USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 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= -0.859 K(o=-2.6,f=-6.6!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.78 K(o=-2.6,f=-7.7!) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 95:sc= 1.19 USER MOD Set 3.1: A 13 GLN : amide:sc= 0 X(o=0,f=0.28) USER MOD Set 3.2: A 16 LYS NZ :NH3+ -159:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0287 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0539 USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 1.24 (180deg=0.972) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 110:sc= -0.0235 USER MOD Single : A 26 HIS : no HE2:sc= -0.0314 K(o=-0.031,f=-2.3!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 28 LYS NZ :NH3+ 138:sc= 1.02 (180deg=-0.109) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 132:sc= 0.314 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 57:sc= 0.825 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 -107:sc= 1.29 USER MOD Single : A 80 HIS : no HD1:sc= -0.667 X(o=-0.67,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.226 -7.901 -11.553 1.00 0.00 N ATOM 66 CA LYS A 5 1.180 -8.426 -10.588 1.00 0.00 C ATOM 67 C LYS A 5 0.479 -8.963 -9.345 1.00 0.00 C ATOM 68 O LYS A 5 0.987 -8.818 -8.240 1.00 0.00 O ATOM 69 CB LYS A 5 2.282 -7.403 -10.287 1.00 0.00 C ATOM 70 CG LYS A 5 3.642 -8.051 -10.019 1.00 0.00 C ATOM 71 CD LYS A 5 4.549 -8.043 -11.256 1.00 0.00 C ATOM 72 CE LYS A 5 5.053 -6.616 -11.544 1.00 0.00 C ATOM 73 NZ LYS A 5 6.328 -6.612 -12.288 1.00 0.00 N ATOM 0 HA LYS A 5 1.684 -9.285 -11.031 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.372 -6.716 -11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.992 -6.809 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.138 -7.523 -9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.493 -9.079 -9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.397 -8.710 -11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.002 -8.423 -12.119 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.299 -6.075 -12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.182 -6.082 -10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.627 -5.631 -12.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.056 -7.104 -11.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.200 -7.098 -13.198 1.00 0.00 H new ATOM 87 N TYR A 6 -0.684 -9.589 -9.540 1.00 0.00 N ATOM 88 CA TYR A 6 -1.469 -10.233 -8.497 1.00 0.00 C ATOM 89 C TYR A 6 -0.578 -10.923 -7.455 1.00 0.00 C ATOM 90 O TYR A 6 0.119 -11.880 -7.788 1.00 0.00 O ATOM 91 CB TYR A 6 -2.434 -11.224 -9.155 1.00 0.00 C ATOM 92 CG TYR A 6 -3.595 -10.565 -9.873 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.746 -10.205 -9.151 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.530 -10.307 -11.254 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.853 -9.648 -9.814 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.622 -9.716 -11.912 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.785 -9.392 -11.193 1.00 0.00 C ATOM 98 OH TYR A 6 -6.866 -8.883 -11.850 1.00 0.00 O ATOM 0 H TYR A 6 -1.115 -9.661 -10.461 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.036 -9.476 -7.956 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.881 -11.837 -9.866 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.826 -11.896 -8.392 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.780 -10.357 -8.082 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.640 -10.563 -11.809 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.754 -9.417 -9.264 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.567 -9.511 -12.971 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.647 -8.766 -12.798 1.00 0.00 H new ATOM 108 N TYR A 7 -0.590 -10.429 -6.212 1.00 0.00 N ATOM 109 CA TYR A 7 0.217 -10.939 -5.114 1.00 0.00 C ATOM 110 C TYR A 7 -0.689 -11.556 -4.053 1.00 0.00 C ATOM 111 O TYR A 7 -1.806 -11.087 -3.821 1.00 0.00 O ATOM 112 CB TYR A 7 1.074 -9.814 -4.522 1.00 0.00 C ATOM 113 CG TYR A 7 2.270 -9.411 -5.361 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.278 -10.357 -5.621 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.435 -8.080 -5.788 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.434 -9.986 -6.323 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.586 -7.713 -6.506 1.00 0.00 C ATOM 118 CZ TYR A 7 4.586 -8.663 -6.766 1.00 0.00 C ATOM 119 OH TYR A 7 5.722 -8.292 -7.424 1.00 0.00 O ATOM 0 H TYR A 7 -1.180 -9.642 -5.942 1.00 0.00 H new ATOM 0 HA TYR A 7 0.888 -11.713 -5.486 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.443 -8.938 -4.371 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.427 -10.126 -3.539 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.161 -11.374 -5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.679 -7.342 -5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.205 -10.716 -6.522 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.701 -6.699 -6.858 1.00 0.00 H new ATOM 0 HH TYR A 7 5.667 -7.343 -7.663 1.00 0.00 H new ATOM 129 N THR A 8 -0.222 -12.643 -3.434 1.00 0.00 N ATOM 130 CA THR A 8 -0.993 -13.367 -2.438 1.00 0.00 C ATOM 131 C THR A 8 -0.931 -12.646 -1.094 1.00 0.00 C ATOM 132 O THR A 8 -0.028 -11.849 -0.838 1.00 0.00 O ATOM 133 CB THR A 8 -0.495 -14.814 -2.303 1.00 0.00 C ATOM 134 OG1 THR A 8 0.752 -14.844 -1.639 1.00 0.00 O ATOM 135 CG2 THR A 8 -0.368 -15.515 -3.660 1.00 0.00 C ATOM 0 H THR A 8 0.700 -13.040 -3.613 1.00 0.00 H new ATOM 0 HA THR A 8 -2.032 -13.400 -2.766 1.00 0.00 H new ATOM 0 HB THR A 8 -1.240 -15.353 -1.718 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.057 -15.772 -1.558 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.013 -16.535 -3.511 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.341 -15.538 -4.150 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.340 -14.972 -4.285 1.00 0.00 H new ATOM 143 N LEU A 9 -1.883 -12.965 -0.217 1.00 0.00 N ATOM 144 CA LEU A 9 -2.006 -12.353 1.089 1.00 0.00 C ATOM 145 C LEU A 9 -0.702 -12.581 1.853 1.00 0.00 C ATOM 146 O LEU A 9 -0.015 -11.629 2.204 1.00 0.00 O ATOM 147 CB LEU A 9 -3.230 -12.944 1.807 1.00 0.00 C ATOM 148 CG LEU A 9 -4.598 -12.466 1.275 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.912 -11.037 1.721 1.00 0.00 C ATOM 150 CD2 LEU A 9 -4.770 -12.549 -0.249 1.00 0.00 C ATOM 0 H LEU A 9 -2.598 -13.668 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.166 -11.277 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.187 -14.030 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.164 -12.697 2.867 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.302 -13.172 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.883 -10.738 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.934 -10.992 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.144 -10.361 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.762 -12.191 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.015 -11.931 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.655 -13.584 -0.572 1.00 0.00 H new ATOM 162 N GLU A 10 -0.322 -13.847 2.045 1.00 0.00 N ATOM 163 CA GLU A 10 0.925 -14.243 2.682 1.00 0.00 C ATOM 164 C GLU A 10 2.171 -13.595 2.079 1.00 0.00 C ATOM 165 O GLU A 10 3.162 -13.429 2.793 1.00 0.00 O ATOM 166 CB GLU A 10 1.071 -15.760 2.584 1.00 0.00 C ATOM 167 CG GLU A 10 0.352 -16.470 3.730 1.00 0.00 C ATOM 168 CD GLU A 10 0.502 -17.973 3.571 1.00 0.00 C ATOM 169 OE1 GLU A 10 1.668 -18.390 3.395 1.00 0.00 O ATOM 170 OE2 GLU A 10 -0.540 -18.659 3.613 1.00 0.00 O ATOM 0 H GLU A 10 -0.892 -14.641 1.752 1.00 0.00 H new ATOM 0 HA GLU A 10 0.863 -13.900 3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.667 -16.104 1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.128 -16.026 2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.767 -16.152 4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.704 -16.198 3.735 1.00 0.00 H new ATOM 177 N GLU A 11 2.196 -13.327 0.773 1.00 0.00 N ATOM 178 CA GLU A 11 3.322 -12.625 0.173 1.00 0.00 C ATOM 179 C GLU A 11 3.314 -11.181 0.674 1.00 0.00 C ATOM 180 O GLU A 11 4.274 -10.701 1.273 1.00 0.00 O ATOM 181 CB GLU A 11 3.227 -12.712 -1.357 1.00 0.00 C ATOM 182 CG GLU A 11 4.466 -12.157 -2.073 1.00 0.00 C ATOM 183 CD GLU A 11 5.572 -13.200 -2.203 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.819 -13.904 -1.200 1.00 0.00 O ATOM 185 OE2 GLU A 11 6.123 -13.293 -3.320 1.00 0.00 O ATOM 0 H GLU A 11 1.456 -13.584 0.119 1.00 0.00 H new ATOM 0 HA GLU A 11 4.268 -13.082 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.084 -13.753 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.346 -12.164 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.183 -11.805 -3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.845 -11.295 -1.524 1.00 0.00 H new ATOM 192 N ILE A 12 2.199 -10.484 0.477 1.00 0.00 N ATOM 193 CA ILE A 12 2.090 -9.078 0.838 1.00 0.00 C ATOM 194 C ILE A 12 2.350 -8.893 2.340 1.00 0.00 C ATOM 195 O ILE A 12 3.012 -7.943 2.755 1.00 0.00 O ATOM 196 CB ILE A 12 0.721 -8.542 0.393 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.542 -8.702 -1.129 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.594 -7.062 0.771 1.00 0.00 C ATOM 199 CD1 ILE A 12 -0.936 -8.711 -1.528 1.00 0.00 C ATOM 0 H ILE A 12 1.352 -10.876 0.065 1.00 0.00 H new ATOM 0 HA ILE A 12 2.851 -8.494 0.320 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.055 -9.117 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.053 -7.888 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.013 -9.630 -1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.379 -6.687 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.689 -6.953 1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.381 -6.492 0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.020 -8.826 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.441 -9.541 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.400 -7.772 -1.225 1.00 0.00 H new ATOM 211 N GLN A 13 1.881 -9.843 3.152 1.00 0.00 N ATOM 212 CA GLN A 13 2.041 -9.849 4.600 1.00 0.00 C ATOM 213 C GLN A 13 3.475 -10.201 5.027 1.00 0.00 C ATOM 214 O GLN A 13 3.777 -10.149 6.223 1.00 0.00 O ATOM 215 CB GLN A 13 1.013 -10.812 5.226 1.00 0.00 C ATOM 216 CG GLN A 13 0.341 -10.262 6.495 1.00 0.00 C ATOM 217 CD GLN A 13 0.557 -11.154 7.711 1.00 0.00 C ATOM 218 OE1 GLN A 13 0.301 -12.352 7.674 1.00 0.00 O ATOM 219 NE2 GLN A 13 1.024 -10.583 8.820 1.00 0.00 N ATOM 0 H GLN A 13 1.365 -10.652 2.806 1.00 0.00 H new ATOM 0 HA GLN A 13 1.855 -8.840 4.968 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.244 -11.038 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.509 -11.752 5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.733 -9.267 6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.729 -10.152 6.316 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.231 -9.584 8.831 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.174 -11.144 9.658 1.00 0.00 H new ATOM 228 N LYS A 14 4.353 -10.564 4.081 1.00 0.00 N ATOM 229 CA LYS A 14 5.786 -10.703 4.309 1.00 0.00 C ATOM 230 C LYS A 14 6.455 -9.330 4.157 1.00 0.00 C ATOM 231 O LYS A 14 7.286 -8.957 4.985 1.00 0.00 O ATOM 232 CB LYS A 14 6.407 -11.746 3.351 1.00 0.00 C ATOM 233 CG LYS A 14 7.070 -12.918 4.093 1.00 0.00 C ATOM 234 CD LYS A 14 6.043 -14.005 4.462 1.00 0.00 C ATOM 235 CE LYS A 14 6.077 -15.197 3.481 1.00 0.00 C ATOM 236 NZ LYS A 14 4.727 -15.620 3.064 1.00 0.00 N ATOM 0 H LYS A 14 4.076 -10.771 3.122 1.00 0.00 H new ATOM 0 HA LYS A 14 5.955 -11.068 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.631 -12.133 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.148 -11.256 2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.851 -13.351 3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.553 -12.550 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.242 -14.362 5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.043 -13.571 4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.657 -14.923 2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.589 -16.037 3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.803 -16.316 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.233 -16.049 3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.192 -14.793 2.730 1.00 0.00 H new ATOM 250 N HIS A 15 6.092 -8.566 3.117 1.00 0.00 N ATOM 251 CA HIS A 15 6.673 -7.256 2.809 1.00 0.00 C ATOM 252 C HIS A 15 6.143 -6.164 3.755 1.00 0.00 C ATOM 253 O HIS A 15 5.488 -5.203 3.343 1.00 0.00 O ATOM 254 CB HIS A 15 6.429 -6.907 1.335 1.00 0.00 C ATOM 255 CG HIS A 15 7.250 -7.721 0.367 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.321 -7.261 -0.367 1.00 0.00 N ATOM 257 CD2 HIS A 15 7.079 -9.044 0.061 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.784 -8.292 -1.096 1.00 0.00 C ATOM 259 NE2 HIS A 15 8.064 -9.400 -0.864 1.00 0.00 N ATOM 0 H HIS A 15 5.371 -8.850 2.454 1.00 0.00 H new ATOM 0 HA HIS A 15 7.750 -7.308 2.972 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.372 -7.050 1.109 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.648 -5.850 1.182 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.318 -9.697 0.463 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.621 -8.236 -1.776 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.207 -10.320 -1.280 1.00 0.00 H new ATOM 267 N LYS A 16 6.455 -6.328 5.041 1.00 0.00 N ATOM 268 CA LYS A 16 6.099 -5.415 6.117 1.00 0.00 C ATOM 269 C LYS A 16 7.348 -4.903 6.835 1.00 0.00 C ATOM 270 O LYS A 16 7.411 -3.725 7.191 1.00 0.00 O ATOM 271 CB LYS A 16 5.108 -6.102 7.074 1.00 0.00 C ATOM 272 CG LYS A 16 5.673 -7.353 7.763 1.00 0.00 C ATOM 273 CD LYS A 16 4.569 -8.104 8.510 1.00 0.00 C ATOM 274 CE LYS A 16 5.113 -9.455 9.000 1.00 0.00 C ATOM 275 NZ LYS A 16 4.036 -10.329 9.505 1.00 0.00 N ATOM 0 H LYS A 16 6.984 -7.135 5.370 1.00 0.00 H new ATOM 0 HA LYS A 16 5.603 -4.539 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.800 -5.387 7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.213 -6.379 6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.128 -8.009 7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.460 -7.066 8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.219 -7.512 9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.712 -8.260 7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.634 -9.955 8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.845 -9.287 9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.441 -11.051 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.344 -9.758 10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.563 -10.795 8.705 1.00 0.00 H new ATOM 334 N SER A 20 11.057 -2.242 3.689 1.00 0.00 N ATOM 335 CA SER A 20 10.288 -2.723 2.546 1.00 0.00 C ATOM 336 C SER A 20 8.799 -2.794 2.892 1.00 0.00 C ATOM 337 O SER A 20 8.208 -3.869 2.972 1.00 0.00 O ATOM 338 CB SER A 20 10.863 -4.049 2.015 1.00 0.00 C ATOM 339 OG SER A 20 10.863 -4.055 0.598 1.00 0.00 O ATOM 0 HA SER A 20 10.377 -2.010 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.879 -4.187 2.386 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.271 -4.885 2.389 1.00 0.00 H new ATOM 0 HG SER A 20 11.233 -4.903 0.274 1.00 0.00 H new ATOM 345 N THR A 21 8.201 -1.626 3.107 1.00 0.00 N ATOM 346 CA THR A 21 6.821 -1.469 3.503 1.00 0.00 C ATOM 347 C THR A 21 5.907 -1.451 2.275 1.00 0.00 C ATOM 348 O THR A 21 5.858 -0.468 1.533 1.00 0.00 O ATOM 349 CB THR A 21 6.741 -0.191 4.340 1.00 0.00 C ATOM 350 OG1 THR A 21 7.360 -0.446 5.588 1.00 0.00 O ATOM 351 CG2 THR A 21 5.312 0.313 4.540 1.00 0.00 C ATOM 0 H THR A 21 8.689 -0.736 3.004 1.00 0.00 H new ATOM 0 HA THR A 21 6.473 -2.309 4.105 1.00 0.00 H new ATOM 0 HB THR A 21 7.257 0.604 3.801 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.203 0.050 5.642 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.328 1.222 5.142 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.863 0.528 3.570 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.725 -0.450 5.051 1.00 0.00 H new ATOM 359 N TRP A 22 5.159 -2.538 2.088 1.00 0.00 N ATOM 360 CA TRP A 22 4.025 -2.584 1.176 1.00 0.00 C ATOM 361 C TRP A 22 2.742 -2.260 1.939 1.00 0.00 C ATOM 362 O TRP A 22 2.736 -2.273 3.169 1.00 0.00 O ATOM 363 CB TRP A 22 3.964 -3.968 0.548 1.00 0.00 C ATOM 364 CG TRP A 22 5.015 -4.250 -0.480 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.137 -3.538 -0.739 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.984 -5.309 -1.468 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.782 -4.081 -1.830 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.125 -5.192 -2.308 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.059 -6.323 -1.761 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.351 -6.062 -3.381 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.285 -7.226 -2.816 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.438 -7.104 -3.616 1.00 0.00 C ATOM 0 H TRP A 22 5.328 -3.419 2.573 1.00 0.00 H new ATOM 0 HA TRP A 22 4.137 -1.844 0.384 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.045 -4.712 1.340 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.985 -4.097 0.088 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.474 -2.679 -0.178 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.640 -3.706 -2.233 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.161 -6.411 -1.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.214 -5.934 -4.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.573 -8.014 -3.013 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.620 -7.812 -4.411 1.00 0.00 H new ATOM 383 N VAL A 23 1.653 -1.997 1.216 1.00 0.00 N ATOM 384 CA VAL A 23 0.301 -1.873 1.749 1.00 0.00 C ATOM 385 C VAL A 23 -0.661 -2.284 0.641 1.00 0.00 C ATOM 386 O VAL A 23 -0.298 -2.227 -0.539 1.00 0.00 O ATOM 387 CB VAL A 23 -0.021 -0.430 2.179 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.473 -0.084 3.586 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.540 0.591 1.192 1.00 0.00 C ATOM 0 H VAL A 23 1.693 -1.860 0.206 1.00 0.00 H new ATOM 0 HA VAL A 23 0.207 -2.505 2.632 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.110 -0.379 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.211 0.948 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.005 -0.751 4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.556 -0.202 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.292 1.597 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.623 0.484 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.105 0.422 0.207 1.00 0.00 H new ATOM 399 N ILE A 24 -1.887 -2.667 1.018 1.00 0.00 N ATOM 400 CA ILE A 24 -2.964 -2.905 0.080 1.00 0.00 C ATOM 401 C ILE A 24 -4.094 -1.917 0.349 1.00 0.00 C ATOM 402 O ILE A 24 -4.586 -1.842 1.473 1.00 0.00 O ATOM 403 CB ILE A 24 -3.400 -4.372 0.104 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.030 -4.858 1.407 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.186 -5.256 -0.131 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.518 -5.179 1.281 1.00 0.00 C ATOM 0 H ILE A 24 -2.150 -2.818 1.992 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.622 -2.728 -0.940 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.162 -4.439 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.502 -5.749 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.895 -4.095 2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.490 -6.303 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.746 -5.020 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.450 -5.080 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.900 -5.518 2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.058 -4.284 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.659 -5.964 0.538 1.00 0.00 H new ATOM 418 N LEU A 25 -4.469 -1.124 -0.661 1.00 0.00 N ATOM 419 CA LEU A 25 -5.511 -0.116 -0.538 1.00 0.00 C ATOM 420 C LEU A 25 -6.564 -0.402 -1.616 1.00 0.00 C ATOM 421 O LEU A 25 -6.230 -0.409 -2.797 1.00 0.00 O ATOM 422 CB LEU A 25 -4.941 1.313 -0.643 1.00 0.00 C ATOM 423 CG LEU A 25 -3.568 1.535 0.023 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.063 2.936 -0.307 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.595 1.435 1.548 1.00 0.00 C ATOM 0 H LEU A 25 -4.051 -1.169 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.971 -0.171 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.859 1.575 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.657 2.004 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.925 0.745 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.093 3.093 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.964 3.042 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.771 3.675 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.592 1.603 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.273 2.188 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.939 0.443 1.842 1.00 0.00 H new ATOM 437 N HIS A 26 -7.820 -0.680 -1.245 1.00 0.00 N ATOM 438 CA HIS A 26 -8.890 -0.986 -2.200 1.00 0.00 C ATOM 439 C HIS A 26 -8.498 -2.129 -3.141 1.00 0.00 C ATOM 440 O HIS A 26 -8.562 -1.993 -4.366 1.00 0.00 O ATOM 441 CB HIS A 26 -9.312 0.263 -2.989 1.00 0.00 C ATOM 442 CG HIS A 26 -10.031 1.284 -2.153 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.396 1.466 -2.105 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.454 2.199 -1.317 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.634 2.476 -1.251 1.00 0.00 C ATOM 446 NE2 HIS A 26 -10.482 2.950 -0.752 1.00 0.00 N ATOM 0 H HIS A 26 -8.123 -0.699 -0.271 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.752 -1.320 -1.622 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.426 0.723 -3.428 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.957 -0.039 -3.814 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -12.096 0.933 -2.622 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.397 2.318 -1.129 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.615 2.853 -1.001 1.00 0.00 H new ATOM 454 N HIS A 27 -8.108 -3.265 -2.557 1.00 0.00 N ATOM 455 CA HIS A 27 -7.695 -4.467 -3.274 1.00 0.00 C ATOM 456 C HIS A 27 -6.724 -4.143 -4.411 1.00 0.00 C ATOM 457 O HIS A 27 -6.902 -4.608 -5.537 1.00 0.00 O ATOM 458 CB HIS A 27 -8.915 -5.247 -3.784 1.00 0.00 C ATOM 459 CG HIS A 27 -9.828 -5.730 -2.692 1.00 0.00 C ATOM 460 ND1 HIS A 27 -9.436 -6.235 -1.473 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.191 -5.830 -2.766 1.00 0.00 C ATOM 462 CE1 HIS A 27 -10.546 -6.619 -0.824 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.640 -6.396 -1.572 1.00 0.00 N ATOM 0 H HIS A 27 -8.071 -3.374 -1.543 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.160 -5.104 -2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.482 -4.611 -4.464 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.570 -6.104 -4.362 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.808 -5.526 -3.599 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.558 -7.049 0.166 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.606 -6.600 -1.318 1.00 0.00 H new ATOM 471 N LYS A 28 -5.713 -3.328 -4.113 1.00 0.00 N ATOM 472 CA LYS A 28 -4.633 -2.961 -5.010 1.00 0.00 C ATOM 473 C LYS A 28 -3.398 -2.800 -4.140 1.00 0.00 C ATOM 474 O LYS A 28 -3.483 -2.181 -3.081 1.00 0.00 O ATOM 475 CB LYS A 28 -4.983 -1.666 -5.747 1.00 0.00 C ATOM 476 CG LYS A 28 -5.622 -1.983 -7.105 1.00 0.00 C ATOM 477 CD LYS A 28 -6.538 -0.843 -7.578 1.00 0.00 C ATOM 478 CE LYS A 28 -7.905 -1.365 -8.038 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.591 -2.153 -6.987 1.00 0.00 N ATOM 0 H LYS A 28 -5.626 -2.889 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.460 -3.716 -5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.669 -1.071 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.084 -1.067 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.840 -2.153 -7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.197 -2.906 -7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.676 -0.127 -6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.059 -0.308 -8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.534 -0.523 -8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.775 -1.984 -8.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.599 -1.899 -6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.494 -3.167 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.162 -1.946 -6.062 1.00 0.00 H new ATOM 493 N VAL A 29 -2.290 -3.412 -4.555 1.00 0.00 N ATOM 494 CA VAL A 29 -1.053 -3.452 -3.802 1.00 0.00 C ATOM 495 C VAL A 29 -0.167 -2.320 -4.302 1.00 0.00 C ATOM 496 O VAL A 29 0.026 -2.169 -5.514 1.00 0.00 O ATOM 497 CB VAL A 29 -0.362 -4.820 -3.944 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.737 -4.943 -2.882 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.349 -5.980 -3.787 1.00 0.00 C ATOM 0 H VAL A 29 -2.234 -3.904 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.253 -3.319 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 29 0.063 -4.878 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.230 -5.911 -2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.469 -4.148 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.295 -4.858 -1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.819 -6.926 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.812 -5.933 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.121 -5.908 -4.554 1.00 0.00 H new ATOM 509 N TYR A 30 0.351 -1.525 -3.366 1.00 0.00 N ATOM 510 CA TYR A 30 1.203 -0.391 -3.666 1.00 0.00 C ATOM 511 C TYR A 30 2.540 -0.607 -2.969 1.00 0.00 C ATOM 512 O TYR A 30 2.555 -0.853 -1.759 1.00 0.00 O ATOM 513 CB TYR A 30 0.514 0.896 -3.207 1.00 0.00 C ATOM 514 CG TYR A 30 -0.825 1.137 -3.875 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.875 1.730 -5.145 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.012 0.685 -3.275 1.00 0.00 C ATOM 517 CE1 TYR A 30 -2.106 1.895 -5.804 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.243 0.887 -3.920 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.294 1.508 -5.175 1.00 0.00 C ATOM 520 OH TYR A 30 -4.495 1.736 -5.782 1.00 0.00 O ATOM 0 H TYR A 30 0.185 -1.658 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 30 1.381 -0.299 -4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.370 0.856 -2.127 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.170 1.742 -3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.037 2.062 -5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.978 0.183 -2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.134 2.321 -6.796 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.157 0.561 -3.445 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.219 1.405 -5.210 1.00 0.00 H new ATOM 530 N ASP A 31 3.647 -0.531 -3.718 1.00 0.00 N ATOM 531 CA ASP A 31 4.969 -0.542 -3.102 1.00 0.00 C ATOM 532 C ASP A 31 5.300 0.896 -2.744 1.00 0.00 C ATOM 533 O ASP A 31 5.384 1.748 -3.630 1.00 0.00 O ATOM 534 CB ASP A 31 6.063 -1.127 -4.007 1.00 0.00 C ATOM 535 CG ASP A 31 7.339 -1.368 -3.208 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.602 -0.582 -2.272 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.012 -2.388 -3.468 1.00 0.00 O ATOM 0 H ASP A 31 3.650 -0.462 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 31 4.942 -1.190 -2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.719 -2.063 -4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.266 -0.444 -4.832 1.00 0.00 H new ATOM 542 N LEU A 32 5.458 1.173 -1.451 1.00 0.00 N ATOM 543 CA LEU A 32 5.802 2.496 -0.970 1.00 0.00 C ATOM 544 C LEU A 32 7.163 2.464 -0.271 1.00 0.00 C ATOM 545 O LEU A 32 7.509 3.418 0.425 1.00 0.00 O ATOM 546 CB LEU A 32 4.669 2.999 -0.069 1.00 0.00 C ATOM 547 CG LEU A 32 3.285 2.901 -0.744 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.225 3.204 0.301 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.048 3.831 -1.947 1.00 0.00 C ATOM 0 H LEU A 32 5.349 0.480 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 32 5.903 3.199 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.660 2.420 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.862 4.036 0.206 1.00 0.00 H new ATOM 0 HG LEU A 32 3.232 1.889 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.237 3.141 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.298 2.481 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.379 4.209 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.043 3.672 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.155 4.869 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.778 3.611 -2.726 1.00 0.00 H new ATOM 561 N THR A 33 7.970 1.422 -0.506 1.00 0.00 N ATOM 562 CA THR A 33 9.306 1.258 0.053 1.00 0.00 C ATOM 563 C THR A 33 10.148 2.515 -0.174 1.00 0.00 C ATOM 564 O THR A 33 10.809 2.998 0.742 1.00 0.00 O ATOM 565 CB THR A 33 9.965 0.014 -0.570 1.00 0.00 C ATOM 566 OG1 THR A 33 9.192 -1.134 -0.280 1.00 0.00 O ATOM 567 CG2 THR A 33 11.399 -0.201 -0.080 1.00 0.00 C ATOM 0 H THR A 33 7.696 0.648 -1.111 1.00 0.00 H new ATOM 0 HA THR A 33 9.235 1.113 1.131 1.00 0.00 H new ATOM 0 HB THR A 33 10.009 0.181 -1.646 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.585 -1.317 -1.028 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.815 -1.092 -0.551 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.007 0.665 -0.342 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.398 -0.330 1.002 1.00 0.00 H new ATOM 575 N LYS A 34 10.121 3.053 -1.398 1.00 0.00 N ATOM 576 CA LYS A 34 10.831 4.275 -1.755 1.00 0.00 C ATOM 577 C LYS A 34 9.912 5.497 -1.763 1.00 0.00 C ATOM 578 O LYS A 34 10.250 6.511 -2.366 1.00 0.00 O ATOM 579 CB LYS A 34 11.507 4.078 -3.116 1.00 0.00 C ATOM 580 CG LYS A 34 12.678 3.093 -3.004 1.00 0.00 C ATOM 581 CD LYS A 34 13.845 3.603 -3.857 1.00 0.00 C ATOM 582 CE LYS A 34 15.094 2.739 -3.649 1.00 0.00 C ATOM 583 NZ LYS A 34 16.223 3.210 -4.476 1.00 0.00 N ATOM 0 H LYS A 34 9.599 2.644 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 34 11.588 4.471 -0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.780 3.706 -3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.866 5.036 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.988 2.994 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.370 2.103 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.563 3.593 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.066 4.638 -3.596 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.380 2.758 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.866 1.703 -3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.051 2.603 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.958 3.168 -5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.456 4.191 -4.220 1.00 0.00 H new ATOM 597 N PHE A 35 8.764 5.414 -1.088 1.00 0.00 N ATOM 598 CA PHE A 35 7.840 6.527 -0.946 1.00 0.00 C ATOM 599 C PHE A 35 7.668 6.921 0.522 1.00 0.00 C ATOM 600 O PHE A 35 7.039 7.930 0.804 1.00 0.00 O ATOM 601 CB PHE A 35 6.509 6.161 -1.598 1.00 0.00 C ATOM 602 CG PHE A 35 5.448 7.240 -1.571 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.683 8.501 -2.147 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.220 6.987 -0.940 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.654 9.457 -2.194 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.172 7.908 -1.045 1.00 0.00 C ATOM 607 CZ PHE A 35 3.392 9.156 -1.654 1.00 0.00 C ATOM 0 H PHE A 35 8.452 4.562 -0.622 1.00 0.00 H new ATOM 0 HA PHE A 35 8.247 7.401 -1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.697 5.887 -2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.113 5.275 -1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.656 8.735 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.084 6.079 -0.372 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.833 10.422 -2.645 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.194 7.660 -0.658 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.593 9.881 -1.707 1.00 0.00 H new ATOM 617 N LEU A 36 8.232 6.155 1.462 1.00 0.00 N ATOM 618 CA LEU A 36 8.061 6.382 2.885 1.00 0.00 C ATOM 619 C LEU A 36 8.326 7.848 3.249 1.00 0.00 C ATOM 620 O LEU A 36 7.414 8.555 3.666 1.00 0.00 O ATOM 621 CB LEU A 36 8.963 5.410 3.658 1.00 0.00 C ATOM 622 CG LEU A 36 8.510 3.939 3.646 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.394 3.112 4.591 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.042 3.781 4.065 1.00 0.00 C ATOM 0 H LEU A 36 8.825 5.354 1.245 1.00 0.00 H new ATOM 0 HA LEU A 36 7.027 6.186 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.969 5.466 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.026 5.745 4.693 1.00 0.00 H new ATOM 0 HG LEU A 36 8.609 3.580 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.068 2.072 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.432 3.171 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.311 3.505 5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.768 2.726 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.908 4.168 5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.405 4.337 3.377 1.00 0.00 H new ATOM 636 N GLU A 37 9.559 8.329 3.072 1.00 0.00 N ATOM 637 CA GLU A 37 9.878 9.711 3.414 1.00 0.00 C ATOM 638 C GLU A 37 9.221 10.689 2.426 1.00 0.00 C ATOM 639 O GLU A 37 8.694 11.722 2.829 1.00 0.00 O ATOM 640 CB GLU A 37 11.400 9.901 3.493 1.00 0.00 C ATOM 641 CG GLU A 37 11.754 10.925 4.580 1.00 0.00 C ATOM 642 CD GLU A 37 13.228 11.306 4.529 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.612 11.925 3.514 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.942 10.966 5.495 1.00 0.00 O ATOM 0 H GLU A 37 10.340 7.789 2.699 1.00 0.00 H new ATOM 0 HA GLU A 37 9.467 9.935 4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.881 8.948 3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.782 10.237 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.142 11.818 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.517 10.513 5.561 1.00 0.00 H new ATOM 651 N GLU A 38 9.256 10.352 1.131 1.00 0.00 N ATOM 652 CA GLU A 38 8.713 11.180 0.052 1.00 0.00 C ATOM 653 C GLU A 38 7.236 11.532 0.275 1.00 0.00 C ATOM 654 O GLU A 38 6.799 12.620 -0.095 1.00 0.00 O ATOM 655 CB GLU A 38 8.891 10.456 -1.292 1.00 0.00 C ATOM 656 CG GLU A 38 10.185 10.826 -2.034 1.00 0.00 C ATOM 657 CD GLU A 38 9.883 11.673 -3.265 1.00 0.00 C ATOM 658 OE1 GLU A 38 9.424 11.069 -4.260 1.00 0.00 O ATOM 659 OE2 GLU A 38 10.093 12.902 -3.185 1.00 0.00 O ATOM 0 H GLU A 38 9.670 9.481 0.800 1.00 0.00 H new ATOM 0 HA GLU A 38 9.267 12.119 0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.879 9.380 -1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.039 10.685 -1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.849 11.373 -1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.710 9.919 -2.332 1.00 0.00 H new ATOM 666 N HIS A 39 6.456 10.605 0.834 1.00 0.00 N ATOM 667 CA HIS A 39 5.038 10.780 1.088 1.00 0.00 C ATOM 668 C HIS A 39 4.774 12.110 1.807 1.00 0.00 C ATOM 669 O HIS A 39 5.216 12.271 2.947 1.00 0.00 O ATOM 670 CB HIS A 39 4.524 9.590 1.903 1.00 0.00 C ATOM 671 CG HIS A 39 3.112 9.748 2.401 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.760 9.918 3.714 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.956 9.670 1.673 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.421 9.938 3.773 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.878 9.756 2.555 1.00 0.00 N ATOM 0 H HIS A 39 6.808 9.693 1.127 1.00 0.00 H new ATOM 0 HA HIS A 39 4.500 10.816 0.141 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.583 8.691 1.289 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.184 9.437 2.757 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.400 10.012 4.503 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.889 9.561 0.601 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.852 10.081 4.680 1.00 0.00 H new ATOM 683 N PRO A 40 4.050 13.058 1.181 1.00 0.00 N ATOM 684 CA PRO A 40 3.755 14.355 1.772 1.00 0.00 C ATOM 685 C PRO A 40 2.765 14.166 2.922 1.00 0.00 C ATOM 686 O PRO A 40 1.561 14.358 2.775 1.00 0.00 O ATOM 687 CB PRO A 40 3.207 15.227 0.639 1.00 0.00 C ATOM 688 CG PRO A 40 2.656 14.223 -0.366 1.00 0.00 C ATOM 689 CD PRO A 40 3.476 12.954 -0.151 1.00 0.00 C ATOM 0 HA PRO A 40 4.631 14.841 2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.429 15.902 0.996 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.989 15.845 0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.595 14.040 -0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.759 14.590 -1.387 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.848 12.067 -0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.258 12.864 -0.905 1.00 0.00 H new ATOM 697 N GLY A 41 3.302 13.753 4.066 1.00 0.00 N ATOM 698 CA GLY A 41 2.549 13.315 5.224 1.00 0.00 C ATOM 699 C GLY A 41 3.450 12.511 6.157 1.00 0.00 C ATOM 700 O GLY A 41 3.269 12.570 7.371 1.00 0.00 O ATOM 0 H GLY A 41 4.311 13.715 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.142 14.178 5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.702 12.706 4.908 1.00 0.00 H new ATOM 704 N GLY A 42 4.431 11.780 5.605 1.00 0.00 N ATOM 705 CA GLY A 42 5.433 11.087 6.397 1.00 0.00 C ATOM 706 C GLY A 42 5.588 9.619 6.088 1.00 0.00 C ATOM 707 O GLY A 42 4.768 9.040 5.380 1.00 0.00 O ATOM 0 H GLY A 42 4.543 11.659 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.395 11.578 6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.180 11.196 7.452 1.00 0.00 H new ATOM 711 N GLU A 43 6.591 9.021 6.734 1.00 0.00 N ATOM 712 CA GLU A 43 6.857 7.604 6.646 1.00 0.00 C ATOM 713 C GLU A 43 6.045 6.847 7.701 1.00 0.00 C ATOM 714 O GLU A 43 5.434 5.828 7.397 1.00 0.00 O ATOM 715 CB GLU A 43 8.364 7.353 6.872 1.00 0.00 C ATOM 716 CG GLU A 43 8.683 5.898 7.279 1.00 0.00 C ATOM 717 CD GLU A 43 10.156 5.515 7.140 1.00 0.00 C ATOM 718 OE1 GLU A 43 10.878 6.234 6.417 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.519 4.476 7.733 1.00 0.00 O ATOM 0 H GLU A 43 7.243 9.523 7.337 1.00 0.00 H new ATOM 0 HA GLU A 43 6.569 7.246 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.907 7.596 5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.726 8.028 7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.376 5.747 8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.085 5.222 6.668 1.00 0.00 H new ATOM 726 N GLU A 44 6.077 7.295 8.964 1.00 0.00 N ATOM 727 CA GLU A 44 5.567 6.506 10.088 1.00 0.00 C ATOM 728 C GLU A 44 4.097 6.149 9.879 1.00 0.00 C ATOM 729 O GLU A 44 3.711 4.989 9.999 1.00 0.00 O ATOM 730 CB GLU A 44 5.821 7.230 11.417 1.00 0.00 C ATOM 731 CG GLU A 44 5.794 6.246 12.596 1.00 0.00 C ATOM 732 CD GLU A 44 6.160 6.938 13.901 1.00 0.00 C ATOM 733 OE1 GLU A 44 7.350 7.293 14.033 1.00 0.00 O ATOM 734 OE2 GLU A 44 5.244 7.116 14.731 1.00 0.00 O ATOM 0 H GLU A 44 6.453 8.205 9.231 1.00 0.00 H new ATOM 0 HA GLU A 44 6.112 5.563 10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.787 7.734 11.382 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.065 8.001 11.565 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.801 5.805 12.682 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.491 5.429 12.407 1.00 0.00 H new ATOM 741 N VAL A 45 3.293 7.133 9.470 1.00 0.00 N ATOM 742 CA VAL A 45 1.915 6.908 9.075 1.00 0.00 C ATOM 743 C VAL A 45 1.802 5.769 8.049 1.00 0.00 C ATOM 744 O VAL A 45 0.855 4.997 8.096 1.00 0.00 O ATOM 745 CB VAL A 45 1.294 8.226 8.579 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.116 9.220 9.735 1.00 0.00 C ATOM 747 CG2 VAL A 45 2.097 8.909 7.464 1.00 0.00 C ATOM 0 H VAL A 45 3.587 8.108 9.406 1.00 0.00 H new ATOM 0 HA VAL A 45 1.343 6.581 9.943 1.00 0.00 H new ATOM 0 HB VAL A 45 0.327 7.944 8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.675 10.143 9.357 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.459 8.787 10.489 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.087 9.437 10.181 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.597 9.831 7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.099 9.140 7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.167 8.242 6.605 1.00 0.00 H new ATOM 757 N LEU A 46 2.771 5.616 7.143 1.00 0.00 N ATOM 758 CA LEU A 46 2.794 4.520 6.185 1.00 0.00 C ATOM 759 C LEU A 46 3.273 3.219 6.824 1.00 0.00 C ATOM 760 O LEU A 46 2.738 2.148 6.535 1.00 0.00 O ATOM 761 CB LEU A 46 3.607 4.900 4.935 1.00 0.00 C ATOM 762 CG LEU A 46 2.777 5.616 3.859 1.00 0.00 C ATOM 763 CD1 LEU A 46 1.713 4.685 3.278 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.069 6.862 4.377 1.00 0.00 C ATOM 0 H LEU A 46 3.562 6.254 7.057 1.00 0.00 H new ATOM 0 HA LEU A 46 1.771 4.337 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.435 5.543 5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.042 3.997 4.506 1.00 0.00 H new ATOM 0 HG LEU A 46 3.495 5.914 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.140 5.217 2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.195 3.818 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.044 4.356 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.501 7.320 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.392 6.586 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.808 7.572 4.749 1.00 0.00 H new ATOM 776 N ARG A 47 4.272 3.300 7.699 1.00 0.00 N ATOM 777 CA ARG A 47 4.846 2.140 8.367 1.00 0.00 C ATOM 778 C ARG A 47 3.953 1.588 9.486 1.00 0.00 C ATOM 779 O ARG A 47 4.200 0.481 9.961 1.00 0.00 O ATOM 780 CB ARG A 47 6.270 2.475 8.843 1.00 0.00 C ATOM 781 CG ARG A 47 7.311 1.485 8.304 1.00 0.00 C ATOM 782 CD ARG A 47 7.100 0.065 8.846 1.00 0.00 C ATOM 783 NE ARG A 47 8.324 -0.745 8.735 1.00 0.00 N ATOM 784 CZ ARG A 47 8.527 -1.896 9.398 1.00 0.00 C ATOM 785 NH1 ARG A 47 7.510 -2.482 10.038 1.00 0.00 N ATOM 786 NH2 ARG A 47 9.745 -2.443 9.440 1.00 0.00 N ATOM 0 H ARG A 47 4.709 4.182 7.965 1.00 0.00 H new ATOM 0 HA ARG A 47 4.909 1.326 7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.530 3.484 8.522 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.297 2.470 9.933 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.262 1.467 7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.310 1.829 8.573 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.790 0.116 9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.292 -0.418 8.297 1.00 0.00 H new ATOM 0 HE ARG A 47 9.064 -0.412 8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.584 -2.055 10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.660 -3.356 10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.525 -1.987 8.968 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.895 -3.317 9.944 1.00 0.00 H new ATOM 800 N GLU A 48 2.928 2.344 9.887 1.00 0.00 N ATOM 801 CA GLU A 48 2.016 2.056 10.986 1.00 0.00 C ATOM 802 C GLU A 48 1.535 0.604 10.988 1.00 0.00 C ATOM 803 O GLU A 48 1.728 -0.123 11.960 1.00 0.00 O ATOM 804 CB GLU A 48 0.839 3.050 10.932 1.00 0.00 C ATOM 805 CG GLU A 48 0.767 3.943 12.173 1.00 0.00 C ATOM 806 CD GLU A 48 0.217 3.170 13.366 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.996 2.872 13.322 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.016 2.876 14.279 1.00 0.00 O ATOM 0 H GLU A 48 2.703 3.224 9.423 1.00 0.00 H new ATOM 0 HA GLU A 48 2.555 2.183 11.925 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.936 3.675 10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.095 2.497 10.832 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.760 4.326 12.409 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.133 4.806 11.969 1.00 0.00 H new ATOM 815 N GLN A 49 0.904 0.189 9.889 1.00 0.00 N ATOM 816 CA GLN A 49 0.412 -1.168 9.726 1.00 0.00 C ATOM 817 C GLN A 49 1.364 -1.919 8.805 1.00 0.00 C ATOM 818 O GLN A 49 2.011 -2.880 9.219 1.00 0.00 O ATOM 819 CB GLN A 49 -1.019 -1.128 9.166 1.00 0.00 C ATOM 820 CG GLN A 49 -2.048 -0.776 10.253 1.00 0.00 C ATOM 821 CD GLN A 49 -2.264 -1.899 11.268 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.818 -3.028 11.079 1.00 0.00 O ATOM 823 NE2 GLN A 49 -2.966 -1.610 12.359 1.00 0.00 N ATOM 0 H GLN A 49 0.722 0.792 9.087 1.00 0.00 H new ATOM 0 HA GLN A 49 0.375 -1.689 10.683 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.074 -0.394 8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.266 -2.096 8.731 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.719 0.121 10.778 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.000 -0.536 9.779 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.328 -0.666 12.498 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.143 -2.332 13.058 1.00 0.00 H new ATOM 832 N ALA A 50 1.443 -1.454 7.555 1.00 0.00 N ATOM 833 CA ALA A 50 2.127 -2.129 6.461 1.00 0.00 C ATOM 834 C ALA A 50 1.563 -3.536 6.185 1.00 0.00 C ATOM 835 O ALA A 50 0.804 -4.086 6.979 1.00 0.00 O ATOM 836 CB ALA A 50 3.637 -2.133 6.718 1.00 0.00 C ATOM 0 H ALA A 50 1.018 -0.570 7.273 1.00 0.00 H new ATOM 0 HA ALA A 50 1.941 -1.569 5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.145 -2.639 5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.997 -1.107 6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.846 -2.656 7.651 1.00 0.00 H new ATOM 842 N GLY A 51 1.922 -4.104 5.029 1.00 0.00 N ATOM 843 CA GLY A 51 1.577 -5.447 4.569 1.00 0.00 C ATOM 844 C GLY A 51 0.175 -5.901 4.974 1.00 0.00 C ATOM 845 O GLY A 51 0.013 -6.974 5.553 1.00 0.00 O ATOM 0 H GLY A 51 2.497 -3.605 4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.659 -5.480 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.306 -6.154 4.965 1.00 0.00 H new ATOM 849 N GLY A 52 -0.837 -5.087 4.668 1.00 0.00 N ATOM 850 CA GLY A 52 -2.196 -5.313 5.099 1.00 0.00 C ATOM 851 C GLY A 52 -3.067 -4.177 4.579 1.00 0.00 C ATOM 852 O GLY A 52 -2.566 -3.222 3.969 1.00 0.00 O ATOM 0 H GLY A 52 -0.722 -4.244 4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.558 -6.270 4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.245 -5.359 6.187 1.00 0.00 H new ATOM 856 N ASP A 53 -4.369 -4.329 4.804 1.00 0.00 N ATOM 857 CA ASP A 53 -5.451 -3.420 4.474 1.00 0.00 C ATOM 858 C ASP A 53 -5.300 -2.116 5.247 1.00 0.00 C ATOM 859 O ASP A 53 -5.941 -1.877 6.264 1.00 0.00 O ATOM 860 CB ASP A 53 -6.834 -4.089 4.666 1.00 0.00 C ATOM 861 CG ASP A 53 -6.973 -5.033 5.865 1.00 0.00 C ATOM 862 OD1 ASP A 53 -6.040 -5.846 6.069 1.00 0.00 O ATOM 863 OD2 ASP A 53 -8.040 -4.996 6.508 1.00 0.00 O ATOM 0 H ASP A 53 -4.720 -5.169 5.264 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.391 -3.170 3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.583 -3.303 4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.072 -4.648 3.761 1.00 0.00 H new ATOM 868 N ALA A 54 -4.466 -1.231 4.700 1.00 0.00 N ATOM 869 CA ALA A 54 -4.350 0.140 5.164 1.00 0.00 C ATOM 870 C ALA A 54 -5.503 1.016 4.650 1.00 0.00 C ATOM 871 O ALA A 54 -5.513 2.216 4.934 1.00 0.00 O ATOM 872 CB ALA A 54 -2.972 0.694 4.778 1.00 0.00 C ATOM 0 H ALA A 54 -3.850 -1.453 3.918 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.431 0.156 6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.883 1.723 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.193 0.087 5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.859 0.666 3.694 1.00 0.00 H new ATOM 878 N THR A 55 -6.469 0.453 3.905 1.00 0.00 N ATOM 879 CA THR A 55 -7.620 1.199 3.412 1.00 0.00 C ATOM 880 C THR A 55 -8.271 2.033 4.507 1.00 0.00 C ATOM 881 O THR A 55 -8.433 3.229 4.295 1.00 0.00 O ATOM 882 CB THR A 55 -8.649 0.306 2.704 1.00 0.00 C ATOM 883 OG1 THR A 55 -8.037 -0.233 1.557 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.829 1.146 2.202 1.00 0.00 C ATOM 0 H THR A 55 -6.467 -0.530 3.633 1.00 0.00 H new ATOM 0 HA THR A 55 -7.232 1.887 2.661 1.00 0.00 H new ATOM 0 HB THR A 55 -8.992 -0.458 3.401 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.201 -1.199 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.550 0.499 1.702 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.309 1.640 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.468 1.897 1.500 1.00 0.00 H new ATOM 892 N GLU A 56 -8.621 1.440 5.650 1.00 0.00 N ATOM 893 CA GLU A 56 -9.184 2.143 6.791 1.00 0.00 C ATOM 894 C GLU A 56 -8.492 3.488 6.989 1.00 0.00 C ATOM 895 O GLU A 56 -9.146 4.523 7.032 1.00 0.00 O ATOM 896 CB GLU A 56 -9.047 1.285 8.061 1.00 0.00 C ATOM 897 CG GLU A 56 -10.173 0.254 8.233 1.00 0.00 C ATOM 898 CD GLU A 56 -10.021 -1.021 7.409 1.00 0.00 C ATOM 899 OE1 GLU A 56 -9.537 -0.924 6.258 1.00 0.00 O ATOM 900 OE2 GLU A 56 -10.430 -2.068 7.951 1.00 0.00 O ATOM 0 H GLU A 56 -8.517 0.437 5.806 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.241 2.324 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.090 0.764 8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.030 1.940 8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.235 -0.019 9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.119 0.727 7.970 1.00 0.00 H new ATOM 907 N ASN A 57 -7.162 3.475 7.070 1.00 0.00 N ATOM 908 CA ASN A 57 -6.396 4.682 7.320 1.00 0.00 C ATOM 909 C ASN A 57 -6.426 5.590 6.083 1.00 0.00 C ATOM 910 O ASN A 57 -6.743 6.773 6.171 1.00 0.00 O ATOM 911 CB ASN A 57 -4.977 4.292 7.754 1.00 0.00 C ATOM 912 CG ASN A 57 -4.400 5.298 8.747 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.576 6.501 8.603 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.701 4.812 9.771 1.00 0.00 N ATOM 0 H ASN A 57 -6.595 2.633 6.965 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.837 5.259 8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.993 3.301 8.207 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.331 4.232 6.878 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.297 5.447 10.460 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.570 3.805 9.867 1.00 0.00 H new ATOM 921 N PHE A 58 -6.145 5.024 4.904 1.00 0.00 N ATOM 922 CA PHE A 58 -6.140 5.747 3.631 1.00 0.00 C ATOM 923 C PHE A 58 -7.451 6.507 3.367 1.00 0.00 C ATOM 924 O PHE A 58 -7.428 7.607 2.808 1.00 0.00 O ATOM 925 CB PHE A 58 -5.851 4.759 2.495 1.00 0.00 C ATOM 926 CG PHE A 58 -5.645 5.382 1.126 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.470 6.107 0.861 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.582 5.181 0.094 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.248 6.667 -0.408 1.00 0.00 C ATOM 930 CE2 PHE A 58 -6.337 5.699 -1.190 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.175 6.452 -1.440 1.00 0.00 C ATOM 0 H PHE A 58 -5.911 4.036 4.808 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.357 6.503 3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.960 4.186 2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.678 4.051 2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.732 6.234 1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.489 4.629 0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.365 7.262 -0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.043 5.518 -1.987 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.997 6.863 -2.423 1.00 0.00 H new ATOM 941 N GLU A 59 -8.582 5.913 3.751 1.00 0.00 N ATOM 942 CA GLU A 59 -9.916 6.473 3.597 1.00 0.00 C ATOM 943 C GLU A 59 -10.312 7.314 4.816 1.00 0.00 C ATOM 944 O GLU A 59 -11.053 8.275 4.645 1.00 0.00 O ATOM 945 CB GLU A 59 -10.930 5.359 3.307 1.00 0.00 C ATOM 946 CG GLU A 59 -10.870 4.891 1.835 1.00 0.00 C ATOM 947 CD GLU A 59 -11.515 5.860 0.821 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.726 6.102 0.999 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.837 6.328 -0.137 1.00 0.00 O ATOM 0 H GLU A 59 -8.589 4.994 4.194 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.913 7.149 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.736 4.512 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.935 5.715 3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.826 4.740 1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.364 3.923 1.756 1.00 0.00 H new ATOM 956 N ASP A 60 -9.798 7.019 6.018 1.00 0.00 N ATOM 957 CA ASP A 60 -9.951 7.900 7.180 1.00 0.00 C ATOM 958 C ASP A 60 -9.534 9.327 6.814 1.00 0.00 C ATOM 959 O ASP A 60 -10.310 10.267 6.968 1.00 0.00 O ATOM 960 CB ASP A 60 -9.142 7.395 8.383 1.00 0.00 C ATOM 961 CG ASP A 60 -9.325 8.310 9.586 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.465 8.356 10.096 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.322 8.941 9.981 1.00 0.00 O ATOM 0 H ASP A 60 -9.268 6.169 6.210 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.002 7.897 7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.458 6.384 8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.086 7.342 8.119 1.00 0.00 H new ATOM 968 N VAL A 61 -8.326 9.478 6.259 1.00 0.00 N ATOM 969 CA VAL A 61 -7.902 10.771 5.722 1.00 0.00 C ATOM 970 C VAL A 61 -8.685 11.178 4.471 1.00 0.00 C ATOM 971 O VAL A 61 -8.809 12.369 4.199 1.00 0.00 O ATOM 972 CB VAL A 61 -6.379 10.864 5.519 1.00 0.00 C ATOM 973 CG1 VAL A 61 -5.668 11.186 6.842 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.750 9.623 4.912 1.00 0.00 C ATOM 0 H VAL A 61 -7.636 8.732 6.172 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.150 11.505 6.488 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.243 11.673 4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.593 11.246 6.672 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.029 12.140 7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.877 10.400 7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.676 9.775 4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.932 8.768 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.190 9.434 3.933 1.00 0.00 H new ATOM 984 N GLY A 62 -9.213 10.216 3.708 1.00 0.00 N ATOM 985 CA GLY A 62 -10.017 10.501 2.529 1.00 0.00 C ATOM 986 C GLY A 62 -9.187 11.308 1.539 1.00 0.00 C ATOM 987 O GLY A 62 -9.520 12.447 1.215 1.00 0.00 O ATOM 0 H GLY A 62 -9.092 9.221 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.351 9.571 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.911 11.057 2.810 1.00 0.00 H new ATOM 991 N HIS A 63 -8.073 10.707 1.114 1.00 0.00 N ATOM 992 CA HIS A 63 -7.020 11.354 0.346 1.00 0.00 C ATOM 993 C HIS A 63 -7.512 12.192 -0.839 1.00 0.00 C ATOM 994 O HIS A 63 -8.560 11.929 -1.430 1.00 0.00 O ATOM 995 CB HIS A 63 -6.058 10.289 -0.178 1.00 0.00 C ATOM 996 CG HIS A 63 -4.992 9.876 0.792 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.134 8.986 1.823 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.676 10.244 0.733 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.921 8.834 2.378 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -2.987 9.565 1.740 1.00 0.00 N ATOM 0 H HIS A 63 -7.878 9.724 1.304 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.536 12.048 1.033 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.633 9.408 -0.462 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.581 10.664 -1.084 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -5.997 8.526 2.114 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.244 10.940 0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.719 8.203 3.231 1.00 0.00 H new ATOM 1008 N SER A 64 -6.684 13.170 -1.222 1.00 0.00 N ATOM 1009 CA SER A 64 -6.908 14.005 -2.389 1.00 0.00 C ATOM 1010 C SER A 64 -7.042 13.178 -3.668 1.00 0.00 C ATOM 1011 O SER A 64 -6.655 12.011 -3.746 1.00 0.00 O ATOM 1012 CB SER A 64 -5.766 15.016 -2.540 1.00 0.00 C ATOM 1013 OG SER A 64 -4.529 14.347 -2.718 1.00 0.00 O ATOM 0 H SER A 64 -5.829 13.401 -0.717 1.00 0.00 H new ATOM 0 HA SER A 64 -7.849 14.534 -2.237 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.960 15.667 -3.392 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.718 15.653 -1.657 1.00 0.00 H new ATOM 0 HG SER A 64 -3.811 15.007 -2.814 1.00 0.00 H new ATOM 1019 N THR A 65 -7.558 13.830 -4.708 1.00 0.00 N ATOM 1020 CA THR A 65 -7.720 13.191 -6.004 1.00 0.00 C ATOM 1021 C THR A 65 -6.342 12.864 -6.595 1.00 0.00 C ATOM 1022 O THR A 65 -6.110 11.750 -7.067 1.00 0.00 O ATOM 1023 CB THR A 65 -8.632 14.047 -6.901 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.213 13.238 -7.899 1.00 0.00 O ATOM 1025 CG2 THR A 65 -7.930 15.246 -7.549 1.00 0.00 C ATOM 0 H THR A 65 -7.870 14.801 -4.674 1.00 0.00 H new ATOM 0 HA THR A 65 -8.231 12.233 -5.910 1.00 0.00 H new ATOM 0 HB THR A 65 -9.396 14.464 -6.245 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.794 13.786 -8.467 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.642 15.796 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.539 15.903 -6.772 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.109 14.893 -8.173 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.405 13.818 -6.486 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.024 13.659 -6.926 1.00 0.00 C ATOM 1035 C ASP A 66 -3.451 12.381 -6.337 1.00 0.00 C ATOM 1036 O ASP A 66 -2.877 11.567 -7.054 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.173 14.870 -6.499 1.00 0.00 C ATOM 1038 CG ASP A 66 -2.862 15.813 -7.655 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -3.759 15.993 -8.505 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -1.733 16.346 -7.653 1.00 0.00 O ATOM 0 H ASP A 66 -5.596 14.735 -6.082 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.004 13.598 -8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.699 15.421 -5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.238 14.516 -6.064 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.630 12.189 -5.028 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.166 10.988 -4.360 1.00 0.00 C ATOM 1047 C ALA A 67 -3.690 9.720 -5.033 1.00 0.00 C ATOM 1048 O ALA A 67 -2.913 8.784 -5.190 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.567 11.005 -2.894 1.00 0.00 C ATOM 0 H ALA A 67 -4.096 12.857 -4.414 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.079 10.977 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.211 10.096 -2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.126 11.874 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.653 11.057 -2.814 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.970 9.651 -5.427 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.488 8.451 -6.086 1.00 0.00 C ATOM 1057 C ARG A 68 -4.672 8.134 -7.341 1.00 0.00 C ATOM 1058 O ARG A 68 -4.214 7.006 -7.513 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.980 8.548 -6.444 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.923 8.606 -5.229 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.227 7.828 -5.507 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.416 8.433 -4.875 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.959 8.171 -3.665 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -10.337 7.392 -2.765 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -12.153 8.706 -3.382 1.00 0.00 N ATOM 0 H ARG A 68 -5.652 10.399 -5.302 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.388 7.641 -5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.138 9.438 -7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.250 7.689 -7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.424 8.187 -4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.157 9.644 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.386 7.772 -6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.115 6.805 -5.148 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.893 9.146 -5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.430 6.980 -2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.771 7.212 -1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.625 9.292 -4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.590 8.528 -2.478 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.466 9.121 -8.214 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.663 8.891 -9.408 1.00 0.00 C ATOM 1081 C GLU A 69 -2.218 8.566 -9.033 1.00 0.00 C ATOM 1082 O GLU A 69 -1.614 7.647 -9.582 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.760 10.086 -10.363 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.113 10.091 -11.091 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.259 8.880 -12.011 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.590 8.889 -13.066 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -6.000 7.946 -11.628 1.00 0.00 O ATOM 0 H GLU A 69 -4.836 10.067 -8.118 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.059 8.024 -9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.638 11.014 -9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.950 10.043 -11.091 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.921 10.093 -10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.210 11.006 -11.675 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.659 9.273 -8.054 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.309 9.008 -7.590 1.00 0.00 C ATOM 1096 C LEU A 70 -0.189 7.570 -7.073 1.00 0.00 C ATOM 1097 O LEU A 70 0.834 6.922 -7.277 1.00 0.00 O ATOM 1098 CB LEU A 70 0.098 10.047 -6.539 1.00 0.00 C ATOM 1099 CG LEU A 70 1.621 10.233 -6.469 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.174 10.905 -7.735 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.972 11.097 -5.253 1.00 0.00 C ATOM 0 H LEU A 70 -2.127 10.037 -7.567 1.00 0.00 H new ATOM 0 HA LEU A 70 0.386 9.100 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.373 11.002 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.274 9.739 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 70 2.073 9.245 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.254 11.018 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.945 10.288 -8.604 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.715 11.886 -7.856 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.053 11.230 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.490 12.070 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.623 10.606 -4.345 1.00 0.00 H new ATOM 1113 N SER A 71 -1.250 7.038 -6.455 1.00 0.00 N ATOM 1114 CA SER A 71 -1.320 5.631 -6.096 1.00 0.00 C ATOM 1115 C SER A 71 -1.004 4.777 -7.322 1.00 0.00 C ATOM 1116 O SER A 71 -0.187 3.869 -7.228 1.00 0.00 O ATOM 1117 CB SER A 71 -2.681 5.250 -5.491 1.00 0.00 C ATOM 1118 OG SER A 71 -3.123 6.156 -4.503 1.00 0.00 O ATOM 0 H SER A 71 -2.077 7.575 -6.194 1.00 0.00 H new ATOM 0 HA SER A 71 -0.577 5.441 -5.322 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.424 5.199 -6.287 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.612 4.253 -5.056 1.00 0.00 H new ATOM 0 HG SER A 71 -3.163 7.059 -4.882 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.605 5.074 -8.481 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.349 4.313 -9.699 1.00 0.00 C ATOM 1126 C LYS A 72 0.157 4.193 -9.962 1.00 0.00 C ATOM 1127 O LYS A 72 0.655 3.095 -10.179 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.099 4.887 -10.917 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.101 3.886 -11.505 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.453 4.051 -10.800 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.370 2.860 -11.102 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.773 3.165 -10.760 1.00 0.00 N ATOM 0 H LYS A 72 -2.272 5.837 -8.596 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.743 3.309 -9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.625 5.795 -10.623 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.379 5.171 -11.684 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.213 4.053 -12.576 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.733 2.868 -11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.300 4.135 -9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.929 4.975 -11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.299 2.602 -12.159 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.037 1.989 -10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.370 2.341 -10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.843 3.388 -9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.097 3.981 -11.317 1.00 0.00 H new ATOM 1146 N THR A 73 0.903 5.296 -9.887 1.00 0.00 N ATOM 1147 CA THR A 73 2.345 5.291 -10.049 1.00 0.00 C ATOM 1148 C THR A 73 3.064 4.341 -9.075 1.00 0.00 C ATOM 1149 O THR A 73 4.138 3.844 -9.404 1.00 0.00 O ATOM 1150 CB THR A 73 2.823 6.744 -9.936 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.285 7.481 -11.015 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.339 6.876 -9.935 1.00 0.00 C ATOM 0 H THR A 73 0.514 6.222 -9.710 1.00 0.00 H new ATOM 0 HA THR A 73 2.603 4.891 -11.030 1.00 0.00 H new ATOM 0 HB THR A 73 2.475 7.132 -8.979 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.581 8.413 -10.954 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.613 7.928 -9.853 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.752 6.327 -9.089 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.740 6.468 -10.863 1.00 0.00 H new ATOM 1160 N TYR A 74 2.495 4.073 -7.895 1.00 0.00 N ATOM 1161 CA TYR A 74 3.074 3.162 -6.913 1.00 0.00 C ATOM 1162 C TYR A 74 2.473 1.759 -7.005 1.00 0.00 C ATOM 1163 O TYR A 74 2.886 0.861 -6.267 1.00 0.00 O ATOM 1164 CB TYR A 74 2.866 3.736 -5.508 1.00 0.00 C ATOM 1165 CG TYR A 74 3.662 4.999 -5.245 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.068 4.956 -5.258 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.006 6.227 -5.054 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.810 6.149 -5.217 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.752 7.410 -4.934 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.146 7.381 -5.091 1.00 0.00 C ATOM 1171 OH TYR A 74 5.839 8.553 -5.155 1.00 0.00 O ATOM 0 H TYR A 74 1.612 4.488 -7.596 1.00 0.00 H new ATOM 0 HA TYR A 74 4.139 3.068 -7.125 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.806 3.948 -5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.143 2.982 -4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.578 4.005 -5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.928 6.261 -5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.888 6.119 -5.282 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.252 8.343 -4.721 1.00 0.00 H new ATOM 0 HH TYR A 74 5.902 8.945 -4.259 1.00 0.00 H new ATOM 1181 N ILE A 75 1.474 1.568 -7.869 1.00 0.00 N ATOM 1182 CA ILE A 75 0.766 0.307 -7.978 1.00 0.00 C ATOM 1183 C ILE A 75 1.705 -0.730 -8.566 1.00 0.00 C ATOM 1184 O ILE A 75 2.409 -0.454 -9.537 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.538 0.480 -8.775 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.651 -0.401 -8.187 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.423 0.193 -10.282 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -3.014 0.085 -8.681 1.00 0.00 C ATOM 0 H ILE A 75 1.139 2.288 -8.509 1.00 0.00 H new ATOM 0 HA ILE A 75 0.459 -0.047 -6.994 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.779 1.539 -8.679 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.498 -1.440 -8.480 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.616 -0.368 -7.098 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.393 0.342 -10.756 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.306 0.870 -10.727 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.100 -0.837 -10.433 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.799 -0.544 -8.261 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.168 1.117 -8.366 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.048 0.029 -9.769 1.00 0.00 H new ATOM 1200 N ILE A 76 1.726 -1.914 -7.963 1.00 0.00 N ATOM 1201 CA ILE A 76 2.531 -3.012 -8.466 1.00 0.00 C ATOM 1202 C ILE A 76 1.610 -4.108 -8.989 1.00 0.00 C ATOM 1203 O ILE A 76 1.769 -4.538 -10.127 1.00 0.00 O ATOM 1204 CB ILE A 76 3.558 -3.463 -7.411 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.897 -3.987 -6.125 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.501 -2.285 -7.118 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.884 -4.266 -4.994 1.00 0.00 C ATOM 0 H ILE A 76 1.191 -2.134 -7.123 1.00 0.00 H new ATOM 0 HA ILE A 76 3.138 -2.697 -9.315 1.00 0.00 H new ATOM 0 HB ILE A 76 4.124 -4.304 -7.811 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.163 -3.258 -5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.353 -4.903 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.237 -2.585 -6.372 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.013 -1.992 -8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.923 -1.442 -6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.343 -4.632 -4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.604 -5.018 -5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.410 -3.347 -4.735 1.00 0.00 H new ATOM 1219 N GLY A 77 0.641 -4.533 -8.176 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.222 -5.675 -8.425 1.00 0.00 C ATOM 1221 C GLY A 77 -1.513 -5.491 -7.629 1.00 0.00 C ATOM 1222 O GLY A 77 -1.780 -4.402 -7.121 1.00 0.00 O ATOM 0 H GLY A 77 0.433 -4.068 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.442 -5.758 -9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.277 -6.598 -8.129 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.279 -6.570 -7.468 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.566 -6.603 -6.791 1.00 0.00 C ATOM 1228 C GLU A 78 -3.629 -7.837 -5.891 1.00 0.00 C ATOM 1229 O GLU A 78 -2.678 -8.611 -5.823 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.711 -6.581 -7.816 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.701 -5.320 -8.695 1.00 0.00 C ATOM 1232 CD GLU A 78 -3.858 -5.426 -9.961 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -3.118 -6.426 -10.107 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -3.980 -4.480 -10.766 1.00 0.00 O ATOM 0 H GLU A 78 -2.002 -7.485 -7.824 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.679 -5.717 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.639 -7.463 -8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.664 -6.644 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.727 -5.084 -8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.334 -4.483 -8.101 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.742 -8.018 -5.180 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.933 -9.161 -4.297 1.00 0.00 C ATOM 1243 C LEU A 79 -5.198 -10.395 -5.154 1.00 0.00 C ATOM 1244 O LEU A 79 -6.141 -10.392 -5.946 1.00 0.00 O ATOM 1245 CB LEU A 79 -6.113 -8.907 -3.347 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.760 -8.053 -2.118 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -4.936 -8.842 -1.094 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -5.015 -6.773 -2.492 1.00 0.00 C ATOM 0 H LEU A 79 -5.534 -7.375 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.040 -9.316 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.911 -8.414 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.505 -9.866 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.713 -7.775 -1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.707 -8.203 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.507 -9.707 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.007 -9.178 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.789 -6.206 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.086 -7.028 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.637 -6.170 -3.153 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.368 -11.432 -5.009 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.490 -12.663 -5.780 1.00 0.00 C ATOM 1262 C HIS A 80 -5.924 -13.210 -5.736 1.00 0.00 C ATOM 1263 O HIS A 80 -6.527 -13.235 -4.661 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.474 -13.686 -5.260 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.083 -14.737 -6.261 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.500 -16.047 -6.276 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.186 -14.577 -7.283 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -2.890 -16.652 -7.310 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.083 -15.796 -7.955 1.00 0.00 N ATOM 0 H HIS A 80 -3.590 -11.437 -4.349 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.271 -12.454 -6.827 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.577 -13.157 -4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.889 -14.177 -4.380 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.653 -13.669 -7.526 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.031 -17.687 -7.584 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.508 -15.996 -8.774 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.481 -13.645 -6.882 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.879 -14.030 -6.984 1.00 0.00 C ATOM 1279 C PRO A 81 -8.266 -15.111 -5.973 1.00 0.00 C ATOM 1280 O PRO A 81 -9.393 -15.101 -5.474 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.131 -14.431 -8.441 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.736 -14.620 -9.035 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.841 -13.726 -8.184 1.00 0.00 C ATOM 0 HA PRO A 81 -8.526 -13.193 -6.722 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.716 -15.348 -8.504 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.688 -13.660 -8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.420 -15.662 -8.985 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.708 -14.328 -10.085 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.838 -14.144 -8.101 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.738 -12.737 -8.631 1.00 0.00 H new