USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 702 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 81 LYS NZ :NH3+ 164:sc= 0 (180deg=0) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -151:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 THR OG1 : rot 74:sc= 0.795 USER MOD Set 2.2: A 23 CYS SG : rot -43:sc= 0.351! USER MOD Set 3.1: A 9 SER OG : rot -147:sc= 1.09 USER MOD Set 3.2: A 68 ASN : amide:sc= 0.198 K(o=1.3,f=-6!) USER MOD Set 4.1: A 5 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.24) USER MOD Set 4.2: A 67 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.00227) USER MOD Single : A 1 MET CE :methyl -110:sc= -0.927 (180deg=-2.27) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.695 K(o=-0.69,f=-3!) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc=-0.00337 (180deg=-0.119) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.4!) USER MOD Single : A 31 ASN : amide:sc= -0.0425 X(o=-0.042,f=-0.19) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 27:sc= 0.138 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0112 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -1 USER MOD Single : A 50 HIS : no HD1:sc= -0.97 X(o=-0.97,f=-1.4) USER MOD Single : A 51 TYR OH : rot 110:sc= -1.76 USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.229) USER MOD Single : A 58 TYR OH : rot -50:sc= 1.11 USER MOD Single : A 59 THR OG1 : rot -110:sc= -0.962 USER MOD Single : A 62 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -49:sc= 0.446 USER MOD Single : A 75 HIS : no HE2:sc= 0.0259 X(o=0.026,f=-0.27) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.177 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.467 6.856 -7.086 1.00 0.00 N ATOM 2 CA MET A 1 -4.825 5.762 -6.311 1.00 0.00 C ATOM 3 C MET A 1 -4.768 6.100 -4.825 1.00 0.00 C ATOM 4 O MET A 1 -4.417 7.217 -4.445 1.00 0.00 O ATOM 5 CB MET A 1 -3.413 5.543 -6.857 1.00 0.00 C ATOM 6 CG MET A 1 -2.759 4.264 -6.356 1.00 0.00 C ATOM 7 SD MET A 1 -2.611 3.006 -7.641 1.00 0.00 S ATOM 8 CE MET A 1 -0.936 3.296 -8.206 1.00 0.00 C ATOM 0 H1 MET A 1 -5.492 6.599 -8.093 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.437 7.002 -6.742 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.921 7.733 -6.966 1.00 0.00 H new ATOM 0 HA MET A 1 -5.416 4.852 -6.418 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.453 5.518 -7.946 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.789 6.393 -6.580 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.768 4.497 -5.966 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.342 3.863 -5.527 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.959 3.724 -9.208 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.438 3.988 -7.527 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.391 2.353 -8.227 1.00 0.00 H new ATOM 20 N ARG A 2 -5.118 5.129 -3.988 1.00 0.00 N ATOM 21 CA ARG A 2 -5.107 5.325 -2.542 1.00 0.00 C ATOM 22 C ARG A 2 -4.470 4.132 -1.835 1.00 0.00 C ATOM 23 O ARG A 2 -4.405 3.035 -2.386 1.00 0.00 O ATOM 24 CB ARG A 2 -6.531 5.536 -2.024 1.00 0.00 C ATOM 25 CG ARG A 2 -7.368 6.458 -2.896 1.00 0.00 C ATOM 26 CD ARG A 2 -8.808 6.531 -2.411 1.00 0.00 C ATOM 27 NE ARG A 2 -9.159 7.868 -1.937 1.00 0.00 N ATOM 28 CZ ARG A 2 -9.483 8.879 -2.740 1.00 0.00 C ATOM 29 NH1 ARG A 2 -9.499 8.711 -4.057 1.00 0.00 N ATOM 30 NH2 ARG A 2 -9.791 10.061 -2.225 1.00 0.00 N ATOM 0 H ARG A 2 -5.413 4.199 -4.285 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.513 6.213 -2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.029 4.569 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.484 5.947 -1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.932 7.457 -2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.348 6.103 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.478 6.246 -3.222 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.957 5.811 -1.607 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.156 8.037 -0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.262 7.804 -4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.748 9.489 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.780 10.195 -1.214 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.039 10.836 -2.840 1.00 0.00 H new ATOM 44 N ILE A 3 -4.004 4.356 -0.610 1.00 0.00 N ATOM 45 CA ILE A 3 -3.371 3.303 0.180 1.00 0.00 C ATOM 46 C ILE A 3 -4.225 2.038 0.215 1.00 0.00 C ATOM 47 O ILE A 3 -3.705 0.934 0.380 1.00 0.00 O ATOM 48 CB ILE A 3 -3.105 3.776 1.622 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.365 2.689 2.414 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.409 4.174 2.302 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.269 1.656 3.060 1.00 0.00 C ATOM 0 H ILE A 3 -4.053 5.260 -0.141 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.422 3.072 -0.304 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.466 4.658 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.671 2.179 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.767 3.166 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.202 4.505 3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.877 4.985 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.082 3.317 2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.663 0.927 3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.946 2.150 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.849 1.147 2.290 1.00 0.00 H new ATOM 63 N ASP A 4 -5.534 2.202 0.062 1.00 0.00 N ATOM 64 CA ASP A 4 -6.448 1.066 0.082 1.00 0.00 C ATOM 65 C ASP A 4 -6.233 0.164 -1.131 1.00 0.00 C ATOM 66 O ASP A 4 -5.965 -1.025 -0.986 1.00 0.00 O ATOM 67 CB ASP A 4 -7.905 1.541 0.132 1.00 0.00 C ATOM 68 CG ASP A 4 -8.180 2.701 -0.806 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.244 2.472 -2.032 1.00 0.00 O ATOM 70 OD2 ASP A 4 -8.332 3.839 -0.313 1.00 0.00 O ATOM 0 H ASP A 4 -5.985 3.106 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.236 0.488 0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.562 0.710 -0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.150 1.839 1.152 1.00 0.00 H new ATOM 75 N LYS A 5 -6.360 0.733 -2.325 1.00 0.00 N ATOM 76 CA LYS A 5 -6.186 -0.027 -3.562 1.00 0.00 C ATOM 77 C LYS A 5 -4.736 0.000 -4.052 1.00 0.00 C ATOM 78 O LYS A 5 -4.401 -0.643 -5.047 1.00 0.00 O ATOM 79 CB LYS A 5 -7.109 0.524 -4.650 1.00 0.00 C ATOM 80 CG LYS A 5 -7.450 -0.488 -5.731 1.00 0.00 C ATOM 81 CD LYS A 5 -7.619 0.179 -7.087 1.00 0.00 C ATOM 82 CE LYS A 5 -8.737 1.210 -7.068 1.00 0.00 C ATOM 83 NZ LYS A 5 -9.964 0.713 -7.751 1.00 0.00 N ATOM 0 H LYS A 5 -6.583 1.719 -2.465 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.446 -1.064 -3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.032 0.874 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.635 1.390 -5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.662 -1.239 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.369 -1.011 -5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.684 0.660 -7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.834 -0.578 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.975 1.468 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.396 2.124 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.773 1.311 -7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.826 0.748 -8.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.150 -0.268 -7.460 1.00 0.00 H new ATOM 97 N PHE A 6 -3.884 0.760 -3.370 1.00 0.00 N ATOM 98 CA PHE A 6 -2.483 0.880 -3.762 1.00 0.00 C ATOM 99 C PHE A 6 -1.680 -0.371 -3.415 1.00 0.00 C ATOM 100 O PHE A 6 -1.166 -1.053 -4.301 1.00 0.00 O ATOM 101 CB PHE A 6 -1.853 2.102 -3.091 1.00 0.00 C ATOM 102 CG PHE A 6 -0.417 2.329 -3.474 1.00 0.00 C ATOM 103 CD1 PHE A 6 -0.076 2.645 -4.779 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.590 2.228 -2.527 1.00 0.00 C ATOM 105 CE1 PHE A 6 1.243 2.856 -5.134 1.00 0.00 C ATOM 106 CE2 PHE A 6 1.911 2.437 -2.876 1.00 0.00 C ATOM 107 CZ PHE A 6 2.238 2.752 -4.181 1.00 0.00 C ATOM 0 H PHE A 6 -4.139 1.302 -2.544 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.458 0.999 -4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.433 2.987 -3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.917 1.985 -2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.850 2.727 -5.528 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.340 1.983 -1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.496 3.102 -6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.687 2.354 -2.129 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.269 2.917 -4.456 1.00 0.00 H new ATOM 117 N LEU A 7 -1.555 -0.655 -2.124 1.00 0.00 N ATOM 118 CA LEU A 7 -0.789 -1.809 -1.668 1.00 0.00 C ATOM 119 C LEU A 7 -1.626 -3.086 -1.649 1.00 0.00 C ATOM 120 O LEU A 7 -1.084 -4.186 -1.541 1.00 0.00 O ATOM 121 CB LEU A 7 -0.210 -1.537 -0.279 1.00 0.00 C ATOM 122 CG LEU A 7 -1.237 -1.239 0.816 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.808 -2.531 1.385 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.604 -0.403 1.918 1.00 0.00 C ATOM 0 H LEU A 7 -1.973 -0.103 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 7 0.023 -1.964 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.379 -2.402 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.476 -0.693 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.057 -0.671 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.536 -2.296 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.295 -3.095 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.002 -3.128 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.345 -0.198 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.233 -0.949 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.245 0.538 1.501 1.00 0.00 H new ATOM 136 N GLN A 8 -2.942 -2.944 -1.755 1.00 0.00 N ATOM 137 CA GLN A 8 -3.831 -4.101 -1.748 1.00 0.00 C ATOM 138 C GLN A 8 -4.072 -4.632 -3.161 1.00 0.00 C ATOM 139 O GLN A 8 -4.595 -5.733 -3.334 1.00 0.00 O ATOM 140 CB GLN A 8 -5.165 -3.741 -1.095 1.00 0.00 C ATOM 141 CG GLN A 8 -5.022 -3.180 0.311 1.00 0.00 C ATOM 142 CD GLN A 8 -6.358 -3.012 1.009 1.00 0.00 C ATOM 143 OE1 GLN A 8 -6.711 -1.915 1.440 1.00 0.00 O ATOM 144 NE2 GLN A 8 -7.107 -4.102 1.123 1.00 0.00 N ATOM 0 H GLN A 8 -3.416 -2.045 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.345 -4.887 -1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.680 -3.010 -1.718 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.795 -4.630 -1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.389 -3.843 0.900 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.517 -2.215 0.264 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.774 -4.991 0.750 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.016 -4.050 1.583 1.00 0.00 H new ATOM 153 N SER A 9 -3.696 -3.847 -4.168 1.00 0.00 N ATOM 154 CA SER A 9 -3.884 -4.251 -5.558 1.00 0.00 C ATOM 155 C SER A 9 -2.552 -4.319 -6.302 1.00 0.00 C ATOM 156 O SER A 9 -2.503 -4.156 -7.521 1.00 0.00 O ATOM 157 CB SER A 9 -4.828 -3.278 -6.268 1.00 0.00 C ATOM 158 OG SER A 9 -5.834 -3.974 -6.984 1.00 0.00 O ATOM 0 H SER A 9 -3.261 -2.932 -4.048 1.00 0.00 H new ATOM 0 HA SER A 9 -4.325 -5.248 -5.559 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.290 -2.616 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.259 -2.649 -6.953 1.00 0.00 H new ATOM 0 HG SER A 9 -6.069 -3.470 -7.791 1.00 0.00 H new ATOM 164 N VAL A 10 -1.474 -4.563 -5.564 1.00 0.00 N ATOM 165 CA VAL A 10 -0.145 -4.654 -6.161 1.00 0.00 C ATOM 166 C VAL A 10 0.432 -6.060 -6.023 1.00 0.00 C ATOM 167 O VAL A 10 1.329 -6.447 -6.772 1.00 0.00 O ATOM 168 CB VAL A 10 0.831 -3.648 -5.522 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.573 -2.245 -6.049 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.722 -3.686 -4.005 1.00 0.00 C ATOM 0 H VAL A 10 -1.494 -4.701 -4.554 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.262 -4.416 -7.218 1.00 0.00 H new ATOM 0 HB VAL A 10 1.847 -3.932 -5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.272 -1.548 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.710 -2.232 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.448 -1.948 -5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.419 -2.969 -3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.295 -3.430 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.963 -4.687 -3.648 1.00 0.00 H new ATOM 180 N GLY A 11 -0.085 -6.822 -5.063 1.00 0.00 N ATOM 181 CA GLY A 11 0.395 -8.175 -4.850 1.00 0.00 C ATOM 182 C GLY A 11 0.897 -8.406 -3.435 1.00 0.00 C ATOM 183 O GLY A 11 1.425 -9.474 -3.127 1.00 0.00 O ATOM 0 H GLY A 11 -0.828 -6.526 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.409 -8.879 -5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.199 -8.385 -5.555 1.00 0.00 H new ATOM 187 N LEU A 12 0.733 -7.406 -2.572 1.00 0.00 N ATOM 188 CA LEU A 12 1.175 -7.514 -1.187 1.00 0.00 C ATOM 189 C LEU A 12 0.166 -8.299 -0.355 1.00 0.00 C ATOM 190 O LEU A 12 0.488 -9.347 0.203 1.00 0.00 O ATOM 191 CB LEU A 12 1.380 -6.120 -0.587 1.00 0.00 C ATOM 192 CG LEU A 12 2.832 -5.634 -0.562 1.00 0.00 C ATOM 193 CD1 LEU A 12 2.916 -4.178 -0.994 1.00 0.00 C ATOM 194 CD2 LEU A 12 3.432 -5.815 0.825 1.00 0.00 C ATOM 0 H LEU A 12 0.298 -6.514 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 12 2.124 -8.050 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.783 -5.405 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.995 -6.119 0.433 1.00 0.00 H new ATOM 0 HG LEU A 12 3.407 -6.235 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.955 -3.851 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.527 -4.076 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.326 -3.562 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.464 -5.464 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.854 -5.240 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.408 -6.870 1.097 1.00 0.00 H new ATOM 206 N VAL A 13 -1.058 -7.784 -0.276 1.00 0.00 N ATOM 207 CA VAL A 13 -2.113 -8.438 0.488 1.00 0.00 C ATOM 208 C VAL A 13 -3.353 -8.670 -0.369 1.00 0.00 C ATOM 209 O VAL A 13 -4.045 -7.724 -0.745 1.00 0.00 O ATOM 210 CB VAL A 13 -2.508 -7.612 1.727 1.00 0.00 C ATOM 211 CG1 VAL A 13 -1.516 -7.836 2.857 1.00 0.00 C ATOM 212 CG2 VAL A 13 -2.606 -6.133 1.379 1.00 0.00 C ATOM 0 H VAL A 13 -1.342 -6.917 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.714 -9.399 0.813 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.489 -7.947 2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.812 -7.244 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.503 -8.892 3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.521 -7.532 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.886 -5.568 2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.641 -5.780 1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.361 -5.990 0.606 1.00 0.00 H new ATOM 222 N LYS A 14 -3.628 -9.934 -0.672 1.00 0.00 N ATOM 223 CA LYS A 14 -4.787 -10.292 -1.482 1.00 0.00 C ATOM 224 C LYS A 14 -5.924 -10.807 -0.605 1.00 0.00 C ATOM 225 O LYS A 14 -5.735 -11.719 0.200 1.00 0.00 O ATOM 226 CB LYS A 14 -4.405 -11.352 -2.517 1.00 0.00 C ATOM 227 CG LYS A 14 -3.219 -10.959 -3.382 1.00 0.00 C ATOM 228 CD LYS A 14 -2.851 -12.066 -4.358 1.00 0.00 C ATOM 229 CE LYS A 14 -3.900 -12.218 -5.448 1.00 0.00 C ATOM 230 NZ LYS A 14 -3.885 -11.071 -6.397 1.00 0.00 N ATOM 0 H LYS A 14 -3.064 -10.728 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.128 -9.396 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.175 -12.284 -2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.264 -11.546 -3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.455 -10.049 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.363 -10.733 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.884 -11.847 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.745 -13.008 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.723 -13.144 -5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.887 -12.300 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.477 -11.295 -7.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.258 -10.224 -5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.909 -10.892 -6.709 1.00 0.00 H new ATOM 244 N ARG A 15 -7.103 -10.215 -0.766 1.00 0.00 N ATOM 245 CA ARG A 15 -8.270 -10.614 0.013 1.00 0.00 C ATOM 246 C ARG A 15 -9.556 -10.368 -0.769 1.00 0.00 C ATOM 247 O ARG A 15 -9.535 -9.776 -1.848 1.00 0.00 O ATOM 248 CB ARG A 15 -8.306 -9.851 1.339 1.00 0.00 C ATOM 249 CG ARG A 15 -8.272 -10.753 2.562 1.00 0.00 C ATOM 250 CD ARG A 15 -7.736 -10.021 3.783 1.00 0.00 C ATOM 251 NE ARG A 15 -8.718 -9.091 4.340 1.00 0.00 N ATOM 252 CZ ARG A 15 -8.782 -7.797 4.030 1.00 0.00 C ATOM 253 NH1 ARG A 15 -7.922 -7.264 3.169 1.00 0.00 N ATOM 254 NH2 ARG A 15 -9.710 -7.030 4.585 1.00 0.00 N ATOM 0 H ARG A 15 -7.276 -9.458 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.194 -11.682 0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.458 -9.168 1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.209 -9.241 1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.276 -11.122 2.770 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.649 -11.623 2.356 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.452 -10.747 4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.833 -9.474 3.511 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.397 -9.456 5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.204 -7.847 2.738 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.980 -6.272 2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.373 -7.431 5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.761 -6.039 4.349 1.00 0.00 H new ATOM 268 N ARG A 16 -10.675 -10.827 -0.218 1.00 0.00 N ATOM 269 CA ARG A 16 -11.972 -10.656 -0.864 1.00 0.00 C ATOM 270 C ARG A 16 -13.021 -10.186 0.138 1.00 0.00 C ATOM 271 O ARG A 16 -13.769 -10.990 0.694 1.00 0.00 O ATOM 272 CB ARG A 16 -12.419 -11.969 -1.511 1.00 0.00 C ATOM 273 CG ARG A 16 -11.358 -12.602 -2.397 1.00 0.00 C ATOM 274 CD ARG A 16 -11.972 -13.247 -3.630 1.00 0.00 C ATOM 275 NE ARG A 16 -10.967 -13.906 -4.460 1.00 0.00 N ATOM 276 CZ ARG A 16 -11.157 -14.230 -5.737 1.00 0.00 C ATOM 277 NH1 ARG A 16 -12.311 -13.959 -6.334 1.00 0.00 N ATOM 278 NH2 ARG A 16 -10.189 -14.827 -6.420 1.00 0.00 N ATOM 0 H ARG A 16 -10.710 -11.320 0.674 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.868 -9.895 -1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.695 -12.675 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -13.314 -11.786 -2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.638 -11.843 -2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.808 -13.352 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.723 -13.975 -3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.487 -12.487 -4.218 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.067 -14.131 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.059 -13.500 -5.814 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.450 -14.210 -7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.300 -15.037 -5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.334 -15.076 -7.399 1.00 0.00 H new ATOM 292 N VAL A 17 -13.070 -8.877 0.365 1.00 0.00 N ATOM 293 CA VAL A 17 -14.027 -8.297 1.300 1.00 0.00 C ATOM 294 C VAL A 17 -14.340 -6.848 0.936 1.00 0.00 C ATOM 295 O VAL A 17 -13.440 -6.070 0.619 1.00 0.00 O ATOM 296 CB VAL A 17 -13.502 -8.359 2.749 1.00 0.00 C ATOM 297 CG1 VAL A 17 -12.242 -7.518 2.902 1.00 0.00 C ATOM 298 CG2 VAL A 17 -14.576 -7.912 3.730 1.00 0.00 C ATOM 0 H VAL A 17 -12.457 -8.198 -0.086 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.941 -8.887 1.231 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.247 -9.394 2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.889 -7.576 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.470 -7.895 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.465 -6.481 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -14.185 -7.963 4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -14.870 -6.887 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -15.444 -8.565 3.642 1.00 0.00 H new ATOM 308 N LEU A 18 -15.621 -6.494 0.978 1.00 0.00 N ATOM 309 CA LEU A 18 -16.052 -5.139 0.645 1.00 0.00 C ATOM 310 C LEU A 18 -15.804 -4.164 1.798 1.00 0.00 C ATOM 311 O LEU A 18 -16.086 -2.972 1.680 1.00 0.00 O ATOM 312 CB LEU A 18 -17.537 -5.132 0.249 1.00 0.00 C ATOM 313 CG LEU A 18 -18.548 -5.169 1.405 1.00 0.00 C ATOM 314 CD1 LEU A 18 -18.149 -6.201 2.449 1.00 0.00 C ATOM 315 CD2 LEU A 18 -18.691 -3.792 2.038 1.00 0.00 C ATOM 0 H LEU A 18 -16.378 -7.125 1.239 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.455 -4.804 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -17.729 -4.239 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -17.723 -5.990 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.515 -5.462 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.882 -6.205 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.110 -7.188 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.168 -5.950 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.412 -3.840 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.725 -3.467 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -19.039 -3.081 1.288 1.00 0.00 H new ATOM 327 N ALA A 19 -15.277 -4.670 2.911 1.00 0.00 N ATOM 328 CA ALA A 19 -15.000 -3.833 4.071 1.00 0.00 C ATOM 329 C ALA A 19 -13.506 -3.793 4.375 1.00 0.00 C ATOM 330 O ALA A 19 -12.929 -4.779 4.834 1.00 0.00 O ATOM 331 CB ALA A 19 -15.772 -4.336 5.281 1.00 0.00 C ATOM 0 H ALA A 19 -15.035 -5.653 3.032 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.325 -2.818 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.555 -3.701 6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -16.841 -4.307 5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -15.474 -5.361 5.503 1.00 0.00 H new ATOM 337 N THR A 20 -12.885 -2.647 4.116 1.00 0.00 N ATOM 338 CA THR A 20 -11.458 -2.478 4.361 1.00 0.00 C ATOM 339 C THR A 20 -11.129 -2.699 5.834 1.00 0.00 C ATOM 340 O THR A 20 -11.535 -1.919 6.695 1.00 0.00 O ATOM 341 CB THR A 20 -11.006 -1.082 3.930 1.00 0.00 C ATOM 342 OG1 THR A 20 -11.803 -0.084 4.544 1.00 0.00 O ATOM 343 CG2 THR A 20 -11.073 -0.867 2.433 1.00 0.00 C ATOM 0 H THR A 20 -13.348 -1.821 3.736 1.00 0.00 H new ATOM 0 HA THR A 20 -10.924 -3.223 3.772 1.00 0.00 H new ATOM 0 HB THR A 20 -9.966 -1.005 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.556 -0.003 5.489 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.739 0.143 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.429 -1.590 1.932 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.100 -0.999 2.092 1.00 0.00 H new ATOM 351 N ASP A 21 -10.389 -3.766 6.116 1.00 0.00 N ATOM 352 CA ASP A 21 -10.003 -4.090 7.484 1.00 0.00 C ATOM 353 C ASP A 21 -8.641 -3.491 7.822 1.00 0.00 C ATOM 354 O ASP A 21 -8.355 -3.187 8.980 1.00 0.00 O ATOM 355 CB ASP A 21 -9.972 -5.608 7.682 1.00 0.00 C ATOM 356 CG ASP A 21 -11.236 -6.132 8.335 1.00 0.00 C ATOM 357 OD1 ASP A 21 -11.289 -6.167 9.582 1.00 0.00 O ATOM 358 OD2 ASP A 21 -12.173 -6.507 7.599 1.00 0.00 O ATOM 0 H ASP A 21 -10.044 -4.421 5.415 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.745 -3.659 8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.837 -6.095 6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.112 -5.874 8.296 1.00 0.00 H new ATOM 363 N MET A 22 -7.803 -3.325 6.803 1.00 0.00 N ATOM 364 CA MET A 22 -6.469 -2.763 6.990 1.00 0.00 C ATOM 365 C MET A 22 -6.544 -1.384 7.641 1.00 0.00 C ATOM 366 O MET A 22 -5.645 -0.988 8.383 1.00 0.00 O ATOM 367 CB MET A 22 -5.742 -2.669 5.647 1.00 0.00 C ATOM 368 CG MET A 22 -4.270 -3.045 5.725 1.00 0.00 C ATOM 369 SD MET A 22 -3.890 -4.566 4.832 1.00 0.00 S ATOM 370 CE MET A 22 -4.678 -5.782 5.885 1.00 0.00 C ATOM 0 H MET A 22 -8.024 -3.572 5.838 1.00 0.00 H new ATOM 0 HA MET A 22 -5.911 -3.425 7.652 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.238 -3.322 4.928 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.829 -1.651 5.266 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.670 -2.231 5.319 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.984 -3.161 6.770 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.531 -6.777 5.465 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.238 -5.740 6.881 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.745 -5.570 5.950 1.00 0.00 H new ATOM 380 N CYS A 23 -7.620 -0.659 7.356 1.00 0.00 N ATOM 381 CA CYS A 23 -7.813 0.675 7.913 1.00 0.00 C ATOM 382 C CYS A 23 -8.341 0.603 9.344 1.00 0.00 C ATOM 383 O CYS A 23 -8.189 1.547 10.119 1.00 0.00 O ATOM 384 CB CYS A 23 -8.779 1.479 7.041 1.00 0.00 C ATOM 385 SG CYS A 23 -10.456 0.804 6.982 1.00 0.00 S ATOM 0 H CYS A 23 -8.372 -0.973 6.742 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.845 1.175 7.930 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.823 2.502 7.415 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.382 1.527 6.027 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.399 -0.489 6.861 1.00 0.00 H new ATOM 391 N ASN A 24 -8.964 -0.521 9.688 1.00 0.00 N ATOM 392 CA ASN A 24 -9.514 -0.710 11.025 1.00 0.00 C ATOM 393 C ASN A 24 -8.484 -1.348 11.952 1.00 0.00 C ATOM 394 O ASN A 24 -8.311 -0.919 13.092 1.00 0.00 O ATOM 395 CB ASN A 24 -10.772 -1.580 10.961 1.00 0.00 C ATOM 396 CG ASN A 24 -12.043 -0.770 11.127 1.00 0.00 C ATOM 397 OD1 ASN A 24 -12.049 0.445 10.929 1.00 0.00 O ATOM 398 ND2 ASN A 24 -13.128 -1.442 11.493 1.00 0.00 N ATOM 0 H ASN A 24 -9.100 -1.313 9.060 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.777 0.269 11.426 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.800 -2.104 10.005 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.725 -2.341 11.740 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -14.013 -0.951 11.621 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.077 -2.449 11.646 1.00 0.00 H new ATOM 405 N VAL A 25 -7.803 -2.375 11.454 1.00 0.00 N ATOM 406 CA VAL A 25 -6.791 -3.073 12.237 1.00 0.00 C ATOM 407 C VAL A 25 -5.689 -2.119 12.687 1.00 0.00 C ATOM 408 O VAL A 25 -5.065 -2.324 13.729 1.00 0.00 O ATOM 409 CB VAL A 25 -6.160 -4.228 11.438 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.192 -5.310 11.159 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.555 -3.712 10.141 1.00 0.00 C ATOM 0 H VAL A 25 -7.934 -2.742 10.511 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.295 -3.481 13.113 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.361 -4.665 12.036 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.728 -6.118 10.593 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.574 -5.700 12.102 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.014 -4.888 10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.114 -4.542 9.590 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.334 -3.248 9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.784 -2.976 10.367 1.00 0.00 H new ATOM 421 N GLY A 26 -5.453 -1.077 11.896 1.00 0.00 N ATOM 422 CA GLY A 26 -4.426 -0.109 12.231 1.00 0.00 C ATOM 423 C GLY A 26 -3.170 -0.288 11.402 1.00 0.00 C ATOM 424 O GLY A 26 -2.066 0.007 11.861 1.00 0.00 O ATOM 0 H GLY A 26 -5.955 -0.886 11.029 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.817 0.897 12.081 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.176 -0.200 13.288 1.00 0.00 H new ATOM 428 N ALA A 27 -3.338 -0.773 10.176 1.00 0.00 N ATOM 429 CA ALA A 27 -2.210 -0.993 9.279 1.00 0.00 C ATOM 430 C ALA A 27 -2.016 0.194 8.342 1.00 0.00 C ATOM 431 O ALA A 27 -0.894 0.504 7.940 1.00 0.00 O ATOM 432 CB ALA A 27 -2.416 -2.273 8.483 1.00 0.00 C ATOM 0 H ALA A 27 -4.245 -1.021 9.781 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.308 -1.095 9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.568 -2.427 7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.498 -3.118 9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.330 -2.192 7.894 1.00 0.00 H new ATOM 438 N VAL A 28 -3.116 0.854 7.998 1.00 0.00 N ATOM 439 CA VAL A 28 -3.070 2.008 7.109 1.00 0.00 C ATOM 440 C VAL A 28 -2.421 3.205 7.796 1.00 0.00 C ATOM 441 O VAL A 28 -2.986 3.780 8.727 1.00 0.00 O ATOM 442 CB VAL A 28 -4.481 2.402 6.632 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.408 3.529 5.613 1.00 0.00 C ATOM 444 CG2 VAL A 28 -5.205 1.196 6.053 1.00 0.00 C ATOM 0 H VAL A 28 -4.052 0.609 8.322 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.470 1.722 6.245 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.047 2.759 7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.415 3.792 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.934 4.399 6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.823 3.204 4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.200 1.493 5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.642 0.806 5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.293 0.423 6.817 1.00 0.00 H new ATOM 454 N TRP A 29 -1.234 3.576 7.329 1.00 0.00 N ATOM 455 CA TRP A 29 -0.507 4.706 7.897 1.00 0.00 C ATOM 456 C TRP A 29 0.281 5.442 6.818 1.00 0.00 C ATOM 457 O TRP A 29 1.213 4.892 6.232 1.00 0.00 O ATOM 458 CB TRP A 29 0.440 4.230 8.999 1.00 0.00 C ATOM 459 CG TRP A 29 -0.200 4.177 10.353 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.201 3.341 10.755 1.00 0.00 C ATOM 461 CD2 TRP A 29 0.118 4.997 11.484 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.527 3.590 12.066 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.731 4.602 12.536 1.00 0.00 C ATOM 464 CE3 TRP A 29 1.037 6.025 11.710 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -0.686 5.200 13.793 1.00 0.00 C ATOM 466 CZ3 TRP A 29 1.080 6.617 12.958 1.00 0.00 C ATOM 467 CH2 TRP A 29 0.224 6.203 13.986 1.00 0.00 C ATOM 0 H TRP A 29 -0.754 3.111 6.558 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.235 5.395 8.326 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.814 3.239 8.743 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.302 4.895 9.039 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.669 2.592 10.133 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.244 3.102 12.602 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.702 6.351 10.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.346 4.883 14.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.786 7.413 13.144 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.283 6.685 14.951 1.00 0.00 H new ATOM 478 N LEU A 30 -0.101 6.688 6.559 1.00 0.00 N ATOM 479 CA LEU A 30 0.570 7.499 5.550 1.00 0.00 C ATOM 480 C LEU A 30 1.355 8.636 6.196 1.00 0.00 C ATOM 481 O LEU A 30 0.830 9.369 7.034 1.00 0.00 O ATOM 482 CB LEU A 30 -0.451 8.068 4.562 1.00 0.00 C ATOM 483 CG LEU A 30 0.132 8.539 3.228 1.00 0.00 C ATOM 484 CD1 LEU A 30 0.055 7.430 2.191 1.00 0.00 C ATOM 485 CD2 LEU A 30 -0.595 9.782 2.737 1.00 0.00 C ATOM 0 H LEU A 30 -0.872 7.158 7.034 1.00 0.00 H new ATOM 0 HA LEU A 30 1.270 6.858 5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.205 7.306 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.962 8.907 5.034 1.00 0.00 H new ATOM 0 HG LEU A 30 1.181 8.793 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.474 7.783 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.622 6.566 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.986 7.144 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.167 10.103 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.652 9.555 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.487 10.580 3.471 1.00 0.00 H new ATOM 497 N ASN A 31 2.616 8.776 5.800 1.00 0.00 N ATOM 498 CA ASN A 31 3.476 9.824 6.339 1.00 0.00 C ATOM 499 C ASN A 31 3.602 9.701 7.854 1.00 0.00 C ATOM 500 O ASN A 31 3.618 10.703 8.570 1.00 0.00 O ATOM 501 CB ASN A 31 2.926 11.203 5.971 1.00 0.00 C ATOM 502 CG ASN A 31 3.985 12.285 6.039 1.00 0.00 C ATOM 503 OD1 ASN A 31 5.061 12.155 5.455 1.00 0.00 O ATOM 504 ND2 ASN A 31 3.686 13.362 6.757 1.00 0.00 N ATOM 0 H ASN A 31 3.065 8.177 5.108 1.00 0.00 H new ATOM 0 HA ASN A 31 4.467 9.707 5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.510 11.168 4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.108 11.456 6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.360 14.123 6.841 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.782 13.428 7.225 1.00 0.00 H new ATOM 511 N GLY A 32 3.692 8.466 8.337 1.00 0.00 N ATOM 512 CA GLY A 32 3.816 8.235 9.764 1.00 0.00 C ATOM 513 C GLY A 32 2.580 8.663 10.531 1.00 0.00 C ATOM 514 O GLY A 32 2.667 9.046 11.698 1.00 0.00 O ATOM 0 H GLY A 32 3.681 7.621 7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.002 7.176 9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.681 8.779 10.143 1.00 0.00 H new ATOM 518 N SER A 33 1.427 8.598 9.875 1.00 0.00 N ATOM 519 CA SER A 33 0.168 8.982 10.502 1.00 0.00 C ATOM 520 C SER A 33 -0.954 8.032 10.096 1.00 0.00 C ATOM 521 O SER A 33 -1.085 7.674 8.926 1.00 0.00 O ATOM 522 CB SER A 33 -0.200 10.417 10.119 1.00 0.00 C ATOM 523 OG SER A 33 0.295 11.343 11.071 1.00 0.00 O ATOM 0 H SER A 33 1.338 8.283 8.909 1.00 0.00 H new ATOM 0 HA SER A 33 0.297 8.923 11.583 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.207 10.650 9.135 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.284 10.510 10.046 1.00 0.00 H new ATOM 0 HG SER A 33 0.048 12.252 10.802 1.00 0.00 H new ATOM 529 N CYS A 34 -1.761 7.627 11.071 1.00 0.00 N ATOM 530 CA CYS A 34 -2.872 6.718 10.814 1.00 0.00 C ATOM 531 C CYS A 34 -3.867 7.336 9.837 1.00 0.00 C ATOM 532 O CYS A 34 -4.227 8.507 9.961 1.00 0.00 O ATOM 533 CB CYS A 34 -3.580 6.361 12.123 1.00 0.00 C ATOM 534 SG CYS A 34 -4.317 7.777 12.973 1.00 0.00 S ATOM 0 H CYS A 34 -1.667 7.914 12.045 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.469 5.809 10.367 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.361 5.630 11.914 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.865 5.881 12.791 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.603 8.703 12.106 1.00 0.00 H new ATOM 540 N ALA A 35 -4.307 6.543 8.867 1.00 0.00 N ATOM 541 CA ALA A 35 -5.259 7.012 7.869 1.00 0.00 C ATOM 542 C ALA A 35 -6.355 5.980 7.628 1.00 0.00 C ATOM 543 O ALA A 35 -6.150 4.783 7.831 1.00 0.00 O ATOM 544 CB ALA A 35 -4.542 7.338 6.567 1.00 0.00 C ATOM 0 H ALA A 35 -4.019 5.571 8.751 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.728 7.919 8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.266 7.687 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.801 8.117 6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.045 6.444 6.191 1.00 0.00 H new ATOM 550 N LYS A 36 -7.519 6.451 7.194 1.00 0.00 N ATOM 551 CA LYS A 36 -8.649 5.568 6.925 1.00 0.00 C ATOM 552 C LYS A 36 -8.496 4.884 5.570 1.00 0.00 C ATOM 553 O LYS A 36 -7.415 4.887 4.980 1.00 0.00 O ATOM 554 CB LYS A 36 -9.960 6.357 6.975 1.00 0.00 C ATOM 555 CG LYS A 36 -10.929 5.858 8.035 1.00 0.00 C ATOM 556 CD LYS A 36 -10.685 6.532 9.376 1.00 0.00 C ATOM 557 CE LYS A 36 -10.731 5.533 10.521 1.00 0.00 C ATOM 558 NZ LYS A 36 -12.124 5.108 10.832 1.00 0.00 N ATOM 0 H LYS A 36 -7.705 7.439 7.021 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.670 4.797 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.736 7.407 7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.443 6.305 5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.953 6.048 7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.825 4.779 8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.714 7.028 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.436 7.306 9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.134 4.658 10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.280 5.977 11.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.112 4.427 11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.688 5.939 11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.546 4.661 9.993 1.00 0.00 H new ATOM 572 N ALA A 37 -9.584 4.297 5.081 1.00 0.00 N ATOM 573 CA ALA A 37 -9.571 3.610 3.796 1.00 0.00 C ATOM 574 C ALA A 37 -10.067 4.521 2.679 1.00 0.00 C ATOM 575 O ALA A 37 -10.631 4.056 1.688 1.00 0.00 O ATOM 576 CB ALA A 37 -10.419 2.351 3.865 1.00 0.00 C ATOM 0 H ALA A 37 -10.486 4.284 5.557 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.541 3.332 3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.401 1.847 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.019 1.685 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.446 2.617 4.116 1.00 0.00 H new ATOM 582 N SER A 38 -9.853 5.822 2.844 1.00 0.00 N ATOM 583 CA SER A 38 -10.276 6.800 1.849 1.00 0.00 C ATOM 584 C SER A 38 -9.259 7.931 1.738 1.00 0.00 C ATOM 585 O SER A 38 -9.602 9.051 1.360 1.00 0.00 O ATOM 586 CB SER A 38 -11.648 7.368 2.212 1.00 0.00 C ATOM 587 OG SER A 38 -12.520 6.347 2.667 1.00 0.00 O ATOM 0 H SER A 38 -9.389 6.224 3.658 1.00 0.00 H new ATOM 0 HA SER A 38 -10.344 6.296 0.885 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.537 8.127 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.083 7.861 1.342 1.00 0.00 H new ATOM 0 HG SER A 38 -13.390 6.737 2.894 1.00 0.00 H new ATOM 593 N LYS A 39 -8.008 7.630 2.070 1.00 0.00 N ATOM 594 CA LYS A 39 -6.944 8.623 2.008 1.00 0.00 C ATOM 595 C LYS A 39 -6.123 8.462 0.732 1.00 0.00 C ATOM 596 O LYS A 39 -5.508 7.420 0.507 1.00 0.00 O ATOM 597 CB LYS A 39 -6.035 8.505 3.232 1.00 0.00 C ATOM 598 CG LYS A 39 -5.057 9.659 3.377 1.00 0.00 C ATOM 599 CD LYS A 39 -5.610 10.747 4.283 1.00 0.00 C ATOM 600 CE LYS A 39 -6.288 11.847 3.482 1.00 0.00 C ATOM 601 NZ LYS A 39 -7.056 12.777 4.355 1.00 0.00 N ATOM 0 H LYS A 39 -7.707 6.707 2.384 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.404 9.611 2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.652 8.448 4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.476 7.571 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.115 9.290 3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.839 10.078 2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.324 10.312 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.802 11.173 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.536 12.408 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.959 11.401 2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.503 13.512 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.790 12.247 4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.412 13.223 5.039 1.00 0.00 H new ATOM 615 N GLU A 40 -6.119 9.498 -0.099 1.00 0.00 N ATOM 616 CA GLU A 40 -5.374 9.470 -1.352 1.00 0.00 C ATOM 617 C GLU A 40 -3.871 9.504 -1.093 1.00 0.00 C ATOM 618 O GLU A 40 -3.399 10.225 -0.215 1.00 0.00 O ATOM 619 CB GLU A 40 -5.777 10.650 -2.238 1.00 0.00 C ATOM 620 CG GLU A 40 -5.257 10.546 -3.662 1.00 0.00 C ATOM 621 CD GLU A 40 -6.332 10.129 -4.646 1.00 0.00 C ATOM 622 OE1 GLU A 40 -6.955 9.067 -4.432 1.00 0.00 O ATOM 623 OE2 GLU A 40 -6.552 10.864 -5.632 1.00 0.00 O ATOM 0 H GLU A 40 -6.623 10.368 0.072 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.615 8.540 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.864 10.721 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.406 11.573 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.845 11.508 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.440 9.825 -3.695 1.00 0.00 H new ATOM 630 N VAL A 41 -3.125 8.722 -1.866 1.00 0.00 N ATOM 631 CA VAL A 41 -1.676 8.664 -1.721 1.00 0.00 C ATOM 632 C VAL A 41 -0.986 9.533 -2.767 1.00 0.00 C ATOM 633 O VAL A 41 -1.588 9.905 -3.774 1.00 0.00 O ATOM 634 CB VAL A 41 -1.154 7.219 -1.843 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.695 6.359 -0.712 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.518 6.628 -3.199 1.00 0.00 C ATOM 0 H VAL A 41 -3.500 8.120 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.442 9.042 -0.726 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.067 7.238 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.316 5.342 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.374 6.771 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.784 6.346 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.140 5.608 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.602 6.622 -3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.073 7.231 -3.990 1.00 0.00 H new ATOM 646 N LYS A 42 0.281 9.851 -2.522 1.00 0.00 N ATOM 647 CA LYS A 42 1.054 10.676 -3.443 1.00 0.00 C ATOM 648 C LYS A 42 2.372 9.999 -3.802 1.00 0.00 C ATOM 649 O LYS A 42 2.798 9.055 -3.135 1.00 0.00 O ATOM 650 CB LYS A 42 1.323 12.050 -2.827 1.00 0.00 C ATOM 651 CG LYS A 42 0.060 12.802 -2.440 1.00 0.00 C ATOM 652 CD LYS A 42 -0.323 13.829 -3.493 1.00 0.00 C ATOM 653 CE LYS A 42 0.256 15.198 -3.172 1.00 0.00 C ATOM 654 NZ LYS A 42 -0.686 16.296 -3.521 1.00 0.00 N ATOM 0 H LYS A 42 0.794 9.550 -1.693 1.00 0.00 H new ATOM 0 HA LYS A 42 0.471 10.803 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.947 11.926 -1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.891 12.652 -3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.759 12.095 -2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.211 13.300 -1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.034 13.501 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.409 13.898 -3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.497 15.250 -2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.190 15.334 -3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.253 17.212 -3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.896 16.263 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.568 16.182 -2.982 1.00 0.00 H new ATOM 668 N ALA A 43 3.015 10.486 -4.858 1.00 0.00 N ATOM 669 CA ALA A 43 4.285 9.927 -5.303 1.00 0.00 C ATOM 670 C ALA A 43 5.427 10.365 -4.392 1.00 0.00 C ATOM 671 O ALA A 43 5.340 11.395 -3.723 1.00 0.00 O ATOM 672 CB ALA A 43 4.568 10.336 -6.740 1.00 0.00 C ATOM 0 H ALA A 43 2.677 11.266 -5.421 1.00 0.00 H new ATOM 0 HA ALA A 43 4.212 8.841 -5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.520 9.911 -7.059 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.772 9.968 -7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.616 11.423 -6.806 1.00 0.00 H new ATOM 678 N GLY A 44 6.495 9.575 -4.370 1.00 0.00 N ATOM 679 CA GLY A 44 7.639 9.898 -3.537 1.00 0.00 C ATOM 680 C GLY A 44 7.277 9.995 -2.068 1.00 0.00 C ATOM 681 O GLY A 44 7.929 10.712 -1.308 1.00 0.00 O ATOM 0 H GLY A 44 6.589 8.717 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.408 9.136 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.068 10.844 -3.866 1.00 0.00 H new ATOM 685 N ASP A 45 6.236 9.273 -1.667 1.00 0.00 N ATOM 686 CA ASP A 45 5.789 9.282 -0.279 1.00 0.00 C ATOM 687 C ASP A 45 6.128 7.964 0.410 1.00 0.00 C ATOM 688 O ASP A 45 6.785 7.099 -0.171 1.00 0.00 O ATOM 689 CB ASP A 45 4.281 9.539 -0.207 1.00 0.00 C ATOM 690 CG ASP A 45 3.956 10.928 0.306 1.00 0.00 C ATOM 691 OD1 ASP A 45 3.991 11.130 1.538 1.00 0.00 O ATOM 692 OD2 ASP A 45 3.666 11.815 -0.524 1.00 0.00 O ATOM 0 H ASP A 45 5.686 8.674 -2.283 1.00 0.00 H new ATOM 0 HA ASP A 45 6.311 10.086 0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.845 9.409 -1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.819 8.797 0.444 1.00 0.00 H new ATOM 697 N THR A 46 5.679 7.818 1.652 1.00 0.00 N ATOM 698 CA THR A 46 5.936 6.607 2.421 1.00 0.00 C ATOM 699 C THR A 46 4.655 5.801 2.615 1.00 0.00 C ATOM 700 O THR A 46 3.551 6.332 2.499 1.00 0.00 O ATOM 701 CB THR A 46 6.539 6.966 3.779 1.00 0.00 C ATOM 702 OG1 THR A 46 7.743 7.695 3.617 1.00 0.00 O ATOM 703 CG2 THR A 46 6.847 5.758 4.636 1.00 0.00 C ATOM 0 H THR A 46 5.135 8.524 2.148 1.00 0.00 H new ATOM 0 HA THR A 46 6.645 5.994 1.865 1.00 0.00 H new ATOM 0 HB THR A 46 5.779 7.564 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.112 7.917 4.497 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.272 6.084 5.585 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.929 5.200 4.822 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.562 5.118 4.119 1.00 0.00 H new ATOM 711 N ILE A 47 4.814 4.515 2.914 1.00 0.00 N ATOM 712 CA ILE A 47 3.674 3.631 3.128 1.00 0.00 C ATOM 713 C ILE A 47 3.931 2.687 4.299 1.00 0.00 C ATOM 714 O ILE A 47 4.738 1.764 4.198 1.00 0.00 O ATOM 715 CB ILE A 47 3.364 2.800 1.867 1.00 0.00 C ATOM 716 CG1 ILE A 47 3.184 3.719 0.657 1.00 0.00 C ATOM 717 CG2 ILE A 47 2.120 1.949 2.080 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.996 4.649 0.778 1.00 0.00 C ATOM 0 H ILE A 47 5.722 4.062 3.014 1.00 0.00 H new ATOM 0 HA ILE A 47 2.815 4.263 3.354 1.00 0.00 H new ATOM 0 HB ILE A 47 4.205 2.134 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.088 4.313 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.068 3.109 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.917 1.370 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.282 1.272 2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.269 2.596 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.929 5.271 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.083 4.062 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.119 5.284 1.655 1.00 0.00 H new ATOM 730 N SER A 48 3.242 2.924 5.410 1.00 0.00 N ATOM 731 CA SER A 48 3.403 2.094 6.598 1.00 0.00 C ATOM 732 C SER A 48 2.427 0.923 6.586 1.00 0.00 C ATOM 733 O SER A 48 1.364 0.993 5.969 1.00 0.00 O ATOM 734 CB SER A 48 3.199 2.931 7.862 1.00 0.00 C ATOM 735 OG SER A 48 4.415 3.523 8.285 1.00 0.00 O ATOM 0 H SER A 48 2.568 3.683 5.513 1.00 0.00 H new ATOM 0 HA SER A 48 4.417 1.694 6.594 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.460 3.709 7.671 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.801 2.302 8.658 1.00 0.00 H new ATOM 0 HG SER A 48 4.257 4.054 9.093 1.00 0.00 H new ATOM 741 N LEU A 49 2.797 -0.152 7.273 1.00 0.00 N ATOM 742 CA LEU A 49 1.958 -1.342 7.347 1.00 0.00 C ATOM 743 C LEU A 49 2.129 -2.038 8.694 1.00 0.00 C ATOM 744 O LEU A 49 3.249 -2.311 9.124 1.00 0.00 O ATOM 745 CB LEU A 49 2.304 -2.306 6.208 1.00 0.00 C ATOM 746 CG LEU A 49 1.328 -2.295 5.031 1.00 0.00 C ATOM 747 CD1 LEU A 49 1.858 -3.150 3.891 1.00 0.00 C ATOM 748 CD2 LEU A 49 -0.044 -2.782 5.473 1.00 0.00 C ATOM 0 H LEU A 49 3.675 -0.224 7.788 1.00 0.00 H new ATOM 0 HA LEU A 49 0.917 -1.035 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.300 -2.063 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.352 -3.318 6.611 1.00 0.00 H new ATOM 0 HG LEU A 49 1.230 -1.270 4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.150 -3.130 3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.818 -2.757 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.986 -4.176 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.726 -2.768 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.037 -3.799 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.427 -2.128 6.257 1.00 0.00 H new ATOM 760 N HIS A 50 1.012 -2.318 9.357 1.00 0.00 N ATOM 761 CA HIS A 50 1.041 -2.977 10.657 1.00 0.00 C ATOM 762 C HIS A 50 0.670 -4.452 10.534 1.00 0.00 C ATOM 763 O HIS A 50 -0.303 -4.805 9.869 1.00 0.00 O ATOM 764 CB HIS A 50 0.087 -2.279 11.627 1.00 0.00 C ATOM 765 CG HIS A 50 0.525 -2.355 13.057 1.00 0.00 C ATOM 766 ND1 HIS A 50 1.132 -1.306 13.715 1.00 0.00 N ATOM 767 CD2 HIS A 50 0.442 -3.364 13.957 1.00 0.00 C ATOM 768 CE1 HIS A 50 1.404 -1.666 14.957 1.00 0.00 C ATOM 769 NE2 HIS A 50 0.994 -2.909 15.129 1.00 0.00 N ATOM 0 H HIS A 50 0.076 -2.099 9.016 1.00 0.00 H new ATOM 0 HA HIS A 50 2.058 -2.910 11.044 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.008 -1.232 11.340 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.903 -2.726 11.535 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.020 -4.343 13.785 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.881 -1.049 15.704 1.00 0.00 H new ATOM 0 HE2 HIS A 50 1.074 -3.445 15.993 1.00 0.00 H new ATOM 778 N TYR A 51 1.453 -5.306 11.183 1.00 0.00 N ATOM 779 CA TYR A 51 1.210 -6.744 11.154 1.00 0.00 C ATOM 780 C TYR A 51 1.431 -7.356 12.533 1.00 0.00 C ATOM 781 O TYR A 51 1.710 -6.647 13.499 1.00 0.00 O ATOM 782 CB TYR A 51 2.126 -7.417 10.130 1.00 0.00 C ATOM 783 CG TYR A 51 1.622 -7.320 8.707 1.00 0.00 C ATOM 784 CD1 TYR A 51 1.619 -6.105 8.033 1.00 0.00 C ATOM 785 CD2 TYR A 51 1.151 -8.442 8.038 1.00 0.00 C ATOM 786 CE1 TYR A 51 1.161 -6.012 6.733 1.00 0.00 C ATOM 787 CE2 TYR A 51 0.691 -8.357 6.738 1.00 0.00 C ATOM 788 CZ TYR A 51 0.698 -7.140 6.090 1.00 0.00 C ATOM 789 OH TYR A 51 0.242 -7.051 4.796 1.00 0.00 O ATOM 0 H TYR A 51 2.263 -5.027 11.737 1.00 0.00 H new ATOM 0 HA TYR A 51 0.172 -6.909 10.863 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.115 -6.963 10.187 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.241 -8.468 10.394 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.981 -5.219 8.534 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.144 -9.397 8.542 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.166 -5.060 6.223 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.328 -9.239 6.232 1.00 0.00 H new ATOM 0 HH TYR A 51 0.873 -7.500 4.195 1.00 0.00 H new ATOM 799 N LEU A 52 1.304 -8.676 12.618 1.00 0.00 N ATOM 800 CA LEU A 52 1.491 -9.380 13.882 1.00 0.00 C ATOM 801 C LEU A 52 2.929 -9.870 14.039 1.00 0.00 C ATOM 802 O LEU A 52 3.344 -10.257 15.132 1.00 0.00 O ATOM 803 CB LEU A 52 0.524 -10.562 13.978 1.00 0.00 C ATOM 804 CG LEU A 52 0.569 -11.534 12.798 1.00 0.00 C ATOM 805 CD1 LEU A 52 0.336 -12.961 13.272 1.00 0.00 C ATOM 806 CD2 LEU A 52 -0.461 -11.145 11.748 1.00 0.00 C ATOM 0 H LEU A 52 1.073 -9.279 11.829 1.00 0.00 H new ATOM 0 HA LEU A 52 1.282 -8.677 14.689 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.740 -11.115 14.892 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.491 -10.175 14.071 1.00 0.00 H new ATOM 0 HG LEU A 52 1.559 -11.480 12.345 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.372 -13.638 12.419 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.110 -13.238 13.987 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.641 -13.031 13.750 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.415 -11.847 10.916 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.457 -11.170 12.189 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.249 -10.139 11.386 1.00 0.00 H new ATOM 818 N LYS A 53 3.688 -9.854 12.946 1.00 0.00 N ATOM 819 CA LYS A 53 5.076 -10.301 12.974 1.00 0.00 C ATOM 820 C LYS A 53 6.037 -9.115 12.996 1.00 0.00 C ATOM 821 O LYS A 53 7.171 -9.233 13.459 1.00 0.00 O ATOM 822 CB LYS A 53 5.372 -11.190 11.765 1.00 0.00 C ATOM 823 CG LYS A 53 5.251 -10.468 10.433 1.00 0.00 C ATOM 824 CD LYS A 53 4.882 -11.426 9.312 1.00 0.00 C ATOM 825 CE LYS A 53 3.375 -11.582 9.186 1.00 0.00 C ATOM 826 NZ LYS A 53 2.894 -12.851 9.800 1.00 0.00 N ATOM 0 H LYS A 53 3.365 -9.537 12.032 1.00 0.00 H new ATOM 0 HA LYS A 53 5.224 -10.878 13.887 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.380 -11.593 11.860 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.687 -12.038 11.772 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.495 -9.687 10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.195 -9.977 10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.291 -11.060 8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.335 -12.399 9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.881 -10.737 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.095 -11.559 8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.937 -13.064 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.536 -13.627 9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.872 -12.750 10.835 1.00 0.00 H new ATOM 840 N GLY A 54 5.579 -7.971 12.494 1.00 0.00 N ATOM 841 CA GLY A 54 6.417 -6.786 12.469 1.00 0.00 C ATOM 842 C GLY A 54 5.864 -5.700 11.567 1.00 0.00 C ATOM 843 O GLY A 54 4.981 -5.954 10.749 1.00 0.00 O ATOM 0 H GLY A 54 4.645 -7.844 12.105 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.518 -6.396 13.482 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.417 -7.059 12.131 1.00 0.00 H new ATOM 847 N ILE A 55 6.384 -4.486 11.718 1.00 0.00 N ATOM 848 CA ILE A 55 5.934 -3.357 10.911 1.00 0.00 C ATOM 849 C ILE A 55 6.789 -3.199 9.658 1.00 0.00 C ATOM 850 O ILE A 55 7.967 -3.556 9.648 1.00 0.00 O ATOM 851 CB ILE A 55 5.972 -2.040 11.710 1.00 0.00 C ATOM 852 CG1 ILE A 55 5.375 -2.243 13.104 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.226 -0.945 10.963 1.00 0.00 C ATOM 854 CD1 ILE A 55 3.935 -2.706 13.083 1.00 0.00 C ATOM 0 H ILE A 55 7.116 -4.259 12.391 1.00 0.00 H new ATOM 0 HA ILE A 55 4.904 -3.569 10.623 1.00 0.00 H new ATOM 0 HB ILE A 55 7.012 -1.733 11.823 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.976 -2.975 13.645 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.439 -1.306 13.658 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.262 -0.021 11.540 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.693 -0.784 9.991 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.187 -1.244 10.821 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.577 -2.829 14.105 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.322 -1.964 12.571 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.867 -3.659 12.558 1.00 0.00 H new ATOM 866 N GLU A 56 6.188 -2.658 8.603 1.00 0.00 N ATOM 867 CA GLU A 56 6.892 -2.448 7.344 1.00 0.00 C ATOM 868 C GLU A 56 6.570 -1.074 6.765 1.00 0.00 C ATOM 869 O GLU A 56 5.404 -0.722 6.590 1.00 0.00 O ATOM 870 CB GLU A 56 6.519 -3.538 6.337 1.00 0.00 C ATOM 871 CG GLU A 56 6.812 -4.947 6.828 1.00 0.00 C ATOM 872 CD GLU A 56 7.919 -5.621 6.041 1.00 0.00 C ATOM 873 OE1 GLU A 56 7.698 -5.931 4.851 1.00 0.00 O ATOM 874 OE2 GLU A 56 9.007 -5.840 6.614 1.00 0.00 O ATOM 0 H GLU A 56 5.214 -2.357 8.596 1.00 0.00 H new ATOM 0 HA GLU A 56 7.963 -2.499 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.457 -3.457 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.064 -3.365 5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.091 -4.910 7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.905 -5.548 6.759 1.00 0.00 H new ATOM 881 N GLU A 57 7.611 -0.302 6.471 1.00 0.00 N ATOM 882 CA GLU A 57 7.437 1.035 5.914 1.00 0.00 C ATOM 883 C GLU A 57 8.020 1.122 4.507 1.00 0.00 C ATOM 884 O GLU A 57 9.238 1.162 4.329 1.00 0.00 O ATOM 885 CB GLU A 57 8.098 2.076 6.819 1.00 0.00 C ATOM 886 CG GLU A 57 7.351 3.398 6.872 1.00 0.00 C ATOM 887 CD GLU A 57 8.239 4.552 7.297 1.00 0.00 C ATOM 888 OE1 GLU A 57 9.130 4.935 6.511 1.00 0.00 O ATOM 889 OE2 GLU A 57 8.042 5.071 8.415 1.00 0.00 O ATOM 0 H GLU A 57 8.583 -0.579 6.609 1.00 0.00 H new ATOM 0 HA GLU A 57 6.368 1.240 5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.175 1.671 7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.114 2.256 6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.928 3.612 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.516 3.312 7.567 1.00 0.00 H new ATOM 896 N TYR A 58 7.141 1.154 3.510 1.00 0.00 N ATOM 897 CA TYR A 58 7.563 1.240 2.117 1.00 0.00 C ATOM 898 C TYR A 58 7.588 2.690 1.644 1.00 0.00 C ATOM 899 O TYR A 58 7.279 3.607 2.405 1.00 0.00 O ATOM 900 CB TYR A 58 6.629 0.419 1.227 1.00 0.00 C ATOM 901 CG TYR A 58 6.628 -1.059 1.546 1.00 0.00 C ATOM 902 CD1 TYR A 58 6.113 -1.530 2.747 1.00 0.00 C ATOM 903 CD2 TYR A 58 7.142 -1.983 0.645 1.00 0.00 C ATOM 904 CE1 TYR A 58 6.111 -2.880 3.042 1.00 0.00 C ATOM 905 CE2 TYR A 58 7.143 -3.335 0.932 1.00 0.00 C ATOM 906 CZ TYR A 58 6.626 -3.778 2.131 1.00 0.00 C ATOM 907 OH TYR A 58 6.626 -5.123 2.420 1.00 0.00 O ATOM 0 H TYR A 58 6.130 1.122 3.642 1.00 0.00 H new ATOM 0 HA TYR A 58 8.572 0.835 2.045 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.614 0.804 1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.920 0.557 0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.707 -0.830 3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.547 -1.639 -0.295 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.708 -3.230 3.981 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.547 -4.041 0.221 1.00 0.00 H new ATOM 0 HH TYR A 58 7.016 -5.267 3.308 1.00 0.00 H new ATOM 917 N THR A 59 7.957 2.889 0.384 1.00 0.00 N ATOM 918 CA THR A 59 8.022 4.228 -0.193 1.00 0.00 C ATOM 919 C THR A 59 7.477 4.233 -1.617 1.00 0.00 C ATOM 920 O THR A 59 7.865 3.407 -2.443 1.00 0.00 O ATOM 921 CB THR A 59 9.463 4.740 -0.184 1.00 0.00 C ATOM 922 OG1 THR A 59 9.990 4.732 1.131 1.00 0.00 O ATOM 923 CG2 THR A 59 9.603 6.146 -0.726 1.00 0.00 C ATOM 0 H THR A 59 8.216 2.140 -0.258 1.00 0.00 H new ATOM 0 HA THR A 59 7.405 4.890 0.415 1.00 0.00 H new ATOM 0 HB THR A 59 10.014 4.061 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.099 5.654 1.446 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.650 6.447 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.251 6.175 -1.757 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.008 6.830 -0.121 1.00 0.00 H new ATOM 931 N ILE A 60 6.577 5.169 -1.898 1.00 0.00 N ATOM 932 CA ILE A 60 5.980 5.281 -3.223 1.00 0.00 C ATOM 933 C ILE A 60 6.918 5.992 -4.192 1.00 0.00 C ATOM 934 O ILE A 60 7.289 7.146 -3.978 1.00 0.00 O ATOM 935 CB ILE A 60 4.641 6.041 -3.177 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.754 5.494 -2.057 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.930 5.942 -4.519 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.463 6.263 -1.880 1.00 0.00 C ATOM 0 H ILE A 60 6.245 5.861 -1.226 1.00 0.00 H new ATOM 0 HA ILE A 60 5.801 4.264 -3.572 1.00 0.00 H new ATOM 0 HB ILE A 60 4.845 7.092 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.520 4.450 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.311 5.514 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.985 6.484 -4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.558 6.376 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.736 4.895 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.884 5.820 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.688 7.302 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.885 6.221 -2.803 1.00 0.00 H new ATOM 950 N LEU A 61 7.298 5.296 -5.258 1.00 0.00 N ATOM 951 CA LEU A 61 8.191 5.861 -6.262 1.00 0.00 C ATOM 952 C LEU A 61 7.422 6.742 -7.242 1.00 0.00 C ATOM 953 O LEU A 61 7.981 7.669 -7.828 1.00 0.00 O ATOM 954 CB LEU A 61 8.911 4.744 -7.021 1.00 0.00 C ATOM 955 CG LEU A 61 9.745 3.803 -6.150 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.461 2.774 -7.011 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.743 4.594 -5.319 1.00 0.00 C ATOM 0 H LEU A 61 7.001 4.339 -5.449 1.00 0.00 H new ATOM 0 HA LEU A 61 8.929 6.478 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.169 4.154 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.563 5.195 -7.769 1.00 0.00 H new ATOM 0 HG LEU A 61 9.075 3.275 -5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.049 2.113 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.727 2.187 -7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.121 3.283 -7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.328 3.910 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.409 5.148 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.208 5.292 -4.675 1.00 0.00 H new ATOM 969 N GLN A 62 6.137 6.446 -7.416 1.00 0.00 N ATOM 970 CA GLN A 62 5.292 7.211 -8.325 1.00 0.00 C ATOM 971 C GLN A 62 3.856 6.698 -8.291 1.00 0.00 C ATOM 972 O GLN A 62 3.583 5.620 -7.762 1.00 0.00 O ATOM 973 CB GLN A 62 5.841 7.133 -9.752 1.00 0.00 C ATOM 974 CG GLN A 62 5.844 8.470 -10.476 1.00 0.00 C ATOM 975 CD GLN A 62 7.244 9.008 -10.702 1.00 0.00 C ATOM 976 OE1 GLN A 62 7.625 10.035 -10.141 1.00 0.00 O ATOM 977 NE2 GLN A 62 8.019 8.313 -11.527 1.00 0.00 N ATOM 0 H GLN A 62 5.659 5.682 -6.939 1.00 0.00 H new ATOM 0 HA GLN A 62 5.296 8.251 -7.999 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.859 6.744 -9.720 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.245 6.421 -10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.342 8.360 -11.437 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.270 9.194 -9.897 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.662 7.467 -11.971 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.971 8.626 -11.717 1.00 0.00 H new ATOM 986 N ILE A 63 2.941 7.476 -8.859 1.00 0.00 N ATOM 987 CA ILE A 63 1.533 7.101 -8.895 1.00 0.00 C ATOM 988 C ILE A 63 1.051 6.910 -10.331 1.00 0.00 C ATOM 989 O ILE A 63 0.589 7.856 -10.969 1.00 0.00 O ATOM 990 CB ILE A 63 0.652 8.160 -8.205 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.208 8.493 -6.819 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.785 7.670 -8.100 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.284 7.297 -5.895 1.00 0.00 C ATOM 0 H ILE A 63 3.150 8.371 -9.301 1.00 0.00 H new ATOM 0 HA ILE A 63 1.443 6.158 -8.356 1.00 0.00 H new ATOM 0 HB ILE A 63 0.662 9.067 -8.809 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.205 8.921 -6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.582 9.258 -6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.394 8.430 -7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.178 7.478 -9.098 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.814 6.750 -7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.687 7.607 -4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.286 6.882 -5.754 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.934 6.539 -6.333 1.00 0.00 H new ATOM 1005 N PRO A 64 1.152 5.678 -10.860 1.00 0.00 N ATOM 1006 CA PRO A 64 0.724 5.370 -12.229 1.00 0.00 C ATOM 1007 C PRO A 64 -0.794 5.383 -12.385 1.00 0.00 C ATOM 1008 O PRO A 64 -1.312 5.354 -13.502 1.00 0.00 O ATOM 1009 CB PRO A 64 1.272 3.960 -12.460 1.00 0.00 C ATOM 1010 CG PRO A 64 1.352 3.360 -11.100 1.00 0.00 C ATOM 1011 CD PRO A 64 1.692 4.492 -10.169 1.00 0.00 C ATOM 0 HA PRO A 64 1.086 6.109 -12.944 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.616 3.381 -13.110 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.251 3.989 -12.939 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.406 2.896 -10.822 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.113 2.580 -11.061 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.236 4.356 -9.188 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.768 4.574 -10.012 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.504 5.428 -11.262 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.962 5.445 -11.279 1.00 0.00 C ATOM 1021 C ALA A 65 -3.519 4.165 -11.895 1.00 0.00 C ATOM 1022 O ALA A 65 -4.349 4.209 -12.802 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.467 6.664 -12.039 1.00 0.00 C ATOM 0 H ALA A 65 -1.093 5.453 -10.329 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.313 5.503 -10.249 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.557 6.664 -12.044 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.106 7.571 -11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.100 6.631 -13.065 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.055 3.024 -11.393 1.00 0.00 N ATOM 1030 CA LEU A 66 -3.507 1.731 -11.893 1.00 0.00 C ATOM 1031 C LEU A 66 -4.488 1.084 -10.921 1.00 0.00 C ATOM 1032 O LEU A 66 -4.539 1.442 -9.744 1.00 0.00 O ATOM 1033 CB LEU A 66 -2.311 0.803 -12.120 1.00 0.00 C ATOM 1034 CG LEU A 66 -1.085 1.470 -12.744 1.00 0.00 C ATOM 1035 CD1 LEU A 66 0.155 0.618 -12.526 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -1.311 1.717 -14.228 1.00 0.00 C ATOM 0 H LEU A 66 -2.367 2.969 -10.642 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.018 1.895 -12.842 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.022 0.367 -11.164 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.625 -0.019 -12.763 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.930 2.432 -12.255 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.018 1.109 -12.977 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.327 0.492 -11.457 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.011 -0.359 -12.988 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.429 2.192 -14.656 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.492 0.767 -14.731 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.175 2.369 -14.361 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.266 0.130 -11.421 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.247 -0.567 -10.597 1.00 0.00 C ATOM 1050 C LYS A 67 -5.630 -1.799 -9.943 1.00 0.00 C ATOM 1051 O LYS A 67 -5.535 -1.883 -8.719 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.456 -0.973 -11.441 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.785 -0.807 -10.722 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.848 -1.729 -11.296 1.00 0.00 C ATOM 1055 CE LYS A 67 -11.208 -1.471 -10.667 1.00 0.00 C ATOM 1056 NZ LYS A 67 -11.254 -1.906 -9.244 1.00 0.00 N ATOM 0 H LYS A 67 -5.236 -0.178 -12.393 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.574 0.113 -9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.469 -0.376 -12.353 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.344 -2.014 -11.744 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.654 -1.017 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.117 0.228 -10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.912 -1.585 -12.375 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.560 -2.767 -11.129 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.441 -0.408 -10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.976 -1.999 -11.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.917 -2.701 -9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.305 -2.207 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.571 -1.114 -8.649 1.00 0.00 H new ATOM 1070 N ASN A 68 -5.213 -2.755 -10.768 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.605 -3.983 -10.269 1.00 0.00 C ATOM 1072 C ASN A 68 -3.243 -4.219 -10.914 1.00 0.00 C ATOM 1073 O ASN A 68 -3.152 -4.773 -12.010 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.523 -5.177 -10.540 1.00 0.00 C ATOM 1075 CG ASN A 68 -6.661 -5.270 -9.543 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -7.253 -4.260 -9.162 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -6.974 -6.488 -9.114 1.00 0.00 N ATOM 0 H ASN A 68 -5.285 -2.703 -11.784 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.464 -3.877 -9.193 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.932 -5.096 -11.547 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.938 -6.096 -10.506 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.731 -6.613 -8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.457 -7.298 -9.456 1.00 0.00 H new ATOM 1084 N VAL A 69 -2.187 -3.794 -10.229 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.830 -3.960 -10.736 1.00 0.00 C ATOM 1086 C VAL A 69 -0.340 -5.393 -10.530 1.00 0.00 C ATOM 1087 O VAL A 69 -0.111 -5.820 -9.398 1.00 0.00 O ATOM 1088 CB VAL A 69 0.153 -2.994 -10.047 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.488 -2.980 -10.777 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.436 -1.593 -9.972 1.00 0.00 C ATOM 0 H VAL A 69 -2.245 -3.332 -9.321 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.862 -3.734 -11.802 1.00 0.00 H new ATOM 0 HB VAL A 69 0.324 -3.345 -9.029 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.169 -2.292 -10.276 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.916 -3.983 -10.772 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.336 -2.655 -11.806 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.273 -0.926 -9.482 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.640 -1.230 -10.979 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.364 -1.619 -9.401 1.00 0.00 H new ATOM 1100 N PRO A 70 -0.171 -6.161 -11.623 1.00 0.00 N ATOM 1101 CA PRO A 70 0.294 -7.550 -11.543 1.00 0.00 C ATOM 1102 C PRO A 70 1.737 -7.650 -11.062 1.00 0.00 C ATOM 1103 O PRO A 70 2.311 -6.673 -10.581 1.00 0.00 O ATOM 1104 CB PRO A 70 0.173 -8.055 -12.983 1.00 0.00 C ATOM 1105 CG PRO A 70 0.234 -6.828 -13.824 1.00 0.00 C ATOM 1106 CD PRO A 70 -0.418 -5.742 -13.015 1.00 0.00 C ATOM 0 HA PRO A 70 -0.286 -8.131 -10.826 1.00 0.00 H new ATOM 0 HB2 PRO A 70 0.981 -8.744 -13.230 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.763 -8.593 -13.136 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.265 -6.570 -14.065 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.287 -6.976 -14.770 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.020 -4.766 -13.225 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.484 -5.666 -13.229 1.00 0.00 H new ATOM 1114 N ARG A 71 2.319 -8.837 -11.194 1.00 0.00 N ATOM 1115 CA ARG A 71 3.696 -9.065 -10.772 1.00 0.00 C ATOM 1116 C ARG A 71 4.669 -8.786 -11.915 1.00 0.00 C ATOM 1117 O ARG A 71 5.516 -9.618 -12.242 1.00 0.00 O ATOM 1118 CB ARG A 71 3.868 -10.501 -10.274 1.00 0.00 C ATOM 1119 CG ARG A 71 3.167 -10.775 -8.954 1.00 0.00 C ATOM 1120 CD ARG A 71 2.913 -12.261 -8.753 1.00 0.00 C ATOM 1121 NE ARG A 71 3.265 -12.698 -7.404 1.00 0.00 N ATOM 1122 CZ ARG A 71 2.837 -13.834 -6.857 1.00 0.00 C ATOM 1123 NH1 ARG A 71 2.041 -14.648 -7.538 1.00 0.00 N ATOM 1124 NH2 ARG A 71 3.207 -14.156 -5.625 1.00 0.00 N ATOM 0 H ARG A 71 1.858 -9.656 -11.590 1.00 0.00 H new ATOM 0 HA ARG A 71 3.919 -8.378 -9.956 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.484 -11.187 -11.029 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.931 -10.713 -10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.775 -10.395 -8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.220 -10.236 -8.926 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.862 -12.478 -8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.492 -12.830 -9.481 1.00 0.00 H new ATOM 0 HE ARG A 71 3.874 -12.098 -6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.754 -14.405 -8.486 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.716 -15.517 -7.114 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.819 -13.534 -5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.880 -15.026 -5.205 1.00 0.00 H new ATOM 1138 N LYS A 72 4.541 -7.609 -12.519 1.00 0.00 N ATOM 1139 CA LYS A 72 5.408 -7.219 -13.624 1.00 0.00 C ATOM 1140 C LYS A 72 5.935 -5.801 -13.428 1.00 0.00 C ATOM 1141 O LYS A 72 7.145 -5.576 -13.401 1.00 0.00 O ATOM 1142 CB LYS A 72 4.653 -7.318 -14.951 1.00 0.00 C ATOM 1143 CG LYS A 72 4.827 -8.657 -15.652 1.00 0.00 C ATOM 1144 CD LYS A 72 5.182 -8.479 -17.120 1.00 0.00 C ATOM 1145 CE LYS A 72 5.541 -9.805 -17.772 1.00 0.00 C ATOM 1146 NZ LYS A 72 4.465 -10.284 -18.684 1.00 0.00 N ATOM 0 H LYS A 72 3.845 -6.909 -12.262 1.00 0.00 H new ATOM 0 HA LYS A 72 6.257 -7.902 -13.646 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.592 -7.148 -14.769 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.995 -6.523 -15.614 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.610 -9.230 -15.155 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.907 -9.235 -15.567 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.340 -8.030 -17.647 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.021 -7.789 -17.211 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.469 -9.695 -18.332 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.722 -10.552 -16.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.748 -11.190 -19.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.585 -10.414 -18.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.310 -9.583 -19.436 1.00 0.00 H new ATOM 1160 N ASP A 73 5.018 -4.848 -13.291 1.00 0.00 N ATOM 1161 CA ASP A 73 5.391 -3.451 -13.097 1.00 0.00 C ATOM 1162 C ASP A 73 5.073 -2.993 -11.677 1.00 0.00 C ATOM 1163 O ASP A 73 4.852 -1.806 -11.433 1.00 0.00 O ATOM 1164 CB ASP A 73 4.663 -2.563 -14.108 1.00 0.00 C ATOM 1165 CG ASP A 73 5.298 -2.613 -15.483 1.00 0.00 C ATOM 1166 OD1 ASP A 73 5.180 -3.660 -16.154 1.00 0.00 O ATOM 1167 OD2 ASP A 73 5.912 -1.605 -15.890 1.00 0.00 O ATOM 0 H ASP A 73 4.012 -5.017 -13.311 1.00 0.00 H new ATOM 0 HA ASP A 73 6.466 -3.363 -13.254 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.622 -2.877 -14.180 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.661 -1.534 -13.749 1.00 0.00 H new ATOM 1172 N THR A 74 5.053 -3.938 -10.743 1.00 0.00 N ATOM 1173 CA THR A 74 4.765 -3.628 -9.348 1.00 0.00 C ATOM 1174 C THR A 74 6.052 -3.540 -8.534 1.00 0.00 C ATOM 1175 O THR A 74 6.057 -3.808 -7.333 1.00 0.00 O ATOM 1176 CB THR A 74 3.840 -4.689 -8.749 1.00 0.00 C ATOM 1177 OG1 THR A 74 3.480 -4.348 -7.422 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.456 -6.071 -8.718 1.00 0.00 C ATOM 0 H THR A 74 5.233 -4.925 -10.927 1.00 0.00 H new ATOM 0 HA THR A 74 4.267 -2.659 -9.312 1.00 0.00 H new ATOM 0 HB THR A 74 2.967 -4.713 -9.401 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.285 -4.117 -6.914 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.748 -6.775 -8.282 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.700 -6.384 -9.733 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.365 -6.051 -8.117 1.00 0.00 H new ATOM 1186 N HIS A 75 7.141 -3.162 -9.196 1.00 0.00 N ATOM 1187 CA HIS A 75 8.434 -3.038 -8.533 1.00 0.00 C ATOM 1188 C HIS A 75 9.081 -1.685 -8.828 1.00 0.00 C ATOM 1189 O HIS A 75 10.268 -1.487 -8.566 1.00 0.00 O ATOM 1190 CB HIS A 75 9.366 -4.168 -8.977 1.00 0.00 C ATOM 1191 CG HIS A 75 10.206 -4.721 -7.868 1.00 0.00 C ATOM 1192 ND1 HIS A 75 10.748 -3.937 -6.871 1.00 0.00 N ATOM 1193 CD2 HIS A 75 10.598 -5.990 -7.601 1.00 0.00 C ATOM 1194 CE1 HIS A 75 11.436 -4.699 -6.039 1.00 0.00 C ATOM 1195 NE2 HIS A 75 11.360 -5.948 -6.460 1.00 0.00 N ATOM 0 H HIS A 75 7.154 -2.936 -10.191 1.00 0.00 H new ATOM 0 HA HIS A 75 8.267 -3.109 -7.458 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.769 -4.973 -9.406 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.019 -3.800 -9.768 1.00 0.00 H new ATOM 0 HD1 HIS A 75 10.635 -2.927 -6.789 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.356 -6.870 -8.178 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.969 -4.358 -5.164 1.00 0.00 H new ATOM 1204 N LEU A 76 8.297 -0.757 -9.370 1.00 0.00 N ATOM 1205 CA LEU A 76 8.802 0.573 -9.694 1.00 0.00 C ATOM 1206 C LEU A 76 7.861 1.663 -9.180 1.00 0.00 C ATOM 1207 O LEU A 76 8.023 2.839 -9.509 1.00 0.00 O ATOM 1208 CB LEU A 76 8.988 0.714 -11.207 1.00 0.00 C ATOM 1209 CG LEU A 76 10.405 0.437 -11.713 1.00 0.00 C ATOM 1210 CD1 LEU A 76 10.364 -0.220 -13.084 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.214 1.725 -11.761 1.00 0.00 C ATOM 0 H LEU A 76 7.312 -0.901 -9.593 1.00 0.00 H new ATOM 0 HA LEU A 76 9.766 0.695 -9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.300 0.033 -11.707 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.705 1.725 -11.500 1.00 0.00 H new ATOM 0 HG LEU A 76 10.891 -0.249 -11.019 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.381 -0.409 -13.427 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.821 -1.163 -13.019 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.860 0.441 -13.789 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.219 1.510 -12.123 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.730 2.434 -12.433 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.273 2.155 -10.761 1.00 0.00 H new ATOM 1223 N TYR A 77 6.877 1.270 -8.374 1.00 0.00 N ATOM 1224 CA TYR A 77 5.917 2.220 -7.821 1.00 0.00 C ATOM 1225 C TYR A 77 6.005 2.267 -6.298 1.00 0.00 C ATOM 1226 O TYR A 77 5.717 3.293 -5.682 1.00 0.00 O ATOM 1227 CB TYR A 77 4.496 1.847 -8.250 1.00 0.00 C ATOM 1228 CG TYR A 77 4.308 1.806 -9.749 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.640 2.898 -10.541 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.799 0.674 -10.373 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.469 2.864 -11.912 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.626 0.632 -11.744 1.00 0.00 C ATOM 1233 CZ TYR A 77 3.962 1.729 -12.508 1.00 0.00 C ATOM 1234 OH TYR A 77 3.791 1.691 -13.873 1.00 0.00 O ATOM 0 H TYR A 77 6.724 0.302 -8.090 1.00 0.00 H new ATOM 0 HA TYR A 77 6.161 3.209 -8.209 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.244 0.872 -7.834 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.796 2.566 -7.824 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.038 3.788 -10.078 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.534 -0.187 -9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.731 3.722 -12.513 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.230 -0.256 -12.214 1.00 0.00 H new ATOM 0 HH TYR A 77 3.426 0.820 -14.133 1.00 0.00 H new ATOM 1244 N ILE A 78 6.403 1.150 -5.695 1.00 0.00 N ATOM 1245 CA ILE A 78 6.528 1.067 -4.245 1.00 0.00 C ATOM 1246 C ILE A 78 7.599 0.057 -3.844 1.00 0.00 C ATOM 1247 O ILE A 78 7.716 -1.011 -4.445 1.00 0.00 O ATOM 1248 CB ILE A 78 5.188 0.676 -3.588 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.320 0.675 -2.062 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.723 -0.685 -4.090 1.00 0.00 C ATOM 1251 CD1 ILE A 78 4.041 0.304 -1.345 1.00 0.00 C ATOM 0 H ILE A 78 6.644 0.291 -6.189 1.00 0.00 H new ATOM 0 HA ILE A 78 6.819 2.056 -3.892 1.00 0.00 H new ATOM 0 HB ILE A 78 4.438 1.416 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.105 -0.025 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.638 1.664 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.776 -0.944 -3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.589 -0.648 -5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.471 -1.439 -3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.209 0.324 -0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.259 1.018 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.733 -0.697 -1.646 1.00 0.00 H new ATOM 1263 N ALA A 79 8.379 0.402 -2.825 1.00 0.00 N ATOM 1264 CA ALA A 79 9.440 -0.475 -2.344 1.00 0.00 C ATOM 1265 C ALA A 79 9.682 -0.277 -0.850 1.00 0.00 C ATOM 1266 O ALA A 79 9.446 0.806 -0.314 1.00 0.00 O ATOM 1267 CB ALA A 79 10.722 -0.228 -3.126 1.00 0.00 C ATOM 0 H ALA A 79 8.296 1.282 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 79 9.124 -1.507 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.506 -0.889 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.547 -0.427 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.032 0.809 -2.998 1.00 0.00 H new ATOM 1273 N PRO A 80 10.159 -1.324 -0.157 1.00 0.00 N ATOM 1274 CA PRO A 80 10.434 -1.259 1.283 1.00 0.00 C ATOM 1275 C PRO A 80 11.606 -0.339 1.605 1.00 0.00 C ATOM 1276 O PRO A 80 12.725 -0.556 1.139 1.00 0.00 O ATOM 1277 CB PRO A 80 10.772 -2.706 1.650 1.00 0.00 C ATOM 1278 CG PRO A 80 11.247 -3.320 0.379 1.00 0.00 C ATOM 1279 CD PRO A 80 10.469 -2.652 -0.719 1.00 0.00 C ATOM 0 HA PRO A 80 9.590 -0.853 1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.541 -2.749 2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.899 -3.229 2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.318 -3.166 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 80 11.077 -4.397 0.378 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.053 -2.574 -1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.563 -3.206 -0.964 1.00 0.00 H new ATOM 1287 N LYS A 81 11.343 0.690 2.405 1.00 0.00 N ATOM 1288 CA LYS A 81 12.377 1.643 2.789 1.00 0.00 C ATOM 1289 C LYS A 81 13.520 0.943 3.518 1.00 0.00 C ATOM 1290 O LYS A 81 13.306 -0.035 4.234 1.00 0.00 O ATOM 1291 CB LYS A 81 11.784 2.741 3.676 1.00 0.00 C ATOM 1292 CG LYS A 81 12.244 4.141 3.300 1.00 0.00 C ATOM 1293 CD LYS A 81 12.775 4.899 4.506 1.00 0.00 C ATOM 1294 CE LYS A 81 13.247 6.293 4.126 1.00 0.00 C ATOM 1295 NZ LYS A 81 13.015 7.279 5.219 1.00 0.00 N ATOM 0 H LYS A 81 10.423 0.884 2.799 1.00 0.00 H new ATOM 0 HA LYS A 81 12.775 2.096 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.697 2.697 3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.055 2.545 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.022 4.077 2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.412 4.692 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.994 4.972 5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.600 4.343 4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.310 6.263 3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.725 6.620 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.580 8.134 5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.007 7.531 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.296 6.861 6.129 1.00 0.00 H new ATOM 1309 N THR A 82 14.734 1.450 3.330 1.00 0.00 N ATOM 1310 CA THR A 82 15.910 0.873 3.970 1.00 0.00 C ATOM 1311 C THR A 82 17.090 1.839 3.911 1.00 0.00 C ATOM 1312 O THR A 82 17.100 2.774 3.111 1.00 0.00 O ATOM 1313 CB THR A 82 16.284 -0.450 3.299 1.00 0.00 C ATOM 1314 OG1 THR A 82 17.540 -0.910 3.764 1.00 0.00 O ATOM 1315 CG2 THR A 82 16.358 -0.356 1.791 1.00 0.00 C ATOM 0 H THR A 82 14.929 2.259 2.740 1.00 0.00 H new ATOM 0 HA THR A 82 15.669 0.686 5.016 1.00 0.00 H new ATOM 0 HB THR A 82 15.487 -1.144 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.761 -1.758 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 82 16.628 -1.328 1.379 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.388 -0.051 1.397 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.111 0.379 1.509 1.00 0.00 H new ATOM 1323 N LYS A 83 18.083 1.605 4.764 1.00 0.00 N ATOM 1324 CA LYS A 83 19.268 2.454 4.809 1.00 0.00 C ATOM 1325 C LYS A 83 20.537 1.613 4.902 1.00 0.00 C ATOM 1326 O LYS A 83 20.867 1.084 5.964 1.00 0.00 O ATOM 1327 CB LYS A 83 19.188 3.413 5.999 1.00 0.00 C ATOM 1328 CG LYS A 83 17.963 4.312 5.975 1.00 0.00 C ATOM 1329 CD LYS A 83 17.502 4.661 7.381 1.00 0.00 C ATOM 1330 CE LYS A 83 15.998 4.873 7.438 1.00 0.00 C ATOM 1331 NZ LYS A 83 15.612 6.244 7.004 1.00 0.00 N ATOM 0 H LYS A 83 18.090 0.835 5.433 1.00 0.00 H new ATOM 0 HA LYS A 83 19.305 3.033 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.185 2.834 6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 83 20.084 4.034 6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 83 18.192 5.227 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.155 3.814 5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.784 3.862 8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 83 18.011 5.564 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.504 4.139 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.646 4.702 8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.735 6.527 7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.372 6.912 7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.459 6.252 5.975 1.00 0.00 H new ATOM 1345 N GLU A 84 21.246 1.495 3.784 1.00 0.00 N ATOM 1346 CA GLU A 84 22.479 0.718 3.740 1.00 0.00 C ATOM 1347 C GLU A 84 23.698 1.619 3.910 1.00 0.00 C ATOM 1348 O GLU A 84 23.542 2.852 3.787 1.00 0.00 O ATOM 1349 CB GLU A 84 22.576 -0.047 2.418 1.00 0.00 C ATOM 1350 CG GLU A 84 21.527 -1.137 2.268 1.00 0.00 C ATOM 1351 CD GLU A 84 21.030 -1.275 0.842 1.00 0.00 C ATOM 1352 OE1 GLU A 84 21.833 -1.667 -0.031 1.00 0.00 O ATOM 1353 OE2 GLU A 84 19.838 -0.992 0.599 1.00 0.00 O ATOM 0 H GLU A 84 20.988 1.927 2.897 1.00 0.00 H new ATOM 0 HA GLU A 84 22.460 0.006 4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 84 22.477 0.657 1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 84 23.567 -0.494 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 84 21.947 -2.088 2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 84 20.684 -0.918 2.923 1.00 0.00 H new TER 1360 GLU A 84