USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 622 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 13 SER OG : rot 180:sc= -0.242 USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0 X(o=-0.24,f=-0.38) USER MOD Single : A 9 MET CE :methyl -150:sc= -0.197 (180deg=-0.814) USER MOD Single : A 14 SER OG : rot 140:sc= 0.338 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 78:sc= 1.06 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 165:sc= -2.69! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 134:sc= -0.468 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 20:sc= 0.41 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -11:sc= -0.0757 USER MOD Single : A 49 MET CE :methyl -159:sc= -3.19 (180deg=-4.13!) USER MOD Single : A 54 TYR OH : rot -32:sc= 0.913 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.15 USER MOD Single : A 80 CYS SG : rot 90:sc= -0.287 USER MOD Single : A 87 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.029 -8.898 10.495 1.00 0.00 N ATOM 60 CA GLY A 7 0.418 -8.111 9.337 1.00 0.00 C ATOM 61 C GLY A 7 0.978 -6.751 9.760 1.00 0.00 C ATOM 62 O GLY A 7 1.700 -6.655 10.751 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.167 -8.653 8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.444 -7.967 8.685 1.00 0.00 H new ATOM 66 N VAL A 8 0.623 -5.735 8.988 1.00 0.00 N ATOM 67 CA VAL A 8 1.081 -4.385 9.271 1.00 0.00 C ATOM 68 C VAL A 8 -0.030 -3.392 8.926 1.00 0.00 C ATOM 69 O VAL A 8 -0.690 -3.526 7.896 1.00 0.00 O ATOM 70 CB VAL A 8 2.385 -4.107 8.520 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.599 -4.471 9.378 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.417 -4.849 7.183 1.00 0.00 C ATOM 0 H VAL A 8 0.024 -5.819 8.167 1.00 0.00 H new ATOM 0 HA VAL A 8 1.302 -4.271 10.332 1.00 0.00 H new ATOM 0 HB VAL A 8 2.430 -3.038 8.311 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.513 -4.264 8.821 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.589 -3.878 10.293 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.561 -5.530 9.632 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.354 -4.634 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.338 -5.922 7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.581 -4.521 6.565 1.00 0.00 H new ATOM 82 N MET A 9 -0.203 -2.417 9.806 1.00 0.00 N ATOM 83 CA MET A 9 -1.223 -1.401 9.608 1.00 0.00 C ATOM 84 C MET A 9 -0.644 -0.174 8.900 1.00 0.00 C ATOM 85 O MET A 9 0.173 0.548 9.470 1.00 0.00 O ATOM 86 CB MET A 9 -1.799 -0.985 10.963 1.00 0.00 C ATOM 87 CG MET A 9 -2.458 0.394 10.878 1.00 0.00 C ATOM 88 SD MET A 9 -3.951 0.418 11.856 1.00 0.00 S ATOM 89 CE MET A 9 -4.973 -0.680 10.888 1.00 0.00 C ATOM 0 H MET A 9 0.346 -2.309 10.659 1.00 0.00 H new ATOM 0 HA MET A 9 -2.011 -1.820 8.982 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.531 -1.722 11.293 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.005 -0.967 11.710 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.768 1.159 11.234 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.690 0.632 9.840 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.019 -0.395 10.998 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.687 -0.612 9.838 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.837 -1.704 11.236 1.00 0.00 H new ATOM 99 N VAL A 10 -1.091 0.024 7.669 1.00 0.00 N ATOM 100 CA VAL A 10 -0.627 1.151 6.877 1.00 0.00 C ATOM 101 C VAL A 10 -1.829 1.995 6.448 1.00 0.00 C ATOM 102 O VAL A 10 -2.898 1.459 6.160 1.00 0.00 O ATOM 103 CB VAL A 10 0.206 0.653 5.695 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.285 -0.328 6.159 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.684 0.022 4.623 1.00 0.00 C ATOM 0 H VAL A 10 -1.769 -0.576 7.200 1.00 0.00 H new ATOM 0 HA VAL A 10 0.026 1.792 7.470 1.00 0.00 H new ATOM 0 HB VAL A 10 0.705 1.514 5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.863 -0.667 5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.947 0.168 6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.815 -1.185 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.066 -0.323 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.224 -0.823 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.397 0.762 4.260 1.00 0.00 H new ATOM 115 N PHE A 11 -1.613 3.302 6.418 1.00 0.00 N ATOM 116 CA PHE A 11 -2.665 4.226 6.029 1.00 0.00 C ATOM 117 C PHE A 11 -2.609 4.520 4.528 1.00 0.00 C ATOM 118 O PHE A 11 -1.740 5.259 4.069 1.00 0.00 O ATOM 119 CB PHE A 11 -2.428 5.525 6.800 1.00 0.00 C ATOM 120 CG PHE A 11 -2.971 5.508 8.230 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.313 5.530 8.449 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.111 5.472 9.283 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.817 5.514 9.776 1.00 0.00 C ATOM 124 CE2 PHE A 11 -2.615 5.456 10.611 1.00 0.00 C ATOM 125 CZ PHE A 11 -3.957 5.477 10.829 1.00 0.00 C ATOM 0 H PHE A 11 -0.725 3.743 6.657 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.641 3.794 6.251 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.357 5.727 6.831 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.892 6.348 6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.996 5.560 7.613 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.045 5.456 9.110 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.883 5.531 9.949 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.932 5.427 11.447 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.340 5.464 11.839 1.00 0.00 H new ATOM 135 N ILE A 12 -3.547 3.925 3.806 1.00 0.00 N ATOM 136 CA ILE A 12 -3.616 4.114 2.366 1.00 0.00 C ATOM 137 C ILE A 12 -4.374 5.407 2.061 1.00 0.00 C ATOM 138 O ILE A 12 -5.436 5.657 2.630 1.00 0.00 O ATOM 139 CB ILE A 12 -4.212 2.877 1.692 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.568 1.596 2.226 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.107 2.979 0.169 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.150 1.426 1.679 1.00 0.00 C ATOM 0 H ILE A 12 -4.266 3.312 4.191 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.616 4.225 1.948 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.272 2.831 1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.540 1.625 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.175 0.735 1.946 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.538 2.087 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.649 3.860 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.059 3.063 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.715 0.508 2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.184 1.372 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.539 2.276 1.982 1.00 0.00 H new ATOM 154 N SER A 13 -3.800 6.195 1.164 1.00 0.00 N ATOM 155 CA SER A 13 -4.409 7.456 0.777 1.00 0.00 C ATOM 156 C SER A 13 -4.329 7.631 -0.741 1.00 0.00 C ATOM 157 O SER A 13 -3.582 6.921 -1.413 1.00 0.00 O ATOM 158 CB SER A 13 -3.734 8.633 1.484 1.00 0.00 C ATOM 159 OG SER A 13 -2.378 8.351 1.815 1.00 0.00 O ATOM 0 H SER A 13 -2.920 5.985 0.694 1.00 0.00 H new ATOM 0 HA SER A 13 -5.456 7.438 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.775 9.513 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.286 8.875 2.392 1.00 0.00 H new ATOM 0 HG SER A 13 -1.982 9.128 2.263 1.00 0.00 H new ATOM 165 N SER A 14 -5.108 8.581 -1.237 1.00 0.00 N ATOM 166 CA SER A 14 -5.134 8.859 -2.663 1.00 0.00 C ATOM 167 C SER A 14 -5.808 10.208 -2.921 1.00 0.00 C ATOM 168 O SER A 14 -6.631 10.657 -2.125 1.00 0.00 O ATOM 169 CB SER A 14 -5.859 7.749 -3.427 1.00 0.00 C ATOM 170 OG SER A 14 -7.271 7.815 -3.251 1.00 0.00 O ATOM 0 H SER A 14 -5.726 9.168 -0.677 1.00 0.00 H new ATOM 0 HA SER A 14 -4.106 8.899 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.622 7.825 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.496 6.779 -3.088 1.00 0.00 H new ATOM 0 HG SER A 14 -7.716 7.619 -4.102 1.00 0.00 H new ATOM 176 N SER A 15 -5.434 10.817 -4.036 1.00 0.00 N ATOM 177 CA SER A 15 -5.992 12.106 -4.409 1.00 0.00 C ATOM 178 C SER A 15 -7.443 11.936 -4.862 1.00 0.00 C ATOM 179 O SER A 15 -8.145 12.920 -5.089 1.00 0.00 O ATOM 180 CB SER A 15 -5.164 12.765 -5.515 1.00 0.00 C ATOM 181 OG SER A 15 -4.862 14.125 -5.216 1.00 0.00 O ATOM 0 H SER A 15 -4.751 10.442 -4.694 1.00 0.00 H new ATOM 0 HA SER A 15 -5.965 12.757 -3.535 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.236 12.209 -5.654 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.710 12.713 -6.457 1.00 0.00 H new ATOM 0 HG SER A 15 -4.331 14.510 -5.944 1.00 0.00 H new ATOM 187 N LEU A 16 -7.850 10.681 -4.981 1.00 0.00 N ATOM 188 CA LEU A 16 -9.205 10.370 -5.402 1.00 0.00 C ATOM 189 C LEU A 16 -10.114 10.300 -4.173 1.00 0.00 C ATOM 190 O LEU A 16 -11.210 10.858 -4.175 1.00 0.00 O ATOM 191 CB LEU A 16 -9.223 9.099 -6.254 1.00 0.00 C ATOM 192 CG LEU A 16 -8.112 8.976 -7.299 1.00 0.00 C ATOM 193 CD1 LEU A 16 -7.451 7.597 -7.236 1.00 0.00 C ATOM 194 CD2 LEU A 16 -8.638 9.295 -8.699 1.00 0.00 C ATOM 0 H LEU A 16 -7.265 9.867 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.596 11.161 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.165 8.238 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.184 9.042 -6.766 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.343 9.713 -7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.665 7.536 -7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.019 7.446 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.198 6.826 -7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.828 9.200 -9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.437 8.599 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.025 10.314 -8.719 1.00 0.00 H new ATOM 206 N ASN A 17 -9.624 9.610 -3.154 1.00 0.00 N ATOM 207 CA ASN A 17 -10.378 9.459 -1.921 1.00 0.00 C ATOM 208 C ASN A 17 -10.109 10.661 -1.013 1.00 0.00 C ATOM 209 O ASN A 17 -10.949 11.024 -0.192 1.00 0.00 O ATOM 210 CB ASN A 17 -9.958 8.195 -1.169 1.00 0.00 C ATOM 211 CG ASN A 17 -11.007 7.092 -1.322 1.00 0.00 C ATOM 212 OD1 ASN A 17 -11.812 6.839 -0.441 1.00 0.00 O ATOM 213 ND2 ASN A 17 -10.952 6.451 -2.486 1.00 0.00 N ATOM 0 H ASN A 17 -8.714 9.149 -3.157 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.435 9.390 -2.179 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.998 7.844 -1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.819 8.425 -0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.609 5.697 -2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.252 6.714 -3.180 1.00 0.00 H new ATOM 220 N SER A 18 -8.933 11.246 -1.193 1.00 0.00 N ATOM 221 CA SER A 18 -8.542 12.399 -0.400 1.00 0.00 C ATOM 222 C SER A 18 -8.263 11.973 1.042 1.00 0.00 C ATOM 223 O SER A 18 -7.125 12.037 1.504 1.00 0.00 O ATOM 224 CB SER A 18 -9.622 13.482 -0.434 1.00 0.00 C ATOM 225 OG SER A 18 -10.049 13.769 -1.763 1.00 0.00 O ATOM 0 H SER A 18 -8.239 10.943 -1.876 1.00 0.00 H new ATOM 0 HA SER A 18 -7.632 12.817 -0.830 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.477 13.160 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.238 14.392 0.028 1.00 0.00 H new ATOM 0 HG SER A 18 -10.740 14.464 -1.742 1.00 0.00 H new ATOM 231 N PHE A 19 -9.322 11.547 1.715 1.00 0.00 N ATOM 232 CA PHE A 19 -9.206 11.110 3.096 1.00 0.00 C ATOM 233 C PHE A 19 -8.219 9.948 3.222 1.00 0.00 C ATOM 234 O PHE A 19 -7.721 9.440 2.218 1.00 0.00 O ATOM 235 CB PHE A 19 -10.593 10.634 3.533 1.00 0.00 C ATOM 236 CG PHE A 19 -11.359 11.649 4.385 1.00 0.00 C ATOM 237 CD1 PHE A 19 -12.013 12.681 3.789 1.00 0.00 C ATOM 238 CD2 PHE A 19 -11.385 11.518 5.738 1.00 0.00 C ATOM 239 CE1 PHE A 19 -12.724 13.622 4.580 1.00 0.00 C ATOM 240 CE2 PHE A 19 -12.095 12.459 6.529 1.00 0.00 C ATOM 241 CZ PHE A 19 -12.750 13.491 5.933 1.00 0.00 C ATOM 0 H PHE A 19 -10.265 11.495 1.329 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.843 11.930 3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.182 10.401 2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.487 9.708 4.097 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.992 12.785 2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.865 10.698 6.211 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -13.244 14.442 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.115 12.355 7.604 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.291 14.207 6.534 1.00 0.00 H new ATOM 251 N ARG A 20 -7.965 9.561 4.463 1.00 0.00 N ATOM 252 CA ARG A 20 -7.046 8.469 4.734 1.00 0.00 C ATOM 253 C ARG A 20 -7.809 7.147 4.839 1.00 0.00 C ATOM 254 O ARG A 20 -8.923 7.109 5.360 1.00 0.00 O ATOM 255 CB ARG A 20 -6.272 8.708 6.032 1.00 0.00 C ATOM 256 CG ARG A 20 -4.885 9.285 5.745 1.00 0.00 C ATOM 257 CD ARG A 20 -4.982 10.737 5.272 1.00 0.00 C ATOM 258 NE ARG A 20 -4.150 11.606 6.134 1.00 0.00 N ATOM 259 CZ ARG A 20 -4.557 12.114 7.306 1.00 0.00 C ATOM 260 NH1 ARG A 20 -5.787 11.842 7.762 1.00 0.00 N ATOM 261 NH2 ARG A 20 -3.735 12.893 8.021 1.00 0.00 N ATOM 0 H ARG A 20 -8.380 9.985 5.293 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.338 8.419 3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.829 9.393 6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.174 7.770 6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.272 9.232 6.645 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.387 8.684 4.984 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.651 10.814 4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.020 11.069 5.300 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.208 11.833 5.816 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.413 11.249 7.218 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.097 12.228 8.654 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.799 13.100 7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.045 13.279 8.913 1.00 0.00 H new ATOM 275 N SER A 21 -7.179 6.095 4.337 1.00 0.00 N ATOM 276 CA SER A 21 -7.785 4.775 4.368 1.00 0.00 C ATOM 277 C SER A 21 -7.080 3.900 5.406 1.00 0.00 C ATOM 278 O SER A 21 -5.863 3.978 5.566 1.00 0.00 O ATOM 279 CB SER A 21 -7.731 4.111 2.990 1.00 0.00 C ATOM 280 OG SER A 21 -7.654 5.070 1.939 1.00 0.00 O ATOM 0 H SER A 21 -6.255 6.130 3.907 1.00 0.00 H new ATOM 0 HA SER A 21 -8.833 4.887 4.647 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.867 3.448 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.617 3.491 2.851 1.00 0.00 H new ATOM 0 HG SER A 21 -6.738 5.413 1.875 1.00 0.00 H new ATOM 286 N GLU A 22 -7.875 3.086 6.086 1.00 0.00 N ATOM 287 CA GLU A 22 -7.342 2.198 7.104 1.00 0.00 C ATOM 288 C GLU A 22 -7.503 0.739 6.673 1.00 0.00 C ATOM 289 O GLU A 22 -8.578 0.159 6.821 1.00 0.00 O ATOM 290 CB GLU A 22 -8.014 2.447 8.456 1.00 0.00 C ATOM 291 CG GLU A 22 -6.985 2.447 9.588 1.00 0.00 C ATOM 292 CD GLU A 22 -7.602 2.964 10.890 1.00 0.00 C ATOM 293 OE1 GLU A 22 -8.532 2.290 11.384 1.00 0.00 O ATOM 294 OE2 GLU A 22 -7.131 4.021 11.361 1.00 0.00 O ATOM 0 H GLU A 22 -8.884 3.023 5.951 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.279 2.407 7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.537 3.403 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.763 1.677 8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.604 1.437 9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.135 3.071 9.311 1.00 0.00 H new ATOM 301 N LYS A 23 -6.419 0.187 6.148 1.00 0.00 N ATOM 302 CA LYS A 23 -6.427 -1.194 5.694 1.00 0.00 C ATOM 303 C LYS A 23 -5.258 -1.943 6.335 1.00 0.00 C ATOM 304 O LYS A 23 -4.499 -1.368 7.114 1.00 0.00 O ATOM 305 CB LYS A 23 -6.432 -1.255 4.165 1.00 0.00 C ATOM 306 CG LYS A 23 -7.766 -0.760 3.602 1.00 0.00 C ATOM 307 CD LYS A 23 -8.476 -1.868 2.820 1.00 0.00 C ATOM 308 CE LYS A 23 -9.103 -1.319 1.537 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.579 -1.322 1.640 1.00 0.00 N ATOM 0 H LYS A 23 -5.529 0.671 6.027 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.341 -1.695 6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.618 -0.647 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.252 -2.279 3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.404 -0.419 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.594 0.097 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.765 -2.656 2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.249 -2.319 3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.747 -0.305 1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.791 -1.923 0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.989 -0.946 0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.915 -2.295 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.872 -0.727 2.441 1.00 0.00 H new ATOM 323 N ARG A 24 -5.149 -3.216 5.985 1.00 0.00 N ATOM 324 CA ARG A 24 -4.085 -4.051 6.516 1.00 0.00 C ATOM 325 C ARG A 24 -3.507 -4.940 5.414 1.00 0.00 C ATOM 326 O ARG A 24 -4.229 -5.369 4.515 1.00 0.00 O ATOM 327 CB ARG A 24 -4.594 -4.932 7.658 1.00 0.00 C ATOM 328 CG ARG A 24 -3.573 -6.014 8.014 1.00 0.00 C ATOM 329 CD ARG A 24 -4.098 -6.918 9.131 1.00 0.00 C ATOM 330 NE ARG A 24 -3.625 -8.305 8.924 1.00 0.00 N ATOM 331 CZ ARG A 24 -4.021 -9.092 7.914 1.00 0.00 C ATOM 332 NH1 ARG A 24 -4.900 -8.633 7.013 1.00 0.00 N ATOM 333 NH2 ARG A 24 -3.539 -10.337 7.806 1.00 0.00 N ATOM 0 H ARG A 24 -5.781 -3.690 5.339 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.307 -3.391 6.900 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.797 -4.316 8.534 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.537 -5.397 7.370 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.350 -6.613 7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.639 -5.548 8.327 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.757 -6.549 10.099 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.188 -6.895 9.147 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.955 -8.686 9.592 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.267 -7.685 7.096 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.202 -9.231 6.244 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.870 -10.686 8.493 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.841 -10.936 7.037 1.00 0.00 H new ATOM 347 N TYR A 25 -2.210 -5.192 5.519 1.00 0.00 N ATOM 348 CA TYR A 25 -1.527 -6.023 4.542 1.00 0.00 C ATOM 349 C TYR A 25 -0.365 -6.782 5.185 1.00 0.00 C ATOM 350 O TYR A 25 -0.094 -6.619 6.374 1.00 0.00 O ATOM 351 CB TYR A 25 -0.973 -5.064 3.487 1.00 0.00 C ATOM 352 CG TYR A 25 -2.041 -4.215 2.795 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.689 -4.699 1.676 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.357 -2.966 3.289 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.695 -3.900 1.025 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.363 -2.167 2.637 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.982 -2.674 1.537 1.00 0.00 C ATOM 358 OH TYR A 25 -4.932 -1.920 0.922 1.00 0.00 O ATOM 0 H TYR A 25 -1.614 -4.835 6.266 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.210 -6.760 4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.247 -4.402 3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.437 -5.640 2.733 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.442 -5.676 1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.850 -2.587 4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.210 -4.267 0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.620 -1.188 3.013 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.205 -1.190 1.516 1.00 0.00 H new ATOM 368 N SER A 26 0.292 -7.595 4.371 1.00 0.00 N ATOM 369 CA SER A 26 1.419 -8.380 4.845 1.00 0.00 C ATOM 370 C SER A 26 2.731 -7.741 4.386 1.00 0.00 C ATOM 371 O SER A 26 2.791 -7.138 3.315 1.00 0.00 O ATOM 372 CB SER A 26 1.330 -9.825 4.352 1.00 0.00 C ATOM 373 OG SER A 26 2.050 -10.722 5.193 1.00 0.00 O ATOM 0 H SER A 26 0.065 -7.727 3.385 1.00 0.00 H new ATOM 0 HA SER A 26 1.392 -8.395 5.935 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.284 -10.129 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.722 -9.886 3.337 1.00 0.00 H new ATOM 0 HG SER A 26 1.967 -11.634 4.845 1.00 0.00 H new ATOM 379 N ARG A 27 3.750 -7.895 5.219 1.00 0.00 N ATOM 380 CA ARG A 27 5.058 -7.341 4.911 1.00 0.00 C ATOM 381 C ARG A 27 5.750 -8.180 3.836 1.00 0.00 C ATOM 382 O ARG A 27 6.862 -7.863 3.416 1.00 0.00 O ATOM 383 CB ARG A 27 5.943 -7.293 6.159 1.00 0.00 C ATOM 384 CG ARG A 27 5.426 -6.255 7.157 1.00 0.00 C ATOM 385 CD ARG A 27 6.567 -5.706 8.016 1.00 0.00 C ATOM 386 NE ARG A 27 6.728 -4.255 7.775 1.00 0.00 N ATOM 387 CZ ARG A 27 7.711 -3.510 8.301 1.00 0.00 C ATOM 388 NH1 ARG A 27 8.625 -4.076 9.101 1.00 0.00 N ATOM 389 NH2 ARG A 27 7.779 -2.200 8.028 1.00 0.00 N ATOM 0 H ARG A 27 3.697 -8.395 6.106 1.00 0.00 H new ATOM 0 HA ARG A 27 4.910 -6.325 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.967 -8.276 6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.967 -7.051 5.874 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.944 -5.438 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.668 -6.707 7.797 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.359 -5.887 9.071 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.495 -6.227 7.780 1.00 0.00 H new ATOM 0 HE ARG A 27 6.049 -3.792 7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.573 -5.073 9.310 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.373 -3.510 9.501 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.083 -1.769 7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.527 -1.634 8.428 1.00 0.00 H new ATOM 403 N SER A 28 5.064 -9.235 3.420 1.00 0.00 N ATOM 404 CA SER A 28 5.600 -10.122 2.401 1.00 0.00 C ATOM 405 C SER A 28 4.966 -9.804 1.045 1.00 0.00 C ATOM 406 O SER A 28 5.379 -10.345 0.021 1.00 0.00 O ATOM 407 CB SER A 28 5.362 -11.588 2.767 1.00 0.00 C ATOM 408 OG SER A 28 6.583 -12.311 2.896 1.00 0.00 O ATOM 0 H SER A 28 4.142 -9.495 3.770 1.00 0.00 H new ATOM 0 HA SER A 28 6.676 -9.961 2.339 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.808 -11.642 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.742 -12.057 2.002 1.00 0.00 H new ATOM 0 HG SER A 28 6.388 -13.242 3.132 1.00 0.00 H new ATOM 414 N LEU A 29 3.973 -8.927 1.083 1.00 0.00 N ATOM 415 CA LEU A 29 3.279 -8.531 -0.131 1.00 0.00 C ATOM 416 C LEU A 29 4.235 -7.738 -1.024 1.00 0.00 C ATOM 417 O LEU A 29 4.591 -6.604 -0.706 1.00 0.00 O ATOM 418 CB LEU A 29 1.990 -7.780 0.211 1.00 0.00 C ATOM 419 CG LEU A 29 0.708 -8.613 0.210 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.526 -7.722 0.361 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.628 -9.496 -1.038 1.00 0.00 C ATOM 0 H LEU A 29 3.633 -8.480 1.934 1.00 0.00 H new ATOM 0 HA LEU A 29 2.969 -9.409 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.106 -7.330 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.869 -6.963 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 29 0.733 -9.277 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.424 -8.340 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.466 -7.174 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.568 -7.016 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.293 -10.078 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.637 -8.868 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.483 -10.171 -1.061 1.00 0.00 H new ATOM 433 N THR A 30 4.623 -8.366 -2.125 1.00 0.00 N ATOM 434 CA THR A 30 5.531 -7.733 -3.066 1.00 0.00 C ATOM 435 C THR A 30 4.962 -6.392 -3.536 1.00 0.00 C ATOM 436 O THR A 30 3.788 -6.302 -3.890 1.00 0.00 O ATOM 437 CB THR A 30 5.789 -8.717 -4.209 1.00 0.00 C ATOM 438 OG1 THR A 30 4.531 -8.819 -4.870 1.00 0.00 O ATOM 439 CG2 THR A 30 6.062 -10.137 -3.708 1.00 0.00 C ATOM 0 H THR A 30 4.325 -9.306 -2.386 1.00 0.00 H new ATOM 0 HA THR A 30 6.487 -7.499 -2.597 1.00 0.00 H new ATOM 0 HB THR A 30 6.636 -8.371 -4.801 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.664 -8.749 -5.838 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.239 -10.795 -4.559 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.941 -10.133 -3.064 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.201 -10.496 -3.144 1.00 0.00 H new ATOM 447 N ILE A 31 5.822 -5.384 -3.524 1.00 0.00 N ATOM 448 CA ILE A 31 5.421 -4.053 -3.945 1.00 0.00 C ATOM 449 C ILE A 31 4.441 -4.166 -5.115 1.00 0.00 C ATOM 450 O ILE A 31 3.442 -3.450 -5.164 1.00 0.00 O ATOM 451 CB ILE A 31 6.649 -3.195 -4.253 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.506 -2.995 -3.001 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.243 -1.863 -4.888 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.730 -2.238 -1.921 1.00 0.00 C ATOM 0 H ILE A 31 6.795 -5.463 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 31 4.897 -3.541 -3.138 1.00 0.00 H new ATOM 0 HB ILE A 31 7.262 -3.725 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.823 -3.964 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.410 -2.443 -3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.135 -1.273 -5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.707 -2.052 -5.818 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.597 -1.315 -4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.362 -2.109 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.435 -1.260 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.840 -2.805 -1.648 1.00 0.00 H new ATOM 466 N ALA A 32 4.761 -5.071 -6.028 1.00 0.00 N ATOM 467 CA ALA A 32 3.922 -5.287 -7.194 1.00 0.00 C ATOM 468 C ALA A 32 2.539 -5.760 -6.741 1.00 0.00 C ATOM 469 O ALA A 32 1.526 -5.161 -7.099 1.00 0.00 O ATOM 470 CB ALA A 32 4.600 -6.286 -8.134 1.00 0.00 C ATOM 0 H ALA A 32 5.590 -5.663 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 32 3.788 -4.358 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.970 -6.448 -9.009 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.565 -5.891 -8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.748 -7.232 -7.614 1.00 0.00 H new ATOM 476 N GLU A 33 2.541 -6.831 -5.961 1.00 0.00 N ATOM 477 CA GLU A 33 1.299 -7.391 -5.455 1.00 0.00 C ATOM 478 C GLU A 33 0.551 -6.352 -4.617 1.00 0.00 C ATOM 479 O GLU A 33 -0.662 -6.200 -4.749 1.00 0.00 O ATOM 480 CB GLU A 33 1.560 -8.663 -4.647 1.00 0.00 C ATOM 481 CG GLU A 33 1.777 -9.864 -5.570 1.00 0.00 C ATOM 482 CD GLU A 33 0.536 -10.759 -5.607 1.00 0.00 C ATOM 483 OE1 GLU A 33 0.077 -11.138 -4.507 1.00 0.00 O ATOM 484 OE2 GLU A 33 0.075 -11.043 -6.733 1.00 0.00 O ATOM 0 H GLU A 33 3.383 -7.326 -5.667 1.00 0.00 H new ATOM 0 HA GLU A 33 0.673 -7.663 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.437 -8.523 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.716 -8.857 -3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.009 -9.516 -6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.636 -10.441 -5.226 1.00 0.00 H new ATOM 491 N PHE A 34 1.306 -5.665 -3.772 1.00 0.00 N ATOM 492 CA PHE A 34 0.730 -4.646 -2.912 1.00 0.00 C ATOM 493 C PHE A 34 -0.169 -3.699 -3.710 1.00 0.00 C ATOM 494 O PHE A 34 -1.283 -3.392 -3.288 1.00 0.00 O ATOM 495 CB PHE A 34 1.894 -3.847 -2.323 1.00 0.00 C ATOM 496 CG PHE A 34 1.464 -2.737 -1.362 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.194 -2.712 -0.876 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.352 -1.776 -0.992 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.205 -1.682 0.015 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.953 -0.745 -0.101 1.00 0.00 C ATOM 501 CZ PHE A 34 0.683 -0.720 0.385 1.00 0.00 C ATOM 0 H PHE A 34 2.312 -5.794 -3.665 1.00 0.00 H new ATOM 0 HA PHE A 34 0.123 -5.114 -2.137 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.561 -4.530 -1.797 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.468 -3.406 -3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.511 -3.476 -1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.361 -1.797 -1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.214 -1.662 0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.658 0.019 0.191 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.380 0.063 1.064 1.00 0.00 H new ATOM 511 N LYS A 35 0.348 -3.264 -4.850 1.00 0.00 N ATOM 512 CA LYS A 35 -0.394 -2.359 -5.711 1.00 0.00 C ATOM 513 C LYS A 35 -1.681 -3.044 -6.175 1.00 0.00 C ATOM 514 O LYS A 35 -2.765 -2.471 -6.075 1.00 0.00 O ATOM 515 CB LYS A 35 0.489 -1.866 -6.858 1.00 0.00 C ATOM 516 CG LYS A 35 1.787 -1.254 -6.327 1.00 0.00 C ATOM 517 CD LYS A 35 2.933 -1.449 -7.323 1.00 0.00 C ATOM 518 CE LYS A 35 3.684 -0.138 -7.559 1.00 0.00 C ATOM 519 NZ LYS A 35 3.300 0.452 -8.861 1.00 0.00 N ATOM 0 H LYS A 35 1.272 -3.522 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.689 -1.465 -5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.721 -2.696 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.053 -1.125 -7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.641 -0.190 -6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.047 -1.714 -5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.623 -2.204 -6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.538 -1.821 -8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.463 0.564 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.759 -0.319 -7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.819 1.342 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.533 -0.213 -9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.278 0.643 -8.868 1.00 0.00 H new ATOM 533 N CYS A 36 -1.518 -4.261 -6.674 1.00 0.00 N ATOM 534 CA CYS A 36 -2.653 -5.030 -7.154 1.00 0.00 C ATOM 535 C CYS A 36 -3.767 -4.948 -6.109 1.00 0.00 C ATOM 536 O CYS A 36 -4.948 -5.022 -6.447 1.00 0.00 O ATOM 537 CB CYS A 36 -2.266 -6.478 -7.463 1.00 0.00 C ATOM 538 SG CYS A 36 -3.008 -7.000 -9.051 1.00 0.00 S ATOM 0 H CYS A 36 -0.617 -4.733 -6.756 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.008 -4.609 -8.095 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.181 -6.570 -7.512 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.606 -7.133 -6.661 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.324 -5.949 -9.748 1.00 0.00 H new ATOM 544 N LYS A 37 -3.352 -4.796 -4.860 1.00 0.00 N ATOM 545 CA LYS A 37 -4.300 -4.703 -3.762 1.00 0.00 C ATOM 546 C LYS A 37 -4.914 -3.302 -3.742 1.00 0.00 C ATOM 547 O LYS A 37 -6.135 -3.157 -3.704 1.00 0.00 O ATOM 548 CB LYS A 37 -3.634 -5.102 -2.444 1.00 0.00 C ATOM 549 CG LYS A 37 -2.948 -6.464 -2.565 1.00 0.00 C ATOM 550 CD LYS A 37 -3.800 -7.566 -1.932 1.00 0.00 C ATOM 551 CE LYS A 37 -3.257 -8.951 -2.288 1.00 0.00 C ATOM 552 NZ LYS A 37 -4.331 -9.966 -2.204 1.00 0.00 N ATOM 0 H LYS A 37 -2.372 -4.735 -4.584 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.119 -5.408 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.902 -4.346 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.381 -5.137 -1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.772 -6.694 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.973 -6.429 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.813 -7.444 -0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.831 -7.476 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.840 -8.937 -3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.445 -9.215 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.945 -10.900 -2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.710 -9.991 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.093 -9.721 -2.868 1.00 0.00 H new ATOM 566 N LEU A 38 -4.040 -2.307 -3.768 1.00 0.00 N ATOM 567 CA LEU A 38 -4.482 -0.923 -3.754 1.00 0.00 C ATOM 568 C LEU A 38 -5.486 -0.700 -4.886 1.00 0.00 C ATOM 569 O LEU A 38 -6.360 0.160 -4.786 1.00 0.00 O ATOM 570 CB LEU A 38 -3.280 0.023 -3.802 1.00 0.00 C ATOM 571 CG LEU A 38 -2.124 -0.311 -2.857 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.053 0.780 -2.894 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.634 -0.566 -1.437 1.00 0.00 C ATOM 0 H LEU A 38 -3.028 -2.432 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.999 -0.698 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.896 0.039 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.627 1.031 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.656 -1.233 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.243 0.518 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.661 0.871 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.491 1.730 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.793 -0.801 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.142 0.325 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.331 -1.404 -1.446 1.00 0.00 H new ATOM 585 N GLU A 39 -5.328 -1.490 -5.938 1.00 0.00 N ATOM 586 CA GLU A 39 -6.210 -1.390 -7.089 1.00 0.00 C ATOM 587 C GLU A 39 -7.670 -1.348 -6.635 1.00 0.00 C ATOM 588 O GLU A 39 -8.507 -0.721 -7.283 1.00 0.00 O ATOM 589 CB GLU A 39 -5.971 -2.544 -8.065 1.00 0.00 C ATOM 590 CG GLU A 39 -4.579 -2.450 -8.694 1.00 0.00 C ATOM 591 CD GLU A 39 -4.488 -3.314 -9.954 1.00 0.00 C ATOM 592 OE1 GLU A 39 -5.489 -3.332 -10.703 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.421 -3.937 -10.139 1.00 0.00 O ATOM 0 H GLU A 39 -4.602 -2.202 -6.018 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.987 -0.462 -7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.074 -3.495 -7.542 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.730 -2.526 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.358 -1.412 -8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.828 -2.772 -7.973 1.00 0.00 H new ATOM 600 N LEU A 40 -7.932 -2.025 -5.526 1.00 0.00 N ATOM 601 CA LEU A 40 -9.277 -2.073 -4.979 1.00 0.00 C ATOM 602 C LEU A 40 -9.450 -0.944 -3.961 1.00 0.00 C ATOM 603 O LEU A 40 -10.565 -0.481 -3.726 1.00 0.00 O ATOM 604 CB LEU A 40 -9.575 -3.462 -4.412 1.00 0.00 C ATOM 605 CG LEU A 40 -9.884 -3.524 -2.915 1.00 0.00 C ATOM 606 CD1 LEU A 40 -11.303 -3.031 -2.626 1.00 0.00 C ATOM 607 CD2 LEU A 40 -9.643 -4.931 -2.363 1.00 0.00 C ATOM 0 H LEU A 40 -7.235 -2.545 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.014 -1.909 -5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.423 -3.880 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.719 -4.106 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.199 -2.853 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.496 -3.086 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.405 -1.999 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.021 -3.657 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.870 -4.947 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.287 -5.641 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.600 -5.208 -2.516 1.00 0.00 H new ATOM 619 N VAL A 41 -8.330 -0.533 -3.385 1.00 0.00 N ATOM 620 CA VAL A 41 -8.343 0.533 -2.398 1.00 0.00 C ATOM 621 C VAL A 41 -8.640 1.863 -3.094 1.00 0.00 C ATOM 622 O VAL A 41 -9.411 2.675 -2.585 1.00 0.00 O ATOM 623 CB VAL A 41 -7.024 0.546 -1.623 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.049 1.600 -0.515 1.00 0.00 C ATOM 625 CG2 VAL A 41 -6.709 -0.839 -1.055 1.00 0.00 C ATOM 0 H VAL A 41 -7.407 -0.919 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.133 0.365 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.229 0.812 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.099 1.588 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.206 2.585 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.860 1.379 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.766 -0.802 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.508 -1.146 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.628 -1.557 -1.871 1.00 0.00 H new ATOM 635 N VAL A 42 -8.013 2.044 -4.247 1.00 0.00 N ATOM 636 CA VAL A 42 -8.201 3.261 -5.018 1.00 0.00 C ATOM 637 C VAL A 42 -9.137 2.975 -6.194 1.00 0.00 C ATOM 638 O VAL A 42 -9.561 3.895 -6.892 1.00 0.00 O ATOM 639 CB VAL A 42 -6.844 3.817 -5.456 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.227 4.684 -4.356 1.00 0.00 C ATOM 641 CG2 VAL A 42 -5.895 2.690 -5.863 1.00 0.00 C ATOM 0 H VAL A 42 -7.374 1.368 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.672 4.031 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.006 4.449 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.263 5.067 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.892 5.519 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.086 4.085 -3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.938 3.113 -6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.741 2.020 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.328 2.132 -6.693 1.00 0.00 H new ATOM 651 N GLY A 43 -9.433 1.697 -6.377 1.00 0.00 N ATOM 652 CA GLY A 43 -10.311 1.279 -7.456 1.00 0.00 C ATOM 653 C GLY A 43 -9.716 1.640 -8.818 1.00 0.00 C ATOM 654 O GLY A 43 -10.438 1.732 -9.810 1.00 0.00 O ATOM 0 H GLY A 43 -9.080 0.937 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.474 0.203 -7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.285 1.756 -7.343 1.00 0.00 H new ATOM 658 N SER A 44 -8.405 1.833 -8.823 1.00 0.00 N ATOM 659 CA SER A 44 -7.705 2.182 -10.048 1.00 0.00 C ATOM 660 C SER A 44 -6.677 1.100 -10.388 1.00 0.00 C ATOM 661 O SER A 44 -6.396 0.227 -9.570 1.00 0.00 O ATOM 662 CB SER A 44 -7.020 3.544 -9.922 1.00 0.00 C ATOM 663 OG SER A 44 -7.587 4.332 -8.879 1.00 0.00 O ATOM 0 H SER A 44 -7.809 1.754 -7.999 1.00 0.00 H new ATOM 0 HA SER A 44 -8.436 2.247 -10.854 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.957 3.399 -9.730 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.103 4.080 -10.867 1.00 0.00 H new ATOM 0 HG SER A 44 -7.122 5.193 -8.830 1.00 0.00 H new ATOM 669 N PRO A 45 -6.131 1.198 -11.630 1.00 0.00 N ATOM 670 CA PRO A 45 -5.140 0.239 -12.089 1.00 0.00 C ATOM 671 C PRO A 45 -3.782 0.497 -11.433 1.00 0.00 C ATOM 672 O PRO A 45 -3.345 1.642 -11.332 1.00 0.00 O ATOM 673 CB PRO A 45 -5.110 0.397 -13.600 1.00 0.00 C ATOM 674 CG PRO A 45 -5.737 1.751 -13.890 1.00 0.00 C ATOM 675 CD PRO A 45 -6.440 2.219 -12.626 1.00 0.00 C ATOM 0 HA PRO A 45 -5.388 -0.786 -11.814 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.088 0.351 -13.977 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.666 -0.404 -14.088 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.974 2.469 -14.190 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.445 1.675 -14.715 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.080 3.199 -12.313 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.515 2.308 -12.781 1.00 0.00 H new ATOM 683 N ALA A 46 -3.152 -0.587 -11.005 1.00 0.00 N ATOM 684 CA ALA A 46 -1.853 -0.493 -10.362 1.00 0.00 C ATOM 685 C ALA A 46 -0.795 -0.134 -11.408 1.00 0.00 C ATOM 686 O ALA A 46 0.363 0.101 -11.069 1.00 0.00 O ATOM 687 CB ALA A 46 -1.541 -1.808 -9.645 1.00 0.00 C ATOM 0 H ALA A 46 -3.517 -1.535 -11.091 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.854 0.296 -9.610 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.566 -1.737 -9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.305 -2.002 -8.892 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.529 -2.623 -10.369 1.00 0.00 H new ATOM 693 N SER A 47 -1.233 -0.104 -12.658 1.00 0.00 N ATOM 694 CA SER A 47 -0.339 0.222 -13.756 1.00 0.00 C ATOM 695 C SER A 47 -0.450 1.709 -14.098 1.00 0.00 C ATOM 696 O SER A 47 0.160 2.176 -15.059 1.00 0.00 O ATOM 697 CB SER A 47 -0.646 -0.631 -14.989 1.00 0.00 C ATOM 698 OG SER A 47 0.540 -1.125 -15.605 1.00 0.00 O ATOM 0 H SER A 47 -2.195 -0.300 -12.935 1.00 0.00 H new ATOM 0 HA SER A 47 0.682 0.003 -13.442 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.281 -1.469 -14.701 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.209 -0.037 -15.710 1.00 0.00 H new ATOM 0 HG SER A 47 0.302 -1.666 -16.387 1.00 0.00 H new ATOM 704 N CYS A 48 -1.234 2.411 -13.294 1.00 0.00 N ATOM 705 CA CYS A 48 -1.434 3.836 -13.499 1.00 0.00 C ATOM 706 C CYS A 48 -1.550 4.507 -12.129 1.00 0.00 C ATOM 707 O CYS A 48 -2.280 5.485 -11.973 1.00 0.00 O ATOM 708 CB CYS A 48 -2.655 4.115 -14.377 1.00 0.00 C ATOM 709 SG CYS A 48 -2.516 3.196 -15.954 1.00 0.00 S ATOM 0 H CYS A 48 -1.739 2.020 -12.499 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.581 4.252 -14.035 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.564 3.820 -13.854 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.734 5.184 -14.575 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.316 2.709 -16.068 1.00 0.00 H new ATOM 715 N MET A 49 -0.820 3.956 -11.172 1.00 0.00 N ATOM 716 CA MET A 49 -0.832 4.489 -9.820 1.00 0.00 C ATOM 717 C MET A 49 0.522 4.284 -9.138 1.00 0.00 C ATOM 718 O MET A 49 1.061 3.178 -9.139 1.00 0.00 O ATOM 719 CB MET A 49 -1.924 3.793 -9.006 1.00 0.00 C ATOM 720 CG MET A 49 -1.318 2.946 -7.886 1.00 0.00 C ATOM 721 SD MET A 49 -2.604 2.372 -6.789 1.00 0.00 S ATOM 722 CE MET A 49 -3.440 1.221 -7.868 1.00 0.00 C ATOM 0 H MET A 49 -0.216 3.145 -11.305 1.00 0.00 H new ATOM 0 HA MET A 49 -1.033 5.559 -9.873 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.596 4.538 -8.580 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.523 3.161 -9.661 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.784 2.096 -8.310 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.589 3.534 -7.328 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.454 1.052 -7.505 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.480 1.631 -8.877 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.898 0.276 -7.882 1.00 0.00 H new ATOM 732 N GLU A 50 1.033 5.367 -8.571 1.00 0.00 N ATOM 733 CA GLU A 50 2.314 5.320 -7.886 1.00 0.00 C ATOM 734 C GLU A 50 2.105 5.144 -6.381 1.00 0.00 C ATOM 735 O GLU A 50 1.030 5.439 -5.861 1.00 0.00 O ATOM 736 CB GLU A 50 3.140 6.574 -8.182 1.00 0.00 C ATOM 737 CG GLU A 50 4.635 6.251 -8.209 1.00 0.00 C ATOM 738 CD GLU A 50 4.990 5.395 -9.426 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.638 5.827 -10.545 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.605 4.329 -9.211 1.00 0.00 O ATOM 0 H GLU A 50 0.583 6.282 -8.572 1.00 0.00 H new ATOM 0 HA GLU A 50 2.872 4.461 -8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.838 6.995 -9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.942 7.332 -7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.210 7.177 -8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.913 5.724 -7.296 1.00 0.00 H new ATOM 747 N LEU A 51 3.150 4.664 -5.723 1.00 0.00 N ATOM 748 CA LEU A 51 3.094 4.444 -4.288 1.00 0.00 C ATOM 749 C LEU A 51 4.089 5.378 -3.595 1.00 0.00 C ATOM 750 O LEU A 51 5.186 5.609 -4.101 1.00 0.00 O ATOM 751 CB LEU A 51 3.311 2.965 -3.963 1.00 0.00 C ATOM 752 CG LEU A 51 2.325 1.986 -4.603 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.507 0.576 -4.039 1.00 0.00 C ATOM 754 CD2 LEU A 51 0.885 2.482 -4.453 1.00 0.00 C ATOM 0 H LEU A 51 4.040 4.421 -6.157 1.00 0.00 H new ATOM 0 HA LEU A 51 2.104 4.689 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.319 2.689 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.265 2.841 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 51 2.539 1.935 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.794 -0.100 -4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.521 0.232 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.336 0.590 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.204 1.768 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.642 2.581 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.781 3.451 -4.941 1.00 0.00 H new ATOM 766 N GLU A 52 3.670 5.890 -2.447 1.00 0.00 N ATOM 767 CA GLU A 52 4.510 6.793 -1.679 1.00 0.00 C ATOM 768 C GLU A 52 4.528 6.379 -0.206 1.00 0.00 C ATOM 769 O GLU A 52 3.544 5.846 0.304 1.00 0.00 O ATOM 770 CB GLU A 52 4.044 8.242 -1.835 1.00 0.00 C ATOM 771 CG GLU A 52 4.123 8.689 -3.297 1.00 0.00 C ATOM 772 CD GLU A 52 4.627 10.129 -3.403 1.00 0.00 C ATOM 773 OE1 GLU A 52 4.392 10.886 -2.436 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.237 10.441 -4.449 1.00 0.00 O ATOM 0 H GLU A 52 2.759 5.696 -2.030 1.00 0.00 H new ATOM 0 HA GLU A 52 5.527 6.729 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.019 8.339 -1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.661 8.895 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.789 8.025 -3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.139 8.609 -3.759 1.00 0.00 H new ATOM 781 N LEU A 53 5.657 6.640 0.435 1.00 0.00 N ATOM 782 CA LEU A 53 5.816 6.301 1.839 1.00 0.00 C ATOM 783 C LEU A 53 6.080 7.577 2.641 1.00 0.00 C ATOM 784 O LEU A 53 7.162 8.156 2.556 1.00 0.00 O ATOM 785 CB LEU A 53 6.896 5.231 2.014 1.00 0.00 C ATOM 786 CG LEU A 53 7.434 5.047 3.434 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.377 4.419 4.344 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.735 4.242 3.427 1.00 0.00 C ATOM 0 H LEU A 53 6.471 7.082 0.008 1.00 0.00 H new ATOM 0 HA LEU A 53 4.898 5.862 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.493 4.277 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.732 5.476 1.359 1.00 0.00 H new ATOM 0 HG LEU A 53 7.666 6.031 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.786 4.299 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.501 5.066 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.091 3.444 3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.096 4.126 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.552 3.259 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.485 4.767 2.835 1.00 0.00 H new ATOM 800 N TYR A 54 5.072 7.979 3.401 1.00 0.00 N ATOM 801 CA TYR A 54 5.181 9.177 4.217 1.00 0.00 C ATOM 802 C TYR A 54 5.458 8.820 5.680 1.00 0.00 C ATOM 803 O TYR A 54 5.112 7.730 6.133 1.00 0.00 O ATOM 804 CB TYR A 54 3.824 9.876 4.124 1.00 0.00 C ATOM 805 CG TYR A 54 3.600 10.627 2.809 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.498 9.927 1.624 1.00 0.00 C ATOM 807 CD2 TYR A 54 3.500 12.003 2.809 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.287 10.634 0.387 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.289 12.709 1.572 1.00 0.00 C ATOM 810 CZ TYR A 54 3.194 11.990 0.422 1.00 0.00 C ATOM 811 OH TYR A 54 2.995 12.657 -0.746 1.00 0.00 O ATOM 0 H TYR A 54 4.176 7.497 3.469 1.00 0.00 H new ATOM 0 HA TYR A 54 6.000 9.806 3.868 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.035 9.134 4.246 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.731 10.578 4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.576 8.850 1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.580 12.550 3.737 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.204 10.099 -0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.208 13.786 1.558 1.00 0.00 H new ATOM 0 HH TYR A 54 3.431 12.172 -1.478 1.00 0.00 H new ATOM 821 N GLY A 55 6.079 9.760 6.377 1.00 0.00 N ATOM 822 CA GLY A 55 6.406 9.558 7.778 1.00 0.00 C ATOM 823 C GLY A 55 5.145 9.292 8.603 1.00 0.00 C ATOM 824 O GLY A 55 4.425 8.327 8.349 1.00 0.00 O ATOM 0 H GLY A 55 6.364 10.663 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.094 8.718 7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.920 10.438 8.166 1.00 0.00 H new ATOM 828 N ALA A 56 4.916 10.163 9.574 1.00 0.00 N ATOM 829 CA ALA A 56 3.755 10.034 10.437 1.00 0.00 C ATOM 830 C ALA A 56 2.731 11.110 10.072 1.00 0.00 C ATOM 831 O ALA A 56 1.669 10.804 9.531 1.00 0.00 O ATOM 832 CB ALA A 56 4.194 10.120 11.900 1.00 0.00 C ATOM 0 H ALA A 56 5.515 10.962 9.782 1.00 0.00 H new ATOM 0 HA ALA A 56 3.278 9.064 10.296 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.323 10.023 12.548 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.898 9.317 12.116 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.675 11.082 12.080 1.00 0.00 H new ATOM 838 N ASP A 57 3.085 12.349 10.381 1.00 0.00 N ATOM 839 CA ASP A 57 2.210 13.472 10.092 1.00 0.00 C ATOM 840 C ASP A 57 2.025 13.592 8.578 1.00 0.00 C ATOM 841 O ASP A 57 0.902 13.735 8.096 1.00 0.00 O ATOM 842 CB ASP A 57 2.811 14.784 10.600 1.00 0.00 C ATOM 843 CG ASP A 57 3.512 14.691 11.957 1.00 0.00 C ATOM 844 OD1 ASP A 57 2.801 14.408 12.945 1.00 0.00 O ATOM 845 OD2 ASP A 57 4.744 14.906 11.975 1.00 0.00 O ATOM 0 H ASP A 57 3.966 12.600 10.829 1.00 0.00 H new ATOM 0 HA ASP A 57 1.258 13.294 10.592 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.526 15.148 9.863 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.017 15.528 10.668 1.00 0.00 H new ATOM 850 N ASP A 58 3.143 13.530 7.871 1.00 0.00 N ATOM 851 CA ASP A 58 3.118 13.629 6.421 1.00 0.00 C ATOM 852 C ASP A 58 4.502 14.046 5.919 1.00 0.00 C ATOM 853 O ASP A 58 4.694 15.182 5.488 1.00 0.00 O ATOM 854 CB ASP A 58 2.111 14.684 5.959 1.00 0.00 C ATOM 855 CG ASP A 58 2.329 15.208 4.538 1.00 0.00 C ATOM 856 OD1 ASP A 58 2.157 14.397 3.602 1.00 0.00 O ATOM 857 OD2 ASP A 58 2.662 16.406 4.420 1.00 0.00 O ATOM 0 H ASP A 58 4.072 13.412 8.275 1.00 0.00 H new ATOM 0 HA ASP A 58 2.831 12.656 6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.109 14.261 6.024 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.147 15.526 6.650 1.00 0.00 H new ATOM 862 N LYS A 59 5.431 13.103 5.991 1.00 0.00 N ATOM 863 CA LYS A 59 6.791 13.358 5.549 1.00 0.00 C ATOM 864 C LYS A 59 7.208 12.278 4.548 1.00 0.00 C ATOM 865 O LYS A 59 7.662 11.205 4.941 1.00 0.00 O ATOM 866 CB LYS A 59 7.731 13.479 6.750 1.00 0.00 C ATOM 867 CG LYS A 59 8.002 14.946 7.088 1.00 0.00 C ATOM 868 CD LYS A 59 8.056 15.159 8.603 1.00 0.00 C ATOM 869 CE LYS A 59 8.141 16.648 8.944 1.00 0.00 C ATOM 870 NZ LYS A 59 8.875 16.847 10.214 1.00 0.00 N ATOM 0 H LYS A 59 5.268 12.162 6.349 1.00 0.00 H new ATOM 0 HA LYS A 59 6.850 14.315 5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.291 12.979 7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.671 12.972 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.945 15.258 6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.221 15.573 6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.170 14.726 9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.919 14.638 9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.644 17.184 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.138 17.066 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.924 17.863 10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.379 16.352 10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.838 16.466 10.122 1.00 0.00 H new ATOM 884 N PHE A 60 7.039 12.600 3.274 1.00 0.00 N ATOM 885 CA PHE A 60 7.392 11.671 2.214 1.00 0.00 C ATOM 886 C PHE A 60 8.839 11.196 2.361 1.00 0.00 C ATOM 887 O PHE A 60 9.727 11.987 2.678 1.00 0.00 O ATOM 888 CB PHE A 60 7.248 12.426 0.891 1.00 0.00 C ATOM 889 CG PHE A 60 7.902 11.724 -0.300 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.694 10.396 -0.504 1.00 0.00 C ATOM 891 CD2 PHE A 60 8.690 12.429 -1.156 1.00 0.00 C ATOM 892 CE1 PHE A 60 8.301 9.744 -1.611 1.00 0.00 C ATOM 893 CE2 PHE A 60 9.297 11.777 -2.262 1.00 0.00 C ATOM 894 CZ PHE A 60 9.090 10.448 -2.466 1.00 0.00 C ATOM 0 H PHE A 60 6.662 13.491 2.952 1.00 0.00 H new ATOM 0 HA PHE A 60 6.744 10.796 2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.188 12.568 0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.687 13.418 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.068 9.837 0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.854 13.484 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.136 8.689 -1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.923 12.336 -2.941 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.552 9.952 -3.307 1.00 0.00 H new ATOM 904 N TYR A 61 9.032 9.907 2.124 1.00 0.00 N ATOM 905 CA TYR A 61 10.356 9.317 2.226 1.00 0.00 C ATOM 906 C TYR A 61 10.844 8.826 0.862 1.00 0.00 C ATOM 907 O TYR A 61 11.656 9.487 0.215 1.00 0.00 O ATOM 908 CB TYR A 61 10.212 8.117 3.165 1.00 0.00 C ATOM 909 CG TYR A 61 10.337 8.469 4.649 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.299 9.789 5.050 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.487 7.467 5.585 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.416 10.120 6.447 1.00 0.00 C ATOM 913 CE2 TYR A 61 10.605 7.798 6.982 1.00 0.00 C ATOM 914 CZ TYR A 61 10.563 9.108 7.343 1.00 0.00 C ATOM 915 OH TYR A 61 10.674 9.421 8.662 1.00 0.00 O ATOM 0 H TYR A 61 8.293 9.254 1.862 1.00 0.00 H new ATOM 0 HA TYR A 61 11.075 10.050 2.591 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.243 7.649 2.994 1.00 0.00 H new ATOM 0 HB3 TYR A 61 10.972 7.378 2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.182 10.573 4.317 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.516 6.434 5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.388 11.149 6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.724 7.024 7.725 1.00 0.00 H new ATOM 0 HH TYR A 61 10.772 8.599 9.186 1.00 0.00 H new ATOM 925 N SER A 62 10.329 7.672 0.465 1.00 0.00 N ATOM 926 CA SER A 62 10.703 7.086 -0.811 1.00 0.00 C ATOM 927 C SER A 62 9.459 6.559 -1.529 1.00 0.00 C ATOM 928 O SER A 62 8.375 6.515 -0.949 1.00 0.00 O ATOM 929 CB SER A 62 11.723 5.961 -0.623 1.00 0.00 C ATOM 930 OG SER A 62 13.060 6.418 -0.805 1.00 0.00 O ATOM 0 H SER A 62 9.656 7.127 1.004 1.00 0.00 H new ATOM 0 HA SER A 62 11.166 7.862 -1.421 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.617 5.539 0.376 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.514 5.160 -1.332 1.00 0.00 H new ATOM 0 HG SER A 62 13.681 5.671 -0.675 1.00 0.00 H new ATOM 936 N LYS A 63 9.656 6.171 -2.781 1.00 0.00 N ATOM 937 CA LYS A 63 8.564 5.649 -3.584 1.00 0.00 C ATOM 938 C LYS A 63 8.756 4.145 -3.782 1.00 0.00 C ATOM 939 O LYS A 63 9.851 3.695 -4.119 1.00 0.00 O ATOM 940 CB LYS A 63 8.439 6.432 -4.893 1.00 0.00 C ATOM 941 CG LYS A 63 8.149 7.910 -4.623 1.00 0.00 C ATOM 942 CD LYS A 63 7.166 8.472 -5.651 1.00 0.00 C ATOM 943 CE LYS A 63 7.528 9.911 -6.025 1.00 0.00 C ATOM 944 NZ LYS A 63 6.732 10.359 -7.190 1.00 0.00 N ATOM 0 H LYS A 63 10.556 6.208 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 63 7.613 5.784 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.361 6.338 -5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.641 6.006 -5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.738 8.026 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.079 8.478 -4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.172 7.848 -6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.154 8.441 -5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.345 10.571 -5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.591 9.977 -6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.990 11.337 -7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.927 9.740 -8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.720 10.315 -6.956 1.00 0.00 H new ATOM 958 N LEU A 64 7.677 3.408 -3.566 1.00 0.00 N ATOM 959 CA LEU A 64 7.713 1.963 -3.717 1.00 0.00 C ATOM 960 C LEU A 64 7.679 1.610 -5.205 1.00 0.00 C ATOM 961 O LEU A 64 6.796 0.880 -5.654 1.00 0.00 O ATOM 962 CB LEU A 64 6.593 1.311 -2.904 1.00 0.00 C ATOM 963 CG LEU A 64 6.693 1.459 -1.385 1.00 0.00 C ATOM 964 CD1 LEU A 64 8.096 1.907 -0.969 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.610 2.399 -0.853 1.00 0.00 C ATOM 0 H LEU A 64 6.771 3.785 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 64 8.643 1.561 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.642 1.734 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.568 0.248 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 64 6.520 0.482 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.140 2.005 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.826 1.167 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.322 2.869 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.704 2.487 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.726 3.383 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.627 1.999 -1.101 1.00 0.00 H new ATOM 977 N ASP A 65 8.652 2.143 -5.930 1.00 0.00 N ATOM 978 CA ASP A 65 8.744 1.893 -7.358 1.00 0.00 C ATOM 979 C ASP A 65 9.063 0.415 -7.593 1.00 0.00 C ATOM 980 O ASP A 65 8.365 -0.261 -8.347 1.00 0.00 O ATOM 981 CB ASP A 65 9.862 2.724 -7.992 1.00 0.00 C ATOM 982 CG ASP A 65 10.239 2.320 -9.418 1.00 0.00 C ATOM 983 OD1 ASP A 65 11.041 1.369 -9.545 1.00 0.00 O ATOM 984 OD2 ASP A 65 9.718 2.971 -10.349 1.00 0.00 O ATOM 0 H ASP A 65 9.383 2.747 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 65 7.791 2.166 -7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.559 3.771 -7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.749 2.651 -7.363 1.00 0.00 H new ATOM 989 N GLN A 66 10.117 -0.042 -6.933 1.00 0.00 N ATOM 990 CA GLN A 66 10.536 -1.428 -7.061 1.00 0.00 C ATOM 991 C GLN A 66 9.357 -2.366 -6.793 1.00 0.00 C ATOM 992 O GLN A 66 8.735 -2.300 -5.733 1.00 0.00 O ATOM 993 CB GLN A 66 11.705 -1.735 -6.124 1.00 0.00 C ATOM 994 CG GLN A 66 12.918 -2.240 -6.908 1.00 0.00 C ATOM 995 CD GLN A 66 13.840 -1.083 -7.298 1.00 0.00 C ATOM 996 OE1 GLN A 66 13.416 0.046 -7.484 1.00 0.00 O ATOM 997 NE2 GLN A 66 15.120 -1.425 -7.411 1.00 0.00 N ATOM 0 H GLN A 66 10.693 0.522 -6.308 1.00 0.00 H new ATOM 0 HA GLN A 66 10.879 -1.591 -8.083 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.975 -0.837 -5.568 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.402 -2.484 -5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.470 -2.962 -6.306 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.584 -2.762 -7.805 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.407 -2.389 -7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.815 -0.723 -7.667 1.00 0.00 H new ATOM 1006 N GLU A 67 9.085 -3.217 -7.771 1.00 0.00 N ATOM 1007 CA GLU A 67 7.992 -4.167 -7.654 1.00 0.00 C ATOM 1008 C GLU A 67 8.484 -5.465 -7.010 1.00 0.00 C ATOM 1009 O GLU A 67 7.756 -6.098 -6.246 1.00 0.00 O ATOM 1010 CB GLU A 67 7.354 -4.439 -9.017 1.00 0.00 C ATOM 1011 CG GLU A 67 8.088 -5.563 -9.752 1.00 0.00 C ATOM 1012 CD GLU A 67 7.889 -5.450 -11.265 1.00 0.00 C ATOM 1013 OE1 GLU A 67 8.309 -4.411 -11.817 1.00 0.00 O ATOM 1014 OE2 GLU A 67 7.320 -6.406 -11.835 1.00 0.00 O ATOM 0 H GLU A 67 9.603 -3.269 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 67 7.226 -3.733 -7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.306 -4.710 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.375 -3.531 -9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.152 -5.522 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.722 -6.529 -9.405 1.00 0.00 H new ATOM 1021 N ASP A 68 9.716 -5.823 -7.341 1.00 0.00 N ATOM 1022 CA ASP A 68 10.313 -7.034 -6.804 1.00 0.00 C ATOM 1023 C ASP A 68 10.528 -6.867 -5.299 1.00 0.00 C ATOM 1024 O ASP A 68 10.756 -7.846 -4.589 1.00 0.00 O ATOM 1025 CB ASP A 68 11.673 -7.309 -7.448 1.00 0.00 C ATOM 1026 CG ASP A 68 11.805 -8.677 -8.122 1.00 0.00 C ATOM 1027 OD1 ASP A 68 11.639 -9.683 -7.399 1.00 0.00 O ATOM 1028 OD2 ASP A 68 12.068 -8.685 -9.343 1.00 0.00 O ATOM 0 H ASP A 68 10.317 -5.296 -7.974 1.00 0.00 H new ATOM 0 HA ASP A 68 9.639 -7.865 -7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.870 -6.535 -8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.445 -7.222 -6.683 1.00 0.00 H new ATOM 1033 N ALA A 69 10.448 -5.621 -4.856 1.00 0.00 N ATOM 1034 CA ALA A 69 10.631 -5.314 -3.448 1.00 0.00 C ATOM 1035 C ALA A 69 9.435 -5.845 -2.655 1.00 0.00 C ATOM 1036 O ALA A 69 8.464 -6.326 -3.237 1.00 0.00 O ATOM 1037 CB ALA A 69 10.822 -3.806 -3.275 1.00 0.00 C ATOM 0 H ALA A 69 10.259 -4.812 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 69 11.526 -5.802 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.959 -3.575 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.701 -3.484 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.942 -3.283 -3.649 1.00 0.00 H new ATOM 1043 N LEU A 70 9.544 -5.740 -1.338 1.00 0.00 N ATOM 1044 CA LEU A 70 8.484 -6.203 -0.460 1.00 0.00 C ATOM 1045 C LEU A 70 8.240 -5.160 0.633 1.00 0.00 C ATOM 1046 O LEU A 70 9.095 -4.313 0.889 1.00 0.00 O ATOM 1047 CB LEU A 70 8.808 -7.597 0.082 1.00 0.00 C ATOM 1048 CG LEU A 70 9.457 -8.567 -0.908 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.445 -9.495 -0.198 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.395 -9.347 -1.686 1.00 0.00 C ATOM 0 H LEU A 70 10.351 -5.341 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 70 7.551 -6.310 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.471 -7.487 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.885 -8.046 0.448 1.00 0.00 H new ATOM 0 HG LEU A 70 10.026 -7.986 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.892 -10.174 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.228 -8.901 0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.920 -10.072 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.882 -10.029 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.780 -9.917 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.766 -8.651 -2.240 1.00 0.00 H new ATOM 1062 N LEU A 71 7.070 -5.256 1.247 1.00 0.00 N ATOM 1063 CA LEU A 71 6.703 -4.331 2.306 1.00 0.00 C ATOM 1064 C LEU A 71 7.467 -4.693 3.581 1.00 0.00 C ATOM 1065 O LEU A 71 7.135 -5.670 4.251 1.00 0.00 O ATOM 1066 CB LEU A 71 5.184 -4.299 2.487 1.00 0.00 C ATOM 1067 CG LEU A 71 4.488 -2.999 2.081 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.969 -3.126 2.213 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.034 -1.812 2.877 1.00 0.00 C ATOM 0 H LEU A 71 6.364 -5.960 1.032 1.00 0.00 H new ATOM 0 HA LEU A 71 6.990 -3.314 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.752 -5.115 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.959 -4.497 3.535 1.00 0.00 H new ATOM 0 HG LEU A 71 4.706 -2.810 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.498 -2.188 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.614 -3.929 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.711 -3.352 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.522 -0.901 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.867 -1.980 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.103 -1.709 2.689 1.00 0.00 H new ATOM 1081 N GLY A 72 8.476 -3.887 3.878 1.00 0.00 N ATOM 1082 CA GLY A 72 9.290 -4.111 5.061 1.00 0.00 C ATOM 1083 C GLY A 72 10.732 -3.657 4.828 1.00 0.00 C ATOM 1084 O GLY A 72 11.328 -3.005 5.684 1.00 0.00 O ATOM 0 H GLY A 72 8.748 -3.078 3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.866 -3.569 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.276 -5.169 5.322 1.00 0.00 H new ATOM 1088 N SER A 73 11.253 -4.021 3.665 1.00 0.00 N ATOM 1089 CA SER A 73 12.614 -3.659 3.308 1.00 0.00 C ATOM 1090 C SER A 73 12.740 -2.138 3.198 1.00 0.00 C ATOM 1091 O SER A 73 13.847 -1.602 3.192 1.00 0.00 O ATOM 1092 CB SER A 73 13.035 -4.324 1.996 1.00 0.00 C ATOM 1093 OG SER A 73 14.245 -5.062 2.135 1.00 0.00 O ATOM 0 H SER A 73 10.757 -4.563 2.958 1.00 0.00 H new ATOM 0 HA SER A 73 13.280 -4.016 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 73 12.242 -4.990 1.656 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.162 -3.561 1.228 1.00 0.00 H new ATOM 0 HG SER A 73 14.478 -5.472 1.276 1.00 0.00 H new ATOM 1099 N TYR A 74 11.590 -1.486 3.113 1.00 0.00 N ATOM 1100 CA TYR A 74 11.557 -0.038 3.003 1.00 0.00 C ATOM 1101 C TYR A 74 11.398 0.613 4.378 1.00 0.00 C ATOM 1102 O TYR A 74 11.105 -0.067 5.360 1.00 0.00 O ATOM 1103 CB TYR A 74 10.330 0.293 2.150 1.00 0.00 C ATOM 1104 CG TYR A 74 10.590 0.251 0.643 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.357 1.232 0.047 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.058 -0.768 -0.121 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.601 1.192 -1.371 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.303 -0.808 -1.540 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.063 0.175 -2.095 1.00 0.00 C ATOM 1110 OH TYR A 74 11.294 0.137 -3.434 1.00 0.00 O ATOM 0 H TYR A 74 10.674 -1.934 3.118 1.00 0.00 H new ATOM 0 HA TYR A 74 12.483 0.334 2.565 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.533 -0.410 2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.971 1.286 2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.774 2.029 0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.458 -1.535 0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.199 1.954 -1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.893 -1.600 -2.149 1.00 0.00 H new ATOM 0 HH TYR A 74 12.163 0.546 -3.628 1.00 0.00 H new ATOM 1120 N PRO A 75 11.603 1.957 4.405 1.00 0.00 N ATOM 1121 CA PRO A 75 11.485 2.708 5.644 1.00 0.00 C ATOM 1122 C PRO A 75 10.018 2.889 6.038 1.00 0.00 C ATOM 1123 O PRO A 75 9.563 4.012 6.251 1.00 0.00 O ATOM 1124 CB PRO A 75 12.195 4.025 5.375 1.00 0.00 C ATOM 1125 CG PRO A 75 12.277 4.153 3.862 1.00 0.00 C ATOM 1126 CD PRO A 75 11.951 2.795 3.261 1.00 0.00 C ATOM 0 HA PRO A 75 11.937 2.194 6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.645 4.861 5.808 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.189 4.031 5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.576 4.907 3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.273 4.475 3.560 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.124 2.863 2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.803 2.388 2.717 1.00 0.00 H new ATOM 1134 N VAL A 76 9.318 1.767 6.122 1.00 0.00 N ATOM 1135 CA VAL A 76 7.912 1.788 6.487 1.00 0.00 C ATOM 1136 C VAL A 76 7.697 0.912 7.722 1.00 0.00 C ATOM 1137 O VAL A 76 8.587 0.161 8.118 1.00 0.00 O ATOM 1138 CB VAL A 76 7.056 1.359 5.293 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.224 -0.135 5.007 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.584 1.711 5.520 1.00 0.00 C ATOM 0 H VAL A 76 9.699 0.838 5.944 1.00 0.00 H new ATOM 0 HA VAL A 76 7.600 2.799 6.748 1.00 0.00 H new ATOM 0 HB VAL A 76 7.402 1.909 4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.605 -0.414 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.269 -0.347 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.917 -0.710 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.997 1.396 4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.221 1.200 6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.484 2.788 5.653 1.00 0.00 H new ATOM 1150 N ASP A 77 6.510 1.038 8.298 1.00 0.00 N ATOM 1151 CA ASP A 77 6.167 0.267 9.481 1.00 0.00 C ATOM 1152 C ASP A 77 4.703 0.524 9.845 1.00 0.00 C ATOM 1153 O ASP A 77 4.101 1.484 9.368 1.00 0.00 O ATOM 1154 CB ASP A 77 7.031 0.677 10.676 1.00 0.00 C ATOM 1155 CG ASP A 77 7.140 -0.371 11.785 1.00 0.00 C ATOM 1156 OD1 ASP A 77 6.613 -1.484 11.568 1.00 0.00 O ATOM 1157 OD2 ASP A 77 7.749 -0.036 12.824 1.00 0.00 O ATOM 0 H ASP A 77 5.774 1.662 7.967 1.00 0.00 H new ATOM 0 HA ASP A 77 6.337 -0.786 9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.034 0.910 10.317 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.624 1.594 11.102 1.00 0.00 H new ATOM 1162 N ASP A 78 4.174 -0.350 10.688 1.00 0.00 N ATOM 1163 CA ASP A 78 2.793 -0.229 11.122 1.00 0.00 C ATOM 1164 C ASP A 78 2.549 1.187 11.647 1.00 0.00 C ATOM 1165 O ASP A 78 3.164 1.604 12.627 1.00 0.00 O ATOM 1166 CB ASP A 78 2.482 -1.212 12.253 1.00 0.00 C ATOM 1167 CG ASP A 78 3.329 -1.034 13.515 1.00 0.00 C ATOM 1168 OD1 ASP A 78 4.565 -1.177 13.394 1.00 0.00 O ATOM 1169 OD2 ASP A 78 2.721 -0.758 14.572 1.00 0.00 O ATOM 0 H ASP A 78 4.677 -1.145 11.082 1.00 0.00 H new ATOM 0 HA ASP A 78 2.152 -0.447 10.268 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.430 -1.112 12.522 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.621 -2.227 11.881 1.00 0.00 H new ATOM 1174 N GLY A 79 1.651 1.888 10.970 1.00 0.00 N ATOM 1175 CA GLY A 79 1.318 3.249 11.356 1.00 0.00 C ATOM 1176 C GLY A 79 1.688 4.238 10.249 1.00 0.00 C ATOM 1177 O GLY A 79 1.108 5.319 10.158 1.00 0.00 O ATOM 0 H GLY A 79 1.144 1.539 10.157 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.252 3.320 11.570 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.846 3.510 12.273 1.00 0.00 H new ATOM 1181 N CYS A 80 2.652 3.833 9.434 1.00 0.00 N ATOM 1182 CA CYS A 80 3.105 4.670 8.337 1.00 0.00 C ATOM 1183 C CYS A 80 1.895 5.024 7.470 1.00 0.00 C ATOM 1184 O CYS A 80 0.759 4.724 7.833 1.00 0.00 O ATOM 1185 CB CYS A 80 4.209 3.990 7.525 1.00 0.00 C ATOM 1186 SG CYS A 80 5.841 4.330 8.280 1.00 0.00 S ATOM 0 H CYS A 80 3.131 2.936 9.512 1.00 0.00 H new ATOM 0 HA CYS A 80 3.546 5.584 8.733 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.034 2.915 7.487 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.192 4.353 6.497 1.00 0.00 H new ATOM 0 HG CYS A 80 6.114 3.409 9.156 1.00 0.00 H new ATOM 1192 N ARG A 81 2.180 5.656 6.342 1.00 0.00 N ATOM 1193 CA ARG A 81 1.129 6.054 5.420 1.00 0.00 C ATOM 1194 C ARG A 81 1.550 5.765 3.978 1.00 0.00 C ATOM 1195 O ARG A 81 2.715 5.934 3.622 1.00 0.00 O ATOM 1196 CB ARG A 81 0.808 7.543 5.561 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.336 7.948 4.629 1.00 0.00 C ATOM 1198 CD ARG A 81 -0.643 9.441 4.754 1.00 0.00 C ATOM 1199 NE ARG A 81 0.055 10.192 3.686 1.00 0.00 N ATOM 1200 CZ ARG A 81 -0.146 11.492 3.427 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -1.025 12.192 4.156 1.00 0.00 N ATOM 1202 NH2 ARG A 81 0.533 12.091 2.439 1.00 0.00 N ATOM 0 H ARG A 81 3.124 5.903 6.045 1.00 0.00 H new ATOM 0 HA ARG A 81 0.237 5.477 5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.536 7.764 6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.695 8.133 5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.071 7.713 3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.228 7.369 4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.718 9.607 4.684 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.328 9.805 5.732 1.00 0.00 H new ATOM 0 HE ARG A 81 0.731 9.689 3.111 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.541 11.736 4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.178 13.181 3.959 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.203 11.558 1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.380 13.080 2.242 1.00 0.00 H new ATOM 1216 N ILE A 82 0.579 5.333 3.187 1.00 0.00 N ATOM 1217 CA ILE A 82 0.834 5.018 1.792 1.00 0.00 C ATOM 1218 C ILE A 82 -0.060 5.888 0.906 1.00 0.00 C ATOM 1219 O ILE A 82 -1.250 5.612 0.758 1.00 0.00 O ATOM 1220 CB ILE A 82 0.674 3.517 1.543 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.661 2.712 2.391 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.801 3.192 0.053 1.00 0.00 C ATOM 1223 CD1 ILE A 82 3.065 2.754 1.787 1.00 0.00 C ATOM 0 H ILE A 82 -0.386 5.194 3.486 1.00 0.00 H new ATOM 0 HA ILE A 82 1.866 5.252 1.531 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.329 3.225 1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.685 3.112 3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.324 1.678 2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.683 2.119 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.028 3.723 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.783 3.503 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.746 2.174 2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.042 2.331 0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.409 3.787 1.738 1.00 0.00 H new ATOM 1235 N HIS A 83 0.547 6.920 0.339 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.180 7.831 -0.529 1.00 0.00 C ATOM 1237 C HIS A 83 -0.107 7.332 -1.973 1.00 0.00 C ATOM 1238 O HIS A 83 0.979 7.215 -2.539 1.00 0.00 O ATOM 1239 CB HIS A 83 0.338 9.262 -0.369 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.471 10.295 -1.118 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.649 10.826 -0.625 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.257 10.888 -2.327 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.116 11.698 -1.506 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.252 11.735 -2.561 1.00 0.00 N ATOM 0 H HIS A 83 1.534 7.146 0.464 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.231 7.852 -0.242 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.345 9.519 0.690 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.371 9.304 -0.714 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.580 10.700 -2.983 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.022 12.278 -1.407 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.354 12.317 -3.392 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.277 7.052 -2.528 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.360 6.568 -3.896 1.00 0.00 C ATOM 1254 C VAL A 84 -1.590 7.752 -4.838 1.00 0.00 C ATOM 1255 O VAL A 84 -2.521 8.533 -4.643 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.445 5.496 -4.007 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.708 5.131 -5.469 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.075 4.255 -3.191 1.00 0.00 C ATOM 0 H VAL A 84 -2.175 7.151 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.424 6.095 -4.191 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.366 5.908 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.484 4.367 -5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.036 6.017 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.792 4.748 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.863 3.508 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.137 3.842 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.961 4.530 -2.142 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.728 7.847 -5.839 1.00 0.00 N ATOM 1269 CA ILE A 85 -0.826 8.922 -6.811 1.00 0.00 C ATOM 1270 C ILE A 85 -1.576 8.420 -8.047 1.00 0.00 C ATOM 1271 O ILE A 85 -1.016 7.689 -8.862 1.00 0.00 O ATOM 1272 CB ILE A 85 0.560 9.492 -7.122 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.271 9.934 -5.842 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.470 10.623 -8.148 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.782 10.034 -6.060 1.00 0.00 C ATOM 0 H ILE A 85 0.042 7.197 -5.998 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.402 9.752 -6.403 1.00 0.00 H new ATOM 0 HB ILE A 85 1.163 8.701 -7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.882 10.900 -5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.062 9.224 -5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.468 11.010 -8.351 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.034 10.243 -9.072 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.156 11.423 -7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.263 10.350 -5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.172 9.061 -6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.989 10.763 -6.844 1.00 0.00 H new ATOM 1287 N ASP A 86 -2.831 8.832 -8.146 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.663 8.432 -9.268 1.00 0.00 C ATOM 1289 C ASP A 86 -2.988 8.856 -10.574 1.00 0.00 C ATOM 1290 O ASP A 86 -2.969 10.039 -10.912 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.035 9.107 -9.204 1.00 0.00 C ATOM 1292 CG ASP A 86 -5.044 10.494 -8.558 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -5.217 10.542 -7.321 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -4.878 11.474 -9.315 1.00 0.00 O ATOM 0 H ASP A 86 -3.292 9.439 -7.468 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.791 7.350 -9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.429 9.192 -10.217 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.716 8.460 -8.650 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.451 7.868 -11.273 1.00 0.00 N ATOM 1300 CA HIS A 87 -1.777 8.123 -12.535 1.00 0.00 C ATOM 1301 C HIS A 87 -2.676 7.691 -13.694 1.00 0.00 C ATOM 1302 O HIS A 87 -2.191 7.396 -14.785 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.405 7.447 -12.565 1.00 0.00 C ATOM 1304 CG HIS A 87 0.747 8.382 -12.285 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.810 9.667 -12.794 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.879 8.206 -11.544 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.933 10.230 -12.373 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.595 9.322 -11.599 1.00 0.00 N ATOM 0 H HIS A 87 -2.469 6.888 -10.990 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.593 9.192 -12.643 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.392 6.641 -11.831 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.258 6.989 -13.543 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.147 7.310 -11.004 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.266 11.232 -12.602 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.492 9.476 -11.139 1.00 0.00 H new