USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 761 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 27 ASN : amide:sc= 0.879 K(o=2.1,f=-1.1) USER MOD Set 1.2: A 29 THR OG1 : rot 35:sc= 1.18 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0992 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -87:sc= 0.838 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -161:sc= -0.195 (180deg=-0.758) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= 0.954 (180deg=-1.53!) USER MOD Single : A 16 LYS NZ :NH3+ -155:sc= 1.29 (180deg=1.07) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -105:sc= -6.92! (180deg=-8.26!) USER MOD Single : A 23 THR OG1 : rot 120:sc= 0.985 USER MOD Single : A 25 SER OG : rot -24:sc= 0.271 USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 2.45 (180deg=2.26) USER MOD Single : A 33 THR OG1 : rot -97:sc= -1.38! USER MOD Single : A 37 THR OG1 : rot 57:sc= 1.08 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 1.22 K(o=1.2,f=-0.27) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0444 X(o=-0.044,f=-0.068) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.026) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 177:sc= 0 (180deg=-0.017) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 22:sc= 0.896 USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0457) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.2) USER MOD Single : A 84 CYS SG : rot -140:sc= -1.71 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.205 K(o=-0.2,f=-0.88) USER MOD Single : A 93 MET CE :methyl -136:sc= -0.0927 (180deg=-0.526) USER MOD Single : A 94 TYR OH : rot 165:sc= -1.56! USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= -0.0201 (180deg=-0.213) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.161 16.442 -10.434 1.00 0.00 N ATOM 2 CA GLY A 1 9.711 16.835 -9.096 1.00 0.00 C ATOM 3 C GLY A 1 10.711 17.761 -8.446 1.00 0.00 C ATOM 4 O GLY A 1 11.522 18.382 -9.151 1.00 0.00 O ATOM 0 H1 GLY A 1 9.391 16.592 -11.117 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.983 17.018 -10.707 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.429 15.437 -10.429 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.742 17.329 -9.164 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.574 15.948 -8.478 1.00 0.00 H new ATOM 8 N PRO A 2 10.707 17.889 -7.103 1.00 0.00 N ATOM 9 CA PRO A 2 11.633 18.776 -6.400 1.00 0.00 C ATOM 10 C PRO A 2 13.077 18.261 -6.427 1.00 0.00 C ATOM 11 O PRO A 2 14.024 19.037 -6.382 1.00 0.00 O ATOM 12 CB PRO A 2 11.094 18.816 -4.965 1.00 0.00 C ATOM 13 CG PRO A 2 10.287 17.574 -4.809 1.00 0.00 C ATOM 14 CD PRO A 2 9.772 17.213 -6.176 1.00 0.00 C ATOM 0 HA PRO A 2 11.679 19.759 -6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.908 18.849 -4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.484 19.704 -4.799 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.895 16.767 -4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.462 17.734 -4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.769 16.134 -6.329 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.748 17.558 -6.320 1.00 0.00 H new ATOM 22 N GLY A 3 13.235 16.947 -6.493 1.00 0.00 N ATOM 23 CA GLY A 3 14.566 16.358 -6.528 1.00 0.00 C ATOM 24 C GLY A 3 15.124 16.170 -5.136 1.00 0.00 C ATOM 25 O GLY A 3 16.224 15.656 -4.954 1.00 0.00 O ATOM 0 H GLY A 3 12.468 16.275 -6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 3 14.526 15.396 -7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 3 15.233 16.998 -7.106 1.00 0.00 H new ATOM 29 N LYS A 4 14.358 16.588 -4.166 1.00 0.00 N ATOM 30 CA LYS A 4 14.715 16.500 -2.777 1.00 0.00 C ATOM 31 C LYS A 4 13.749 15.532 -2.101 1.00 0.00 C ATOM 32 O LYS A 4 12.601 15.433 -2.537 1.00 0.00 O ATOM 33 CB LYS A 4 14.608 17.903 -2.136 1.00 0.00 C ATOM 34 CG LYS A 4 14.818 17.966 -0.624 1.00 0.00 C ATOM 35 CD LYS A 4 14.589 19.369 -0.074 1.00 0.00 C ATOM 36 CE LYS A 4 15.539 20.377 -0.693 1.00 0.00 C ATOM 37 NZ LYS A 4 15.345 21.731 -0.142 1.00 0.00 N ATOM 0 H LYS A 4 13.443 17.011 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 4 15.737 16.141 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 4 15.340 18.555 -2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.623 18.310 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.138 17.269 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.831 17.644 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.560 19.672 -0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.721 19.362 1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.567 20.059 -0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.390 20.400 -1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.014 22.388 -0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.372 22.046 -0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.513 21.715 0.884 1.00 0.00 H new ATOM 51 N PRO A 5 14.193 14.761 -1.082 1.00 0.00 N ATOM 52 CA PRO A 5 13.298 13.888 -0.323 1.00 0.00 C ATOM 53 C PRO A 5 12.241 14.713 0.377 1.00 0.00 C ATOM 54 O PRO A 5 12.559 15.581 1.196 1.00 0.00 O ATOM 55 CB PRO A 5 14.222 13.230 0.710 1.00 0.00 C ATOM 56 CG PRO A 5 15.589 13.380 0.149 1.00 0.00 C ATOM 57 CD PRO A 5 15.578 14.683 -0.578 1.00 0.00 C ATOM 0 HA PRO A 5 12.775 13.165 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.138 13.716 1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.968 12.180 0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 5 16.340 13.377 0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.830 12.557 -0.524 1.00 0.00 H new ATOM 0 HD2 PRO A 5 15.816 15.517 0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 5 16.306 14.700 -1.389 1.00 0.00 H new ATOM 65 N GLU A 6 10.990 14.460 0.046 1.00 0.00 N ATOM 66 CA GLU A 6 9.855 15.178 0.612 1.00 0.00 C ATOM 67 C GLU A 6 9.513 14.675 2.019 1.00 0.00 C ATOM 68 O GLU A 6 8.442 15.028 2.604 1.00 0.00 O ATOM 69 CB GLU A 6 8.651 15.121 -0.334 1.00 0.00 C ATOM 70 CG GLU A 6 8.937 15.765 -1.689 1.00 0.00 C ATOM 71 CD GLU A 6 7.733 15.836 -2.592 1.00 0.00 C ATOM 72 OE1 GLU A 6 6.948 16.798 -2.467 1.00 0.00 O ATOM 73 OE2 GLU A 6 7.557 14.959 -3.455 1.00 0.00 O ATOM 0 H GLU A 6 10.726 13.743 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 6 10.136 16.226 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.361 14.081 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.804 15.624 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.320 16.773 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.724 15.201 -2.191 1.00 0.00 H new ATOM 80 N SER A 7 10.430 13.858 2.554 1.00 0.00 N ATOM 81 CA SER A 7 10.394 13.377 3.909 1.00 0.00 C ATOM 82 C SER A 7 9.161 12.544 4.167 1.00 0.00 C ATOM 83 O SER A 7 8.504 12.766 5.191 1.00 0.00 O ATOM 84 CB SER A 7 10.420 14.587 4.855 1.00 0.00 C ATOM 85 OG SER A 7 11.611 15.333 4.660 1.00 0.00 O ATOM 0 H SER A 7 11.233 13.514 2.027 1.00 0.00 H new ATOM 0 HA SER A 7 11.260 12.739 4.083 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.551 15.220 4.673 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.358 14.251 5.890 1.00 0.00 H new ATOM 0 HG SER A 7 12.325 14.962 5.219 1.00 0.00 H new ATOM 91 N ILE A 8 8.835 11.567 3.228 1.00 0.00 N ATOM 92 CA ILE A 8 7.649 10.726 3.331 1.00 0.00 C ATOM 93 C ILE A 8 6.444 11.624 3.658 1.00 0.00 C ATOM 94 O ILE A 8 5.841 11.499 4.716 1.00 0.00 O ATOM 95 CB ILE A 8 7.787 9.482 4.363 1.00 0.00 C ATOM 96 CG1 ILE A 8 6.468 8.659 4.427 1.00 0.00 C ATOM 97 CG2 ILE A 8 8.272 9.859 5.768 1.00 0.00 C ATOM 98 CD1 ILE A 8 6.467 7.547 5.452 1.00 0.00 C ATOM 0 H ILE A 8 9.404 11.373 2.404 1.00 0.00 H new ATOM 0 HA ILE A 8 7.506 10.238 2.367 1.00 0.00 H new ATOM 0 HB ILE A 8 8.580 8.859 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.643 9.337 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.276 8.229 3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.332 8.962 6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.257 10.321 5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.572 10.562 6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.509 7.028 5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.267 6.842 5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.624 7.968 6.445 1.00 0.00 H new ATOM 110 N LEU A 9 6.230 12.685 2.803 1.00 0.00 N ATOM 111 CA LEU A 9 5.128 13.603 2.945 1.00 0.00 C ATOM 112 C LEU A 9 5.091 14.286 4.292 1.00 0.00 C ATOM 113 O LEU A 9 4.264 14.010 5.160 1.00 0.00 O ATOM 114 CB LEU A 9 3.786 13.035 2.434 1.00 0.00 C ATOM 115 CG LEU A 9 3.380 11.641 2.905 1.00 0.00 C ATOM 116 CD1 LEU A 9 2.789 11.665 4.287 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.481 11.001 1.910 1.00 0.00 C ATOM 0 H LEU A 9 6.837 12.894 2.010 1.00 0.00 H new ATOM 0 HA LEU A 9 5.320 14.426 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.997 13.729 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.819 13.024 1.345 1.00 0.00 H new ATOM 0 HG LEU A 9 4.279 11.029 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.514 10.653 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.522 12.062 4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.902 12.298 4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.200 10.008 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.585 11.609 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.998 10.916 0.954 1.00 0.00 H new ATOM 129 N LYS A 10 6.073 15.127 4.476 1.00 0.00 N ATOM 130 CA LYS A 10 6.242 15.926 5.676 1.00 0.00 C ATOM 131 C LYS A 10 6.192 15.141 6.992 1.00 0.00 C ATOM 132 O LYS A 10 5.290 15.336 7.807 1.00 0.00 O ATOM 133 CB LYS A 10 5.388 17.230 5.707 1.00 0.00 C ATOM 134 CG LYS A 10 3.868 17.045 5.536 1.00 0.00 C ATOM 135 CD LYS A 10 3.110 18.358 5.684 1.00 0.00 C ATOM 136 CE LYS A 10 3.529 19.388 4.643 1.00 0.00 C ATOM 137 NZ LYS A 10 2.790 20.654 4.800 1.00 0.00 N ATOM 0 H LYS A 10 6.802 15.285 3.780 1.00 0.00 H new ATOM 0 HA LYS A 10 7.276 16.262 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.568 17.736 6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.744 17.893 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.664 16.618 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.505 16.332 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.040 18.169 5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.280 18.763 6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.599 19.578 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.356 18.987 3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.102 21.330 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.771 20.477 4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.975 21.049 5.744 1.00 0.00 H new ATOM 151 N MET A 11 7.137 14.213 7.145 1.00 0.00 N ATOM 152 CA MET A 11 7.324 13.442 8.377 1.00 0.00 C ATOM 153 C MET A 11 6.119 12.486 8.611 1.00 0.00 C ATOM 154 O MET A 11 5.692 12.265 9.744 1.00 0.00 O ATOM 155 CB MET A 11 7.537 14.420 9.574 1.00 0.00 C ATOM 156 CG MET A 11 7.986 13.773 10.880 1.00 0.00 C ATOM 157 SD MET A 11 8.223 14.977 12.208 1.00 0.00 S ATOM 158 CE MET A 11 9.524 16.006 11.519 1.00 0.00 C ATOM 0 H MET A 11 7.802 13.972 6.410 1.00 0.00 H new ATOM 0 HA MET A 11 8.213 12.817 8.288 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.278 15.165 9.284 1.00 0.00 H new ATOM 0 HB3 MET A 11 6.604 14.953 9.755 1.00 0.00 H new ATOM 0 HG2 MET A 11 7.244 13.037 11.190 1.00 0.00 H new ATOM 0 HG3 MET A 11 8.919 13.234 10.712 1.00 0.00 H new ATOM 0 HE1 MET A 11 10.008 16.565 12.320 1.00 0.00 H new ATOM 0 HE2 MET A 11 10.260 15.376 11.019 1.00 0.00 H new ATOM 0 HE3 MET A 11 9.094 16.702 10.799 1.00 0.00 H new ATOM 168 N THR A 12 5.591 11.909 7.505 1.00 0.00 N ATOM 169 CA THR A 12 4.505 10.924 7.553 1.00 0.00 C ATOM 170 C THR A 12 3.157 11.604 7.948 1.00 0.00 C ATOM 171 O THR A 12 2.317 11.017 8.645 1.00 0.00 O ATOM 172 CB THR A 12 4.868 9.757 8.541 1.00 0.00 C ATOM 173 OG1 THR A 12 6.231 9.354 8.288 1.00 0.00 O ATOM 174 CG2 THR A 12 3.975 8.536 8.313 1.00 0.00 C ATOM 0 H THR A 12 5.912 12.119 6.560 1.00 0.00 H new ATOM 0 HA THR A 12 4.379 10.497 6.558 1.00 0.00 H new ATOM 0 HB THR A 12 4.729 10.115 9.561 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.476 8.627 8.898 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.252 7.747 9.012 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.933 8.813 8.472 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.103 8.177 7.292 1.00 0.00 H new ATOM 182 N LYS A 13 2.930 12.831 7.478 1.00 0.00 N ATOM 183 CA LYS A 13 1.669 13.467 7.763 1.00 0.00 C ATOM 184 C LYS A 13 0.634 13.201 6.673 1.00 0.00 C ATOM 185 O LYS A 13 0.064 12.114 6.637 1.00 0.00 O ATOM 186 CB LYS A 13 1.795 14.952 8.102 1.00 0.00 C ATOM 187 CG LYS A 13 2.559 15.210 9.390 1.00 0.00 C ATOM 188 CD LYS A 13 2.586 16.683 9.747 1.00 0.00 C ATOM 189 CE LYS A 13 1.189 17.218 9.994 1.00 0.00 C ATOM 190 NZ LYS A 13 1.202 18.639 10.378 1.00 0.00 N ATOM 0 H LYS A 13 3.584 13.378 6.919 1.00 0.00 H new ATOM 0 HA LYS A 13 1.300 12.997 8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.297 15.464 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.798 15.385 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.100 14.648 10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.580 14.843 9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.197 16.832 10.637 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.055 17.246 8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.588 17.091 9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.711 16.634 10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.227 18.964 10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.754 18.758 11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.634 19.200 9.617 1.00 0.00 H new ATOM 204 N LYS A 14 0.445 14.143 5.741 1.00 0.00 N ATOM 205 CA LYS A 14 -0.597 14.017 4.700 1.00 0.00 C ATOM 206 C LYS A 14 -0.221 14.859 3.453 1.00 0.00 C ATOM 207 O LYS A 14 0.893 15.395 3.379 1.00 0.00 O ATOM 208 CB LYS A 14 -1.962 14.536 5.233 1.00 0.00 C ATOM 209 CG LYS A 14 -2.613 13.693 6.315 1.00 0.00 C ATOM 210 CD LYS A 14 -3.827 14.381 6.908 1.00 0.00 C ATOM 211 CE LYS A 14 -4.449 13.537 8.007 1.00 0.00 C ATOM 212 NZ LYS A 14 -5.178 12.362 7.492 1.00 0.00 N ATOM 0 H LYS A 14 0.995 15.000 5.682 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.673 12.963 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.819 15.544 5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.653 14.613 4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.908 12.730 5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.888 13.490 7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.539 15.352 7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.563 14.565 6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.666 13.202 8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.133 14.155 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.067 11.567 8.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.187 12.594 7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.794 12.095 6.563 1.00 0.00 H new ATOM 226 N GLY A 15 -1.156 14.972 2.478 1.00 0.00 N ATOM 227 CA GLY A 15 -0.987 15.853 1.336 1.00 0.00 C ATOM 228 C GLY A 15 -0.465 15.180 0.064 1.00 0.00 C ATOM 229 O GLY A 15 -1.071 15.329 -0.999 1.00 0.00 O ATOM 0 H GLY A 15 -2.034 14.453 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.946 16.320 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.300 16.652 1.613 1.00 0.00 H new ATOM 233 N LYS A 16 0.628 14.442 0.151 1.00 0.00 N ATOM 234 CA LYS A 16 1.220 13.832 -1.008 1.00 0.00 C ATOM 235 C LYS A 16 0.547 12.503 -1.348 1.00 0.00 C ATOM 236 O LYS A 16 0.238 11.703 -0.460 1.00 0.00 O ATOM 237 CB LYS A 16 2.720 13.657 -0.735 1.00 0.00 C ATOM 238 CG LYS A 16 3.495 12.760 -1.693 1.00 0.00 C ATOM 239 CD LYS A 16 3.529 13.264 -3.121 1.00 0.00 C ATOM 240 CE LYS A 16 4.196 12.230 -4.006 1.00 0.00 C ATOM 241 NZ LYS A 16 4.176 12.597 -5.423 1.00 0.00 N ATOM 0 H LYS A 16 1.121 14.255 1.024 1.00 0.00 H new ATOM 0 HA LYS A 16 1.077 14.472 -1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.184 14.643 -0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.837 13.258 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.518 12.658 -1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.051 11.764 -1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.516 13.460 -3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.073 14.207 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.229 12.096 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.695 11.271 -3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.238 11.737 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.291 13.099 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.985 13.216 -5.633 1.00 0.00 H new ATOM 255 N THR A 17 0.285 12.310 -2.618 1.00 0.00 N ATOM 256 CA THR A 17 -0.235 11.074 -3.120 1.00 0.00 C ATOM 257 C THR A 17 0.868 10.006 -3.015 1.00 0.00 C ATOM 258 O THR A 17 1.909 10.108 -3.671 1.00 0.00 O ATOM 259 CB THR A 17 -0.628 11.243 -4.595 1.00 0.00 C ATOM 260 OG1 THR A 17 -1.511 12.380 -4.753 1.00 0.00 O ATOM 261 CG2 THR A 17 -1.314 9.993 -5.118 1.00 0.00 C ATOM 0 H THR A 17 0.431 13.020 -3.336 1.00 0.00 H new ATOM 0 HA THR A 17 -1.111 10.777 -2.544 1.00 0.00 H new ATOM 0 HB THR A 17 0.284 11.410 -5.169 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.753 12.478 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.583 10.136 -6.164 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.637 9.143 -5.030 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.215 9.801 -4.535 1.00 0.00 H new ATOM 269 N LEU A 18 0.659 9.007 -2.207 1.00 0.00 N ATOM 270 CA LEU A 18 1.686 8.017 -2.008 1.00 0.00 C ATOM 271 C LEU A 18 1.217 6.699 -2.642 1.00 0.00 C ATOM 272 O LEU A 18 0.331 6.016 -2.165 1.00 0.00 O ATOM 273 CB LEU A 18 2.024 7.887 -0.494 1.00 0.00 C ATOM 274 CG LEU A 18 3.427 7.373 -0.032 1.00 0.00 C ATOM 275 CD1 LEU A 18 3.804 6.032 -0.506 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.576 8.354 -0.198 1.00 0.00 C ATOM 0 H LEU A 18 -0.201 8.854 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 18 2.615 8.312 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.879 8.871 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.279 7.224 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 18 3.257 7.280 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.794 5.777 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.079 5.302 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.820 6.022 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.500 7.895 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.679 8.619 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.374 9.253 0.384 1.00 0.00 H new ATOM 288 N MET A 19 1.755 6.435 -3.762 1.00 0.00 N ATOM 289 CA MET A 19 1.512 5.211 -4.511 1.00 0.00 C ATOM 290 C MET A 19 2.432 4.145 -4.002 1.00 0.00 C ATOM 291 O MET A 19 3.654 4.316 -4.020 1.00 0.00 O ATOM 292 CB MET A 19 1.750 5.458 -6.019 1.00 0.00 C ATOM 293 CG MET A 19 2.129 4.238 -6.848 1.00 0.00 C ATOM 294 SD MET A 19 2.524 4.689 -8.548 1.00 0.00 S ATOM 295 CE MET A 19 3.387 3.221 -9.104 1.00 0.00 C ATOM 0 H MET A 19 2.406 7.070 -4.225 1.00 0.00 H new ATOM 0 HA MET A 19 0.478 4.892 -4.378 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.844 5.892 -6.442 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.539 6.202 -6.124 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.986 3.741 -6.394 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.306 3.523 -6.842 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.694 3.351 -10.142 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.268 3.059 -8.482 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.725 2.359 -9.027 1.00 0.00 H new ATOM 305 N MET A 20 1.892 3.086 -3.506 1.00 0.00 N ATOM 306 CA MET A 20 2.733 2.046 -3.045 1.00 0.00 C ATOM 307 C MET A 20 2.638 0.846 -3.930 1.00 0.00 C ATOM 308 O MET A 20 1.583 0.188 -3.994 1.00 0.00 O ATOM 309 CB MET A 20 2.439 1.696 -1.615 1.00 0.00 C ATOM 310 CG MET A 20 3.462 0.763 -0.998 1.00 0.00 C ATOM 311 SD MET A 20 3.217 0.565 0.773 1.00 0.00 S ATOM 312 CE MET A 20 2.996 2.286 1.247 1.00 0.00 C ATOM 0 H MET A 20 0.890 2.922 -3.411 1.00 0.00 H new ATOM 0 HA MET A 20 3.760 2.408 -3.086 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.394 2.613 -1.027 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.455 1.232 -1.558 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.402 -0.211 -1.483 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.464 1.150 -1.184 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.898 2.646 1.741 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.805 2.887 0.358 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.150 2.370 1.930 1.00 0.00 H new ATOM 322 N PHE A 21 3.727 0.624 -4.644 1.00 0.00 N ATOM 323 CA PHE A 21 3.952 -0.516 -5.506 1.00 0.00 C ATOM 324 C PHE A 21 4.636 -1.525 -4.619 1.00 0.00 C ATOM 325 O PHE A 21 5.735 -1.277 -4.105 1.00 0.00 O ATOM 326 CB PHE A 21 4.863 -0.067 -6.676 1.00 0.00 C ATOM 327 CG PHE A 21 5.307 -1.098 -7.705 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.086 -2.190 -7.350 1.00 0.00 C ATOM 329 CD2 PHE A 21 4.986 -0.927 -9.050 1.00 0.00 C ATOM 330 CE1 PHE A 21 6.522 -3.090 -8.296 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.421 -1.831 -10.003 1.00 0.00 C ATOM 332 CZ PHE A 21 6.188 -2.913 -9.623 1.00 0.00 C ATOM 0 H PHE A 21 4.517 1.269 -4.636 1.00 0.00 H new ATOM 0 HA PHE A 21 3.046 -0.934 -5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.344 0.728 -7.210 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.761 0.373 -6.243 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.355 -2.336 -6.314 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.390 -0.078 -9.352 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.126 -3.935 -7.999 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.161 -1.690 -11.042 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.527 -3.622 -10.364 1.00 0.00 H new ATOM 342 N VAL A 22 4.000 -2.606 -4.401 1.00 0.00 N ATOM 343 CA VAL A 22 4.446 -3.539 -3.410 1.00 0.00 C ATOM 344 C VAL A 22 4.569 -4.958 -3.918 1.00 0.00 C ATOM 345 O VAL A 22 3.646 -5.480 -4.549 1.00 0.00 O ATOM 346 CB VAL A 22 3.518 -3.455 -2.148 1.00 0.00 C ATOM 347 CG1 VAL A 22 2.139 -2.935 -2.538 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.366 -4.814 -1.481 1.00 0.00 C ATOM 0 H VAL A 22 3.153 -2.884 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 22 5.460 -3.251 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 22 3.986 -2.768 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.506 -2.882 -1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.235 -1.941 -2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.688 -3.609 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.717 -4.721 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.927 -5.519 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.345 -5.177 -1.167 1.00 0.00 H new ATOM 358 N THR A 23 5.722 -5.552 -3.632 1.00 0.00 N ATOM 359 CA THR A 23 5.996 -6.918 -3.913 1.00 0.00 C ATOM 360 C THR A 23 5.455 -7.865 -2.737 1.00 0.00 C ATOM 361 O THR A 23 5.557 -7.492 -1.534 1.00 0.00 O ATOM 362 CB THR A 23 7.513 -7.112 -4.130 1.00 0.00 C ATOM 363 OG1 THR A 23 7.912 -6.516 -5.374 1.00 0.00 O ATOM 364 CG2 THR A 23 7.951 -8.572 -4.054 1.00 0.00 C ATOM 0 H THR A 23 6.500 -5.066 -3.186 1.00 0.00 H new ATOM 0 HA THR A 23 5.474 -7.201 -4.827 1.00 0.00 H new ATOM 0 HB THR A 23 8.020 -6.606 -3.308 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.581 -5.820 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.027 -8.638 -4.215 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.706 -8.975 -3.071 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.433 -9.148 -4.821 1.00 0.00 H new ATOM 372 N VAL A 24 4.944 -9.070 -3.118 1.00 0.00 N ATOM 373 CA VAL A 24 4.327 -10.095 -2.338 1.00 0.00 C ATOM 374 C VAL A 24 5.145 -11.414 -2.702 1.00 0.00 C ATOM 375 O VAL A 24 5.430 -11.595 -3.877 1.00 0.00 O ATOM 376 CB VAL A 24 2.869 -10.151 -2.902 1.00 0.00 C ATOM 377 CG1 VAL A 24 2.177 -11.411 -2.619 1.00 0.00 C ATOM 378 CG2 VAL A 24 2.040 -8.999 -2.376 1.00 0.00 C ATOM 0 H VAL A 24 4.976 -9.343 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 24 4.315 -9.956 -1.257 1.00 0.00 H new ATOM 0 HB VAL A 24 2.975 -10.075 -3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.172 -11.377 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.730 -12.238 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.114 -11.557 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.031 -9.061 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.996 -9.049 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.495 -8.056 -2.677 1.00 0.00 H new ATOM 388 N SER A 25 5.567 -12.314 -1.757 1.00 0.00 N ATOM 389 CA SER A 25 6.512 -13.374 -2.204 1.00 0.00 C ATOM 390 C SER A 25 6.027 -14.832 -2.105 1.00 0.00 C ATOM 391 O SER A 25 6.604 -15.693 -2.778 1.00 0.00 O ATOM 392 CB SER A 25 7.860 -13.232 -1.487 1.00 0.00 C ATOM 393 OG SER A 25 8.866 -14.072 -2.036 1.00 0.00 O ATOM 0 H SER A 25 5.296 -12.329 -0.774 1.00 0.00 H new ATOM 0 HA SER A 25 6.603 -13.191 -3.275 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.189 -12.194 -1.543 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.732 -13.469 -0.431 1.00 0.00 H new ATOM 0 HG SER A 25 8.446 -14.834 -2.487 1.00 0.00 H new ATOM 399 N GLY A 26 5.037 -15.125 -1.275 1.00 0.00 N ATOM 400 CA GLY A 26 4.585 -16.512 -1.090 1.00 0.00 C ATOM 401 C GLY A 26 4.234 -17.239 -2.395 1.00 0.00 C ATOM 402 O GLY A 26 4.648 -18.378 -2.596 1.00 0.00 O ATOM 0 H GLY A 26 4.530 -14.435 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.366 -17.071 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.710 -16.513 -0.440 1.00 0.00 H new ATOM 406 N ASN A 27 3.507 -16.586 -3.271 1.00 0.00 N ATOM 407 CA ASN A 27 3.134 -17.157 -4.531 1.00 0.00 C ATOM 408 C ASN A 27 3.763 -16.349 -5.644 1.00 0.00 C ATOM 409 O ASN A 27 3.466 -15.173 -5.798 1.00 0.00 O ATOM 410 CB ASN A 27 1.616 -17.194 -4.670 1.00 0.00 C ATOM 411 CG ASN A 27 1.140 -17.783 -5.972 1.00 0.00 C ATOM 412 OD1 ASN A 27 0.911 -17.068 -6.946 1.00 0.00 O ATOM 413 ND2 ASN A 27 1.009 -19.083 -6.013 1.00 0.00 N ATOM 0 H ASN A 27 3.159 -15.639 -3.123 1.00 0.00 H new ATOM 0 HA ASN A 27 3.495 -18.184 -4.590 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.199 -17.773 -3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.227 -16.180 -4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.707 -19.538 -6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.209 -19.642 -5.184 1.00 0.00 H new ATOM 420 N PRO A 28 4.645 -16.957 -6.429 1.00 0.00 N ATOM 421 CA PRO A 28 5.371 -16.265 -7.493 1.00 0.00 C ATOM 422 C PRO A 28 4.620 -16.264 -8.836 1.00 0.00 C ATOM 423 O PRO A 28 5.244 -16.221 -9.906 1.00 0.00 O ATOM 424 CB PRO A 28 6.642 -17.105 -7.597 1.00 0.00 C ATOM 425 CG PRO A 28 6.199 -18.498 -7.295 1.00 0.00 C ATOM 426 CD PRO A 28 5.031 -18.384 -6.345 1.00 0.00 C ATOM 0 HA PRO A 28 5.528 -15.209 -7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.082 -17.036 -8.592 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.399 -16.768 -6.889 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.907 -19.018 -8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.009 -19.073 -6.846 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.211 -19.038 -6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.313 -18.663 -5.330 1.00 0.00 H new ATOM 434 N THR A 29 3.307 -16.266 -8.779 1.00 0.00 N ATOM 435 CA THR A 29 2.489 -16.283 -9.970 1.00 0.00 C ATOM 436 C THR A 29 1.294 -15.332 -9.780 1.00 0.00 C ATOM 437 O THR A 29 1.189 -14.690 -8.728 1.00 0.00 O ATOM 438 CB THR A 29 2.011 -17.721 -10.330 1.00 0.00 C ATOM 439 OG1 THR A 29 1.521 -18.395 -9.163 1.00 0.00 O ATOM 440 CG2 THR A 29 3.123 -18.546 -10.972 1.00 0.00 C ATOM 0 H THR A 29 2.777 -16.256 -7.907 1.00 0.00 H new ATOM 0 HA THR A 29 3.094 -15.939 -10.809 1.00 0.00 H new ATOM 0 HB THR A 29 1.204 -17.619 -11.056 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.076 -17.749 -8.575 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.748 -19.542 -11.207 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.456 -18.058 -11.888 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.961 -18.628 -10.280 1.00 0.00 H new ATOM 448 N GLU A 30 0.359 -15.284 -10.731 1.00 0.00 N ATOM 449 CA GLU A 30 -0.720 -14.307 -10.676 1.00 0.00 C ATOM 450 C GLU A 30 -1.810 -14.715 -9.659 1.00 0.00 C ATOM 451 O GLU A 30 -2.795 -13.994 -9.453 1.00 0.00 O ATOM 452 CB GLU A 30 -1.315 -14.100 -12.079 1.00 0.00 C ATOM 453 CG GLU A 30 -2.251 -12.907 -12.192 1.00 0.00 C ATOM 454 CD GLU A 30 -2.888 -12.787 -13.538 1.00 0.00 C ATOM 455 OE1 GLU A 30 -3.971 -13.373 -13.744 1.00 0.00 O ATOM 456 OE2 GLU A 30 -2.337 -12.099 -14.412 1.00 0.00 O ATOM 0 H GLU A 30 0.330 -15.905 -11.539 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.304 -13.360 -10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.500 -13.976 -12.792 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.857 -15.001 -12.368 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.030 -12.991 -11.434 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.695 -11.995 -11.977 1.00 0.00 H new ATOM 463 N LYS A 31 -1.618 -15.841 -9.002 1.00 0.00 N ATOM 464 CA LYS A 31 -2.570 -16.301 -8.026 1.00 0.00 C ATOM 465 C LYS A 31 -2.575 -15.385 -6.809 1.00 0.00 C ATOM 466 O LYS A 31 -3.650 -15.029 -6.290 1.00 0.00 O ATOM 467 CB LYS A 31 -2.341 -17.790 -7.642 1.00 0.00 C ATOM 468 CG LYS A 31 -3.390 -18.350 -6.670 1.00 0.00 C ATOM 469 CD LYS A 31 -3.073 -18.006 -5.221 1.00 0.00 C ATOM 470 CE LYS A 31 -4.335 -17.787 -4.419 1.00 0.00 C ATOM 471 NZ LYS A 31 -4.031 -17.464 -3.015 1.00 0.00 N ATOM 0 H LYS A 31 -0.810 -16.450 -9.130 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.561 -16.256 -8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.342 -18.393 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.353 -17.892 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.372 -17.953 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.444 -19.433 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.490 -18.811 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.456 -17.108 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.914 -16.977 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.955 -18.683 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.884 -17.091 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.717 -18.324 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.277 -16.749 -2.979 1.00 0.00 H new ATOM 485 N GLU A 32 -1.409 -14.989 -6.343 1.00 0.00 N ATOM 486 CA GLU A 32 -1.397 -14.129 -5.184 1.00 0.00 C ATOM 487 C GLU A 32 -1.899 -12.769 -5.598 1.00 0.00 C ATOM 488 O GLU A 32 -2.692 -12.168 -4.895 1.00 0.00 O ATOM 489 CB GLU A 32 -0.030 -14.077 -4.475 1.00 0.00 C ATOM 490 CG GLU A 32 -0.131 -14.229 -2.944 1.00 0.00 C ATOM 491 CD GLU A 32 -0.739 -15.585 -2.564 1.00 0.00 C ATOM 492 OE1 GLU A 32 -1.975 -15.797 -2.734 1.00 0.00 O ATOM 493 OE2 GLU A 32 0.008 -16.496 -2.104 1.00 0.00 O ATOM 0 H GLU A 32 -0.497 -15.236 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.064 -14.545 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.607 -14.868 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.457 -13.130 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.860 -14.134 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.743 -13.425 -2.535 1.00 0.00 H new ATOM 500 N THR A 33 -1.486 -12.350 -6.791 1.00 0.00 N ATOM 501 CA THR A 33 -1.956 -11.158 -7.440 1.00 0.00 C ATOM 502 C THR A 33 -3.502 -11.033 -7.350 1.00 0.00 C ATOM 503 O THR A 33 -4.027 -10.041 -6.833 1.00 0.00 O ATOM 504 CB THR A 33 -1.572 -11.245 -8.911 1.00 0.00 C ATOM 505 OG1 THR A 33 -0.167 -11.433 -9.000 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.952 -9.986 -9.638 1.00 0.00 C ATOM 0 H THR A 33 -0.792 -12.857 -7.340 1.00 0.00 H new ATOM 0 HA THR A 33 -1.510 -10.292 -6.950 1.00 0.00 H new ATOM 0 HB THR A 33 -2.102 -12.080 -9.370 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.270 -10.569 -9.153 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.668 -10.072 -10.687 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.029 -9.835 -9.565 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.435 -9.137 -9.190 1.00 0.00 H new ATOM 514 N GLU A 34 -4.209 -12.074 -7.793 1.00 0.00 N ATOM 515 CA GLU A 34 -5.671 -12.069 -7.836 1.00 0.00 C ATOM 516 C GLU A 34 -6.314 -12.132 -6.448 1.00 0.00 C ATOM 517 O GLU A 34 -7.305 -11.394 -6.178 1.00 0.00 O ATOM 518 CB GLU A 34 -6.188 -13.188 -8.727 1.00 0.00 C ATOM 519 CG GLU A 34 -5.808 -14.573 -8.257 1.00 0.00 C ATOM 520 CD GLU A 34 -6.354 -15.644 -9.129 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.807 -15.870 -10.235 1.00 0.00 O ATOM 522 OE2 GLU A 34 -7.347 -16.279 -8.736 1.00 0.00 O ATOM 0 H GLU A 34 -3.787 -12.939 -8.130 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.965 -11.111 -8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.274 -13.120 -8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.806 -13.041 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.722 -14.656 -8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.170 -14.719 -7.239 1.00 0.00 H new ATOM 529 N GLU A 35 -5.761 -13.001 -5.577 1.00 0.00 N ATOM 530 CA GLU A 35 -6.227 -13.177 -4.180 1.00 0.00 C ATOM 531 C GLU A 35 -6.246 -11.795 -3.547 1.00 0.00 C ATOM 532 O GLU A 35 -7.267 -11.284 -3.081 1.00 0.00 O ATOM 533 CB GLU A 35 -5.176 -14.052 -3.407 1.00 0.00 C ATOM 534 CG GLU A 35 -5.600 -14.496 -2.018 1.00 0.00 C ATOM 535 CD GLU A 35 -6.713 -15.507 -2.055 1.00 0.00 C ATOM 536 OE1 GLU A 35 -6.418 -16.717 -2.105 1.00 0.00 O ATOM 537 OE2 GLU A 35 -7.894 -15.125 -2.045 1.00 0.00 O ATOM 0 H GLU A 35 -4.975 -13.604 -5.821 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.207 -13.652 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.956 -14.938 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.248 -13.486 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.742 -14.923 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.921 -13.627 -1.444 1.00 0.00 H new ATOM 544 N ILE A 36 -5.117 -11.203 -3.628 1.00 0.00 N ATOM 545 CA ILE A 36 -4.830 -9.916 -3.133 1.00 0.00 C ATOM 546 C ILE A 36 -5.655 -8.824 -3.804 1.00 0.00 C ATOM 547 O ILE A 36 -6.044 -7.893 -3.143 1.00 0.00 O ATOM 548 CB ILE A 36 -3.350 -9.715 -3.318 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.565 -10.413 -2.207 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.919 -8.291 -3.581 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.109 -10.497 -2.499 1.00 0.00 C ATOM 0 H ILE A 36 -4.310 -11.639 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.104 -9.843 -2.081 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.093 -10.205 -4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.713 -9.876 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.961 -11.418 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.836 -8.255 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.396 -7.929 -4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.214 -7.661 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.602 -11.002 -1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.954 -11.059 -3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.702 -9.492 -2.614 1.00 0.00 H new ATOM 563 N THR A 37 -5.949 -8.937 -5.097 1.00 0.00 N ATOM 564 CA THR A 37 -6.750 -7.903 -5.736 1.00 0.00 C ATOM 565 C THR A 37 -8.108 -7.843 -5.079 1.00 0.00 C ATOM 566 O THR A 37 -8.516 -6.788 -4.585 1.00 0.00 O ATOM 567 CB THR A 37 -7.025 -8.162 -7.202 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.823 -8.466 -7.921 1.00 0.00 O ATOM 569 CG2 THR A 37 -7.696 -6.945 -7.823 1.00 0.00 C ATOM 0 H THR A 37 -5.657 -9.704 -5.702 1.00 0.00 H new ATOM 0 HA THR A 37 -6.171 -6.985 -5.633 1.00 0.00 H new ATOM 0 HB THR A 37 -7.685 -9.027 -7.269 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.377 -9.232 -7.504 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.892 -7.136 -8.878 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.637 -6.747 -7.309 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.041 -6.079 -7.727 1.00 0.00 H new ATOM 577 N SER A 38 -8.789 -8.986 -5.046 1.00 0.00 N ATOM 578 CA SER A 38 -10.113 -9.009 -4.512 1.00 0.00 C ATOM 579 C SER A 38 -10.122 -8.693 -3.021 1.00 0.00 C ATOM 580 O SER A 38 -10.810 -7.764 -2.612 1.00 0.00 O ATOM 581 CB SER A 38 -10.870 -10.303 -4.887 1.00 0.00 C ATOM 582 OG SER A 38 -10.896 -10.464 -6.303 1.00 0.00 O ATOM 0 H SER A 38 -8.439 -9.884 -5.380 1.00 0.00 H new ATOM 0 HA SER A 38 -10.678 -8.206 -4.985 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.386 -11.163 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.888 -10.263 -4.499 1.00 0.00 H new ATOM 0 HG SER A 38 -11.376 -11.288 -6.530 1.00 0.00 H new ATOM 588 N LEU A 39 -9.256 -9.349 -2.238 1.00 0.00 N ATOM 589 CA LEU A 39 -9.251 -9.140 -0.812 1.00 0.00 C ATOM 590 C LEU A 39 -8.827 -7.736 -0.498 1.00 0.00 C ATOM 591 O LEU A 39 -9.604 -6.960 0.087 1.00 0.00 O ATOM 592 CB LEU A 39 -8.341 -10.145 -0.113 1.00 0.00 C ATOM 593 CG LEU A 39 -8.760 -11.606 -0.235 1.00 0.00 C ATOM 594 CD1 LEU A 39 -7.751 -12.500 0.440 1.00 0.00 C ATOM 595 CD2 LEU A 39 -10.140 -11.815 0.366 1.00 0.00 C ATOM 0 H LEU A 39 -8.564 -10.018 -2.576 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.264 -9.293 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.334 -10.039 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.289 -9.887 0.945 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.801 -11.867 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.064 -13.540 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.777 -12.370 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.681 -12.238 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.424 -12.863 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.123 -11.538 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.864 -11.194 -0.161 1.00 0.00 H new ATOM 607 N TRP A 40 -7.640 -7.369 -0.968 1.00 0.00 N ATOM 608 CA TRP A 40 -7.124 -6.073 -0.691 1.00 0.00 C ATOM 609 C TRP A 40 -7.917 -5.036 -1.414 1.00 0.00 C ATOM 610 O TRP A 40 -8.755 -4.434 -0.801 1.00 0.00 O ATOM 611 CB TRP A 40 -5.632 -5.883 -1.002 1.00 0.00 C ATOM 612 CG TRP A 40 -4.672 -6.797 -0.293 1.00 0.00 C ATOM 613 CD1 TRP A 40 -4.943 -7.755 0.648 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.265 -6.824 -0.498 1.00 0.00 C ATOM 615 NE1 TRP A 40 -3.777 -8.388 1.015 1.00 0.00 N ATOM 616 CE2 TRP A 40 -2.734 -7.828 0.322 1.00 0.00 C ATOM 617 CE3 TRP A 40 -2.401 -6.089 -1.316 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -1.372 -8.121 0.346 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.055 -6.382 -1.292 1.00 0.00 C ATOM 620 CH2 TRP A 40 -0.551 -7.391 -0.468 1.00 0.00 C ATOM 0 H TRP A 40 -7.035 -7.961 -1.537 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.219 -5.960 0.389 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.490 -6.007 -2.076 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.363 -4.854 -0.762 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.923 -7.980 1.042 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.701 -9.148 1.691 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.782 -5.306 -1.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -0.979 -8.898 0.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.378 -5.822 -1.921 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.509 -7.599 -0.474 1.00 0.00 H new ATOM 631 N GLN A 41 -7.774 -4.879 -2.758 1.00 0.00 N ATOM 632 CA GLN A 41 -8.365 -3.690 -3.349 1.00 0.00 C ATOM 633 C GLN A 41 -9.894 -3.750 -3.398 1.00 0.00 C ATOM 634 O GLN A 41 -10.559 -2.692 -3.494 1.00 0.00 O ATOM 635 CB GLN A 41 -7.635 -3.130 -4.641 1.00 0.00 C ATOM 636 CG GLN A 41 -8.005 -3.721 -5.998 1.00 0.00 C ATOM 637 CD GLN A 41 -9.113 -2.916 -6.674 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.290 -3.184 -6.485 1.00 0.00 O ATOM 639 NE2 GLN A 41 -8.739 -1.914 -7.457 1.00 0.00 N ATOM 0 H GLN A 41 -7.292 -5.515 -3.394 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.154 -2.884 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.817 -2.056 -4.686 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.563 -3.266 -4.501 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.124 -3.741 -6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.330 -4.754 -5.870 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.748 -1.716 -7.594 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.442 -1.341 -7.922 1.00 0.00 H new ATOM 648 N GLY A 42 -10.453 -4.970 -3.215 1.00 0.00 N ATOM 649 CA GLY A 42 -11.858 -5.118 -3.072 1.00 0.00 C ATOM 650 C GLY A 42 -12.299 -4.494 -1.793 1.00 0.00 C ATOM 651 O GLY A 42 -13.187 -3.649 -1.799 1.00 0.00 O ATOM 0 H GLY A 42 -9.926 -5.842 -3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.370 -4.650 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.126 -6.175 -3.084 1.00 0.00 H new ATOM 655 N SER A 43 -11.643 -4.857 -0.685 1.00 0.00 N ATOM 656 CA SER A 43 -11.956 -4.250 0.585 1.00 0.00 C ATOM 657 C SER A 43 -11.477 -2.783 0.594 1.00 0.00 C ATOM 658 O SER A 43 -12.070 -1.933 1.253 1.00 0.00 O ATOM 659 CB SER A 43 -11.349 -5.056 1.748 1.00 0.00 C ATOM 660 OG SER A 43 -11.676 -4.490 3.021 1.00 0.00 O ATOM 0 H SER A 43 -10.904 -5.560 -0.655 1.00 0.00 H new ATOM 0 HA SER A 43 -13.037 -4.257 0.725 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.710 -6.083 1.704 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.265 -5.094 1.636 1.00 0.00 H new ATOM 0 HG SER A 43 -11.274 -5.031 3.732 1.00 0.00 H new ATOM 666 N LEU A 44 -10.439 -2.481 -0.194 1.00 0.00 N ATOM 667 CA LEU A 44 -9.924 -1.124 -0.304 1.00 0.00 C ATOM 668 C LEU A 44 -10.990 -0.203 -0.924 1.00 0.00 C ATOM 669 O LEU A 44 -11.024 1.003 -0.656 1.00 0.00 O ATOM 670 CB LEU A 44 -8.571 -1.039 -1.096 1.00 0.00 C ATOM 671 CG LEU A 44 -7.413 -1.959 -0.667 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.040 -1.581 -1.303 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.355 -2.134 0.839 1.00 0.00 C ATOM 0 H LEU A 44 -9.942 -3.165 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.700 -0.784 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.787 -1.244 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.216 -0.010 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.639 -2.941 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.274 -2.274 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.114 -1.639 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.771 -0.566 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.524 -2.790 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.212 -1.163 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.288 -2.575 1.190 1.00 0.00 H new ATOM 685 N PHE A 45 -11.862 -0.769 -1.757 1.00 0.00 N ATOM 686 CA PHE A 45 -12.982 -0.006 -2.298 1.00 0.00 C ATOM 687 C PHE A 45 -14.240 -0.210 -1.432 1.00 0.00 C ATOM 688 O PHE A 45 -15.091 0.675 -1.327 1.00 0.00 O ATOM 689 CB PHE A 45 -13.260 -0.396 -3.761 1.00 0.00 C ATOM 690 CG PHE A 45 -14.337 0.425 -4.423 1.00 0.00 C ATOM 691 CD1 PHE A 45 -14.102 1.746 -4.768 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.584 -0.120 -4.689 1.00 0.00 C ATOM 693 CE1 PHE A 45 -15.087 2.507 -5.365 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.573 0.637 -5.286 1.00 0.00 C ATOM 695 CZ PHE A 45 -16.323 1.954 -5.625 1.00 0.00 C ATOM 0 H PHE A 45 -11.815 -1.739 -2.068 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.715 1.051 -2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.338 -0.296 -4.334 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.545 -1.447 -3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -13.136 2.186 -4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.784 -1.148 -4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.889 3.536 -5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.540 0.201 -5.488 1.00 0.00 H new ATOM 0 HZ PHE A 45 -17.094 2.548 -6.092 1.00 0.00 H new ATOM 705 N ASN A 46 -14.333 -1.357 -0.791 1.00 0.00 N ATOM 706 CA ASN A 46 -15.505 -1.703 0.012 1.00 0.00 C ATOM 707 C ASN A 46 -15.541 -0.899 1.312 1.00 0.00 C ATOM 708 O ASN A 46 -16.608 -0.570 1.817 1.00 0.00 O ATOM 709 CB ASN A 46 -15.576 -3.224 0.268 1.00 0.00 C ATOM 710 CG ASN A 46 -16.876 -3.665 0.911 1.00 0.00 C ATOM 711 OD1 ASN A 46 -17.000 -3.724 2.131 1.00 0.00 O ATOM 712 ND2 ASN A 46 -17.842 -4.003 0.099 1.00 0.00 N ATOM 0 H ASN A 46 -13.609 -2.075 -0.806 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.395 -1.432 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.450 -3.751 -0.678 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.744 -3.517 0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.733 -4.328 0.474 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.705 -3.942 -0.910 1.00 0.00 H new ATOM 719 N ALA A 47 -14.367 -0.534 1.824 1.00 0.00 N ATOM 720 CA ALA A 47 -14.269 0.301 3.015 1.00 0.00 C ATOM 721 C ALA A 47 -14.242 1.767 2.608 1.00 0.00 C ATOM 722 O ALA A 47 -13.935 2.644 3.417 1.00 0.00 O ATOM 723 CB ALA A 47 -13.033 -0.052 3.829 1.00 0.00 C ATOM 0 H ALA A 47 -13.467 -0.806 1.429 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.141 0.120 3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.984 0.586 4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.087 -1.096 4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.141 0.101 3.221 1.00 0.00 H new ATOM 729 N ASN A 48 -14.561 2.000 1.326 1.00 0.00 N ATOM 730 CA ASN A 48 -14.683 3.320 0.700 1.00 0.00 C ATOM 731 C ASN A 48 -13.536 4.287 1.041 1.00 0.00 C ATOM 732 O ASN A 48 -13.784 5.472 1.320 1.00 0.00 O ATOM 733 CB ASN A 48 -16.093 3.973 0.964 1.00 0.00 C ATOM 734 CG ASN A 48 -16.460 4.228 2.434 1.00 0.00 C ATOM 735 OD1 ASN A 48 -17.038 3.371 3.098 1.00 0.00 O ATOM 736 ND2 ASN A 48 -16.164 5.404 2.933 1.00 0.00 N ATOM 0 H ASN A 48 -14.748 1.240 0.672 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.597 3.133 -0.370 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.135 4.923 0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.856 3.328 0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.414 5.627 3.896 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.684 6.096 2.358 1.00 0.00 H new ATOM 743 N TYR A 49 -12.266 3.829 1.004 1.00 0.00 N ATOM 744 CA TYR A 49 -11.205 4.739 1.265 1.00 0.00 C ATOM 745 C TYR A 49 -10.921 5.508 -0.075 1.00 0.00 C ATOM 746 O TYR A 49 -11.165 4.933 -1.145 1.00 0.00 O ATOM 747 CB TYR A 49 -9.956 3.973 1.717 1.00 0.00 C ATOM 748 CG TYR A 49 -9.883 3.502 3.144 1.00 0.00 C ATOM 749 CD1 TYR A 49 -10.086 4.356 4.222 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.574 2.183 3.403 1.00 0.00 C ATOM 751 CE1 TYR A 49 -9.981 3.886 5.524 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.459 1.705 4.684 1.00 0.00 C ATOM 753 CZ TYR A 49 -9.661 2.555 5.748 1.00 0.00 C ATOM 754 OH TYR A 49 -9.543 2.075 7.038 1.00 0.00 O ATOM 0 H TYR A 49 -11.988 2.869 0.802 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.472 5.435 2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.851 3.100 1.073 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.091 4.610 1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.327 5.394 4.045 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.418 1.508 2.575 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.147 4.553 6.357 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.211 0.668 4.857 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.315 1.122 7.013 1.00 0.00 H new ATOM 764 N ASP A 50 -10.428 6.761 -0.058 1.00 0.00 N ATOM 765 CA ASP A 50 -10.185 7.485 -1.313 1.00 0.00 C ATOM 766 C ASP A 50 -8.814 7.128 -1.879 1.00 0.00 C ATOM 767 O ASP A 50 -7.788 7.729 -1.522 1.00 0.00 O ATOM 768 CB ASP A 50 -10.355 8.996 -1.116 1.00 0.00 C ATOM 769 CG ASP A 50 -9.996 9.801 -2.338 1.00 0.00 C ATOM 770 OD1 ASP A 50 -10.453 9.459 -3.451 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.270 10.816 -2.203 1.00 0.00 O ATOM 0 H ASP A 50 -10.196 7.279 0.789 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.930 7.175 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.389 9.206 -0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.733 9.319 -0.281 1.00 0.00 H new ATOM 776 N VAL A 51 -8.793 6.067 -2.661 1.00 0.00 N ATOM 777 CA VAL A 51 -7.561 5.476 -3.183 1.00 0.00 C ATOM 778 C VAL A 51 -7.742 4.841 -4.575 1.00 0.00 C ATOM 779 O VAL A 51 -8.849 4.725 -5.089 1.00 0.00 O ATOM 780 CB VAL A 51 -7.035 4.397 -2.209 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.330 4.989 -1.010 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.183 3.595 -1.731 1.00 0.00 C ATOM 0 H VAL A 51 -9.638 5.580 -2.960 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.845 6.292 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.312 3.787 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.981 4.186 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.478 5.581 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.021 5.627 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.829 2.828 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.892 4.245 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.674 3.121 -2.581 1.00 0.00 H new ATOM 792 N GLN A 52 -6.645 4.380 -5.123 1.00 0.00 N ATOM 793 CA GLN A 52 -6.558 3.710 -6.432 1.00 0.00 C ATOM 794 C GLN A 52 -5.574 2.574 -6.255 1.00 0.00 C ATOM 795 O GLN A 52 -4.483 2.785 -5.800 1.00 0.00 O ATOM 796 CB GLN A 52 -6.032 4.742 -7.414 1.00 0.00 C ATOM 797 CG GLN A 52 -5.759 4.276 -8.810 1.00 0.00 C ATOM 798 CD GLN A 52 -5.186 5.408 -9.623 1.00 0.00 C ATOM 799 OE1 GLN A 52 -5.921 6.166 -10.280 1.00 0.00 O ATOM 800 NE2 GLN A 52 -3.893 5.574 -9.549 1.00 0.00 N ATOM 0 H GLN A 52 -5.738 4.456 -4.662 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.509 3.321 -6.796 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.752 5.559 -7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.109 5.155 -7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.062 3.438 -8.794 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.679 3.916 -9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.327 4.929 -8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.449 6.349 -10.042 1.00 0.00 H new ATOM 809 N ARG A 53 -5.975 1.371 -6.536 1.00 0.00 N ATOM 810 CA ARG A 53 -5.153 0.224 -6.204 1.00 0.00 C ATOM 811 C ARG A 53 -5.147 -0.732 -7.377 1.00 0.00 C ATOM 812 O ARG A 53 -6.189 -1.018 -7.943 1.00 0.00 O ATOM 813 CB ARG A 53 -5.634 -0.472 -4.899 1.00 0.00 C ATOM 814 CG ARG A 53 -5.895 0.444 -3.701 1.00 0.00 C ATOM 815 CD ARG A 53 -7.184 1.154 -3.844 1.00 0.00 C ATOM 816 NE ARG A 53 -8.325 0.254 -4.089 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.387 0.560 -4.871 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.508 1.775 -5.400 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.329 -0.339 -5.087 1.00 0.00 N ATOM 0 H ARG A 53 -6.860 1.148 -6.992 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.134 0.560 -6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.552 -1.017 -5.120 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.887 -1.210 -4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.901 -0.145 -2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.086 1.168 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.374 1.732 -2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.109 1.865 -4.666 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.314 -0.661 -3.639 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.798 2.484 -5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.311 1.998 -5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.257 -1.265 -4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.129 -0.108 -5.676 1.00 0.00 H new ATOM 833 N PHE A 54 -3.995 -1.244 -7.712 1.00 0.00 N ATOM 834 CA PHE A 54 -3.823 -1.919 -9.020 1.00 0.00 C ATOM 835 C PHE A 54 -3.102 -3.230 -8.998 1.00 0.00 C ATOM 836 O PHE A 54 -2.313 -3.517 -8.090 1.00 0.00 O ATOM 837 CB PHE A 54 -3.113 -1.039 -10.053 1.00 0.00 C ATOM 838 CG PHE A 54 -3.903 0.091 -10.617 1.00 0.00 C ATOM 839 CD1 PHE A 54 -5.208 -0.090 -11.040 1.00 0.00 C ATOM 840 CD2 PHE A 54 -3.327 1.327 -10.751 1.00 0.00 C ATOM 841 CE1 PHE A 54 -5.918 0.956 -11.583 1.00 0.00 C ATOM 842 CE2 PHE A 54 -4.018 2.368 -11.291 1.00 0.00 C ATOM 843 CZ PHE A 54 -5.322 2.192 -11.711 1.00 0.00 C ATOM 0 H PHE A 54 -3.160 -1.221 -7.127 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.859 -2.111 -9.298 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.213 -0.630 -9.593 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.789 -1.674 -10.877 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.673 -1.060 -10.943 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.309 1.478 -10.423 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.938 0.809 -11.907 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.545 3.334 -11.391 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.871 3.018 -12.137 1.00 0.00 H new ATOM 853 N ILE A 55 -3.423 -4.035 -9.999 1.00 0.00 N ATOM 854 CA ILE A 55 -2.645 -5.193 -10.343 1.00 0.00 C ATOM 855 C ILE A 55 -1.481 -4.652 -11.145 1.00 0.00 C ATOM 856 O ILE A 55 -1.684 -3.940 -12.133 1.00 0.00 O ATOM 857 CB ILE A 55 -3.413 -6.158 -11.276 1.00 0.00 C ATOM 858 CG1 ILE A 55 -4.633 -6.761 -10.603 1.00 0.00 C ATOM 859 CG2 ILE A 55 -2.489 -7.262 -11.808 1.00 0.00 C ATOM 860 CD1 ILE A 55 -5.419 -7.628 -11.549 1.00 0.00 C ATOM 0 H ILE A 55 -4.239 -3.893 -10.594 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.373 -5.738 -9.439 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.768 -5.565 -12.119 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.319 -7.352 -9.743 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.272 -5.963 -10.225 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.055 -7.926 -12.461 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.670 -6.812 -12.369 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.085 -7.833 -10.972 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.284 -8.041 -11.030 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.755 -7.030 -12.396 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.788 -8.441 -11.907 1.00 0.00 H new ATOM 872 N VAL A 56 -0.300 -4.947 -10.736 1.00 0.00 N ATOM 873 CA VAL A 56 0.865 -4.448 -11.413 1.00 0.00 C ATOM 874 C VAL A 56 1.866 -5.557 -11.644 1.00 0.00 C ATOM 875 O VAL A 56 2.812 -5.403 -12.420 1.00 0.00 O ATOM 876 CB VAL A 56 1.515 -3.228 -10.686 1.00 0.00 C ATOM 877 CG1 VAL A 56 0.620 -1.980 -10.805 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.766 -3.555 -9.220 1.00 0.00 C ATOM 0 H VAL A 56 -0.103 -5.537 -9.928 1.00 0.00 H new ATOM 0 HA VAL A 56 0.534 -4.077 -12.383 1.00 0.00 H new ATOM 0 HB VAL A 56 2.469 -3.015 -11.168 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.093 -1.143 -10.291 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.483 -1.730 -11.857 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.350 -2.183 -10.351 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.219 -2.695 -8.728 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.820 -3.795 -8.734 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.438 -4.410 -9.148 1.00 0.00 H new ATOM 888 N GLY A 57 1.692 -6.675 -10.946 1.00 0.00 N ATOM 889 CA GLY A 57 2.539 -7.800 -11.247 1.00 0.00 C ATOM 890 C GLY A 57 2.065 -9.096 -10.651 1.00 0.00 C ATOM 891 O GLY A 57 1.274 -9.112 -9.700 1.00 0.00 O ATOM 0 H GLY A 57 1.005 -6.815 -10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.606 -7.912 -12.329 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.546 -7.592 -10.885 1.00 0.00 H new ATOM 895 N SER A 58 2.595 -10.169 -11.159 1.00 0.00 N ATOM 896 CA SER A 58 2.282 -11.525 -10.738 1.00 0.00 C ATOM 897 C SER A 58 3.002 -11.892 -9.407 1.00 0.00 C ATOM 898 O SER A 58 3.531 -12.997 -9.279 1.00 0.00 O ATOM 899 CB SER A 58 2.722 -12.464 -11.858 1.00 0.00 C ATOM 900 OG SER A 58 2.093 -12.113 -13.095 1.00 0.00 O ATOM 0 H SER A 58 3.286 -10.135 -11.908 1.00 0.00 H new ATOM 0 HA SER A 58 1.212 -11.616 -10.551 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.805 -12.420 -11.971 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.471 -13.492 -11.596 1.00 0.00 H new ATOM 0 HG SER A 58 2.391 -12.726 -13.799 1.00 0.00 H new ATOM 906 N ASP A 59 2.940 -10.957 -8.426 1.00 0.00 N ATOM 907 CA ASP A 59 3.564 -11.025 -7.114 1.00 0.00 C ATOM 908 C ASP A 59 3.671 -9.578 -6.606 1.00 0.00 C ATOM 909 O ASP A 59 4.366 -9.298 -5.674 1.00 0.00 O ATOM 910 CB ASP A 59 4.975 -11.719 -7.112 1.00 0.00 C ATOM 911 CG ASP A 59 6.129 -10.889 -7.677 1.00 0.00 C ATOM 912 OD1 ASP A 59 6.306 -10.864 -8.913 1.00 0.00 O ATOM 913 OD2 ASP A 59 6.925 -10.315 -6.900 1.00 0.00 O ATOM 0 H ASP A 59 2.418 -10.090 -8.554 1.00 0.00 H new ATOM 0 HA ASP A 59 2.951 -11.648 -6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.220 -11.996 -6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.904 -12.644 -7.684 1.00 0.00 H new ATOM 918 N ARG A 60 2.934 -8.642 -7.256 1.00 0.00 N ATOM 919 CA ARG A 60 2.915 -7.249 -6.829 1.00 0.00 C ATOM 920 C ARG A 60 1.567 -6.563 -7.127 1.00 0.00 C ATOM 921 O ARG A 60 0.910 -6.829 -8.152 1.00 0.00 O ATOM 922 CB ARG A 60 4.118 -6.398 -7.340 1.00 0.00 C ATOM 923 CG ARG A 60 4.396 -6.476 -8.804 1.00 0.00 C ATOM 924 CD ARG A 60 5.413 -7.562 -9.120 1.00 0.00 C ATOM 925 NE ARG A 60 6.777 -7.166 -8.737 1.00 0.00 N ATOM 926 CZ ARG A 60 7.903 -7.628 -9.307 1.00 0.00 C ATOM 927 NH1 ARG A 60 7.853 -8.598 -10.208 1.00 0.00 N ATOM 928 NH2 ARG A 60 9.066 -7.125 -8.959 1.00 0.00 N ATOM 0 H ARG A 60 2.354 -8.840 -8.071 1.00 0.00 H new ATOM 0 HA ARG A 60 3.035 -7.295 -5.747 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.937 -5.355 -7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.013 -6.710 -6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.469 -6.676 -9.341 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.768 -5.514 -9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.140 -8.478 -8.596 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.386 -7.785 -10.187 1.00 0.00 H new ATOM 0 HE ARG A 60 6.876 -6.489 -7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.955 -9.001 -10.475 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.713 -8.942 -10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.113 -6.386 -8.258 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.922 -7.474 -9.390 1.00 0.00 H new ATOM 942 N ALA A 61 1.223 -5.647 -6.269 1.00 0.00 N ATOM 943 CA ALA A 61 -0.073 -4.957 -6.224 1.00 0.00 C ATOM 944 C ALA A 61 0.204 -3.532 -5.821 1.00 0.00 C ATOM 945 O ALA A 61 1.363 -3.218 -5.507 1.00 0.00 O ATOM 946 CB ALA A 61 -0.946 -5.596 -5.152 1.00 0.00 C ATOM 0 H ALA A 61 1.858 -5.331 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.578 -5.015 -7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.909 -5.087 -5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.101 -6.649 -5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.454 -5.511 -4.183 1.00 0.00 H new ATOM 952 N ILE A 62 -0.769 -2.636 -5.899 1.00 0.00 N ATOM 953 CA ILE A 62 -0.533 -1.316 -5.357 1.00 0.00 C ATOM 954 C ILE A 62 -1.696 -0.886 -4.600 1.00 0.00 C ATOM 955 O ILE A 62 -2.828 -1.343 -4.880 1.00 0.00 O ATOM 956 CB ILE A 62 -0.323 -0.151 -6.387 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.672 0.502 -6.814 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.430 -0.605 -7.576 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.515 1.725 -7.691 1.00 0.00 C ATOM 0 H ILE A 62 -1.688 -2.791 -6.313 1.00 0.00 H new ATOM 0 HA ILE A 62 0.388 -1.456 -4.791 1.00 0.00 H new ATOM 0 HB ILE A 62 0.269 0.610 -5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.270 -0.239 -7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.229 0.779 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.556 0.229 -8.267 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.409 -0.972 -7.268 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.119 -1.406 -8.070 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.499 2.120 -7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.946 2.485 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.987 1.452 -8.605 1.00 0.00 H new ATOM 971 N PHE A 63 -1.431 0.037 -3.723 1.00 0.00 N ATOM 972 CA PHE A 63 -2.446 0.849 -3.144 1.00 0.00 C ATOM 973 C PHE A 63 -1.929 2.275 -3.187 1.00 0.00 C ATOM 974 O PHE A 63 -0.910 2.624 -2.586 1.00 0.00 O ATOM 975 CB PHE A 63 -2.932 0.402 -1.741 1.00 0.00 C ATOM 976 CG PHE A 63 -1.972 0.574 -0.631 1.00 0.00 C ATOM 977 CD1 PHE A 63 -0.730 0.023 -0.704 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.319 1.287 0.510 1.00 0.00 C ATOM 979 CE1 PHE A 63 0.136 0.160 0.296 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.429 1.419 1.518 1.00 0.00 C ATOM 981 CZ PHE A 63 -0.199 0.856 1.421 1.00 0.00 C ATOM 0 H PHE A 63 -0.490 0.245 -3.389 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.363 0.749 -3.725 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.838 0.958 -1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.209 -0.651 -1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.444 -0.532 -1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.298 1.735 0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.117 -0.285 0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.698 1.975 2.404 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.511 0.958 2.229 1.00 0.00 H new ATOM 991 N MET A 64 -2.524 3.029 -4.022 1.00 0.00 N ATOM 992 CA MET A 64 -2.141 4.425 -4.208 1.00 0.00 C ATOM 993 C MET A 64 -3.070 5.313 -3.401 1.00 0.00 C ATOM 994 O MET A 64 -4.263 5.418 -3.714 1.00 0.00 O ATOM 995 CB MET A 64 -2.145 4.754 -5.723 1.00 0.00 C ATOM 996 CG MET A 64 -1.771 6.171 -6.134 1.00 0.00 C ATOM 997 SD MET A 64 -1.300 6.231 -7.877 1.00 0.00 S ATOM 998 CE MET A 64 -0.867 7.958 -8.077 1.00 0.00 C ATOM 0 H MET A 64 -3.297 2.723 -4.613 1.00 0.00 H new ATOM 0 HA MET A 64 -1.131 4.608 -3.842 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.458 4.068 -6.218 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.142 4.543 -6.111 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.613 6.840 -5.957 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.946 6.527 -5.517 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.506 8.128 -9.092 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.746 8.577 -7.896 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.085 8.222 -7.365 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.543 5.901 -2.324 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.365 6.704 -1.435 1.00 0.00 C ATOM 1010 C LEU A 65 -3.283 8.147 -1.666 1.00 0.00 C ATOM 1011 O LEU A 65 -2.242 8.708 -2.039 1.00 0.00 O ATOM 1012 CB LEU A 65 -3.293 6.426 0.060 1.00 0.00 C ATOM 1013 CG LEU A 65 -2.152 6.994 0.866 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -2.466 6.781 2.276 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.847 6.358 0.520 1.00 0.00 C ATOM 0 H LEU A 65 -1.562 5.834 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.343 6.338 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.220 6.789 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.279 5.344 0.191 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.043 8.055 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.661 7.180 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.398 7.290 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.574 5.713 2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.055 6.799 1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.901 5.287 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.631 6.522 -0.536 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.380 8.725 -1.400 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.610 10.147 -1.665 1.00 0.00 C ATOM 1029 C ARG A 66 -4.468 11.038 -0.415 1.00 0.00 C ATOM 1030 O ARG A 66 -3.726 12.002 -0.464 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.907 10.430 -2.503 1.00 0.00 C ATOM 1032 CG ARG A 66 -5.990 9.684 -3.826 1.00 0.00 C ATOM 1033 CD ARG A 66 -4.853 10.034 -4.760 1.00 0.00 C ATOM 1034 NE ARG A 66 -4.821 11.459 -5.115 1.00 0.00 N ATOM 1035 CZ ARG A 66 -4.368 11.947 -6.285 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -3.996 11.114 -7.272 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -4.309 13.257 -6.471 1.00 0.00 N ATOM 0 H ARG A 66 -5.180 8.247 -0.984 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.790 10.449 -2.316 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.776 10.168 -1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.968 11.500 -2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.982 8.611 -3.635 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.939 9.915 -4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.908 9.760 -4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.941 9.440 -5.670 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.167 12.127 -4.426 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.056 10.105 -7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.654 11.491 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.606 13.891 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.966 13.632 -7.356 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.180 10.741 0.700 1.00 0.00 N ATOM 1052 CA ASP A 67 -5.007 11.478 1.959 1.00 0.00 C ATOM 1053 C ASP A 67 -3.515 11.737 2.395 1.00 0.00 C ATOM 1054 O ASP A 67 -3.246 12.750 3.027 1.00 0.00 O ATOM 1055 CB ASP A 67 -5.780 10.752 3.078 1.00 0.00 C ATOM 1056 CG ASP A 67 -5.686 11.424 4.416 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -4.754 11.123 5.173 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -6.576 12.243 4.743 1.00 0.00 O ATOM 0 H ASP A 67 -5.876 9.997 0.745 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.411 12.474 1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.829 10.678 2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.401 9.734 3.166 1.00 0.00 H new ATOM 1063 N GLY A 68 -2.544 10.881 2.001 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.203 11.005 2.498 1.00 0.00 C ATOM 1065 C GLY A 68 -0.991 10.196 3.774 1.00 0.00 C ATOM 1066 O GLY A 68 0.090 9.674 4.005 1.00 0.00 O ATOM 0 H GLY A 68 -2.687 10.112 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.501 10.670 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.984 12.055 2.693 1.00 0.00 H new ATOM 1070 N SER A 69 -2.031 10.050 4.578 1.00 0.00 N ATOM 1071 CA SER A 69 -1.867 9.367 5.883 1.00 0.00 C ATOM 1072 C SER A 69 -2.269 7.834 5.986 1.00 0.00 C ATOM 1073 O SER A 69 -1.392 6.995 6.247 1.00 0.00 O ATOM 1074 CB SER A 69 -2.437 10.233 7.038 1.00 0.00 C ATOM 1075 OG SER A 69 -2.366 9.593 8.298 1.00 0.00 O ATOM 0 H SER A 69 -2.975 10.378 4.375 1.00 0.00 H new ATOM 0 HA SER A 69 -0.785 9.288 5.989 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.889 11.174 7.084 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.476 10.480 6.820 1.00 0.00 H new ATOM 0 HG SER A 69 -2.736 10.184 8.986 1.00 0.00 H new ATOM 1081 N TYR A 70 -3.547 7.474 5.751 1.00 0.00 N ATOM 1082 CA TYR A 70 -4.112 6.118 6.048 1.00 0.00 C ATOM 1083 C TYR A 70 -3.552 4.870 5.265 1.00 0.00 C ATOM 1084 O TYR A 70 -4.285 3.929 5.049 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.654 6.172 5.927 1.00 0.00 C ATOM 1086 CG TYR A 70 -6.237 6.743 4.615 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -5.666 6.480 3.377 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -7.371 7.532 4.637 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -6.200 6.971 2.204 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -7.913 8.033 3.473 1.00 0.00 C ATOM 1091 CZ TYR A 70 -7.329 7.743 2.263 1.00 0.00 C ATOM 1092 OH TYR A 70 -7.856 8.277 1.114 1.00 0.00 O ATOM 0 H TYR A 70 -4.231 8.113 5.347 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.765 5.924 7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.039 5.161 6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.038 6.768 6.755 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.775 5.871 3.331 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.841 7.760 5.582 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.735 6.750 1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.796 8.653 3.512 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.554 7.754 0.342 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.287 4.834 4.931 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.734 3.696 4.159 1.00 0.00 C ATOM 1104 C ALA A 71 -0.923 2.699 4.993 1.00 0.00 C ATOM 1105 O ALA A 71 -0.781 1.521 4.637 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.864 4.213 3.048 1.00 0.00 C ATOM 0 H ALA A 71 -1.609 5.559 5.167 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.598 3.154 3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.459 3.374 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.456 4.845 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.045 4.796 3.469 1.00 0.00 H new ATOM 1112 N TRP A 72 -0.428 3.116 6.094 1.00 0.00 N ATOM 1113 CA TRP A 72 0.507 2.282 6.794 1.00 0.00 C ATOM 1114 C TRP A 72 -0.091 1.183 7.668 1.00 0.00 C ATOM 1115 O TRP A 72 0.476 0.038 7.800 1.00 0.00 O ATOM 1116 CB TRP A 72 1.729 3.059 7.283 1.00 0.00 C ATOM 1117 CG TRP A 72 2.552 3.333 6.063 1.00 0.00 C ATOM 1118 CD1 TRP A 72 3.341 2.427 5.473 1.00 0.00 C ATOM 1119 CD2 TRP A 72 2.614 4.529 5.222 1.00 0.00 C ATOM 1120 NE1 TRP A 72 3.866 2.907 4.332 1.00 0.00 N ATOM 1121 CE2 TRP A 72 3.457 4.204 4.139 1.00 0.00 C ATOM 1122 CE3 TRP A 72 2.057 5.822 5.255 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 3.738 5.125 3.092 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 2.351 6.683 4.245 1.00 0.00 C ATOM 1125 CH2 TRP A 72 3.176 6.331 3.173 1.00 0.00 C ATOM 0 H TRP A 72 -0.640 4.011 6.535 1.00 0.00 H new ATOM 0 HA TRP A 72 0.950 1.611 6.058 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.433 3.987 7.771 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.294 2.480 8.014 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.531 1.438 5.863 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.477 2.386 3.703 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.410 6.123 6.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.380 4.858 2.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.931 7.678 4.272 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.363 7.053 2.392 1.00 0.00 H new ATOM 1136 N GLU A 73 -1.272 1.440 8.163 1.00 0.00 N ATOM 1137 CA GLU A 73 -2.014 0.395 8.803 1.00 0.00 C ATOM 1138 C GLU A 73 -2.480 -0.573 7.715 1.00 0.00 C ATOM 1139 O GLU A 73 -2.611 -1.800 7.944 1.00 0.00 O ATOM 1140 CB GLU A 73 -3.175 0.939 9.614 1.00 0.00 C ATOM 1141 CG GLU A 73 -2.730 1.836 10.746 1.00 0.00 C ATOM 1142 CD GLU A 73 -3.875 2.312 11.569 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -4.284 1.589 12.494 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -4.403 3.420 11.298 1.00 0.00 O ATOM 0 H GLU A 73 -1.733 2.350 8.135 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.380 -0.127 9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.842 1.496 8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.750 0.107 10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.028 1.296 11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.196 2.694 10.339 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.648 -0.024 6.485 1.00 0.00 N ATOM 1152 CA ILE A 74 -2.958 -0.848 5.361 1.00 0.00 C ATOM 1153 C ILE A 74 -1.791 -1.832 5.136 1.00 0.00 C ATOM 1154 O ILE A 74 -2.012 -3.030 4.881 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.278 -0.078 4.027 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.560 0.743 4.094 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.412 -1.077 2.937 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.730 1.678 2.929 1.00 0.00 C ATOM 0 H ILE A 74 -2.569 0.972 6.280 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.885 -1.364 5.610 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.461 0.622 3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.414 0.067 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.565 1.321 5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.634 -0.566 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.479 -1.632 2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.221 -1.768 3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.662 2.231 3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.894 2.377 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.757 1.104 2.003 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.548 -1.326 5.304 1.00 0.00 N ATOM 1171 CA LYS A 75 0.638 -2.156 5.165 1.00 0.00 C ATOM 1172 C LYS A 75 0.595 -3.327 6.152 1.00 0.00 C ATOM 1173 O LYS A 75 0.888 -4.526 5.785 1.00 0.00 O ATOM 1174 CB LYS A 75 1.921 -1.338 5.311 1.00 0.00 C ATOM 1175 CG LYS A 75 3.201 -2.164 5.178 1.00 0.00 C ATOM 1176 CD LYS A 75 4.445 -1.309 5.342 1.00 0.00 C ATOM 1177 CE LYS A 75 4.483 -0.634 6.704 1.00 0.00 C ATOM 1178 NZ LYS A 75 4.583 -1.593 7.823 1.00 0.00 N ATOM 0 H LYS A 75 -0.356 -0.351 5.534 1.00 0.00 H new ATOM 0 HA LYS A 75 0.643 -2.569 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.927 -0.552 4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.918 -0.845 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.202 -2.955 5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.220 -2.650 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.333 -1.929 5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.473 -0.552 4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.332 0.048 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.584 -0.031 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.724 -1.074 8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.707 -2.150 7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.389 -2.231 7.663 1.00 0.00 H new ATOM 1192 N ASP A 76 0.198 -3.026 7.379 1.00 0.00 N ATOM 1193 CA ASP A 76 0.010 -4.121 8.348 1.00 0.00 C ATOM 1194 C ASP A 76 -0.978 -5.161 7.822 1.00 0.00 C ATOM 1195 O ASP A 76 -0.658 -6.352 7.842 1.00 0.00 O ATOM 1196 CB ASP A 76 -0.438 -3.643 9.730 1.00 0.00 C ATOM 1197 CG ASP A 76 -0.712 -4.811 10.677 1.00 0.00 C ATOM 1198 OD1 ASP A 76 0.250 -5.495 11.093 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -1.898 -5.077 11.009 1.00 0.00 O ATOM 0 H ASP A 76 0.005 -2.086 7.726 1.00 0.00 H new ATOM 0 HA ASP A 76 0.994 -4.575 8.467 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.331 -3.001 10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.339 -3.038 9.630 1.00 0.00 H new ATOM 1204 N PHE A 77 -2.132 -4.716 7.269 1.00 0.00 N ATOM 1205 CA PHE A 77 -3.165 -5.688 6.794 1.00 0.00 C ATOM 1206 C PHE A 77 -2.589 -6.582 5.710 1.00 0.00 C ATOM 1207 O PHE A 77 -2.847 -7.759 5.685 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.449 -5.053 6.228 1.00 0.00 C ATOM 1209 CG PHE A 77 -5.064 -3.941 7.038 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -5.272 -4.074 8.397 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.461 -2.769 6.419 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -5.857 -3.056 9.124 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -6.045 -1.745 7.142 1.00 0.00 C ATOM 1214 CZ PHE A 77 -6.242 -1.889 8.497 1.00 0.00 C ATOM 0 H PHE A 77 -2.372 -3.733 7.141 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.442 -6.243 7.690 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.229 -4.668 5.232 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.194 -5.840 6.108 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.974 -4.984 8.896 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.313 -2.652 5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.014 -3.174 10.186 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.346 -0.835 6.645 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.696 -1.092 9.067 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.793 -5.999 4.835 1.00 0.00 N ATOM 1225 CA LEU A 78 -1.118 -6.731 3.750 1.00 0.00 C ATOM 1226 C LEU A 78 -0.394 -7.867 4.287 1.00 0.00 C ATOM 1227 O LEU A 78 -0.665 -9.006 3.943 1.00 0.00 O ATOM 1228 CB LEU A 78 -0.041 -5.922 3.198 1.00 0.00 C ATOM 1229 CG LEU A 78 -0.328 -4.579 2.786 1.00 0.00 C ATOM 1230 CD1 LEU A 78 0.995 -3.952 2.611 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -1.135 -4.612 1.534 1.00 0.00 C ATOM 0 H LEU A 78 -1.587 -5.000 4.846 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.891 -6.998 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.753 -5.876 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.362 -6.453 2.336 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.921 -4.010 3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.868 -2.917 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.538 -3.979 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.558 -4.497 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.356 -3.593 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.572 -5.122 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.068 -5.145 1.716 1.00 0.00 H new ATOM 1243 N VAL A 79 0.537 -7.569 5.169 1.00 0.00 N ATOM 1244 CA VAL A 79 1.411 -8.604 5.629 1.00 0.00 C ATOM 1245 C VAL A 79 0.712 -9.479 6.662 1.00 0.00 C ATOM 1246 O VAL A 79 1.199 -10.545 7.047 1.00 0.00 O ATOM 1247 CB VAL A 79 2.744 -8.049 6.135 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.799 -9.102 5.973 1.00 0.00 C ATOM 1249 CG2 VAL A 79 3.116 -6.802 5.361 1.00 0.00 C ATOM 0 H VAL A 79 0.699 -6.644 5.567 1.00 0.00 H new ATOM 0 HA VAL A 79 1.657 -9.238 4.777 1.00 0.00 H new ATOM 0 HB VAL A 79 2.657 -7.781 7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.754 -8.718 6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.524 -9.985 6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.887 -9.370 4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.066 -6.415 5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.209 -7.045 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.341 -6.047 5.493 1.00 0.00 H new ATOM 1259 N SER A 80 -0.442 -9.031 7.071 1.00 0.00 N ATOM 1260 CA SER A 80 -1.280 -9.765 7.942 1.00 0.00 C ATOM 1261 C SER A 80 -2.273 -10.593 7.091 1.00 0.00 C ATOM 1262 O SER A 80 -2.925 -11.500 7.613 1.00 0.00 O ATOM 1263 CB SER A 80 -2.029 -8.765 8.860 1.00 0.00 C ATOM 1264 OG SER A 80 -2.700 -9.364 9.965 1.00 0.00 O ATOM 0 H SER A 80 -0.823 -8.126 6.796 1.00 0.00 H new ATOM 0 HA SER A 80 -0.702 -10.448 8.565 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.315 -8.034 9.238 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.758 -8.218 8.262 1.00 0.00 H new ATOM 0 HG SER A 80 -3.145 -8.669 10.494 1.00 0.00 H new ATOM 1270 N GLN A 81 -2.382 -10.322 5.753 1.00 0.00 N ATOM 1271 CA GLN A 81 -3.370 -11.074 4.984 1.00 0.00 C ATOM 1272 C GLN A 81 -2.663 -12.046 4.132 1.00 0.00 C ATOM 1273 O GLN A 81 -3.059 -13.215 3.981 1.00 0.00 O ATOM 1274 CB GLN A 81 -4.237 -10.147 4.106 1.00 0.00 C ATOM 1275 CG GLN A 81 -5.256 -10.894 3.237 1.00 0.00 C ATOM 1276 CD GLN A 81 -6.298 -11.657 4.046 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.769 -12.726 3.631 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -6.700 -11.107 5.162 1.00 0.00 N ATOM 0 H GLN A 81 -1.833 -9.637 5.234 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.036 -11.585 5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.767 -9.444 4.749 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.585 -9.559 3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.762 -10.179 2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.727 -11.593 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.290 -10.226 5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.424 -11.559 5.721 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.592 -11.590 3.629 1.00 0.00 N ATOM 1288 CA ASP A 82 -0.836 -12.317 2.718 1.00 0.00 C ATOM 1289 C ASP A 82 0.639 -12.054 3.046 1.00 0.00 C ATOM 1290 O ASP A 82 0.922 -11.445 4.084 1.00 0.00 O ATOM 1291 CB ASP A 82 -1.233 -11.889 1.304 1.00 0.00 C ATOM 1292 CG ASP A 82 -0.644 -12.798 0.306 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -1.183 -13.880 0.132 1.00 0.00 O ATOM 1294 OD2 ASP A 82 0.425 -12.501 -0.219 1.00 0.00 O ATOM 0 H ASP A 82 -1.209 -10.671 3.850 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.010 -13.391 2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.319 -11.889 1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.897 -10.869 1.119 1.00 0.00 H new ATOM 1299 N ARG A 83 1.565 -12.446 2.224 1.00 0.00 N ATOM 1300 CA ARG A 83 2.933 -12.310 2.577 1.00 0.00 C ATOM 1301 C ARG A 83 3.585 -11.221 1.766 1.00 0.00 C ATOM 1302 O ARG A 83 4.270 -11.463 0.756 1.00 0.00 O ATOM 1303 CB ARG A 83 3.702 -13.629 2.504 1.00 0.00 C ATOM 1304 CG ARG A 83 5.115 -13.516 3.025 1.00 0.00 C ATOM 1305 CD ARG A 83 5.845 -14.826 2.961 1.00 0.00 C ATOM 1306 NE ARG A 83 7.213 -14.712 3.479 1.00 0.00 N ATOM 1307 CZ ARG A 83 7.891 -15.720 4.050 1.00 0.00 C ATOM 1308 NH1 ARG A 83 7.287 -16.873 4.292 1.00 0.00 N ATOM 1309 NH2 ARG A 83 9.147 -15.559 4.411 1.00 0.00 N ATOM 0 H ARG A 83 1.392 -12.861 1.308 1.00 0.00 H new ATOM 0 HA ARG A 83 2.968 -12.014 3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.168 -14.387 3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.728 -13.972 1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.657 -12.770 2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.094 -13.163 4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.300 -15.575 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.875 -15.176 1.929 1.00 0.00 H new ATOM 0 HE ARG A 83 7.679 -13.808 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.305 -16.996 4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.803 -17.638 4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.611 -14.664 4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.656 -16.329 4.844 1.00 0.00 H new ATOM 1323 N CYS A 84 3.289 -10.024 2.173 1.00 0.00 N ATOM 1324 CA CYS A 84 3.841 -8.837 1.601 1.00 0.00 C ATOM 1325 C CYS A 84 5.327 -8.725 1.977 1.00 0.00 C ATOM 1326 O CYS A 84 5.770 -9.338 2.976 1.00 0.00 O ATOM 1327 CB CYS A 84 2.979 -7.642 2.022 1.00 0.00 C ATOM 1328 SG CYS A 84 3.722 -6.006 1.819 1.00 0.00 S ATOM 0 H CYS A 84 2.637 -9.843 2.936 1.00 0.00 H new ATOM 0 HA CYS A 84 3.820 -8.863 0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.052 -7.670 1.449 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.709 -7.767 3.071 1.00 0.00 H new ATOM 0 HG CYS A 84 3.414 -5.260 2.838 1.00 0.00 H new ATOM 1334 N ALA A 85 6.107 -7.981 1.204 1.00 0.00 N ATOM 1335 CA ALA A 85 7.531 -8.035 1.357 1.00 0.00 C ATOM 1336 C ALA A 85 8.291 -6.787 0.904 1.00 0.00 C ATOM 1337 O ALA A 85 9.282 -6.420 1.528 1.00 0.00 O ATOM 1338 CB ALA A 85 8.020 -9.237 0.601 1.00 0.00 C ATOM 0 H ALA A 85 5.772 -7.346 0.479 1.00 0.00 H new ATOM 0 HA ALA A 85 7.733 -8.098 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.103 -9.310 0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.559 -10.136 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.753 -9.138 -0.451 1.00 0.00 H new ATOM 1344 N GLU A 86 7.850 -6.124 -0.146 1.00 0.00 N ATOM 1345 CA GLU A 86 8.657 -5.046 -0.691 1.00 0.00 C ATOM 1346 C GLU A 86 7.784 -3.874 -0.987 1.00 0.00 C ATOM 1347 O GLU A 86 6.821 -4.006 -1.703 1.00 0.00 O ATOM 1348 CB GLU A 86 9.338 -5.538 -1.966 1.00 0.00 C ATOM 1349 CG GLU A 86 10.150 -4.507 -2.719 1.00 0.00 C ATOM 1350 CD GLU A 86 10.583 -5.013 -4.062 1.00 0.00 C ATOM 1351 OE1 GLU A 86 11.549 -5.804 -4.149 1.00 0.00 O ATOM 1352 OE2 GLU A 86 9.948 -4.640 -5.068 1.00 0.00 O ATOM 0 H GLU A 86 6.968 -6.302 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 86 9.417 -4.742 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.993 -6.370 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.573 -5.930 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.559 -3.600 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.028 -4.236 -2.132 1.00 0.00 H new ATOM 1359 N VAL A 87 8.112 -2.745 -0.455 1.00 0.00 N ATOM 1360 CA VAL A 87 7.300 -1.584 -0.644 1.00 0.00 C ATOM 1361 C VAL A 87 8.090 -0.410 -1.262 1.00 0.00 C ATOM 1362 O VAL A 87 9.045 0.107 -0.655 1.00 0.00 O ATOM 1363 CB VAL A 87 6.619 -1.148 0.710 1.00 0.00 C ATOM 1364 CG1 VAL A 87 5.580 -2.171 1.164 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.656 -0.966 1.821 1.00 0.00 C ATOM 0 H VAL A 87 8.942 -2.598 0.119 1.00 0.00 H new ATOM 0 HA VAL A 87 6.520 -1.854 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 87 6.125 -0.195 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.129 -1.841 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.806 -2.266 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.062 -3.137 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.155 -0.665 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.182 -1.906 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.371 -0.196 1.529 1.00 0.00 H new ATOM 1375 N THR A 88 7.756 -0.034 -2.485 1.00 0.00 N ATOM 1376 CA THR A 88 8.268 1.194 -3.019 1.00 0.00 C ATOM 1377 C THR A 88 7.192 2.205 -3.072 1.00 0.00 C ATOM 1378 O THR A 88 6.079 1.968 -3.578 1.00 0.00 O ATOM 1379 CB THR A 88 9.024 1.119 -4.332 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.401 0.207 -5.261 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.473 0.785 -4.087 1.00 0.00 C ATOM 0 H THR A 88 7.143 -0.558 -3.109 1.00 0.00 H new ATOM 0 HA THR A 88 9.048 1.488 -2.317 1.00 0.00 H new ATOM 0 HB THR A 88 8.986 2.102 -4.802 1.00 0.00 H new ATOM 0 HG1 THR A 88 8.916 0.187 -6.095 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.001 0.735 -5.039 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.924 1.556 -3.462 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.544 -0.178 -3.582 1.00 0.00 H new ATOM 1389 N LEU A 89 7.503 3.296 -2.527 1.00 0.00 N ATOM 1390 CA LEU A 89 6.574 4.304 -2.250 1.00 0.00 C ATOM 1391 C LEU A 89 6.824 5.463 -3.183 1.00 0.00 C ATOM 1392 O LEU A 89 7.916 5.586 -3.750 1.00 0.00 O ATOM 1393 CB LEU A 89 6.671 4.719 -0.794 1.00 0.00 C ATOM 1394 CG LEU A 89 6.999 3.605 0.263 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.830 4.119 1.637 1.00 0.00 C ATOM 1396 CD2 LEU A 89 6.237 2.320 0.099 1.00 0.00 C ATOM 0 H LEU A 89 8.456 3.528 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 89 5.560 3.940 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.436 5.491 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.724 5.179 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 89 8.042 3.351 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.063 3.330 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.503 4.962 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.800 4.445 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.536 1.618 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.168 2.518 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.453 1.891 -0.879 1.00 0.00 H new ATOM 1408 N GLU A 90 5.833 6.265 -3.359 1.00 0.00 N ATOM 1409 CA GLU A 90 5.840 7.324 -4.340 1.00 0.00 C ATOM 1410 C GLU A 90 6.647 8.498 -3.821 1.00 0.00 C ATOM 1411 O GLU A 90 6.659 8.778 -2.624 1.00 0.00 O ATOM 1412 CB GLU A 90 4.411 7.784 -4.526 1.00 0.00 C ATOM 1413 CG GLU A 90 4.001 8.087 -5.981 1.00 0.00 C ATOM 1414 CD GLU A 90 4.878 9.098 -6.683 1.00 0.00 C ATOM 1415 OE1 GLU A 90 5.960 8.711 -7.191 1.00 0.00 O ATOM 1416 OE2 GLU A 90 4.505 10.284 -6.759 1.00 0.00 O ATOM 0 H GLU A 90 4.969 6.212 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 90 6.273 6.966 -5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.745 7.017 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.255 8.681 -3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.014 7.157 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.973 8.450 -5.987 1.00 0.00 H new ATOM 1423 N GLY A 91 7.291 9.176 -4.729 1.00 0.00 N ATOM 1424 CA GLY A 91 8.178 10.214 -4.386 1.00 0.00 C ATOM 1425 C GLY A 91 9.592 9.761 -4.798 1.00 0.00 C ATOM 1426 O GLY A 91 10.121 8.882 -4.122 1.00 0.00 O ATOM 0 H GLY A 91 7.204 9.011 -5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.906 11.137 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.136 10.418 -3.316 1.00 0.00 H new ATOM 1430 N GLN A 92 10.184 10.238 -5.947 1.00 0.00 N ATOM 1431 CA GLN A 92 11.528 9.805 -6.301 1.00 0.00 C ATOM 1432 C GLN A 92 12.475 10.193 -5.179 1.00 0.00 C ATOM 1433 O GLN A 92 12.722 11.383 -4.947 1.00 0.00 O ATOM 1434 CB GLN A 92 11.977 10.407 -7.636 1.00 0.00 C ATOM 1435 CG GLN A 92 13.286 9.825 -8.160 1.00 0.00 C ATOM 1436 CD GLN A 92 13.195 8.325 -8.415 1.00 0.00 C ATOM 1437 OE1 GLN A 92 12.135 7.801 -8.740 1.00 0.00 O ATOM 1438 NE2 GLN A 92 14.297 7.632 -8.285 1.00 0.00 N ATOM 0 H GLN A 92 9.751 10.892 -6.599 1.00 0.00 H new ATOM 0 HA GLN A 92 11.535 8.722 -6.427 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.195 10.247 -8.378 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.090 11.485 -7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.561 10.332 -9.085 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.081 10.021 -7.441 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.163 8.097 -8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.290 6.626 -8.455 1.00 0.00 H new ATOM 1447 N MET A 93 12.965 9.175 -4.482 1.00 0.00 N ATOM 1448 CA MET A 93 13.729 9.324 -3.254 1.00 0.00 C ATOM 1449 C MET A 93 12.877 10.070 -2.238 1.00 0.00 C ATOM 1450 O MET A 93 13.066 11.261 -1.967 1.00 0.00 O ATOM 1451 CB MET A 93 15.120 9.956 -3.445 1.00 0.00 C ATOM 1452 CG MET A 93 15.910 10.106 -2.147 1.00 0.00 C ATOM 1453 SD MET A 93 17.554 10.810 -2.389 1.00 0.00 S ATOM 1454 CE MET A 93 18.330 9.524 -3.371 1.00 0.00 C ATOM 0 H MET A 93 12.838 8.203 -4.763 1.00 0.00 H new ATOM 0 HA MET A 93 13.957 8.326 -2.878 1.00 0.00 H new ATOM 0 HB2 MET A 93 15.695 9.345 -4.141 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.003 10.938 -3.904 1.00 0.00 H new ATOM 0 HG2 MET A 93 15.349 10.739 -1.459 1.00 0.00 H new ATOM 0 HG3 MET A 93 16.007 9.129 -1.674 1.00 0.00 H new ATOM 0 HE1 MET A 93 19.337 9.338 -2.997 1.00 0.00 H new ATOM 0 HE2 MET A 93 17.742 8.609 -3.302 1.00 0.00 H new ATOM 0 HE3 MET A 93 18.383 9.843 -4.412 1.00 0.00 H new ATOM 1464 N TYR A 94 11.861 9.383 -1.799 1.00 0.00 N ATOM 1465 CA TYR A 94 10.879 9.897 -0.867 1.00 0.00 C ATOM 1466 C TYR A 94 11.405 10.088 0.598 1.00 0.00 C ATOM 1467 O TYR A 94 11.019 11.073 1.252 1.00 0.00 O ATOM 1468 CB TYR A 94 9.528 9.106 -0.962 1.00 0.00 C ATOM 1469 CG TYR A 94 9.633 7.619 -0.689 1.00 0.00 C ATOM 1470 CD1 TYR A 94 10.242 6.732 -1.606 1.00 0.00 C ATOM 1471 CD2 TYR A 94 9.186 7.104 0.502 1.00 0.00 C ATOM 1472 CE1 TYR A 94 10.381 5.396 -1.320 1.00 0.00 C ATOM 1473 CE2 TYR A 94 9.345 5.803 0.800 1.00 0.00 C ATOM 1474 CZ TYR A 94 9.946 4.932 -0.114 1.00 0.00 C ATOM 1475 OH TYR A 94 10.108 3.597 0.197 1.00 0.00 O ATOM 0 H TYR A 94 11.681 8.420 -2.084 1.00 0.00 H new ATOM 0 HA TYR A 94 10.668 10.918 -1.185 1.00 0.00 H new ATOM 0 HB2 TYR A 94 8.820 9.540 -0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.111 9.248 -1.959 1.00 0.00 H new ATOM 0 HD1 TYR A 94 10.605 7.112 -2.549 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.698 7.755 1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.827 4.724 -2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.006 5.427 1.754 1.00 0.00 H new ATOM 0 HH TYR A 94 9.975 3.467 1.159 1.00 0.00 H new ATOM 1485 N PRO A 95 12.268 9.176 1.167 1.00 0.00 N ATOM 1486 CA PRO A 95 12.835 9.371 2.487 1.00 0.00 C ATOM 1487 C PRO A 95 14.297 9.867 2.409 1.00 0.00 C ATOM 1488 O PRO A 95 14.810 10.159 1.317 1.00 0.00 O ATOM 1489 CB PRO A 95 12.786 7.955 3.068 1.00 0.00 C ATOM 1490 CG PRO A 95 12.779 7.024 1.879 1.00 0.00 C ATOM 1491 CD PRO A 95 12.720 7.882 0.638 1.00 0.00 C ATOM 0 HA PRO A 95 12.305 10.119 3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.647 7.765 3.709 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.896 7.814 3.681 1.00 0.00 H new ATOM 0 HG2 PRO A 95 13.673 6.401 1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.922 6.351 1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.692 7.960 0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.026 7.481 -0.100 1.00 0.00 H new ATOM 1499 N GLY A 96 14.961 9.944 3.545 1.00 0.00 N ATOM 1500 CA GLY A 96 16.355 10.366 3.571 1.00 0.00 C ATOM 1501 C GLY A 96 16.524 11.713 4.224 1.00 0.00 C ATOM 1502 O GLY A 96 17.645 12.196 4.428 1.00 0.00 O ATOM 0 H GLY A 96 14.565 9.722 4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.948 9.626 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.741 10.406 2.552 1.00 0.00 H new ATOM 1506 N LYS A 97 15.422 12.314 4.563 1.00 0.00 N ATOM 1507 CA LYS A 97 15.398 13.608 5.167 1.00 0.00 C ATOM 1508 C LYS A 97 14.291 13.548 6.188 1.00 0.00 C ATOM 1509 O LYS A 97 14.579 13.451 7.382 1.00 0.00 O ATOM 1510 CB LYS A 97 15.136 14.677 4.061 1.00 0.00 C ATOM 1511 CG LYS A 97 15.516 16.163 4.350 1.00 0.00 C ATOM 1512 CD LYS A 97 14.521 16.956 5.220 1.00 0.00 C ATOM 1513 CE LYS A 97 14.630 16.688 6.718 1.00 0.00 C ATOM 1514 NZ LYS A 97 15.937 17.084 7.275 1.00 0.00 N ATOM 1515 OXT LYS A 97 13.124 13.497 5.792 1.00 0.00 O ATOM 0 H LYS A 97 14.497 11.908 4.423 1.00 0.00 H new ATOM 0 HA LYS A 97 16.336 13.884 5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.675 14.366 3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.074 14.649 3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.490 16.180 4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.629 16.681 3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.673 18.021 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.507 16.720 4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.839 17.229 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.467 15.627 6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.875 17.122 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.658 16.388 6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.201 18.021 6.909 1.00 0.00 H new TER 1529 LYS A 97