USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= 0.0983 K(o=0.38,f=-4.6!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.28 K(o=0.38,f=-2.9!) USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot -69:sc= 1.24 USER MOD Set 3.1: A 15 HIS : no HD1:sc= 0.99 K(o=2.4,f=-6.1!) USER MOD Set 3.2: A 20 SER OG : rot -121:sc= 1.37 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -124:sc= 1.19 USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -90:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.082) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 78:sc= 0.493 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.961 K(o=-0.96,f=-3.1!) USER MOD Single : A 55 THR OG1 : rot 160:sc= 0.208 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0081 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -129:sc= 1.38 USER MOD Single : A 80 HIS : no HD1:sc= -0.899 X(o=-0.9,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 1.160 -8.805 -11.305 1.00 0.00 N ATOM 66 CA LYS A 5 1.944 -8.833 -10.077 1.00 0.00 C ATOM 67 C LYS A 5 1.048 -9.234 -8.910 1.00 0.00 C ATOM 68 O LYS A 5 1.253 -8.822 -7.778 1.00 0.00 O ATOM 69 CB LYS A 5 2.714 -7.515 -9.892 1.00 0.00 C ATOM 70 CG LYS A 5 4.241 -7.653 -9.822 1.00 0.00 C ATOM 71 CD LYS A 5 4.897 -7.306 -11.162 1.00 0.00 C ATOM 72 CE LYS A 5 6.408 -7.560 -11.082 1.00 0.00 C ATOM 73 NZ LYS A 5 7.087 -7.230 -12.350 1.00 0.00 N ATOM 0 HA LYS A 5 2.721 -9.596 -10.130 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.463 -6.848 -10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.366 -7.035 -8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.632 -6.997 -9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.503 -8.673 -9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.459 -7.908 -11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.707 -6.262 -11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.835 -6.964 -10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.588 -8.606 -10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.106 -7.415 -12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.698 -7.817 -13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.936 -6.225 -12.573 1.00 0.00 H new ATOM 87 N TYR A 6 0.041 -10.054 -9.194 1.00 0.00 N ATOM 88 CA TYR A 6 -0.889 -10.553 -8.200 1.00 0.00 C ATOM 89 C TYR A 6 -0.142 -11.112 -6.981 1.00 0.00 C ATOM 90 O TYR A 6 0.758 -11.931 -7.153 1.00 0.00 O ATOM 91 CB TYR A 6 -1.765 -11.609 -8.872 1.00 0.00 C ATOM 92 CG TYR A 6 -2.823 -11.023 -9.786 1.00 0.00 C ATOM 93 CD1 TYR A 6 -2.541 -10.784 -11.141 1.00 0.00 C ATOM 94 CD2 TYR A 6 -4.093 -10.704 -9.280 1.00 0.00 C ATOM 95 CE1 TYR A 6 -3.543 -10.289 -11.995 1.00 0.00 C ATOM 96 CE2 TYR A 6 -5.117 -10.299 -10.150 1.00 0.00 C ATOM 97 CZ TYR A 6 -4.826 -10.027 -11.494 1.00 0.00 C ATOM 98 OH TYR A 6 -5.730 -9.352 -12.256 1.00 0.00 O ATOM 0 H TYR A 6 -0.150 -10.393 -10.137 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.518 -9.746 -7.824 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.131 -12.283 -9.448 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.252 -12.209 -8.103 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.552 -10.981 -11.528 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.282 -10.770 -8.219 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.324 -10.111 -13.037 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.128 -10.197 -9.784 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.050 -8.566 -11.765 1.00 0.00 H new ATOM 108 N TYR A 7 -0.500 -10.669 -5.767 1.00 0.00 N ATOM 109 CA TYR A 7 0.129 -11.116 -4.525 1.00 0.00 C ATOM 110 C TYR A 7 -0.932 -11.549 -3.507 1.00 0.00 C ATOM 111 O TYR A 7 -2.006 -10.948 -3.430 1.00 0.00 O ATOM 112 CB TYR A 7 1.029 -10.002 -3.965 1.00 0.00 C ATOM 113 CG TYR A 7 2.208 -9.618 -4.845 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.115 -10.608 -5.273 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.440 -8.271 -5.190 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.218 -10.262 -6.072 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.548 -7.927 -5.988 1.00 0.00 C ATOM 118 CZ TYR A 7 4.432 -8.923 -6.430 1.00 0.00 C ATOM 119 OH TYR A 7 5.543 -8.580 -7.143 1.00 0.00 O ATOM 0 H TYR A 7 -1.242 -9.984 -5.623 1.00 0.00 H new ATOM 0 HA TYR A 7 0.753 -11.985 -4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.419 -9.115 -3.795 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.409 -10.318 -2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.962 -11.638 -4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.767 -7.502 -4.842 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.901 -11.027 -6.410 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.718 -6.896 -6.260 1.00 0.00 H new ATOM 0 HH TYR A 7 5.812 -9.332 -7.712 1.00 0.00 H new ATOM 129 N THR A 8 -0.654 -12.625 -2.760 1.00 0.00 N ATOM 130 CA THR A 8 -1.536 -13.195 -1.750 1.00 0.00 C ATOM 131 C THR A 8 -1.393 -12.418 -0.438 1.00 0.00 C ATOM 132 O THR A 8 -0.422 -11.682 -0.248 1.00 0.00 O ATOM 133 CB THR A 8 -1.151 -14.670 -1.555 1.00 0.00 C ATOM 134 OG1 THR A 8 0.255 -14.751 -1.454 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.586 -15.538 -2.737 1.00 0.00 C ATOM 0 H THR A 8 0.224 -13.136 -2.850 1.00 0.00 H new ATOM 0 HA THR A 8 -2.576 -13.128 -2.068 1.00 0.00 H new ATOM 0 HB THR A 8 -1.651 -15.033 -0.657 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.521 -15.686 -1.327 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.293 -16.572 -2.556 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.669 -15.482 -2.851 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.106 -15.179 -3.648 1.00 0.00 H new ATOM 143 N LEU A 9 -2.353 -12.584 0.482 1.00 0.00 N ATOM 144 CA LEU A 9 -2.361 -11.840 1.726 1.00 0.00 C ATOM 145 C LEU A 9 -1.063 -12.059 2.491 1.00 0.00 C ATOM 146 O LEU A 9 -0.351 -11.090 2.726 1.00 0.00 O ATOM 147 CB LEU A 9 -3.581 -12.188 2.587 1.00 0.00 C ATOM 148 CG LEU A 9 -4.934 -11.652 2.086 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.868 -10.234 1.511 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.587 -12.589 1.078 1.00 0.00 C ATOM 0 H LEU A 9 -3.133 -13.233 0.377 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.436 -10.781 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.649 -13.273 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.411 -11.806 3.594 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.555 -11.605 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.861 -9.929 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.514 -9.546 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.182 -10.216 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.539 -12.168 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.931 -12.710 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.759 -13.560 1.542 1.00 0.00 H new ATOM 162 N GLU A 10 -0.735 -13.307 2.850 1.00 0.00 N ATOM 163 CA GLU A 10 0.488 -13.602 3.586 1.00 0.00 C ATOM 164 C GLU A 10 1.705 -12.919 2.964 1.00 0.00 C ATOM 165 O GLU A 10 2.516 -12.350 3.692 1.00 0.00 O ATOM 166 CB GLU A 10 0.741 -15.110 3.675 1.00 0.00 C ATOM 167 CG GLU A 10 -0.090 -15.787 4.773 1.00 0.00 C ATOM 168 CD GLU A 10 0.465 -17.167 5.117 1.00 0.00 C ATOM 169 OE1 GLU A 10 1.712 -17.300 5.108 1.00 0.00 O ATOM 170 OE2 GLU A 10 -0.365 -18.059 5.389 1.00 0.00 O ATOM 0 H GLU A 10 -1.305 -14.126 2.639 1.00 0.00 H new ATOM 0 HA GLU A 10 0.344 -13.207 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.510 -15.570 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.800 -15.286 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.095 -15.162 5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.125 -15.881 4.443 1.00 0.00 H new ATOM 177 N GLU A 11 1.834 -12.979 1.635 1.00 0.00 N ATOM 178 CA GLU A 11 2.936 -12.347 0.926 1.00 0.00 C ATOM 179 C GLU A 11 3.040 -10.884 1.360 1.00 0.00 C ATOM 180 O GLU A 11 4.040 -10.453 1.927 1.00 0.00 O ATOM 181 CB GLU A 11 2.725 -12.471 -0.593 1.00 0.00 C ATOM 182 CG GLU A 11 4.057 -12.590 -1.342 1.00 0.00 C ATOM 183 CD GLU A 11 4.611 -14.006 -1.218 1.00 0.00 C ATOM 184 OE1 GLU A 11 4.221 -14.831 -2.072 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.365 -14.257 -0.250 1.00 0.00 O ATOM 0 H GLU A 11 1.176 -13.467 1.027 1.00 0.00 H new ATOM 0 HA GLU A 11 3.873 -12.847 1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.109 -13.345 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.179 -11.601 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.914 -12.339 -2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.774 -11.875 -0.938 1.00 0.00 H new ATOM 192 N ILE A 12 1.962 -10.134 1.155 1.00 0.00 N ATOM 193 CA ILE A 12 1.913 -8.715 1.475 1.00 0.00 C ATOM 194 C ILE A 12 2.162 -8.534 2.980 1.00 0.00 C ATOM 195 O ILE A 12 2.916 -7.661 3.400 1.00 0.00 O ATOM 196 CB ILE A 12 0.562 -8.134 1.017 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.260 -8.466 -0.460 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.498 -6.609 1.209 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.245 -8.496 -0.717 1.00 0.00 C ATOM 0 H ILE A 12 1.094 -10.497 0.760 1.00 0.00 H new ATOM 0 HA ILE A 12 2.692 -8.166 0.946 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.192 -8.605 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.728 -7.724 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.696 -9.432 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.471 -6.240 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.632 -6.369 2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.288 -6.135 0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.431 -8.732 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.707 -9.256 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.674 -7.521 -0.483 1.00 0.00 H new ATOM 211 N GLN A 13 1.583 -9.411 3.802 1.00 0.00 N ATOM 212 CA GLN A 13 1.684 -9.374 5.253 1.00 0.00 C ATOM 213 C GLN A 13 3.106 -9.672 5.741 1.00 0.00 C ATOM 214 O GLN A 13 3.436 -9.332 6.876 1.00 0.00 O ATOM 215 CB GLN A 13 0.618 -10.308 5.863 1.00 0.00 C ATOM 216 CG GLN A 13 -0.283 -9.599 6.886 1.00 0.00 C ATOM 217 CD GLN A 13 -1.653 -10.267 7.014 1.00 0.00 C ATOM 218 OE1 GLN A 13 -1.806 -11.458 6.765 1.00 0.00 O ATOM 219 NE2 GLN A 13 -2.672 -9.501 7.400 1.00 0.00 N ATOM 0 H GLN A 13 1.015 -10.187 3.462 1.00 0.00 H new ATOM 0 HA GLN A 13 1.478 -8.362 5.601 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.000 -10.717 5.064 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.114 -11.151 6.345 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.209 -9.595 7.859 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.415 -8.558 6.591 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.519 -8.513 7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.605 -9.903 7.494 1.00 0.00 H new ATOM 228 N LYS A 14 3.960 -10.269 4.901 1.00 0.00 N ATOM 229 CA LYS A 14 5.382 -10.440 5.180 1.00 0.00 C ATOM 230 C LYS A 14 6.181 -9.193 4.758 1.00 0.00 C ATOM 231 O LYS A 14 7.342 -9.056 5.137 1.00 0.00 O ATOM 232 CB LYS A 14 5.881 -11.744 4.535 1.00 0.00 C ATOM 233 CG LYS A 14 5.331 -12.945 5.336 1.00 0.00 C ATOM 234 CD LYS A 14 4.846 -14.105 4.456 1.00 0.00 C ATOM 235 CE LYS A 14 5.828 -15.279 4.367 1.00 0.00 C ATOM 236 NZ LYS A 14 5.398 -16.251 3.337 1.00 0.00 N ATOM 0 H LYS A 14 3.675 -10.650 3.999 1.00 0.00 H new ATOM 0 HA LYS A 14 5.541 -10.536 6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.551 -11.801 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.971 -11.766 4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.109 -13.310 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.505 -12.605 5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.896 -14.470 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.655 -13.729 3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.825 -14.907 4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.896 -15.775 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.078 -17.036 3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.457 -16.621 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.356 -15.780 2.411 1.00 0.00 H new ATOM 250 N HIS A 15 5.565 -8.256 4.025 1.00 0.00 N ATOM 251 CA HIS A 15 6.155 -6.989 3.603 1.00 0.00 C ATOM 252 C HIS A 15 5.632 -5.864 4.504 1.00 0.00 C ATOM 253 O HIS A 15 4.972 -4.929 4.049 1.00 0.00 O ATOM 254 CB HIS A 15 5.846 -6.754 2.117 1.00 0.00 C ATOM 255 CG HIS A 15 6.682 -7.588 1.181 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.534 -7.094 0.221 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.806 -8.952 1.174 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.157 -8.138 -0.349 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.751 -9.292 0.202 1.00 0.00 N ATOM 0 H HIS A 15 4.605 -8.369 3.700 1.00 0.00 H new ATOM 0 HA HIS A 15 7.240 -7.011 3.707 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.793 -6.968 1.937 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.001 -5.700 1.886 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.269 -9.642 1.807 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.885 -8.060 -1.143 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.069 -10.230 -0.040 1.00 0.00 H new ATOM 267 N LYS A 16 5.945 -5.975 5.799 1.00 0.00 N ATOM 268 CA LYS A 16 5.635 -4.969 6.807 1.00 0.00 C ATOM 269 C LYS A 16 6.832 -4.013 6.919 1.00 0.00 C ATOM 270 O LYS A 16 6.868 -2.981 6.246 1.00 0.00 O ATOM 271 CB LYS A 16 5.218 -5.671 8.125 1.00 0.00 C ATOM 272 CG LYS A 16 3.877 -5.134 8.628 1.00 0.00 C ATOM 273 CD LYS A 16 3.283 -5.957 9.777 1.00 0.00 C ATOM 274 CE LYS A 16 2.319 -7.008 9.205 1.00 0.00 C ATOM 275 NZ LYS A 16 1.799 -7.924 10.239 1.00 0.00 N ATOM 0 H LYS A 16 6.432 -6.787 6.179 1.00 0.00 H new ATOM 0 HA LYS A 16 4.779 -4.353 6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.146 -6.746 7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.985 -5.514 8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.008 -4.104 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.168 -5.115 7.800 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.079 -6.445 10.339 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.756 -5.304 10.473 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.484 -6.503 8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.832 -7.587 8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.154 -8.612 9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.591 -8.428 10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.285 -7.378 10.959 1.00 0.00 H new ATOM 334 N SER A 20 10.519 -2.739 2.473 1.00 0.00 N ATOM 335 CA SER A 20 9.477 -3.071 1.517 1.00 0.00 C ATOM 336 C SER A 20 8.132 -2.719 2.149 1.00 0.00 C ATOM 337 O SER A 20 7.479 -3.583 2.728 1.00 0.00 O ATOM 338 CB SER A 20 9.571 -4.543 1.092 1.00 0.00 C ATOM 339 OG SER A 20 8.862 -4.727 -0.119 1.00 0.00 O ATOM 0 HA SER A 20 9.595 -2.494 0.600 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.615 -4.830 0.963 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.158 -5.185 1.870 1.00 0.00 H new ATOM 0 HG SER A 20 8.159 -5.397 0.012 1.00 0.00 H new ATOM 345 N THR A 21 7.745 -1.444 2.097 1.00 0.00 N ATOM 346 CA THR A 21 6.492 -0.993 2.667 1.00 0.00 C ATOM 347 C THR A 21 5.422 -1.162 1.603 1.00 0.00 C ATOM 348 O THR A 21 5.274 -0.320 0.713 1.00 0.00 O ATOM 349 CB THR A 21 6.637 0.441 3.181 1.00 0.00 C ATOM 350 OG1 THR A 21 7.345 0.382 4.402 1.00 0.00 O ATOM 351 CG2 THR A 21 5.276 1.105 3.391 1.00 0.00 C ATOM 0 H THR A 21 8.294 -0.704 1.659 1.00 0.00 H new ATOM 0 HA THR A 21 6.200 -1.583 3.536 1.00 0.00 H new ATOM 0 HB THR A 21 7.171 1.042 2.446 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.711 0.286 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.420 2.122 3.756 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.735 1.132 2.445 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.702 0.535 4.121 1.00 0.00 H new ATOM 359 N TRP A 22 4.698 -2.276 1.698 1.00 0.00 N ATOM 360 CA TRP A 22 3.569 -2.557 0.838 1.00 0.00 C ATOM 361 C TRP A 22 2.283 -2.289 1.592 1.00 0.00 C ATOM 362 O TRP A 22 2.214 -2.485 2.802 1.00 0.00 O ATOM 363 CB TRP A 22 3.584 -4.007 0.405 1.00 0.00 C ATOM 364 CG TRP A 22 4.660 -4.393 -0.552 1.00 0.00 C ATOM 365 CD1 TRP A 22 5.740 -3.672 -0.923 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.698 -5.597 -1.352 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.424 -4.345 -1.908 1.00 0.00 N ATOM 368 CE2 TRP A 22 5.842 -5.562 -2.197 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.828 -6.689 -1.469 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.126 -6.598 -3.098 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.114 -7.750 -2.344 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.269 -7.710 -3.149 1.00 0.00 C ATOM 0 H TRP A 22 4.887 -3.009 2.382 1.00 0.00 H new ATOM 0 HA TRP A 22 3.633 -1.916 -0.042 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.676 -4.630 1.295 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.621 -4.240 -0.049 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.023 -2.715 -0.510 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.261 -3.988 -2.369 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.924 -6.715 -0.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 6.990 -6.542 -3.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.447 -8.598 -2.400 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.496 -8.536 -3.807 1.00 0.00 H new ATOM 383 N VAL A 23 1.251 -1.891 0.862 1.00 0.00 N ATOM 384 CA VAL A 23 -0.077 -1.654 1.398 1.00 0.00 C ATOM 385 C VAL A 23 -1.084 -2.001 0.313 1.00 0.00 C ATOM 386 O VAL A 23 -0.795 -1.816 -0.873 1.00 0.00 O ATOM 387 CB VAL A 23 -0.249 -0.190 1.842 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.306 0.076 3.242 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.422 0.790 0.883 1.00 0.00 C ATOM 0 H VAL A 23 1.318 -1.721 -0.141 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.233 -2.275 2.280 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.327 -0.031 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.156 1.124 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.213 -0.553 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.371 -0.153 3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.272 1.809 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.490 0.576 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.016 0.685 -0.110 1.00 0.00 H new ATOM 399 N ILE A 24 -2.257 -2.495 0.723 1.00 0.00 N ATOM 400 CA ILE A 24 -3.380 -2.705 -0.166 1.00 0.00 C ATOM 401 C ILE A 24 -4.414 -1.595 0.041 1.00 0.00 C ATOM 402 O ILE A 24 -4.952 -1.423 1.139 1.00 0.00 O ATOM 403 CB ILE A 24 -3.952 -4.124 -0.053 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.486 -4.476 1.336 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.885 -5.147 -0.438 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.992 -4.749 1.314 1.00 0.00 C ATOM 0 H ILE A 24 -2.444 -2.759 1.690 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.038 -2.636 -1.199 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.800 -4.153 -0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.963 -5.354 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.275 -3.658 2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.298 -6.152 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.564 -4.970 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.030 -5.050 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.332 -4.995 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.517 -3.862 0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.201 -5.585 0.646 1.00 0.00 H new ATOM 418 N LEU A 25 -4.633 -0.803 -1.013 1.00 0.00 N ATOM 419 CA LEU A 25 -5.445 0.406 -0.969 1.00 0.00 C ATOM 420 C LEU A 25 -6.510 0.302 -2.056 1.00 0.00 C ATOM 421 O LEU A 25 -6.233 0.542 -3.229 1.00 0.00 O ATOM 422 CB LEU A 25 -4.568 1.650 -1.135 1.00 0.00 C ATOM 423 CG LEU A 25 -3.564 1.803 0.021 1.00 0.00 C ATOM 424 CD1 LEU A 25 -2.302 2.454 -0.515 1.00 0.00 C ATOM 425 CD2 LEU A 25 -4.106 2.710 1.120 1.00 0.00 C ATOM 0 H LEU A 25 -4.241 -0.992 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.936 0.503 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.027 1.590 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.201 2.536 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.375 0.812 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.580 2.569 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.873 1.828 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.545 3.434 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.369 2.794 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.309 3.699 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.028 2.287 1.519 1.00 0.00 H new ATOM 437 N HIS A 26 -7.723 -0.085 -1.668 1.00 0.00 N ATOM 438 CA HIS A 26 -8.836 -0.303 -2.590 1.00 0.00 C ATOM 439 C HIS A 26 -8.521 -1.435 -3.581 1.00 0.00 C ATOM 440 O HIS A 26 -8.526 -1.233 -4.794 1.00 0.00 O ATOM 441 CB HIS A 26 -9.221 0.991 -3.331 1.00 0.00 C ATOM 442 CG HIS A 26 -9.437 2.193 -2.451 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.657 2.673 -2.033 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.485 3.113 -2.101 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.439 3.855 -1.435 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.132 4.166 -1.457 1.00 0.00 N ATOM 0 H HIS A 26 -7.964 -0.258 -0.692 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.697 -0.607 -1.995 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.438 1.225 -4.052 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.133 0.808 -3.899 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.424 3.036 -2.290 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.209 4.472 -0.996 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.699 5.007 -1.077 1.00 0.00 H new ATOM 454 N HIS A 27 -8.280 -2.644 -3.061 1.00 0.00 N ATOM 455 CA HIS A 27 -8.120 -3.858 -3.864 1.00 0.00 C ATOM 456 C HIS A 27 -7.036 -3.720 -4.944 1.00 0.00 C ATOM 457 O HIS A 27 -7.221 -4.129 -6.088 1.00 0.00 O ATOM 458 CB HIS A 27 -9.490 -4.325 -4.407 1.00 0.00 C ATOM 459 CG HIS A 27 -10.016 -5.549 -3.704 1.00 0.00 C ATOM 460 ND1 HIS A 27 -9.528 -6.828 -3.850 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.068 -5.600 -2.831 1.00 0.00 C ATOM 462 CE1 HIS A 27 -10.269 -7.632 -3.068 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.222 -6.931 -2.434 1.00 0.00 N ATOM 0 H HIS A 27 -8.190 -2.807 -2.058 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.748 -4.650 -3.214 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.211 -3.515 -4.302 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.400 -4.536 -5.473 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.670 -4.764 -2.507 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.118 -8.696 -2.964 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.922 -7.298 -1.789 1.00 0.00 H new ATOM 471 N LYS A 28 -5.866 -3.217 -4.554 1.00 0.00 N ATOM 472 CA LYS A 28 -4.658 -3.194 -5.365 1.00 0.00 C ATOM 473 C LYS A 28 -3.487 -3.068 -4.405 1.00 0.00 C ATOM 474 O LYS A 28 -3.668 -2.468 -3.345 1.00 0.00 O ATOM 475 CB LYS A 28 -4.690 -2.021 -6.351 1.00 0.00 C ATOM 476 CG LYS A 28 -5.224 -2.442 -7.728 1.00 0.00 C ATOM 477 CD LYS A 28 -6.425 -1.575 -8.122 1.00 0.00 C ATOM 478 CE LYS A 28 -7.008 -2.042 -9.464 1.00 0.00 C ATOM 479 NZ LYS A 28 -6.351 -1.392 -10.613 1.00 0.00 N ATOM 0 H LYS A 28 -5.732 -2.801 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.570 -4.103 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.316 -1.225 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.686 -1.612 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.437 -2.346 -8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.516 -3.492 -7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.190 -1.630 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.119 -0.531 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.899 -3.123 -9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.076 -1.827 -9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.776 -1.737 -11.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.477 -0.362 -10.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.336 -1.618 -10.606 1.00 0.00 H new ATOM 493 N VAL A 29 -2.333 -3.647 -4.755 1.00 0.00 N ATOM 494 CA VAL A 29 -1.143 -3.626 -3.920 1.00 0.00 C ATOM 495 C VAL A 29 -0.206 -2.547 -4.452 1.00 0.00 C ATOM 496 O VAL A 29 0.092 -2.507 -5.650 1.00 0.00 O ATOM 497 CB VAL A 29 -0.439 -4.999 -3.857 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.552 -4.985 -2.684 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.412 -6.171 -3.680 1.00 0.00 C ATOM 0 H VAL A 29 -2.205 -4.146 -5.635 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.436 -3.398 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 29 0.067 -5.151 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.059 -5.948 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.288 -4.196 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.013 -4.801 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.853 -7.106 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.969 -6.045 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.107 -6.197 -4.519 1.00 0.00 H new ATOM 509 N TYR A 30 0.248 -1.678 -3.548 1.00 0.00 N ATOM 510 CA TYR A 30 1.158 -0.586 -3.849 1.00 0.00 C ATOM 511 C TYR A 30 2.443 -0.784 -3.053 1.00 0.00 C ATOM 512 O TYR A 30 2.357 -1.105 -1.867 1.00 0.00 O ATOM 513 CB TYR A 30 0.485 0.738 -3.476 1.00 0.00 C ATOM 514 CG TYR A 30 -0.851 0.942 -4.160 1.00 0.00 C ATOM 515 CD1 TYR A 30 -2.018 0.382 -3.617 1.00 0.00 C ATOM 516 CD2 TYR A 30 -0.898 1.537 -5.427 1.00 0.00 C ATOM 517 CE1 TYR A 30 -3.226 0.468 -4.323 1.00 0.00 C ATOM 518 CE2 TYR A 30 -2.123 1.674 -6.106 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.298 1.171 -5.532 1.00 0.00 C ATOM 520 OH TYR A 30 -4.496 1.304 -6.169 1.00 0.00 O ATOM 0 H TYR A 30 -0.017 -1.720 -2.564 1.00 0.00 H new ATOM 0 HA TYR A 30 1.401 -0.568 -4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.342 0.774 -2.396 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.149 1.562 -3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.985 -0.114 -2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.012 1.893 -5.886 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.110 -0.013 -3.931 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.157 2.166 -7.067 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.373 1.820 -6.993 1.00 0.00 H new ATOM 530 N ASP A 31 3.605 -0.587 -3.692 1.00 0.00 N ATOM 531 CA ASP A 31 4.898 -0.521 -3.011 1.00 0.00 C ATOM 532 C ASP A 31 5.232 0.952 -2.839 1.00 0.00 C ATOM 533 O ASP A 31 5.272 1.691 -3.822 1.00 0.00 O ATOM 534 CB ASP A 31 6.017 -1.219 -3.799 1.00 0.00 C ATOM 535 CG ASP A 31 7.334 -1.241 -3.030 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.772 -0.157 -2.583 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.884 -2.349 -2.844 1.00 0.00 O ATOM 0 H ASP A 31 3.670 -0.469 -4.703 1.00 0.00 H new ATOM 0 HA ASP A 31 4.827 -1.040 -2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.715 -2.241 -4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.162 -0.708 -4.751 1.00 0.00 H new ATOM 542 N LEU A 32 5.438 1.382 -1.596 1.00 0.00 N ATOM 543 CA LEU A 32 5.724 2.778 -1.291 1.00 0.00 C ATOM 544 C LEU A 32 7.108 2.918 -0.651 1.00 0.00 C ATOM 545 O LEU A 32 7.384 3.889 0.051 1.00 0.00 O ATOM 546 CB LEU A 32 4.598 3.306 -0.397 1.00 0.00 C ATOM 547 CG LEU A 32 3.217 3.200 -1.075 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.134 3.320 -0.014 1.00 0.00 C ATOM 549 CD2 LEU A 32 2.956 4.261 -2.152 1.00 0.00 C ATOM 0 H LEU A 32 5.411 0.774 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 32 5.756 3.377 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.586 2.746 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.797 4.347 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 32 3.202 2.233 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.154 3.246 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.248 2.517 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.223 4.283 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.963 4.112 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.015 5.254 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.704 4.171 -2.940 1.00 0.00 H new ATOM 561 N THR A 33 8.012 1.977 -0.919 1.00 0.00 N ATOM 562 CA THR A 33 9.302 1.899 -0.250 1.00 0.00 C ATOM 563 C THR A 33 10.174 3.116 -0.546 1.00 0.00 C ATOM 564 O THR A 33 10.781 3.677 0.362 1.00 0.00 O ATOM 565 CB THR A 33 9.951 0.558 -0.591 1.00 0.00 C ATOM 566 OG1 THR A 33 8.995 -0.435 -0.290 1.00 0.00 O ATOM 567 CG2 THR A 33 11.206 0.281 0.235 1.00 0.00 C ATOM 0 H THR A 33 7.865 1.243 -1.612 1.00 0.00 H new ATOM 0 HA THR A 33 9.167 1.932 0.831 1.00 0.00 H new ATOM 0 HB THR A 33 10.252 0.566 -1.639 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.328 -0.474 -1.006 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.624 -0.685 -0.050 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.942 1.063 0.051 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.949 0.266 1.294 1.00 0.00 H new ATOM 575 N LYS A 34 10.198 3.570 -1.801 1.00 0.00 N ATOM 576 CA LYS A 34 10.890 4.801 -2.162 1.00 0.00 C ATOM 577 C LYS A 34 9.999 6.034 -1.982 1.00 0.00 C ATOM 578 O LYS A 34 10.367 7.115 -2.433 1.00 0.00 O ATOM 579 CB LYS A 34 11.388 4.695 -3.604 1.00 0.00 C ATOM 580 CG LYS A 34 12.403 3.555 -3.767 1.00 0.00 C ATOM 581 CD LYS A 34 13.695 4.118 -4.387 1.00 0.00 C ATOM 582 CE LYS A 34 14.650 3.032 -4.898 1.00 0.00 C ATOM 583 NZ LYS A 34 14.271 2.546 -6.242 1.00 0.00 N ATOM 0 H LYS A 34 9.744 3.099 -2.584 1.00 0.00 H new ATOM 0 HA LYS A 34 11.739 4.928 -1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.542 4.528 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.847 5.638 -3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.617 3.100 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.990 2.772 -4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.434 4.780 -5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.212 4.725 -3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.665 3.428 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.655 2.196 -4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.943 1.814 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.312 2.144 -6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.291 3.338 -6.916 1.00 0.00 H new ATOM 597 N PHE A 35 8.834 5.885 -1.345 1.00 0.00 N ATOM 598 CA PHE A 35 7.900 6.973 -1.105 1.00 0.00 C ATOM 599 C PHE A 35 7.782 7.269 0.391 1.00 0.00 C ATOM 600 O PHE A 35 7.142 8.238 0.774 1.00 0.00 O ATOM 601 CB PHE A 35 6.555 6.615 -1.737 1.00 0.00 C ATOM 602 CG PHE A 35 5.472 7.666 -1.597 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.675 8.970 -2.083 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.282 7.354 -0.920 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.676 9.944 -1.924 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.263 8.307 -0.808 1.00 0.00 C ATOM 607 CZ PHE A 35 3.468 9.611 -1.286 1.00 0.00 C ATOM 0 H PHE A 35 8.514 4.988 -0.978 1.00 0.00 H new ATOM 0 HA PHE A 35 8.265 7.889 -1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.712 6.418 -2.798 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.198 5.687 -1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.600 9.223 -2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.152 6.375 -0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.835 10.947 -2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.320 8.039 -0.354 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.698 10.358 -1.164 1.00 0.00 H new ATOM 617 N LEU A 36 8.415 6.462 1.244 1.00 0.00 N ATOM 618 CA LEU A 36 8.316 6.581 2.685 1.00 0.00 C ATOM 619 C LEU A 36 8.568 8.014 3.167 1.00 0.00 C ATOM 620 O LEU A 36 7.669 8.658 3.700 1.00 0.00 O ATOM 621 CB LEU A 36 9.305 5.593 3.316 1.00 0.00 C ATOM 622 CG LEU A 36 8.862 4.123 3.288 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.840 3.259 4.096 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.444 3.937 3.833 1.00 0.00 C ATOM 0 H LEU A 36 9.018 5.698 0.940 1.00 0.00 H new ATOM 0 HA LEU A 36 7.300 6.339 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.261 5.679 2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.476 5.885 4.352 1.00 0.00 H new ATOM 0 HG LEU A 36 8.863 3.807 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.515 2.219 4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.838 3.339 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.863 3.605 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.174 2.882 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.403 4.283 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.743 4.513 3.229 1.00 0.00 H new ATOM 636 N GLU A 37 9.790 8.519 2.989 1.00 0.00 N ATOM 637 CA GLU A 37 10.136 9.865 3.435 1.00 0.00 C ATOM 638 C GLU A 37 9.436 10.919 2.565 1.00 0.00 C ATOM 639 O GLU A 37 8.951 11.927 3.070 1.00 0.00 O ATOM 640 CB GLU A 37 11.665 10.035 3.449 1.00 0.00 C ATOM 641 CG GLU A 37 12.150 10.541 4.812 1.00 0.00 C ATOM 642 CD GLU A 37 13.668 10.644 4.844 1.00 0.00 C ATOM 643 OE1 GLU A 37 14.300 9.574 4.974 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.167 11.782 4.715 1.00 0.00 O ATOM 0 H GLU A 37 10.554 8.015 2.539 1.00 0.00 H new ATOM 0 HA GLU A 37 9.780 10.013 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.142 9.082 3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.963 10.736 2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.711 11.517 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.811 9.865 5.597 1.00 0.00 H new ATOM 651 N GLU A 38 9.390 10.668 1.252 1.00 0.00 N ATOM 652 CA GLU A 38 8.757 11.541 0.267 1.00 0.00 C ATOM 653 C GLU A 38 7.295 11.852 0.622 1.00 0.00 C ATOM 654 O GLU A 38 6.830 12.963 0.375 1.00 0.00 O ATOM 655 CB GLU A 38 8.866 10.889 -1.123 1.00 0.00 C ATOM 656 CG GLU A 38 10.024 11.438 -1.972 1.00 0.00 C ATOM 657 CD GLU A 38 9.529 12.455 -2.995 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.780 12.018 -3.896 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.903 13.638 -2.859 1.00 0.00 O ATOM 0 H GLU A 38 9.803 9.832 0.839 1.00 0.00 H new ATOM 0 HA GLU A 38 9.280 12.498 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.994 9.813 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.930 11.040 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.765 11.904 -1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.523 10.616 -2.486 1.00 0.00 H new ATOM 666 N HIS A 39 6.559 10.878 1.163 1.00 0.00 N ATOM 667 CA HIS A 39 5.152 11.018 1.511 1.00 0.00 C ATOM 668 C HIS A 39 4.916 12.276 2.357 1.00 0.00 C ATOM 669 O HIS A 39 5.372 12.322 3.502 1.00 0.00 O ATOM 670 CB HIS A 39 4.670 9.759 2.241 1.00 0.00 C ATOM 671 CG HIS A 39 3.269 9.849 2.795 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.945 9.804 4.127 1.00 0.00 N ATOM 673 CD2 HIS A 39 2.093 9.865 2.094 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.607 9.774 4.223 1.00 0.00 C ATOM 675 NE2 HIS A 39 1.035 9.797 3.004 1.00 0.00 N ATOM 0 H HIS A 39 6.936 9.954 1.374 1.00 0.00 H new ATOM 0 HA HIS A 39 4.573 11.131 0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.721 8.915 1.553 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.357 9.545 3.060 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.604 9.795 4.906 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.999 9.921 1.020 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.061 9.736 5.154 1.00 0.00 H new ATOM 683 N PRO A 40 4.189 13.284 1.834 1.00 0.00 N ATOM 684 CA PRO A 40 3.895 14.509 2.558 1.00 0.00 C ATOM 685 C PRO A 40 2.925 14.184 3.692 1.00 0.00 C ATOM 686 O PRO A 40 1.712 14.318 3.554 1.00 0.00 O ATOM 687 CB PRO A 40 3.311 15.485 1.533 1.00 0.00 C ATOM 688 CG PRO A 40 2.738 14.579 0.450 1.00 0.00 C ATOM 689 CD PRO A 40 3.572 13.302 0.516 1.00 0.00 C ATOM 0 HA PRO A 40 4.774 14.961 3.017 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.540 16.115 1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.076 16.150 1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.683 14.370 0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.809 15.046 -0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.947 12.421 0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.329 13.291 -0.268 1.00 0.00 H new ATOM 697 N GLY A 41 3.487 13.710 4.799 1.00 0.00 N ATOM 698 CA GLY A 41 2.752 13.173 5.928 1.00 0.00 C ATOM 699 C GLY A 41 3.671 12.312 6.786 1.00 0.00 C ATOM 700 O GLY A 41 3.515 12.284 8.004 1.00 0.00 O ATOM 0 H GLY A 41 4.498 13.690 4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.341 13.987 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.909 12.579 5.575 1.00 0.00 H new ATOM 704 N GLY A 42 4.642 11.626 6.164 1.00 0.00 N ATOM 705 CA GLY A 42 5.654 10.886 6.897 1.00 0.00 C ATOM 706 C GLY A 42 5.793 9.442 6.476 1.00 0.00 C ATOM 707 O GLY A 42 4.910 8.878 5.831 1.00 0.00 O ATOM 0 H GLY A 42 4.739 11.575 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.615 11.384 6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.415 10.921 7.960 1.00 0.00 H new ATOM 711 N GLU A 43 6.887 8.838 6.938 1.00 0.00 N ATOM 712 CA GLU A 43 7.197 7.448 6.697 1.00 0.00 C ATOM 713 C GLU A 43 6.491 6.561 7.741 1.00 0.00 C ATOM 714 O GLU A 43 6.023 5.471 7.421 1.00 0.00 O ATOM 715 CB GLU A 43 8.732 7.304 6.796 1.00 0.00 C ATOM 716 CG GLU A 43 9.274 5.864 6.799 1.00 0.00 C ATOM 717 CD GLU A 43 9.553 5.253 8.159 1.00 0.00 C ATOM 718 OE1 GLU A 43 9.170 5.853 9.181 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.175 4.168 8.129 1.00 0.00 O ATOM 0 H GLU A 43 7.590 9.319 7.500 1.00 0.00 H new ATOM 0 HA GLU A 43 6.850 7.130 5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.182 7.839 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.066 7.799 7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.558 5.228 6.279 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.197 5.845 6.220 1.00 0.00 H new ATOM 726 N GLU A 44 6.420 7.011 8.999 1.00 0.00 N ATOM 727 CA GLU A 44 6.009 6.162 10.113 1.00 0.00 C ATOM 728 C GLU A 44 4.582 5.650 9.918 1.00 0.00 C ATOM 729 O GLU A 44 4.351 4.444 9.933 1.00 0.00 O ATOM 730 CB GLU A 44 6.193 6.902 11.445 1.00 0.00 C ATOM 731 CG GLU A 44 6.216 5.928 12.636 1.00 0.00 C ATOM 732 CD GLU A 44 6.475 6.632 13.966 1.00 0.00 C ATOM 733 OE1 GLU A 44 6.602 7.876 13.945 1.00 0.00 O ATOM 734 OE2 GLU A 44 6.543 5.910 14.983 1.00 0.00 O ATOM 0 H GLU A 44 6.645 7.969 9.268 1.00 0.00 H new ATOM 0 HA GLU A 44 6.652 5.282 10.141 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.123 7.470 11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.384 7.620 11.577 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.263 5.401 12.688 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.988 5.176 12.471 1.00 0.00 H new ATOM 741 N VAL A 45 3.618 6.548 9.676 1.00 0.00 N ATOM 742 CA VAL A 45 2.254 6.190 9.388 1.00 0.00 C ATOM 743 C VAL A 45 2.184 5.209 8.208 1.00 0.00 C ATOM 744 O VAL A 45 1.387 4.270 8.222 1.00 0.00 O ATOM 745 CB VAL A 45 1.473 7.498 9.182 1.00 0.00 C ATOM 746 CG1 VAL A 45 2.026 8.420 8.079 1.00 0.00 C ATOM 747 CG2 VAL A 45 0.045 7.158 8.850 1.00 0.00 C ATOM 0 H VAL A 45 3.783 7.555 9.679 1.00 0.00 H new ATOM 0 HA VAL A 45 1.791 5.648 10.213 1.00 0.00 H new ATOM 0 HB VAL A 45 1.568 8.054 10.115 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.408 9.316 8.010 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.050 8.703 8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.011 7.894 7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.522 8.077 8.701 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.016 6.561 7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.394 6.590 9.670 1.00 0.00 H new ATOM 757 N LEU A 46 3.053 5.395 7.209 1.00 0.00 N ATOM 758 CA LEU A 46 3.210 4.438 6.132 1.00 0.00 C ATOM 759 C LEU A 46 3.586 3.067 6.701 1.00 0.00 C ATOM 760 O LEU A 46 2.886 2.079 6.468 1.00 0.00 O ATOM 761 CB LEU A 46 4.204 4.963 5.076 1.00 0.00 C ATOM 762 CG LEU A 46 3.534 5.506 3.811 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.923 4.366 2.997 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.497 6.583 4.134 1.00 0.00 C ATOM 0 H LEU A 46 3.660 6.211 7.133 1.00 0.00 H new ATOM 0 HA LEU A 46 2.262 4.310 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.810 5.752 5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.884 4.157 4.798 1.00 0.00 H new ATOM 0 HG LEU A 46 4.304 5.983 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.451 4.771 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.706 3.664 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.176 3.849 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.045 6.942 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.724 6.162 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.982 7.413 4.647 1.00 0.00 H new ATOM 776 N ARG A 47 4.678 3.005 7.465 1.00 0.00 N ATOM 777 CA ARG A 47 5.194 1.742 7.971 1.00 0.00 C ATOM 778 C ARG A 47 4.265 1.041 8.961 1.00 0.00 C ATOM 779 O ARG A 47 4.247 -0.184 9.032 1.00 0.00 O ATOM 780 CB ARG A 47 6.635 1.871 8.497 1.00 0.00 C ATOM 781 CG ARG A 47 7.517 0.910 7.692 1.00 0.00 C ATOM 782 CD ARG A 47 8.835 0.542 8.377 1.00 0.00 C ATOM 783 NE ARG A 47 9.862 1.572 8.185 1.00 0.00 N ATOM 784 CZ ARG A 47 11.176 1.349 8.063 1.00 0.00 C ATOM 785 NH1 ARG A 47 11.684 0.138 8.328 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.964 2.351 7.677 1.00 0.00 N ATOM 0 H ARG A 47 5.221 3.822 7.745 1.00 0.00 H new ATOM 0 HA ARG A 47 5.230 1.078 7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.990 2.896 8.390 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.677 1.629 9.559 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.955 -0.003 7.497 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.737 1.361 6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.661 0.398 9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.196 -0.408 7.982 1.00 0.00 H new ATOM 0 HE ARG A 47 9.548 2.541 8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.069 -0.620 8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.686 -0.026 8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.563 3.268 7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.968 2.201 7.578 1.00 0.00 H new ATOM 800 N GLU A 48 3.483 1.814 9.703 1.00 0.00 N ATOM 801 CA GLU A 48 2.521 1.332 10.674 1.00 0.00 C ATOM 802 C GLU A 48 1.488 0.419 10.010 1.00 0.00 C ATOM 803 O GLU A 48 1.218 -0.679 10.494 1.00 0.00 O ATOM 804 CB GLU A 48 1.852 2.555 11.316 1.00 0.00 C ATOM 805 CG GLU A 48 2.526 2.954 12.633 1.00 0.00 C ATOM 806 CD GLU A 48 2.147 1.996 13.756 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.972 2.067 14.177 1.00 0.00 O ATOM 808 OE2 GLU A 48 3.023 1.201 14.157 1.00 0.00 O ATOM 0 H GLU A 48 3.505 2.832 9.639 1.00 0.00 H new ATOM 0 HA GLU A 48 3.020 0.737 11.439 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.889 3.394 10.621 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.800 2.338 11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.608 2.958 12.504 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.233 3.969 12.902 1.00 0.00 H new ATOM 815 N GLN A 49 0.885 0.889 8.914 1.00 0.00 N ATOM 816 CA GLN A 49 -0.184 0.163 8.232 1.00 0.00 C ATOM 817 C GLN A 49 0.353 -0.749 7.130 1.00 0.00 C ATOM 818 O GLN A 49 -0.350 -1.628 6.635 1.00 0.00 O ATOM 819 CB GLN A 49 -1.208 1.154 7.669 1.00 0.00 C ATOM 820 CG GLN A 49 -2.483 1.211 8.530 1.00 0.00 C ATOM 821 CD GLN A 49 -3.356 -0.037 8.382 1.00 0.00 C ATOM 822 OE1 GLN A 49 -2.887 -1.086 7.970 1.00 0.00 O ATOM 823 NE2 GLN A 49 -4.654 0.059 8.653 1.00 0.00 N ATOM 0 H GLN A 49 1.125 1.780 8.478 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.672 -0.480 8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.761 2.147 7.615 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.470 0.867 6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.204 1.331 9.577 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.064 2.090 8.252 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.039 0.938 8.997 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.264 -0.747 8.517 1.00 0.00 H new ATOM 832 N ALA A 50 1.597 -0.526 6.708 1.00 0.00 N ATOM 833 CA ALA A 50 2.323 -1.468 5.871 1.00 0.00 C ATOM 834 C ALA A 50 2.038 -2.919 6.265 1.00 0.00 C ATOM 835 O ALA A 50 1.925 -3.234 7.447 1.00 0.00 O ATOM 836 CB ALA A 50 3.819 -1.188 5.933 1.00 0.00 C ATOM 0 H ALA A 50 2.126 0.315 6.939 1.00 0.00 H new ATOM 0 HA ALA A 50 1.975 -1.331 4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.349 -1.901 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.015 -0.175 5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.165 -1.287 6.962 1.00 0.00 H new ATOM 842 N GLY A 51 1.905 -3.794 5.267 1.00 0.00 N ATOM 843 CA GLY A 51 1.563 -5.198 5.437 1.00 0.00 C ATOM 844 C GLY A 51 0.245 -5.531 4.753 1.00 0.00 C ATOM 845 O GLY A 51 0.093 -6.614 4.196 1.00 0.00 O ATOM 0 H GLY A 51 2.037 -3.532 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.357 -5.821 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.494 -5.432 6.499 1.00 0.00 H new ATOM 849 N GLY A 52 -0.728 -4.623 4.810 1.00 0.00 N ATOM 850 CA GLY A 52 -2.040 -4.847 4.244 1.00 0.00 C ATOM 851 C GLY A 52 -3.048 -4.010 5.013 1.00 0.00 C ATOM 852 O GLY A 52 -2.701 -3.371 5.998 1.00 0.00 O ATOM 0 H GLY A 52 -0.619 -3.711 5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.048 -4.574 3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.302 -5.903 4.303 1.00 0.00 H new ATOM 856 N ASP A 53 -4.284 -4.013 4.526 1.00 0.00 N ATOM 857 CA ASP A 53 -5.454 -3.415 5.146 1.00 0.00 C ATOM 858 C ASP A 53 -5.240 -1.959 5.570 1.00 0.00 C ATOM 859 O ASP A 53 -5.726 -1.511 6.611 1.00 0.00 O ATOM 860 CB ASP A 53 -5.968 -4.340 6.259 1.00 0.00 C ATOM 861 CG ASP A 53 -6.191 -5.752 5.725 1.00 0.00 C ATOM 862 OD1 ASP A 53 -6.959 -5.869 4.744 1.00 0.00 O ATOM 863 OD2 ASP A 53 -5.513 -6.672 6.232 1.00 0.00 O ATOM 0 H ASP A 53 -4.506 -4.460 3.636 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.245 -3.333 4.401 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.250 -4.365 7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.901 -3.947 6.664 1.00 0.00 H new ATOM 868 N ALA A 54 -4.575 -1.193 4.696 1.00 0.00 N ATOM 869 CA ALA A 54 -4.327 0.226 4.897 1.00 0.00 C ATOM 870 C ALA A 54 -5.471 1.086 4.369 1.00 0.00 C ATOM 871 O ALA A 54 -5.575 2.245 4.767 1.00 0.00 O ATOM 872 CB ALA A 54 -3.005 0.624 4.248 1.00 0.00 C ATOM 0 H ALA A 54 -4.193 -1.553 3.821 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.263 0.404 5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.829 1.688 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.193 0.052 4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.048 0.416 3.179 1.00 0.00 H new ATOM 878 N THR A 55 -6.313 0.544 3.475 1.00 0.00 N ATOM 879 CA THR A 55 -7.438 1.278 2.893 1.00 0.00 C ATOM 880 C THR A 55 -8.218 2.030 3.975 1.00 0.00 C ATOM 881 O THR A 55 -8.458 3.227 3.838 1.00 0.00 O ATOM 882 CB THR A 55 -8.374 0.370 2.072 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.686 -0.494 1.182 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.266 1.257 1.197 1.00 0.00 C ATOM 0 H THR A 55 -6.230 -0.415 3.138 1.00 0.00 H new ATOM 0 HA THR A 55 -7.015 2.005 2.200 1.00 0.00 H new ATOM 0 HB THR A 55 -8.926 -0.234 2.792 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.269 -1.242 0.936 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.936 0.631 0.608 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.854 1.921 1.831 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.644 1.852 0.528 1.00 0.00 H new ATOM 892 N GLU A 56 -8.580 1.324 5.052 1.00 0.00 N ATOM 893 CA GLU A 56 -9.343 1.877 6.162 1.00 0.00 C ATOM 894 C GLU A 56 -8.675 3.167 6.662 1.00 0.00 C ATOM 895 O GLU A 56 -9.302 4.218 6.711 1.00 0.00 O ATOM 896 CB GLU A 56 -9.507 0.782 7.236 1.00 0.00 C ATOM 897 CG GLU A 56 -10.769 0.932 8.101 1.00 0.00 C ATOM 898 CD GLU A 56 -10.497 1.695 9.388 1.00 0.00 C ATOM 899 OE1 GLU A 56 -10.620 2.935 9.343 1.00 0.00 O ATOM 900 OE2 GLU A 56 -10.149 1.024 10.381 1.00 0.00 O ATOM 0 H GLU A 56 -8.345 0.339 5.173 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.347 2.171 5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.530 -0.191 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.632 0.792 7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.539 1.450 7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.161 -0.056 8.342 1.00 0.00 H new ATOM 907 N ASN A 57 -7.365 3.116 6.915 1.00 0.00 N ATOM 908 CA ASN A 57 -6.602 4.247 7.438 1.00 0.00 C ATOM 909 C ASN A 57 -6.478 5.372 6.400 1.00 0.00 C ATOM 910 O ASN A 57 -6.684 6.550 6.686 1.00 0.00 O ATOM 911 CB ASN A 57 -5.222 3.747 7.877 1.00 0.00 C ATOM 912 CG ASN A 57 -4.679 4.538 9.062 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.166 5.638 8.907 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.753 3.966 10.261 1.00 0.00 N ATOM 0 H ASN A 57 -6.801 2.280 6.761 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.128 4.669 8.294 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.287 2.692 8.144 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.526 3.822 7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.377 4.445 11.079 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.186 3.048 10.362 1.00 0.00 H new ATOM 921 N PHE A 58 -6.137 5.003 5.162 1.00 0.00 N ATOM 922 CA PHE A 58 -6.033 5.946 4.056 1.00 0.00 C ATOM 923 C PHE A 58 -7.336 6.735 3.875 1.00 0.00 C ATOM 924 O PHE A 58 -7.286 7.953 3.690 1.00 0.00 O ATOM 925 CB PHE A 58 -5.632 5.189 2.785 1.00 0.00 C ATOM 926 CG PHE A 58 -5.558 6.022 1.517 1.00 0.00 C ATOM 927 CD1 PHE A 58 -6.697 6.165 0.704 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.336 6.575 1.095 1.00 0.00 C ATOM 929 CE1 PHE A 58 -6.618 6.866 -0.509 1.00 0.00 C ATOM 930 CE2 PHE A 58 -4.252 7.267 -0.127 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.395 7.415 -0.930 1.00 0.00 C ATOM 0 H PHE A 58 -5.926 4.039 4.903 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.259 6.681 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.659 4.727 2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.346 4.381 2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.637 5.733 1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.457 6.468 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.500 6.984 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.309 7.684 -0.448 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.334 7.949 -1.867 1.00 0.00 H new ATOM 941 N GLU A 59 -8.485 6.049 3.930 1.00 0.00 N ATOM 942 CA GLU A 59 -9.806 6.642 3.738 1.00 0.00 C ATOM 943 C GLU A 59 -10.336 7.308 5.012 1.00 0.00 C ATOM 944 O GLU A 59 -11.079 8.280 4.914 1.00 0.00 O ATOM 945 CB GLU A 59 -10.795 5.592 3.220 1.00 0.00 C ATOM 946 CG GLU A 59 -10.578 5.240 1.737 1.00 0.00 C ATOM 947 CD GLU A 59 -10.867 6.398 0.778 1.00 0.00 C ATOM 948 OE1 GLU A 59 -11.982 6.952 0.831 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.019 6.720 -0.088 1.00 0.00 O ATOM 0 H GLU A 59 -8.518 5.046 4.113 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.702 7.428 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.702 4.687 3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.812 5.961 3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.547 4.914 1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.217 4.396 1.476 1.00 0.00 H new ATOM 956 N ASP A 60 -9.941 6.834 6.197 1.00 0.00 N ATOM 957 CA ASP A 60 -10.127 7.569 7.448 1.00 0.00 C ATOM 958 C ASP A 60 -9.567 8.983 7.273 1.00 0.00 C ATOM 959 O ASP A 60 -10.259 9.972 7.509 1.00 0.00 O ATOM 960 CB ASP A 60 -9.447 6.831 8.609 1.00 0.00 C ATOM 961 CG ASP A 60 -9.395 7.686 9.869 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.379 7.641 10.637 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.368 8.378 10.036 1.00 0.00 O ATOM 0 H ASP A 60 -9.484 5.930 6.314 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.188 7.637 7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.986 5.907 8.818 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.435 6.550 8.318 1.00 0.00 H new ATOM 968 N VAL A 61 -8.330 9.075 6.771 1.00 0.00 N ATOM 969 CA VAL A 61 -7.735 10.356 6.403 1.00 0.00 C ATOM 970 C VAL A 61 -8.368 10.932 5.130 1.00 0.00 C ATOM 971 O VAL A 61 -8.376 12.146 4.928 1.00 0.00 O ATOM 972 CB VAL A 61 -6.204 10.232 6.353 1.00 0.00 C ATOM 973 CG1 VAL A 61 -5.548 11.534 5.870 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.687 9.917 7.764 1.00 0.00 C ATOM 0 H VAL A 61 -7.723 8.271 6.611 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.957 11.093 7.175 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.949 9.437 5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.465 11.409 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.907 11.773 4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.806 12.345 6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.601 9.826 7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.970 10.721 8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.122 8.979 8.110 1.00 0.00 H new ATOM 984 N GLY A 62 -8.893 10.088 4.245 1.00 0.00 N ATOM 985 CA GLY A 62 -9.667 10.514 3.089 1.00 0.00 C ATOM 986 C GLY A 62 -8.744 10.783 1.909 1.00 0.00 C ATOM 987 O GLY A 62 -8.988 10.285 0.811 1.00 0.00 O ATOM 0 H GLY A 62 -8.789 9.076 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.393 9.745 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.231 11.415 3.332 1.00 0.00 H new ATOM 991 N HIS A 63 -7.688 11.569 2.154 1.00 0.00 N ATOM 992 CA HIS A 63 -6.726 12.003 1.149 1.00 0.00 C ATOM 993 C HIS A 63 -7.402 12.854 0.064 1.00 0.00 C ATOM 994 O HIS A 63 -8.612 13.080 0.081 1.00 0.00 O ATOM 995 CB HIS A 63 -5.965 10.801 0.556 1.00 0.00 C ATOM 996 CG HIS A 63 -4.893 10.254 1.459 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.060 9.405 2.530 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.553 10.481 1.310 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.830 9.146 3.016 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -2.871 9.770 2.298 1.00 0.00 N ATOM 0 H HIS A 63 -7.479 11.928 3.086 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.988 12.640 1.637 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.677 10.007 0.331 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.513 11.100 -0.389 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -5.944 9.042 2.887 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.099 11.105 0.555 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.635 8.518 3.873 1.00 0.00 H new ATOM 1008 N SER A 64 -6.608 13.358 -0.883 1.00 0.00 N ATOM 1009 CA SER A 64 -7.119 14.002 -2.077 1.00 0.00 C ATOM 1010 C SER A 64 -7.333 12.962 -3.173 1.00 0.00 C ATOM 1011 O SER A 64 -6.901 11.812 -3.075 1.00 0.00 O ATOM 1012 CB SER A 64 -6.119 15.063 -2.535 1.00 0.00 C ATOM 1013 OG SER A 64 -4.843 14.473 -2.720 1.00 0.00 O ATOM 0 H SER A 64 -5.590 13.327 -0.835 1.00 0.00 H new ATOM 0 HA SER A 64 -8.076 14.478 -1.863 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.458 15.517 -3.466 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.057 15.861 -1.795 1.00 0.00 H new ATOM 0 HG SER A 64 -4.206 15.157 -3.015 1.00 0.00 H new ATOM 1019 N THR A 65 -7.966 13.396 -4.260 1.00 0.00 N ATOM 1020 CA THR A 65 -8.085 12.581 -5.458 1.00 0.00 C ATOM 1021 C THR A 65 -6.714 12.386 -6.109 1.00 0.00 C ATOM 1022 O THR A 65 -6.418 11.293 -6.586 1.00 0.00 O ATOM 1023 CB THR A 65 -9.114 13.207 -6.405 1.00 0.00 C ATOM 1024 OG1 THR A 65 -10.310 13.404 -5.678 1.00 0.00 O ATOM 1025 CG2 THR A 65 -9.388 12.305 -7.611 1.00 0.00 C ATOM 0 H THR A 65 -8.406 14.314 -4.332 1.00 0.00 H new ATOM 0 HA THR A 65 -8.447 11.586 -5.199 1.00 0.00 H new ATOM 0 HB THR A 65 -8.725 14.152 -6.784 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.986 13.806 -6.263 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.122 12.780 -8.261 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.462 12.146 -8.164 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.775 11.346 -7.267 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.870 13.422 -6.084 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.528 13.391 -6.653 1.00 0.00 C ATOM 1035 C ASP A 66 -3.788 12.135 -6.188 1.00 0.00 C ATOM 1036 O ASP A 66 -3.355 11.319 -6.996 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.766 14.669 -6.263 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.043 15.255 -7.465 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -1.901 14.811 -7.708 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.650 16.140 -8.103 1.00 0.00 O ATOM 0 H ASP A 66 -6.108 14.318 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.595 13.355 -7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.462 15.404 -5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.047 14.443 -5.475 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.728 11.938 -4.867 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.161 10.748 -4.242 1.00 0.00 C ATOM 1047 C ALA A 67 -3.737 9.448 -4.827 1.00 0.00 C ATOM 1048 O ALA A 67 -2.997 8.481 -4.998 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.416 10.794 -2.735 1.00 0.00 C ATOM 0 H ALA A 67 -4.080 12.617 -4.193 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.090 10.748 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.993 9.905 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.948 11.684 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.489 10.826 -2.548 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.044 9.394 -5.125 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.653 8.198 -5.703 1.00 0.00 C ATOM 1057 C ARG A 68 -5.088 7.919 -7.094 1.00 0.00 C ATOM 1058 O ARG A 68 -4.946 6.755 -7.459 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.190 8.262 -5.751 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.824 8.398 -4.358 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.938 7.358 -4.114 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.679 7.585 -2.850 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.691 8.453 -2.691 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.067 9.235 -3.711 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.334 8.523 -1.526 1.00 0.00 N ATOM 0 H ARG A 68 -5.694 10.165 -4.974 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.395 7.374 -5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.495 9.107 -6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.572 7.362 -6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.051 8.284 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.236 9.401 -4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.639 7.383 -4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.498 6.361 -4.096 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.398 7.038 -2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.585 9.171 -4.608 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.836 9.895 -3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.058 7.917 -0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.103 9.183 -1.407 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.747 8.948 -7.870 1.00 0.00 N ATOM 1080 CA GLU A 69 -4.110 8.725 -9.158 1.00 0.00 C ATOM 1081 C GLU A 69 -2.617 8.441 -8.974 1.00 0.00 C ATOM 1082 O GLU A 69 -2.066 7.546 -9.608 1.00 0.00 O ATOM 1083 CB GLU A 69 -4.389 9.889 -10.114 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.898 9.993 -10.371 1.00 0.00 C ATOM 1085 CD GLU A 69 -6.202 10.895 -11.558 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -5.966 12.113 -11.419 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -6.656 10.341 -12.582 1.00 0.00 O ATOM 0 H GLU A 69 -4.900 9.928 -7.630 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.542 7.839 -9.623 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.017 10.821 -9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.859 9.736 -11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.306 8.999 -10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.393 10.382 -9.481 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.958 9.158 -8.067 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.551 8.944 -7.757 1.00 0.00 C ATOM 1096 C LEU A 70 -0.332 7.501 -7.288 1.00 0.00 C ATOM 1097 O LEU A 70 0.666 6.879 -7.642 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.083 9.985 -6.726 1.00 0.00 C ATOM 1099 CG LEU A 70 1.384 10.435 -6.871 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.368 9.273 -6.754 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.625 11.216 -8.170 1.00 0.00 C ATOM 0 H LEU A 70 -2.389 9.907 -7.525 1.00 0.00 H new ATOM 0 HA LEU A 70 0.057 9.082 -8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.725 10.863 -6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.223 9.573 -5.727 1.00 0.00 H new ATOM 0 HG LEU A 70 1.570 11.108 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.386 9.646 -6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.258 8.800 -5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.163 8.543 -7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.672 11.512 -8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.378 10.586 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.995 12.106 -8.182 1.00 0.00 H new ATOM 1113 N SER A 71 -1.285 6.933 -6.534 1.00 0.00 N ATOM 1114 CA SER A 71 -1.223 5.536 -6.129 1.00 0.00 C ATOM 1115 C SER A 71 -0.928 4.640 -7.334 1.00 0.00 C ATOM 1116 O SER A 71 -0.080 3.761 -7.250 1.00 0.00 O ATOM 1117 CB SER A 71 -2.488 5.094 -5.374 1.00 0.00 C ATOM 1118 OG SER A 71 -3.565 4.777 -6.229 1.00 0.00 O ATOM 0 H SER A 71 -2.109 7.430 -6.195 1.00 0.00 H new ATOM 0 HA SER A 71 -0.398 5.430 -5.424 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.252 4.224 -4.761 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.794 5.890 -4.695 1.00 0.00 H new ATOM 0 HG SER A 71 -3.891 5.594 -6.661 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.571 4.885 -8.478 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.371 4.082 -9.673 1.00 0.00 C ATOM 1126 C LYS A 72 0.111 3.993 -10.059 1.00 0.00 C ATOM 1127 O LYS A 72 0.612 2.910 -10.340 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.267 4.594 -10.809 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.363 3.571 -11.127 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.436 4.196 -12.026 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.543 3.172 -12.316 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.355 3.554 -13.491 1.00 0.00 N ATOM 0 H LYS A 72 -2.242 5.645 -8.596 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.674 3.056 -9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.719 5.544 -10.524 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.666 4.781 -11.699 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.926 2.703 -11.621 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.817 3.216 -10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.861 5.075 -11.541 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.987 4.533 -12.961 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.096 2.193 -12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.189 3.079 -11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.091 2.837 -13.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.803 4.477 -13.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.743 3.618 -14.330 1.00 0.00 H new ATOM 1146 N THR A 73 0.841 5.106 -10.009 1.00 0.00 N ATOM 1147 CA THR A 73 2.283 5.128 -10.231 1.00 0.00 C ATOM 1148 C THR A 73 3.061 4.201 -9.273 1.00 0.00 C ATOM 1149 O THR A 73 4.156 3.763 -9.618 1.00 0.00 O ATOM 1150 CB THR A 73 2.749 6.594 -10.203 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.437 7.199 -11.440 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.233 6.787 -9.905 1.00 0.00 C ATOM 0 H THR A 73 0.444 6.024 -9.812 1.00 0.00 H new ATOM 0 HA THR A 73 2.508 4.710 -11.212 1.00 0.00 H new ATOM 0 HB THR A 73 2.218 7.065 -9.376 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.729 8.134 -11.430 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.469 7.851 -9.906 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.466 6.365 -8.928 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.826 6.283 -10.668 1.00 0.00 H new ATOM 1160 N TYR A 74 2.515 3.880 -8.096 1.00 0.00 N ATOM 1161 CA TYR A 74 3.120 2.974 -7.121 1.00 0.00 C ATOM 1162 C TYR A 74 2.519 1.569 -7.178 1.00 0.00 C ATOM 1163 O TYR A 74 2.901 0.703 -6.387 1.00 0.00 O ATOM 1164 CB TYR A 74 2.929 3.555 -5.717 1.00 0.00 C ATOM 1165 CG TYR A 74 3.747 4.799 -5.448 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.149 4.745 -5.554 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.125 5.986 -5.019 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.911 5.914 -5.400 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.906 7.123 -4.750 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.277 7.116 -5.043 1.00 0.00 C ATOM 1171 OH TYR A 74 5.991 8.273 -4.973 1.00 0.00 O ATOM 0 H TYR A 74 1.617 4.254 -7.789 1.00 0.00 H new ATOM 0 HA TYR A 74 4.179 2.883 -7.363 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.874 3.788 -5.572 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.191 2.794 -4.982 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.639 3.804 -5.754 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.053 6.023 -4.897 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.980 5.889 -5.555 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.450 8.002 -4.318 1.00 0.00 H new ATOM 0 HH TYR A 74 5.826 8.708 -4.110 1.00 0.00 H new ATOM 1181 N ILE A 75 1.557 1.340 -8.072 1.00 0.00 N ATOM 1182 CA ILE A 75 0.854 0.072 -8.153 1.00 0.00 C ATOM 1183 C ILE A 75 1.839 -0.993 -8.611 1.00 0.00 C ATOM 1184 O ILE A 75 2.452 -0.858 -9.669 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.396 0.213 -9.037 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.549 -0.663 -8.524 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.178 -0.054 -10.535 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.874 -0.175 -9.117 1.00 0.00 C ATOM 0 H ILE A 75 1.248 2.030 -8.756 1.00 0.00 H new ATOM 0 HA ILE A 75 0.476 -0.242 -7.180 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.654 1.269 -8.954 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.378 -1.704 -8.800 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.591 -0.624 -7.435 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.120 0.072 -11.068 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.557 0.649 -10.927 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.184 -1.073 -10.674 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.689 -0.799 -8.750 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.047 0.859 -8.819 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.831 -0.237 -10.204 1.00 0.00 H new ATOM 1200 N ILE A 76 2.019 -2.032 -7.800 1.00 0.00 N ATOM 1201 CA ILE A 76 2.870 -3.142 -8.187 1.00 0.00 C ATOM 1202 C ILE A 76 1.986 -4.237 -8.759 1.00 0.00 C ATOM 1203 O ILE A 76 2.220 -4.683 -9.876 1.00 0.00 O ATOM 1204 CB ILE A 76 3.788 -3.590 -7.034 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.025 -4.069 -5.786 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.733 -2.427 -6.705 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.917 -4.413 -4.596 1.00 0.00 C ATOM 0 H ILE A 76 1.589 -2.124 -6.880 1.00 0.00 H new ATOM 0 HA ILE A 76 3.569 -2.841 -8.967 1.00 0.00 H new ATOM 0 HB ILE A 76 4.351 -4.464 -7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.321 -3.293 -5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.437 -4.948 -6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.396 -2.717 -5.890 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.326 -2.180 -7.585 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.149 -1.557 -6.406 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.299 -4.741 -3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.604 -5.212 -4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.487 -3.532 -4.301 1.00 0.00 H new ATOM 1219 N GLY A 77 0.966 -4.642 -8.003 1.00 0.00 N ATOM 1220 CA GLY A 77 0.204 -5.861 -8.206 1.00 0.00 C ATOM 1221 C GLY A 77 -1.199 -5.652 -7.643 1.00 0.00 C ATOM 1222 O GLY A 77 -1.601 -4.518 -7.370 1.00 0.00 O ATOM 0 H GLY A 77 0.639 -4.103 -7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.154 -6.105 -9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.691 -6.700 -7.709 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.933 -6.738 -7.396 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.250 -6.672 -6.786 1.00 0.00 C ATOM 1228 C GLU A 78 -3.530 -7.955 -6.002 1.00 0.00 C ATOM 1229 O GLU A 78 -2.710 -8.872 -6.003 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.302 -6.304 -7.843 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.439 -7.336 -8.965 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.245 -6.778 -10.136 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -4.884 -5.676 -10.606 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -6.219 -7.452 -10.540 1.00 0.00 O ATOM 0 H GLU A 78 -1.626 -7.686 -7.615 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.298 -5.872 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.268 -6.183 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.043 -5.339 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.449 -7.634 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.925 -8.232 -8.580 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.647 -7.980 -5.273 1.00 0.00 N ATOM 1242 CA LEU A 79 -5.023 -9.115 -4.439 1.00 0.00 C ATOM 1243 C LEU A 79 -5.114 -10.371 -5.309 1.00 0.00 C ATOM 1244 O LEU A 79 -5.860 -10.372 -6.285 1.00 0.00 O ATOM 1245 CB LEU A 79 -6.381 -8.839 -3.773 1.00 0.00 C ATOM 1246 CG LEU A 79 -6.331 -7.955 -2.515 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.726 -8.711 -1.328 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -5.582 -6.636 -2.723 1.00 0.00 C ATOM 0 H LEU A 79 -5.316 -7.210 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.272 -9.266 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.035 -8.364 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.837 -9.793 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.369 -7.703 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.704 -8.059 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.332 -9.591 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.711 -9.022 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.587 -6.065 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.553 -6.844 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.072 -6.059 -3.507 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.354 -11.418 -4.962 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.305 -12.664 -5.721 1.00 0.00 C ATOM 1262 C HIS A 80 -5.711 -13.162 -6.079 1.00 0.00 C ATOM 1263 O HIS A 80 -6.602 -13.101 -5.231 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.531 -13.724 -4.927 1.00 0.00 C ATOM 1265 CG HIS A 80 -2.816 -14.739 -5.781 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.160 -16.059 -5.946 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -1.667 -14.522 -6.493 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -2.262 -16.612 -6.778 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -1.332 -15.714 -7.139 1.00 0.00 N ATOM 0 H HIS A 80 -3.752 -11.419 -4.138 1.00 0.00 H new ATOM 0 HA HIS A 80 -3.785 -12.475 -6.660 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.801 -13.223 -4.291 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.225 -14.245 -4.267 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.117 -13.594 -6.546 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.285 -17.639 -7.111 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.539 -15.871 -7.761 1.00 0.00 H new ATOM 1277 N PRO A 81 -5.939 -13.675 -7.302 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.268 -14.088 -7.710 1.00 0.00 C ATOM 1279 C PRO A 81 -7.727 -15.318 -6.917 1.00 0.00 C ATOM 1280 O PRO A 81 -8.923 -15.577 -6.815 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.196 -14.318 -9.221 1.00 0.00 C ATOM 1282 CG PRO A 81 -5.722 -14.603 -9.507 1.00 0.00 C ATOM 1283 CD PRO A 81 -4.959 -13.994 -8.332 1.00 0.00 C ATOM 0 HA PRO A 81 -8.022 -13.330 -7.495 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.826 -15.155 -9.523 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.543 -13.443 -9.771 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.536 -15.674 -9.584 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.411 -14.157 -10.452 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.215 -14.694 -7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.423 -13.098 -8.644 1.00 0.00 H new