16.749 1.469 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.164 -18.510 1.515 1.00 0.00 H new ATOM 563 N LYS A 39 1.433 -14.812 6.352 1.00 0.00 N ATOM 564 CA LYS A 39 0.320 -14.964 7.281 1.00 0.00 C ATOM 565 C LYS A 39 -0.673 -13.815 7.134 1.00 0.00 C ATOM 566 O LYS A 39 -1.854 -13.957 7.455 1.00 0.00 O ATOM 567 CB LYS A 39 0.835 -15.027 8.721 1.00 0.00 C ATOM 568 CG LYS A 39 -0.108 -14.398 9.732 1.00 0.00 C ATOM 569 CD LYS A 39 0.112 -14.963 11.125 1.00 0.00 C ATOM 570 CE LYS A 39 -1.140 -14.839 11.981 1.00 0.00 C ATOM 571 NZ LYS A 39 -2.173 -15.841 11.600 1.00 0.00 N ATOM 0 H LYS A 39 2.306 -14.511 6.786 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.193 -15.896 7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.003 -16.069 8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.800 -14.524 8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.042 -13.318 9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.140 -14.572 9.426 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.402 -16.011 11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.937 -14.437 11.606 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.877 -14.970 13.031 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.552 -13.835 11.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.927 -15.852 12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.577 -15.589 10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.738 -16.784 11.542 1.00 0.00 H new ATOM 585 N LEU A 40 -0.187 -12.679 6.647 1.00 0.00 N ATOM 586 CA LEU A 40 -1.032 -11.505 6.456 1.00 0.00 C ATOM 587 C LEU A 40 -1.503 -11.403 5.009 1.00 0.00 C ATOM 588 O LEU A 40 -1.964 -10.350 4.569 1.00 0.00 O ATOM 589 CB LEU A 40 -0.273 -10.237 6.848 1.00 0.00 C ATOM 590 CG LEU A 40 0.116 -10.115 8.321 1.00 0.00 C ATOM 591 CD1 LEU A 40 1.110 -8.981 8.520 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.120 -9.900 9.183 1.00 0.00 C ATOM 0 H LEU A 40 0.788 -12.546 6.377 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.907 -11.610 7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.635 -10.181 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.885 -9.375 6.582 1.00 0.00 H new ATOM 0 HG LEU A 40 0.592 -11.046 8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.375 -8.910 9.575 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.007 -9.177 7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.661 -8.042 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.824 -9.815 10.229 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.625 -8.985 8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.797 -10.746 9.065 1.00 0.00 H new ATOM 604 N ILE A 41 -1.387 -12.505 4.275 1.00 0.00 N ATOM 605 CA ILE A 41 -1.804 -12.540 2.879 1.00 0.00 C ATOM 606 C ILE A 41 -3.073 -13.367 2.705 1.00 0.00 C ATOM 607 O ILE A 41 -3.844 -13.153 1.768 1.00 0.00 O ATOM 608 CB ILE A 41 -0.699 -13.119 1.975 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.418 -12.093 1.778 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.280 -13.543 0.635 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.095 -11.040 0.741 1.00 0.00 C ATOM 0 H ILE A 41 -1.008 -13.385 4.624 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.001 -11.510 2.583 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.276 -13.999 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.622 -11.603 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.330 -12.613 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.487 -13.950 0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.044 -14.304 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.726 -12.679 0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.931 -10.346 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.080 -11.519 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.799 -10.494 1.043 1.00 0.00 H new ATOM 623 N LEU A 42 -3.286 -14.313 3.614 1.00 0.00 N ATOM 624 CA LEU A 42 -4.463 -15.172 3.563 1.00 0.00 C ATOM 625 C LEU A 42 -5.658 -14.499 4.231 1.00 0.00 C ATOM 626 O LEU A 42 -6.803 -14.696 3.823 1.00 0.00 O ATOM 627 CB LEU A 42 -4.172 -16.511 4.242 1.00 0.00 C ATOM 628 CG LEU A 42 -2.703 -16.933 4.291 1.00 0.00 C ATOM 629 CD1 LEU A 42 -2.572 -18.352 4.821 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.069 -16.817 2.912 1.00 0.00 C ATOM 0 H LEU A 42 -2.658 -14.504 4.395 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.708 -15.349 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.551 -16.468 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.735 -17.288 3.725 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.175 -16.263 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.520 -18.634 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.988 -18.405 5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.114 -19.036 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.024 -17.121 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.600 -17.463 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.129 -15.784 2.570 1.00 0.00 H new ATOM 642 N LEU A 43 -5.383 -13.703 5.259 1.00 0.00 N ATOM 643 CA LEU A 43 -6.435 -12.999 5.983 1.00 0.00 C ATOM 644 C LEU A 43 -7.148 -12.002 5.075 1.00 0.00 C ATOM 645 O LEU A 43 -8.377 -11.921 5.069 1.00 0.00 O ATOM 646 CB LEU A 43 -5.848 -12.272 7.195 1.00 0.00 C ATOM 647 CG LEU A 43 -5.605 -13.129 8.438 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.602 -12.456 9.362 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.914 -13.392 9.169 1.00 0.00 C ATOM 0 H LEU A 43 -4.441 -13.529 5.609 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.162 -13.736 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.901 -11.820 6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.520 -11.457 7.465 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.191 -14.086 8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.441 -13.080 10.241 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.657 -12.320 8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.988 -11.485 9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.722 -14.003 10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.357 -12.444 9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.602 -13.917 8.506 1.00 0.00 H new ATOM 661 N TYR A 44 -6.370 -11.248 4.307 1.00 0.00 N ATOM 662 CA TYR A 44 -6.927 -10.257 3.394 1.00 0.00 C ATOM 663 C TYR A 44 -6.899 -10.764 1.956 1.00 0.00 C ATOM 664 O TYR A 44 -6.757 -9.985 1.013 1.00 0.00 O ATOM 665 CB TYR A 44 -6.150 -8.943 3.499 1.00 0.00 C ATOM 666 CG TYR A 44 -5.855 -8.526 4.922 1.00 0.00 C ATOM 667 CD1 TYR A 44 -6.759 -7.754 5.642 1.00 0.00 C ATOM 668 CD2 TYR A 44 -4.672 -8.901 5.546 1.00 0.00 C ATOM 669 CE1 TYR A 44 -6.493 -7.369 6.942 1.00 0.00 C ATOM 670 CE2 TYR A 44 -4.399 -8.523 6.846 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.312 -7.757 7.540 1.00 0.00 C ATOM 672 OH TYR A 44 -5.043 -7.376 8.834 1.00 0.00 O ATOM 0 H TYR A 44 -5.352 -11.304 4.298 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.965 -10.082 3.678 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.210 -9.042 2.956 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.720 -8.154 3.009 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.685 -7.450 5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.953 -9.499 5.005 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.206 -6.768 7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.475 -8.826 7.317 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.171 -7.732 9.106 1.00 0.00 H new ATOM 682 N HIS A 45 -7.037 -12.076 1.796 1.00 0.00 N ATOM 683 CA HIS A 45 -7.029 -12.690 0.472 1.00 0.00 C ATOM 684 C HIS A 45 -8.419 -12.647 -0.155 1.00 0.00 C ATOM 685 O HIS A 45 -9.433 -12.866 0.509 1.00 0.00 O ATOM 686 CB HIS A 45 -6.541 -14.136 0.560 1.00 0.00 C ATOM 687 CG HIS A 45 -6.038 -14.679 -0.742 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.838 -15.370 -1.628 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.809 -14.628 -1.307 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.122 -15.722 -2.681 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.888 -15.283 -2.512 1.00 0.00 N ATOM 0 H HIS A 45 -7.156 -12.735 2.566 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.347 -12.122 -0.161 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.745 -14.197 1.302 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.357 -14.765 0.916 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.930 -14.160 -0.889 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.484 -16.275 -3.535 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.118 -15.410 -3.169 1.00 0.00 H new ATOM 700 N PRO A 46 -8.470 -12.357 -1.463 1.00 0.00 N ATOM 701 CA PRO A 46 -9.730 -12.279 -2.208 1.00 0.00 C ATOM 702 C PRO A 46 -10.385 -13.644 -2.385 1.00 0.00 C ATOM 703 O PRO A 46 -11.602 -13.781 -2.258 1.00 0.00 O ATOM 704 CB PRO A 46 -9.306 -11.710 -3.564 1.00 0.00 C ATOM 705 CG PRO A 46 -7.875 -12.098 -3.707 1.00 0.00 C ATOM 706 CD PRO A 46 -7.301 -12.085 -2.317 1.00 0.00 C ATOM 0 HA PRO A 46 -10.473 -11.673 -1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.910 -12.121 -4.372 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.428 -10.627 -3.594 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.782 -13.086 -4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.344 -11.400 -4.355 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.528 -12.844 -2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.845 -11.124 -2.080 1.00 0.00 H new ATOM 714 N ASP A 47 -9.571 -14.652 -2.678 1.00 0.00 N ATOM 715 CA ASP A 47 -10.072 -16.008 -2.871 1.00 0.00 C ATOM 716 C ASP A 47 -10.663 -16.559 -1.576 1.00 0.00 C ATOM 717 O ASP A 47 -11.643 -17.304 -1.595 1.00 0.00 O ATOM 718 CB ASP A 47 -8.950 -16.924 -3.363 1.00 0.00 C ATOM 719 CG ASP A 47 -9.473 -18.238 -3.909 1.00 0.00 C ATOM 720 OD1 ASP A 47 -10.047 -18.234 -5.018 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.309 -19.272 -3.226 1.00 0.00 O ATOM 0 H ASP A 47 -8.561 -14.556 -2.787 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.860 -15.974 -3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.381 -16.412 -4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.261 -17.123 -2.542 1.00 0.00 H new ATOM 726 N LYS A 48 -10.060 -16.187 -0.452 1.00 0.00 N ATOM 727 CA LYS A 48 -10.525 -16.642 0.853 1.00 0.00 C ATOM 728 C LYS A 48 -11.901 -16.066 1.171 1.00 0.00 C ATOM 729 O LYS A 48 -12.699 -16.692 1.868 1.00 0.00 O ATOM 730 CB LYS A 48 -9.528 -16.240 1.942 1.00 0.00 C ATOM 731 CG LYS A 48 -8.377 -17.218 2.104 1.00 0.00 C ATOM 732 CD LYS A 48 -7.750 -17.567 0.764 1.00 0.00 C ATOM 733 CE LYS A 48 -6.488 -18.398 0.940 1.00 0.00 C ATOM 734 NZ LYS A 48 -6.798 -19.832 1.194 1.00 0.00 N ATOM 0 H LYS A 48 -9.248 -15.571 -0.419 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.603 -17.729 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.126 -15.254 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.056 -16.152 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.621 -16.786 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.736 -18.127 2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.468 -18.118 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.512 -16.651 0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.870 -18.313 0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.904 -18.000 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.912 -20.364 1.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.366 -19.916 2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.333 -20.219 0.391 1.00 0.00 H new ATOM 748 N GLN A 49 -12.172 -14.872 0.654 1.00 0.00 N ATOM 749 CA GLN A 49 -13.452 -14.213 0.884 1.00 0.00 C ATOM 750 C GLN A 49 -14.609 -15.185 0.676 1.00 0.00 C ATOM 751 O GLN A 49 -14.460 -16.210 0.013 1.00 0.00 O ATOM 752 CB GLN A 49 -13.606 -13.012 -0.051 1.00 0.00 C ATOM 753 CG GLN A 49 -12.486 -11.993 0.079 1.00 0.00 C ATOM 754 CD GLN A 49 -12.515 -11.258 1.405 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.363 -10.393 1.630 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.588 -11.600 2.292 1.00 0.00 N ATOM 0 H GLN A 49 -11.523 -14.341 0.073 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.473 -13.866 1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.646 -13.367 -1.081 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.558 -12.522 0.154 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.526 -12.498 -0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.561 -11.271 -0.734 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.905 -12.322 2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.559 -11.141 3.202 1.00 0.00 H new ATOM 765 N SER A 50 -15.762 -14.855 1.250 1.00 0.00 N ATOM 766 CA SER A 50 -16.944 -15.701 1.131 1.00 0.00 C ATOM 767 C SER A 50 -18.184 -14.978 1.649 1.00 0.00 C ATOM 768 O SER A 50 -18.082 -13.954 2.323 1.00 0.00 O ATOM 769 CB SER A 50 -16.742 -17.007 1.902 1.00 0.00 C ATOM 770 OG SER A 50 -15.833 -17.861 1.230 1.00 0.00 O ATOM 0 H SER A 50 -15.903 -14.009 1.802 1.00 0.00 H new ATOM 0 HA SER A 50 -17.092 -15.930 0.076 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.368 -16.788 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.700 -17.513 2.023 1.00 0.00 H new ATOM 0 HG SER A 50 -15.485 -17.407 0.434 1.00 0.00 H new ATOM 776 N ALA A 51 -19.354 -15.520 1.328 1.00 0.00 N ATOM 777 CA ALA A 51 -20.614 -14.929 1.762 1.00 0.00 C ATOM 778 C ALA A 51 -20.546 -14.503 3.224 1.00 0.00 C ATOM 779 O ALA A 51 -21.287 -13.621 3.659 1.00 0.00 O ATOM 780 CB ALA A 51 -21.758 -15.909 1.548 1.00 0.00 C ATOM 0 H ALA A 51 -19.456 -16.367 0.769 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.796 -14.039 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.693 -15.454 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.829 -16.160 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.573 -16.815 2.124 1.00 0.00 H new ATOM 786 N ASP A 52 -19.655 -15.136 3.979 1.00 0.00 N ATOM 787 CA ASP A 52 -19.490 -14.822 5.394 1.00 0.00 C ATOM 788 C ASP A 52 -19.281 -13.325 5.597 1.00 0.00 C ATOM 789 O ASP A 52 -20.104 -12.651 6.216 1.00 0.00 O ATOM 790 CB ASP A 52 -18.308 -15.599 5.976 1.00 0.00 C ATOM 791 CG ASP A 52 -18.063 -15.272 7.436 1.00 0.00 C ATOM 792 OD1 ASP A 52 -17.387 -14.259 7.712 1.00 0.00 O ATOM 793 OD2 ASP A 52 -18.549 -16.029 8.302 1.00 0.00 O ATOM 0 H ASP A 52 -19.036 -15.870 3.635 1.00 0.00 H new ATOM 0 HA ASP A 52 -20.400 -15.117 5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -18.493 -16.668 5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -17.410 -15.374 5.401 1.00 0.00 H new ATOM 798 N VAL A 53 -18.172 -12.811 5.074 1.00 0.00 N ATOM 799 CA VAL A 53 -17.854 -11.393 5.198 1.00 0.00 C ATOM 800 C VAL A 53 -18.868 -10.535 4.450 1.00 0.00 C ATOM 801 O VAL A 53 -19.290 -10.855 3.339 1.00 0.00 O ATOM 802 CB VAL A 53 -16.443 -11.086 4.663 1.00 0.00 C ATOM 803 CG1 VAL A 53 -15.413 -11.992 5.319 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.405 -11.230 3.149 1.00 0.00 C ATOM 0 H VAL A 53 -17.479 -13.355 4.560 1.00 0.00 H new ATOM 0 HA VAL A 53 -17.892 -11.151 6.260 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.195 -10.055 4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -14.422 -11.760 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.424 -11.834 6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.654 -13.033 5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.401 -11.009 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.674 -12.250 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.113 -10.534 2.699 1.00 0.00 H new ATOM 814 N PRO A 54 -19.269 -9.416 5.072 1.00 0.00 N ATOM 815 CA PRO A 54 -20.238 -8.487 4.483 1.00 0.00 C ATOM 816 C PRO A 54 -19.666 -7.734 3.287 1.00 0.00 C ATOM 817 O PRO A 54 -18.508 -7.926 2.917 1.00 0.00 O ATOM 818 CB PRO A 54 -20.543 -7.519 5.629 1.00 0.00 C ATOM 819 CG PRO A 54 -19.333 -7.567 6.497 1.00 0.00 C ATOM 820 CD PRO A 54 -18.808 -8.972 6.398 1.00 0.00 C ATOM 0 HA PRO A 54 -21.117 -9.004 4.099 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.724 -6.510 5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.435 -7.822 6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.585 -6.847 6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.582 -7.315 7.528 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.721 -9.001 6.476 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -19.202 -9.605 7.193 1.00 0.00 H new ATOM 828 N ALA A 55 -20.485 -6.877 2.686 1.00 0.00 N ATOM 829 CA ALA A 55 -20.058 -6.093 1.534 1.00 0.00 C ATOM 830 C ALA A 55 -19.056 -5.019 1.941 1.00 0.00 C ATOM 831 O ALA A 55 -18.098 -4.744 1.219 1.00 0.00 O ATOM 832 CB ALA A 55 -21.263 -5.462 0.850 1.00 0.00 C ATOM 0 H ALA A 55 -21.448 -6.708 2.978 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.565 -6.764 0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.930 -4.879 -0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.943 -6.245 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.780 -4.809 1.553 1.00 0.00 H new ATOM 838 N GLY A 56 -19.283 -4.413 3.102 1.00 0.00 N ATOM 839 CA GLY A 56 -18.391 -3.374 3.584 1.00 0.00 C ATOM 840 C GLY A 56 -16.978 -3.878 3.800 1.00 0.00 C ATOM 841 O GLY A 56 -16.030 -3.368 3.203 1.00 0.00 O ATOM 0 H GLY A 56 -20.069 -4.623 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.375 -2.552 2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.778 -2.973 4.521 1.00 0.00 H new ATOM 845 N THR A 57 -16.834 -4.883 4.659 1.00 0.00 N ATOM 846 CA THR A 57 -15.527 -5.455 4.954 1.00 0.00 C ATOM 847 C THR A 57 -14.673 -5.555 3.696 1.00 0.00 C ATOM 848 O THR A 57 -13.567 -5.019 3.640 1.00 0.00 O ATOM 849 CB THR A 57 -15.655 -6.853 5.587 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.442 -6.781 6.781 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.284 -7.428 5.912 1.00 0.00 C ATOM 0 H THR A 57 -17.608 -5.317 5.162 1.00 0.00 H new ATOM 0 HA THR A 57 -15.043 -4.786 5.665 1.00 0.00 H new ATOM 0 HB THR A 57 -16.146 -7.509 4.868 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.264 -7.568 7.338 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.400 -8.416 6.358 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.698 -7.510 4.997 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.771 -6.771 6.614 1.00 0.00 H new ATOM 859 N MET A 58 -15.194 -6.245 2.686 1.00 0.00 N ATOM 860 CA MET A 58 -14.479 -6.414 1.426 1.00 0.00 C ATOM 861 C MET A 58 -13.684 -5.159 1.081 1.00 0.00 C ATOM 862 O MET A 58 -12.470 -5.217 0.887 1.00 0.00 O ATOM 863 CB MET A 58 -15.460 -6.736 0.298 1.00 0.00 C ATOM 864 CG MET A 58 -14.787 -7.248 -0.965 1.00 0.00 C ATOM 865 SD MET A 58 -13.953 -8.827 -0.717 1.00 0.00 S ATOM 866 CE MET A 58 -12.243 -8.346 -0.946 1.00 0.00 C ATOM 0 H MET A 58 -16.108 -6.696 2.716 1.00 0.00 H new ATOM 0 HA MET A 58 -13.783 -7.245 1.540 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.172 -7.483 0.649 1.00 0.00 H new ATOM 0 HB3 MET A 58 -16.031 -5.839 0.058 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.534 -7.356 -1.752 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.063 -6.510 -1.311 1.00 0.00 H new ATOM 0 HE1 MET A 58 -11.590 -9.148 -0.602 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.057 -8.155 -2.003 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.040 -7.441 -0.373 1.00 0.00 H new ATOM 876 N GLU A 59 -14.376 -4.026 1.005 1.00 0.00 N ATOM 877 CA GLU A 59 -13.732 -2.759 0.682 1.00 0.00 C ATOM 878 C GLU A 59 -12.519 -2.520 1.576 1.00 0.00 C ATOM 879 O GLU A 59 -11.465 -2.090 1.108 1.00 0.00 O ATOM 880 CB GLU A 59 -14.725 -1.604 0.832 1.00 0.00 C ATOM 881 CG GLU A 59 -15.705 -1.490 -0.323 1.00 0.00 C ATOM 882 CD GLU A 59 -16.202 -0.072 -0.530 1.00 0.00 C ATOM 883 OE1 GLU A 59 -16.717 0.523 0.440 1.00 0.00 O ATOM 884 OE2 GLU A 59 -16.075 0.441 -1.661 1.00 0.00 O ATOM 0 H GLU A 59 -15.382 -3.960 1.163 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.394 -2.807 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.283 -1.734 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.171 -0.669 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.225 -1.840 -1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.556 -2.146 -0.138 1.00 0.00 H new ATOM 891 N GLU A 60 -12.677 -2.803 2.866 1.00 0.00 N ATOM 892 CA GLU A 60 -11.596 -2.618 3.826 1.00 0.00 C ATOM 893 C GLU A 60 -10.453 -3.592 3.553 1.00 0.00 C ATOM 894 O GLU A 60 -9.281 -3.214 3.577 1.00 0.00 O ATOM 895 CB GLU A 60 -12.113 -2.809 5.253 1.00 0.00 C ATOM 896 CG GLU A 60 -13.085 -1.730 5.698 1.00 0.00 C ATOM 897 CD GLU A 60 -12.446 -0.356 5.755 1.00 0.00 C ATOM 898 OE1 GLU A 60 -12.142 0.203 4.680 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.249 0.160 6.875 1.00 0.00 O ATOM 0 H GLU A 60 -13.543 -3.161 3.269 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.218 -1.601 3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.603 -3.780 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.265 -2.827 5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.932 -1.704 5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.479 -1.984 6.682 1.00 0.00 H new ATOM 906 N CYS A 61 -10.803 -4.847 3.294 1.00 0.00 N ATOM 907 CA CYS A 61 -9.807 -5.877 3.017 1.00 0.00 C ATOM 908 C CYS A 61 -8.928 -5.480 1.836 1.00 0.00 C ATOM 909 O CYS A 61 -7.702 -5.461 1.941 1.00 0.00 O ATOM 910 CB CYS A 61 -10.492 -7.214 2.732 1.00 0.00 C ATOM 911 SG CYS A 61 -10.777 -8.227 4.203 1.00 0.00 S ATOM 0 H CYS A 61 -11.768 -5.176 3.270 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.174 -5.982 3.898 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.448 -7.023 2.245 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.882 -7.779 2.027 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.545 -9.230 3.897 1.00 0.00 H new ATOM 917 N MET A 62 -9.563 -5.165 0.712 1.00 0.00 N ATOM 918 CA MET A 62 -8.838 -4.769 -0.490 1.00 0.00 C ATOM 919 C MET A 62 -7.691 -3.823 -0.146 1.00 0.00 C ATOM 920 O MET A 62 -6.526 -4.132 -0.392 1.00 0.00 O ATOM 921 CB MET A 62 -9.786 -4.098 -1.486 1.00 0.00 C ATOM 922 CG MET A 62 -9.273 -4.111 -2.916 1.00 0.00 C ATOM 923 SD MET A 62 -9.641 -5.654 -3.773 1.00 0.00 S ATOM 924 CE MET A 62 -8.376 -5.649 -5.040 1.00 0.00 C ATOM 0 H MET A 62 -10.578 -5.176 0.608 1.00 0.00 H new ATOM 0 HA MET A 62 -8.421 -5.667 -0.945 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.752 -4.601 -1.451 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.953 -3.066 -1.178 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.717 -3.281 -3.465 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.195 -3.950 -2.912 1.00 0.00 H new ATOM 0 HE1 MET A 62 -8.473 -6.544 -5.654 1.00 0.00 H new ATOM 0 HE2 MET A 62 -8.492 -4.765 -5.666 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.392 -5.635 -4.572 1.00 0.00 H new ATOM 934 N GLN A 63 -8.030 -2.672 0.424 1.00 0.00 N ATOM 935 CA GLN A 63 -7.028 -1.682 0.800 1.00 0.00 C ATOM 936 C GLN A 63 -5.859 -2.339 1.526 1.00 0.00 C ATOM 937 O GLN A 63 -4.704 -2.192 1.126 1.00 0.00 O ATOM 938 CB GLN A 63 -7.653 -0.604 1.688 1.00 0.00 C ATOM 939 CG GLN A 63 -8.582 0.338 0.938 1.00 0.00 C ATOM 940 CD GLN A 63 -7.837 1.274 0.007 1.00 0.00 C ATOM 941 OE1 GLN A 63 -6.996 2.062 0.442 1.00 0.00 O ATOM 942 NE2 GLN A 63 -8.142 1.193 -1.283 1.00 0.00 N ATOM 0 H GLN A 63 -8.991 -2.402 0.636 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.652 -1.219 -0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.209 -1.085 2.493 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.858 -0.022 2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.299 -0.247 0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.154 0.925 1.656 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.845 0.526 -1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.673 1.798 -1.957 1.00 0.00 H new ATOM 951 N LYS A 64 -6.166 -3.065 2.595 1.00 0.00 N ATOM 952 CA LYS A 64 -5.142 -3.747 3.378 1.00 0.00 C ATOM 953 C LYS A 64 -4.313 -4.676 2.497 1.00 0.00 C ATOM 954 O LYS A 64 -3.107 -4.488 2.340 1.00 0.00 O ATOM 955 CB LYS A 64 -5.785 -4.544 4.515 1.00 0.00 C ATOM 956 CG LYS A 64 -6.364 -3.673 5.616 1.00 0.00 C ATOM 957 CD LYS A 64 -5.321 -3.341 6.671 1.00 0.00 C ATOM 958 CE LYS A 64 -5.302 -4.379 7.782 1.00 0.00 C ATOM 959 NZ LYS A 64 -4.077 -4.270 8.622 1.00 0.00 N ATOM 0 H LYS A 64 -7.117 -3.197 2.940 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.481 -2.991 3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.577 -5.171 4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.040 -5.212 4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.753 -2.751 5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.205 -4.186 6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.337 -3.286 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.529 -2.358 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.185 -4.256 8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.357 -5.377 7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.102 -4.994 9.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.235 -4.413 8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.037 -3.326 9.057 1.00 0.00 H new ATOM 973 N PHE A 65 -4.968 -5.680 1.922 1.00 0.00 N ATOM 974 CA PHE A 65 -4.292 -6.638 1.056 1.00 0.00 C ATOM 975 C PHE A 65 -3.317 -5.932 0.120 1.00 0.00 C ATOM 976 O PHE A 65 -2.183 -6.375 -0.062 1.00 0.00 O ATOM 977 CB PHE A 65 -5.315 -7.432 0.241 1.00 0.00 C ATOM 978 CG PHE A 65 -4.699 -8.494 -0.624 1.00 0.00 C ATOM 979 CD1 PHE A 65 -4.301 -9.705 -0.080 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.516 -8.281 -1.981 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.734 -10.684 -0.874 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.950 -9.256 -2.779 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.557 -10.459 -2.225 1.00 0.00 C ATOM 0 H PHE A 65 -5.967 -5.851 2.041 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.729 -7.325 1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.027 -7.898 0.922 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.879 -6.744 -0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.435 -9.886 0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.819 -7.342 -2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.430 -11.624 -0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.815 -9.078 -3.836 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.112 -11.222 -2.847 1.00 0.00 H new ATOM 993 N ILE A 66 -3.767 -4.830 -0.472 1.00 0.00 N ATOM 994 CA ILE A 66 -2.935 -4.062 -1.389 1.00 0.00 C ATOM 995 C ILE A 66 -1.642 -3.616 -0.716 1.00 0.00 C ATOM 996 O ILE A 66 -0.547 -3.925 -1.186 1.00 0.00 O ATOM 997 CB ILE A 66 -3.679 -2.821 -1.919 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.805 -3.241 -2.866 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.710 -1.883 -2.623 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.853 -2.170 -3.071 1.00 0.00 C ATOM 0 H ILE A 66 -4.703 -4.450 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.698 -4.719 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.119 -2.291 -1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.376 -3.508 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.285 -4.137 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.251 -1.011 -2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.940 -1.562 -1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.245 -2.402 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.620 -2.537 -3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.309 -1.919 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.386 -1.281 -3.494 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.776 -2.888 0.389 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.617 -2.401 1.127 1.00 0.00 C ATOM 1014 C GLU A 67 0.332 -3.546 1.467 1.00 0.00 C ATOM 1015 O GLU A 67 1.544 -3.439 1.276 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.062 -1.695 2.410 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.549 -0.273 2.184 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.893 -0.221 1.485 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -2.928 -0.415 0.252 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -3.910 0.015 2.171 1.00 0.00 O ATOM 0 H GLU A 67 -2.675 -2.623 0.792 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.088 -1.689 0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.860 -2.274 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.229 -1.678 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.623 0.239 3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.813 0.269 1.590 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.227 -4.640 1.973 1.00 0.00 N ATOM 1028 CA ILE A 68 0.569 -5.805 2.339 1.00 0.00 C ATOM 1029 C ILE A 68 1.390 -6.304 1.155 1.00 0.00 C ATOM 1030 O ILE A 68 2.597 -6.518 1.269 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.318 -6.953 2.855 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.189 -6.472 4.017 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.540 -8.134 3.283 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.393 -7.351 4.274 1.00 0.00 C ATOM 0 H ILE A 68 -1.228 -4.744 2.139 1.00 0.00 H new ATOM 0 HA ILE A 68 1.241 -5.490 3.137 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.972 -7.278 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.582 -6.428 4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.528 -5.457 3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.101 -8.937 3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.121 -8.489 2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.216 -7.823 4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.964 -6.950 5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.022 -7.376 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.061 -8.362 4.512 1.00 0.00 H new ATOM 1046 N ASP A 69 0.728 -6.487 0.018 1.00 0.00 N ATOM 1047 CA ASP A 69 1.396 -6.958 -1.189 1.00 0.00 C ATOM 1048 C ASP A 69 2.530 -6.017 -1.585 1.00 0.00 C ATOM 1049 O ASP A 69 3.407 -6.382 -2.368 1.00 0.00 O ATOM 1050 CB ASP A 69 0.394 -7.080 -2.339 1.00 0.00 C ATOM 1051 CG ASP A 69 0.907 -7.957 -3.463 1.00 0.00 C ATOM 1052 OD1 ASP A 69 1.934 -7.597 -4.077 1.00 0.00 O ATOM 1053 OD2 ASP A 69 0.282 -9.005 -3.730 1.00 0.00 O ATOM 0 H ASP A 69 -0.271 -6.316 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 69 1.819 -7.941 -0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.542 -7.491 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.171 -6.087 -2.730 1.00 0.00 H new ATOM 1058 N GLN A 70 2.506 -4.806 -1.038 1.00 0.00 N ATOM 1059 CA GLN A 70 3.531 -3.813 -1.336 1.00 0.00 C ATOM 1060 C GLN A 70 4.688 -3.913 -0.347 1.00 0.00 C ATOM 1061 O GLN A 70 5.851 -3.994 -0.743 1.00 0.00 O ATOM 1062 CB GLN A 70 2.934 -2.406 -1.300 1.00 0.00 C ATOM 1063 CG GLN A 70 2.380 -1.946 -2.639 1.00 0.00 C ATOM 1064 CD GLN A 70 1.536 -0.692 -2.522 1.00 0.00 C ATOM 1065 OE1 GLN A 70 1.135 -0.300 -1.426 1.00 0.00 O ATOM 1066 NE2 GLN A 70 1.262 -0.055 -3.654 1.00 0.00 N ATOM 0 H GLN A 70 1.788 -4.489 -0.386 1.00 0.00 H new ATOM 0 HA GLN A 70 3.914 -4.011 -2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.137 -2.377 -0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.700 -1.703 -0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.206 -1.760 -3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.779 -2.745 -3.073 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.615 -0.416 -4.540 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.698 0.795 -3.637 1.00 0.00 H new ATOM 1075 N ALA A 71 4.361 -3.905 0.941 1.00 0.00 N ATOM 1076 CA ALA A 71 5.373 -3.996 1.987 1.00 0.00 C ATOM 1077 C ALA A 71 6.416 -5.056 1.650 1.00 0.00 C ATOM 1078 O ALA A 71 7.579 -4.940 2.036 1.00 0.00 O ATOM 1079 CB ALA A 71 4.721 -4.300 3.327 1.00 0.00 C ATOM 0 H ALA A 71 3.403 -3.836 1.285 1.00 0.00 H new ATOM 0 HA ALA A 71 5.880 -3.033 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.488 -4.365 4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.020 -3.505 3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.187 -5.248 3.265 1.00 0.00 H new ATOM 1085 N TRP A 72 5.993 -6.088 0.930 1.00 0.00 N ATOM 1086 CA TRP A 72 6.891 -7.169 0.542 1.00 0.00 C ATOM 1087 C TRP A 72 7.789 -6.744 -0.614 1.00 0.00 C ATOM 1088 O TRP A 72 8.956 -7.129 -0.682 1.00 0.00 O ATOM 1089 CB TRP A 72 6.089 -8.411 0.151 1.00 0.00 C ATOM 1090 CG TRP A 72 6.937 -9.634 -0.029 1.00 0.00 C ATOM 1091 CD1 TRP A 72 7.064 -10.384 -1.163 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.774 -10.249 0.957 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.929 -11.428 -0.941 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.379 -11.367 0.351 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.072 -9.963 2.292 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.262 -12.197 1.036 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 8.949 -10.788 2.970 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.536 -11.894 2.341 1.00 0.00 C ATOM 0 H TRP A 72 5.033 -6.199 0.603 1.00 0.00 H new ATOM 0 HA TRP A 72 7.522 -7.407 1.398 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.340 -8.607 0.918 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.552 -8.211 -0.776 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.559 -10.186 -2.097 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.193 -12.134 -1.628 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.625 -9.112 2.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.715 -13.051 0.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.186 -10.577 4.002 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.218 -12.519 2.898 1.00 0.00 H new ATOM 1109 N LYS A 73 7.238 -5.946 -1.523 1.00 0.00 N ATOM 1110 CA LYS A 73 7.988 -5.466 -2.677 1.00 0.00 C ATOM 1111 C LYS A 73 9.330 -4.880 -2.248 1.00 0.00 C ATOM 1112 O LYS A 73 10.321 -4.981 -2.971 1.00 0.00 O ATOM 1113 CB LYS A 73 7.179 -4.412 -3.435 1.00 0.00 C ATOM 1114 CG LYS A 73 5.806 -4.896 -3.869 1.00 0.00 C ATOM 1115 CD LYS A 73 5.905 -5.968 -4.941 1.00 0.00 C ATOM 1116 CE LYS A 73 6.511 -5.420 -6.224 1.00 0.00 C ATOM 1117 NZ LYS A 73 6.261 -6.319 -7.384 1.00 0.00 N ATOM 0 H LYS A 73 6.273 -5.618 -1.482 1.00 0.00 H new ATOM 0 HA LYS A 73 8.175 -6.314 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.062 -3.532 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.740 -4.099 -4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.269 -5.291 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.226 -4.055 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.513 -6.795 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.913 -6.369 -5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.093 -4.435 -6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.585 -5.289 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.690 -5.910 -8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.682 -7.252 -7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.236 -6.424 -7.527 1.00 0.00 H new ATOM 1131 N ILE A 74 9.353 -4.269 -1.068 1.00 0.00 N ATOM 1132 CA ILE A 74 10.573 -3.670 -0.542 1.00 0.00 C ATOM 1133 C ILE A 74 11.290 -4.624 0.407 1.00 0.00 C ATOM 1134 O ILE A 74 12.335 -5.182 0.073 1.00 0.00 O ATOM 1135 CB ILE A 74 10.280 -2.351 0.197 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.774 -1.292 -0.785 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.526 -1.860 0.919 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.304 -1.427 -1.114 1.00 0.00 C ATOM 0 H ILE A 74 8.541 -4.176 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 74 11.216 -3.462 -1.397 1.00 0.00 H new ATOM 0 HB ILE A 74 9.502 -2.532 0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.955 -0.303 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.352 -1.357 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.303 -0.927 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.846 -2.609 1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.323 -1.692 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.015 -0.644 -1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.120 -2.403 -1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.717 -1.332 -0.201 1.00 0.00 H new ATOM 1150 N LEU A 75 10.720 -4.808 1.593 1.00 0.00 N ATOM 1151 CA LEU A 75 11.302 -5.696 2.593 1.00 0.00 C ATOM 1152 C LEU A 75 11.572 -7.077 2.002 1.00 0.00 C ATOM 1153 O LEU A 75 12.577 -7.712 2.318 1.00 0.00 O ATOM 1154 CB LEU A 75 10.371 -5.819 3.800 1.00 0.00 C ATOM 1155 CG LEU A 75 10.158 -4.543 4.615 1.00 0.00 C ATOM 1156 CD1 LEU A 75 8.984 -4.708 5.568 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.422 -4.183 5.382 1.00 0.00 C ATOM 0 H LEU A 75 9.855 -4.354 1.886 1.00 0.00 H new ATOM 0 HA LEU A 75 12.250 -5.266 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.400 -6.170 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.768 -6.588 4.463 1.00 0.00 H new ATOM 0 HG LEU A 75 9.930 -3.729 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.848 -3.790 6.140 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.079 -4.918 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.183 -5.534 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.252 -3.272 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.680 -4.997 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.240 -4.022 4.680 1.00 0.00 H new ATOM 1169 N GLY A 76 10.668 -7.534 1.141 1.00 0.00 N ATOM 1170 CA GLY A 76 10.828 -8.835 0.519 1.00 0.00 C ATOM 1171 C GLY A 76 12.145 -8.966 -0.221 1.00 0.00 C ATOM 1172 O GLY A 76 12.787 -10.015 -0.177 1.00 0.00 O ATOM 0 H GLY A 76 9.828 -7.026 0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.766 -9.610 1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.006 -9.006 -0.176 1.00 0.00 H new ATOM 1176 N ASN A 77 12.547 -7.899 -0.903 1.00 0.00 N ATOM 1177 CA ASN A 77 13.795 -7.900 -1.658 1.00 0.00 C ATOM 1178 C ASN A 77 14.989 -7.681 -0.734 1.00 0.00 C ATOM 1179 O ASN A 77 14.826 -7.470 0.467 1.00 0.00 O ATOM 1180 CB ASN A 77 13.764 -6.815 -2.736 1.00 0.00 C ATOM 1181 CG ASN A 77 13.159 -7.309 -4.036 1.00 0.00 C ATOM 1182 OD1 ASN A 77 12.619 -8.413 -4.102 1.00 0.00 O ATOM 1183 ND2 ASN A 77 13.248 -6.491 -5.078 1.00 0.00 N ATOM 0 H ASN A 77 12.027 -7.023 -0.949 1.00 0.00 H new ATOM 0 HA ASN A 77 13.901 -8.874 -2.136 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.191 -5.962 -2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.778 -6.462 -2.922 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.860 -6.769 -5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.705 -5.585 -4.977 1.00 0.00 H new ATOM 1190 N GLU A 78 16.189 -7.733 -1.304 1.00 0.00 N ATOM 1191 CA GLU A 78 17.411 -7.541 -0.531 1.00 0.00 C ATOM 1192 C GLU A 78 17.993 -6.151 -0.772 1.00 0.00 C ATOM 1193 O GLU A 78 18.423 -5.477 0.163 1.00 0.00 O ATOM 1194 CB GLU A 78 18.444 -8.609 -0.894 1.00 0.00 C ATOM 1195 CG GLU A 78 19.524 -8.794 0.158 1.00 0.00 C ATOM 1196 CD GLU A 78 18.989 -9.391 1.445 1.00 0.00 C ATOM 1197 OE1 GLU A 78 18.189 -10.347 1.368 1.00 0.00 O ATOM 1198 OE2 GLU A 78 19.371 -8.902 2.529 1.00 0.00 O ATOM 0 H GLU A 78 16.341 -7.906 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 78 17.161 -7.633 0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.933 -9.559 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 78 18.913 -8.342 -1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.307 -9.440 -0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.985 -7.830 0.373 1.00 0.00 H new ATOM 1205 N GLU A 79 18.004 -5.730 -2.033 1.00 0.00 N ATOM 1206 CA GLU A 79 18.535 -4.422 -2.397 1.00 0.00 C ATOM 1207 C GLU A 79 17.695 -3.305 -1.784 1.00 0.00 C ATOM 1208 O GLU A 79 18.206 -2.461 -1.047 1.00 0.00 O ATOM 1209 CB GLU A 79 18.576 -4.269 -3.919 1.00 0.00 C ATOM 1210 CG GLU A 79 17.237 -4.519 -4.592 1.00 0.00 C ATOM 1211 CD GLU A 79 17.379 -4.875 -6.059 1.00 0.00 C ATOM 1212 OE1 GLU A 79 18.282 -5.673 -6.390 1.00 0.00 O ATOM 1213 OE2 GLU A 79 16.589 -4.357 -6.875 1.00 0.00 O ATOM 0 H GLU A 79 17.651 -6.276 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 79 19.549 -4.347 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.915 -3.263 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.313 -4.962 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.720 -5.327 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.615 -3.629 -4.496 1.00 0.00 H new ATOM 1220 N THR A 80 16.403 -3.305 -2.096 1.00 0.00 N ATOM 1221 CA THR A 80 15.492 -2.291 -1.579 1.00 0.00 C ATOM 1222 C THR A 80 15.417 -2.345 -0.057 1.00 0.00 C ATOM 1223 O THR A 80 15.630 -1.340 0.621 1.00 0.00 O ATOM 1224 CB THR A 80 14.075 -2.462 -2.158 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.611 -3.798 -1.932 1.00 0.00 O ATOM 1226 CG2 THR A 80 14.060 -2.160 -3.649 1.00 0.00 C ATOM 0 H THR A 80 15.964 -3.996 -2.704 1.00 0.00 H new ATOM 0 HA THR A 80 15.888 -1.323 -1.887 1.00 0.00 H new ATOM 0 HB THR A 80 13.413 -1.758 -1.654 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.242 -3.867 -1.027 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.049 -2.287 -4.036 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.386 -1.133 -3.816 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.735 -2.843 -4.165 1.00 0.00 H new ATOM 1234 N LYS A 81 15.112 -3.524 0.474 1.00 0.00 N ATOM 1235 CA LYS A 81 15.011 -3.710 1.917 1.00 0.00 C ATOM 1236 C LYS A 81 16.078 -2.900 2.646 1.00 0.00 C ATOM 1237 O LYS A 81 15.812 -2.298 3.687 1.00 0.00 O ATOM 1238 CB LYS A 81 15.148 -5.192 2.272 1.00 0.00 C ATOM 1239 CG LYS A 81 15.158 -5.461 3.767 1.00 0.00 C ATOM 1240 CD LYS A 81 15.591 -6.885 4.074 1.00 0.00 C ATOM 1241 CE LYS A 81 15.155 -7.312 5.467 1.00 0.00 C ATOM 1242 NZ LYS A 81 15.668 -8.665 5.819 1.00 0.00 N ATOM 0 H LYS A 81 14.930 -4.365 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 81 14.031 -3.356 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.325 -5.743 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.069 -5.578 1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.833 -4.760 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.163 -5.286 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.165 -7.563 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.675 -6.963 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.513 -6.587 6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.066 -7.311 5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.099 -9.061 6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.604 -9.288 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.661 -8.592 6.121 1.00 0.00 H new ATOM 1256 N LYS A 82 17.286 -2.889 2.094 1.00 0.00 N ATOM 1257 CA LYS A 82 18.394 -2.151 2.690 1.00 0.00 C ATOM 1258 C LYS A 82 18.234 -0.652 2.462 1.00 0.00 C ATOM 1259 O LYS A 82 18.452 0.151 3.370 1.00 0.00 O ATOM 1260 CB LYS A 82 19.725 -2.628 2.103 1.00 0.00 C ATOM 1261 CG LYS A 82 20.937 -2.170 2.896 1.00 0.00 C ATOM 1262 CD LYS A 82 22.177 -2.090 2.022 1.00 0.00 C ATOM 1263 CE LYS A 82 22.234 -0.779 1.253 1.00 0.00 C ATOM 1264 NZ LYS A 82 23.607 -0.486 0.757 1.00 0.00 N ATOM 0 H LYS A 82 17.523 -3.383 1.234 1.00 0.00 H new ATOM 0 HA LYS A 82 18.388 -2.340 3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.722 -3.717 2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.812 -2.264 1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.737 -1.193 3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.116 -2.860 3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 82 23.068 -2.188 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.184 -2.925 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.545 -0.822 0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 82 21.899 0.034 1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.604 0.415 0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 24.260 -0.419 1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 23.917 -1.249 0.122 1.00 0.00 H new ATOM 1278 N LYS A 83 17.850 -0.280 1.246 1.00 0.00 N ATOM 1279 CA LYS A 83 17.657 1.123 0.899 1.00 0.00 C ATOM 1280 C LYS A 83 16.641 1.779 1.829 1.00 0.00 C ATOM 1281 O LYS A 83 16.873 2.872 2.345 1.00 0.00 O ATOM 1282 CB LYS A 83 17.193 1.252 -0.553 1.00 0.00 C ATOM 1283 CG LYS A 83 18.334 1.370 -1.549 1.00 0.00 C ATOM 1284 CD LYS A 83 17.823 1.411 -2.980 1.00 0.00 C ATOM 1285 CE LYS A 83 17.739 0.016 -3.581 1.00 0.00 C ATOM 1286 NZ LYS A 83 19.005 -0.371 -4.264 1.00 0.00 N ATOM 0 H LYS A 83 17.666 -0.932 0.483 1.00 0.00 H new ATOM 0 HA LYS A 83 18.613 1.634 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.586 0.384 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 83 16.551 2.128 -0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 83 18.908 2.273 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 83 19.013 0.526 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 83 16.838 1.878 -3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 83 18.484 2.030 -3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 83 17.515 -0.705 -2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.915 -0.023 -4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.838 -1.210 -4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.331 0.415 -4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.731 -0.589 -3.552 1.00 0.00 H new ATOM 1300 N TYR A 84 15.517 1.104 2.039 1.00 0.00 N ATOM 1301 CA TYR A 84 14.465 1.622 2.906 1.00 0.00 C ATOM 1302 C TYR A 84 15.023 1.993 4.277 1.00 0.00 C ATOM 1303 O TYR A 84 14.949 3.147 4.698 1.00 0.00 O ATOM 1304 CB TYR A 84 13.348 0.589 3.060 1.00 0.00 C ATOM 1305 CG TYR A 84 12.157 1.097 3.842 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.403 2.168 3.380 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.787 0.506 5.044 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.316 2.636 4.091 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.700 0.966 5.762 1.00 0.00 C ATOM 1310 CZ TYR A 84 9.968 2.032 5.281 1.00 0.00 C ATOM 1311 OH TYR A 84 8.885 2.494 5.994 1.00 0.00 O ATOM 0 H TYR A 84 15.310 0.197 1.621 1.00 0.00 H new ATOM 0 HA TYR A 84 14.058 2.521 2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.015 0.276 2.070 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.748 -0.295 3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.672 2.643 2.448 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.359 -0.328 5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 84 9.741 3.471 3.717 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.425 0.494 6.694 1.00 0.00 H new ATOM 0 HH TYR A 84 8.776 1.958 6.807 1.00 0.00 H new ATOM 1321 N ASP A 85 15.581 1.005 4.968 1.00 0.00 N ATOM 1322 CA ASP A 85 16.154 1.226 6.290 1.00 0.00 C ATOM 1323 C ASP A 85 16.901 2.555 6.344 1.00 0.00 C ATOM 1324 O ASP A 85 16.691 3.361 7.252 1.00 0.00 O ATOM 1325 CB ASP A 85 17.099 0.081 6.658 1.00 0.00 C ATOM 1326 CG ASP A 85 17.156 -0.165 8.153 1.00 0.00 C ATOM 1327 OD1 ASP A 85 17.644 0.724 8.883 1.00 0.00 O ATOM 1328 OD2 ASP A 85 16.712 -1.245 8.594 1.00 0.00 O ATOM 0 H ASP A 85 15.649 0.043 4.634 1.00 0.00 H new ATOM 0 HA ASP A 85 15.337 1.259 7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.775 -0.830 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.100 0.308 6.292 1.00 0.00 H new ATOM 1333 N LEU A 86 17.773 2.778 5.368 1.00 0.00 N ATOM 1334 CA LEU A 86 18.552 4.009 5.304 1.00 0.00 C ATOM 1335 C LEU A 86 17.644 5.220 5.112 1.00 0.00 C ATOM 1336 O LEU A 86 17.896 6.290 5.665 1.00 0.00 O ATOM 1337 CB LEU A 86 19.569 3.935 4.163 1.00 0.00 C ATOM 1338 CG LEU A 86 20.844 3.141 4.451 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.539 3.680 5.692 1.00 0.00 C ATOM 1340 CD2 LEU A 86 20.526 1.662 4.615 1.00 0.00 C ATOM 0 H LEU A 86 17.959 2.122 4.609 1.00 0.00 H new ATOM 0 HA LEU A 86 19.083 4.122 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.079 3.495 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 86 19.852 4.951 3.889 1.00 0.00 H new ATOM 0 HG LEU A 86 21.519 3.255 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.444 3.103 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.802 4.726 5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.870 3.597 6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 86 21.445 1.113 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.832 1.529 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.073 1.283 3.699 1.00 0.00 H new ATOM 1352 N GLN A 87 16.586 5.041 4.327 1.00 0.00 N ATOM 1353 CA GLN A 87 15.640 6.118 4.065 1.00 0.00 C ATOM 1354 C GLN A 87 14.907 6.522 5.340 1.00 0.00 C ATOM 1355 O GLN A 87 14.963 7.679 5.759 1.00 0.00 O ATOM 1356 CB GLN A 87 14.631 5.690 2.997 1.00 0.00 C ATOM 1357 CG GLN A 87 15.159 5.813 1.577 1.00 0.00 C ATOM 1358 CD GLN A 87 15.306 7.254 1.131 1.00 0.00 C ATOM 1359 OE1 GLN A 87 16.124 8.002 1.667 1.00 0.00 O ATOM 1360 NE2 GLN A 87 14.511 7.653 0.145 1.00 0.00 N ATOM 0 H GLN A 87 16.363 4.161 3.862 1.00 0.00 H new ATOM 0 HA GLN A 87 16.201 6.979 3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.339 4.656 3.179 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.731 6.297 3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.126 5.315 1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 87 14.485 5.293 0.897 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.847 7.000 -0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.564 8.613 -0.196 1.00 0.00 H new ATOM 1369 N ARG A 88 14.222 5.563 5.952 1.00 0.00 N ATOM 1370 CA ARG A 88 13.477 5.820 7.179 1.00 0.00 C ATOM 1371 C ARG A 88 14.364 6.494 8.222 1.00 0.00 C ATOM 1372 O ARG A 88 15.448 6.005 8.540 1.00 0.00 O ATOM 1373 CB ARG A 88 12.913 4.514 7.741 1.00 0.00 C ATOM 1374 CG ARG A 88 13.971 3.452 7.995 1.00 0.00 C ATOM 1375 CD ARG A 88 13.355 2.165 8.520 1.00 0.00 C ATOM 1376 NE ARG A 88 14.310 1.377 9.294 1.00 0.00 N ATOM 1377 CZ ARG A 88 14.795 1.757 10.471 1.00 0.00 C ATOM 1378 NH1 ARG A 88 14.415 2.908 11.007 1.00 0.00 N ATOM 1379 NH2 ARG A 88 15.661 0.984 11.114 1.00 0.00 N ATOM 0 H ARG A 88 14.167 4.601 5.619 1.00 0.00 H new ATOM 0 HA ARG A 88 12.652 6.491 6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.391 4.725 8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.173 4.118 7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.511 3.247 7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.699 3.827 8.714 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.493 2.404 9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.989 1.571 7.683 1.00 0.00 H new ATOM 0 HE ARG A 88 14.622 0.485 8.910 1.00 0.00 H new ATOM 0 HH11 ARG A 88 13.749 3.504 10.516 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.789 3.198 11.911 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.955 0.097 10.705 1.00 0.00 H new ATOM 0 HH22 ARG A 88 16.033 1.277 12.018 1.00 0.00 H new ATOM 1393 N SER A 89 13.896 7.620 8.750 1.00 0.00 N ATOM 1394 CA SER A 89 14.648 8.364 9.754 1.00 0.00 C ATOM 1395 C SER A 89 14.456 7.754 11.139 1.00 0.00 C ATOM 1396 O SER A 89 15.133 8.131 12.095 1.00 0.00 O ATOM 1397 CB SER A 89 14.211 9.831 9.766 1.00 0.00 C ATOM 1398 OG SER A 89 13.064 10.015 10.578 1.00 0.00 O ATOM 0 H SER A 89 13.000 8.037 8.499 1.00 0.00 H new ATOM 0 HA SER A 89 15.705 8.309 9.495 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.026 10.453 10.136 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.996 10.158 8.749 1.00 0.00 H new ATOM 0 HG SER A 89 12.806 10.960 10.570 1.00 0.00 H new ATOM 1404 N GLY A 90 13.528 6.807 11.239 1.00 0.00 N ATOM 1405 CA GLY A 90 13.263 6.159 12.510 1.00 0.00 C ATOM 1406 C GLY A 90 11.849 6.400 13.000 1.00 0.00 C ATOM 1407 O GLY A 90 11.198 7.377 12.629 1.00 0.00 O ATOM 0 H GLY A 90 12.955 6.477 10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.432 5.087 12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.970 6.525 13.255 1.00 0.00 H new ATOM 1411 N PRO A 91 11.352 5.492 13.853 1.00 0.00 N ATOM 1412 CA PRO A 91 10.000 5.588 14.412 1.00 0.00 C ATOM 1413 C PRO A 91 9.863 6.739 15.403 1.00 0.00 C ATOM 1414 O PRO A 91 8.771 7.017 15.899 1.00 0.00 O ATOM 1415 CB PRO A 91 9.813 4.245 15.122 1.00 0.00 C ATOM 1416 CG PRO A 91 11.195 3.795 15.450 1.00 0.00 C ATOM 1417 CD PRO A 91 12.071 4.302 14.338 1.00 0.00 C ATOM 0 HA PRO A 91 9.254 5.786 13.642 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.208 4.354 16.022 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.304 3.525 14.481 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.517 4.193 16.412 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.245 2.708 15.521 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.069 4.554 14.696 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.193 3.558 13.551 1.00 0.00 H new ATOM 1425 N SER A 92 10.977 7.405 15.687 1.00 0.00 N ATOM 1426 CA SER A 92 10.982 8.524 16.622 1.00 0.00 C ATOM 1427 C SER A 92 9.796 9.449 16.367 1.00 0.00 C ATOM 1428 O SER A 92 9.434 9.712 15.220 1.00 0.00 O ATOM 1429 CB SER A 92 12.290 9.309 16.505 1.00 0.00 C ATOM 1430 OG SER A 92 12.295 10.425 17.378 1.00 0.00 O ATOM 0 H SER A 92 11.888 7.189 15.283 1.00 0.00 H new ATOM 0 HA SER A 92 10.897 8.122 17.632 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.131 8.657 16.739 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.424 9.647 15.477 1.00 0.00 H new ATOM 0 HG SER A 92 13.142 10.909 17.285 1.00 0.00 H new ATOM 1436 N SER A 93 9.194 9.941 17.446 1.00 0.00 N ATOM 1437 CA SER A 93 8.046 10.834 17.341 1.00 0.00 C ATOM 1438 C SER A 93 7.075 10.347 16.271 1.00 0.00 C ATOM 1439 O SER A 93 6.538 11.138 15.497 1.00 0.00 O ATOM 1440 CB SER A 93 8.508 12.256 17.018 1.00 0.00 C ATOM 1441 OG SER A 93 9.416 12.263 15.930 1.00 0.00 O ATOM 0 H SER A 93 9.483 9.736 18.403 1.00 0.00 H new ATOM 0 HA SER A 93 7.530 10.836 18.301 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.644 12.877 16.779 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.983 12.695 17.895 1.00 0.00 H new ATOM 0 HG SER A 93 9.224 11.505 15.339 1.00 0.00 H new ATOM 1447 N GLY A 94 6.855 9.036 16.232 1.00 0.00 N ATOM 1448 CA GLY A 94 5.949 8.464 15.254 1.00 0.00 C ATOM 1449 C GLY A 94 6.680 7.855 14.073 1.00 0.00 C ATOM 1450 O GLY A 94 6.260 6.829 13.537 1.00 0.00 O ATOM 0 H GLY A 94 7.289 8.360 16.861 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.338 7.699 15.733 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.269 9.238 14.897 1.00 0.00 H new TER 1454 GLY A 94