USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 577 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 55 THR OG1 : rot -177:sc= 1.11 USER MOD Set 1.2: A 57 SER OG : rot -75:sc= 1.01 USER MOD Set 2.1: A 27 LYS NZ :NH3+ -161:sc= -3.27! (180deg=-4.5!) USER MOD Set 2.2: A 41 GLN : amide:sc= -10.3! C(o=-14!,f=-27!) USER MOD Set 3.1: A 25 ASN :FLIP amide:sc= -0.321 F(o=-2,f=-1.1) USER MOD Set 3.2: A 29 LYS NZ :NH3+ -124:sc= -0.801 (180deg=-1.95!) USER MOD Single : A 1 MET CE :methyl -159:sc= 0 (180deg=-0.412) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0645! (180deg=-0.966!) USER MOD Single : A 2 GLN : amide:sc= -6.16! C(o=-6.2!,f=-9.4!) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -2.16! (180deg=-2.35!) USER MOD Single : A 7 THR OG1 : rot -85:sc= 1.26 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= -0.283 (180deg=-0.74) USER MOD Single : A 12 THR OG1 : rot -140:sc= -2.36! USER MOD Single : A 14 THR OG1 : rot -71:sc= 2.3 USER MOD Single : A 19 SER OG : rot 180:sc= -2.4! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0074 USER MOD Single : A 28 SER OG : rot 32:sc= 1.24 USER MOD Single : A 31 GLN :FLIP amide:sc= -3.2! C(o=-6.4!,f=-3.2!) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.338 (180deg=-0.81) USER MOD Single : A 40 GLN : amide:sc= -3.9! C(o=-3.9!,f=-6.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= -0.225 (180deg=-0.225) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.95! C(o=-4.1!,f=-2.9!) USER MOD Single : A 59 TYR OH : rot -141:sc= 0.51 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.498 F(o=-2.6!,f=-0.5) USER MOD Single : A 62 GLN : amide:sc= -1.72 X(o=-1.7,f=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ -112:sc= -1.12 (180deg=-3.47!) USER MOD Single : A 65 SER OG : rot 84:sc= -0.15 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 150:sc= -1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.173 3.709 2.764 1.00 0.30 N ATOM 2 CA MET A 1 12.987 3.495 1.309 1.00 0.24 C ATOM 3 C MET A 1 11.850 4.454 0.796 1.00 0.24 C ATOM 4 O MET A 1 11.743 5.540 1.356 1.00 0.42 O ATOM 5 CB MET A 1 12.707 1.966 1.151 1.00 0.26 C ATOM 6 CG MET A 1 13.930 1.104 0.857 1.00 0.37 C ATOM 7 SD MET A 1 14.854 1.661 -0.588 1.00 0.64 S ATOM 8 CE MET A 1 16.265 0.557 -0.530 1.00 1.50 C ATOM 0 H1 MET A 1 14.095 3.327 3.056 1.00 0.30 H new ATOM 0 H2 MET A 1 13.139 4.727 2.972 1.00 0.30 H new ATOM 0 H3 MET A 1 12.416 3.223 3.286 1.00 0.30 H new ATOM 0 HA MET A 1 13.850 3.745 0.692 1.00 0.24 H new ATOM 0 HB2 MET A 1 12.239 1.603 2.066 1.00 0.26 H new ATOM 0 HB3 MET A 1 11.984 1.827 0.347 1.00 0.26 H new ATOM 0 HG2 MET A 1 14.588 1.108 1.726 1.00 0.37 H new ATOM 0 HG3 MET A 1 13.612 0.073 0.703 1.00 0.37 H new ATOM 0 HE1 MET A 1 17.089 0.990 -1.097 1.00 1.50 H new ATOM 0 HE2 MET A 1 16.573 0.414 0.506 1.00 1.50 H new ATOM 0 HE3 MET A 1 15.992 -0.405 -0.963 1.00 1.50 H new ATOM 20 N GLN A 2 10.873 4.061 -0.072 1.00 0.21 N ATOM 21 CA GLN A 2 9.880 5.056 -0.577 1.00 0.25 C ATOM 22 C GLN A 2 9.060 4.411 -1.717 1.00 0.19 C ATOM 23 O GLN A 2 9.628 3.825 -2.654 1.00 0.21 O ATOM 24 CB GLN A 2 10.457 6.463 -0.979 1.00 0.44 C ATOM 25 CG GLN A 2 11.573 6.516 -2.041 1.00 1.00 C ATOM 26 CD GLN A 2 12.229 5.179 -2.332 1.00 2.14 C ATOM 27 OE1 GLN A 2 11.833 4.465 -3.248 1.00 3.00 O ATOM 28 NE2 GLN A 2 13.258 4.846 -1.563 1.00 2.81 N ATOM 0 H GLN A 2 10.753 3.111 -0.423 1.00 0.21 H new ATOM 0 HA GLN A 2 9.235 5.300 0.267 1.00 0.25 H new ATOM 0 HB2 GLN A 2 9.628 7.073 -1.337 1.00 0.44 H new ATOM 0 HB3 GLN A 2 10.835 6.939 -0.074 1.00 0.44 H new ATOM 0 HG2 GLN A 2 11.157 6.911 -2.968 1.00 1.00 H new ATOM 0 HG3 GLN A 2 12.339 7.218 -1.710 1.00 1.00 H new ATOM 0 HE21 GLN A 2 13.556 5.468 -0.812 1.00 2.81 H new ATOM 0 HE22 GLN A 2 13.751 3.968 -1.723 1.00 2.81 H new ATOM 37 N ILE A 3 7.730 4.509 -1.633 1.00 0.19 N ATOM 38 CA ILE A 3 6.836 3.896 -2.629 1.00 0.18 C ATOM 39 C ILE A 3 5.667 4.826 -2.901 1.00 0.18 C ATOM 40 O ILE A 3 5.237 5.525 -1.983 1.00 0.24 O ATOM 41 CB ILE A 3 6.287 2.542 -2.114 1.00 0.23 C ATOM 42 CG1 ILE A 3 7.431 1.521 -2.002 1.00 0.24 C ATOM 43 CG2 ILE A 3 5.191 2.025 -3.035 1.00 0.25 C ATOM 44 CD1 ILE A 3 8.055 1.149 -3.340 1.00 0.26 C ATOM 0 H ILE A 3 7.245 5.007 -0.886 1.00 0.19 H new ATOM 0 HA ILE A 3 7.405 3.725 -3.543 1.00 0.18 H new ATOM 0 HB ILE A 3 5.854 2.690 -1.125 1.00 0.23 H new ATOM 0 HG12 ILE A 3 8.205 1.927 -1.351 1.00 0.24 H new ATOM 0 HG13 ILE A 3 7.054 0.617 -1.524 1.00 0.24 H new ATOM 0 HG21 ILE A 3 4.817 1.073 -2.657 1.00 0.25 H new ATOM 0 HG22 ILE A 3 4.375 2.747 -3.070 1.00 0.25 H new ATOM 0 HG23 ILE A 3 5.595 1.884 -4.038 1.00 0.25 H new ATOM 0 HD11 ILE A 3 8.854 0.425 -3.180 1.00 0.26 H new ATOM 0 HD12 ILE A 3 7.294 0.713 -3.987 1.00 0.26 H new ATOM 0 HD13 ILE A 3 8.464 2.042 -3.812 1.00 0.26 H new ATOM 56 N PHE A 4 5.110 4.853 -4.133 1.00 0.16 N ATOM 57 CA PHE A 4 4.000 5.824 -4.351 1.00 0.17 C ATOM 58 C PHE A 4 2.731 5.067 -4.762 1.00 0.19 C ATOM 59 O PHE A 4 2.749 4.225 -5.659 1.00 0.24 O ATOM 60 CB PHE A 4 4.355 7.045 -5.363 1.00 0.28 C ATOM 61 CG PHE A 4 5.709 7.798 -5.134 1.00 0.43 C ATOM 62 CD1 PHE A 4 6.488 7.494 -4.027 1.00 0.77 C ATOM 63 CD2 PHE A 4 6.231 8.805 -6.032 1.00 0.50 C ATOM 64 CE1 PHE A 4 7.701 8.113 -3.790 1.00 1.00 C ATOM 65 CE2 PHE A 4 7.461 9.415 -5.774 1.00 0.63 C ATOM 66 CZ PHE A 4 8.184 9.065 -4.657 1.00 0.86 C ATOM 0 H PHE A 4 5.375 4.274 -4.930 1.00 0.16 H new ATOM 0 HA PHE A 4 3.827 6.327 -3.400 1.00 0.17 H new ATOM 0 HB2 PHE A 4 4.356 6.651 -6.379 1.00 0.28 H new ATOM 0 HB3 PHE A 4 3.549 7.776 -5.305 1.00 0.28 H new ATOM 0 HD1 PHE A 4 6.135 6.750 -3.328 1.00 0.77 H new ATOM 0 HD2 PHE A 4 5.666 9.087 -6.908 1.00 0.50 H new ATOM 0 HE1 PHE A 4 8.275 7.846 -2.915 1.00 1.00 H new ATOM 0 HE2 PHE A 4 7.845 10.162 -6.452 1.00 0.63 H new ATOM 0 HZ PHE A 4 9.134 9.539 -4.460 1.00 0.86 H new ATOM 76 N VAL A 5 1.625 5.396 -4.073 1.00 0.19 N ATOM 77 CA VAL A 5 0.347 4.733 -4.267 1.00 0.23 C ATOM 78 C VAL A 5 -0.724 5.703 -4.796 1.00 0.20 C ATOM 79 O VAL A 5 -0.948 6.761 -4.181 1.00 0.17 O ATOM 80 CB VAL A 5 -0.148 4.161 -2.900 1.00 0.27 C ATOM 81 CG1 VAL A 5 -0.846 2.821 -3.032 1.00 0.63 C ATOM 82 CG2 VAL A 5 0.988 4.033 -1.902 1.00 0.70 C ATOM 0 H VAL A 5 1.604 6.132 -3.367 1.00 0.19 H new ATOM 0 HA VAL A 5 0.494 3.939 -4.999 1.00 0.23 H new ATOM 0 HB VAL A 5 -0.876 4.885 -2.534 1.00 0.27 H new ATOM 0 HG11 VAL A 5 -1.165 2.479 -2.048 1.00 0.63 H new ATOM 0 HG12 VAL A 5 -1.716 2.926 -3.680 1.00 0.63 H new ATOM 0 HG13 VAL A 5 -0.159 2.094 -3.464 1.00 0.63 H new ATOM 0 HG21 VAL A 5 0.605 3.632 -0.964 1.00 0.70 H new ATOM 0 HG22 VAL A 5 1.748 3.361 -2.300 1.00 0.70 H new ATOM 0 HG23 VAL A 5 1.428 5.014 -1.724 1.00 0.70 H new ATOM 92 N LYS A 6 -1.352 5.393 -5.952 1.00 0.23 N ATOM 93 CA LYS A 6 -2.449 6.291 -6.446 1.00 0.21 C ATOM 94 C LYS A 6 -3.733 5.878 -5.724 1.00 0.21 C ATOM 95 O LYS A 6 -3.940 4.699 -5.432 1.00 0.25 O ATOM 96 CB LYS A 6 -2.734 6.199 -8.006 1.00 0.25 C ATOM 97 CG LYS A 6 -1.492 6.143 -8.952 1.00 0.54 C ATOM 98 CD LYS A 6 -0.590 7.392 -8.929 1.00 0.29 C ATOM 99 CE LYS A 6 0.446 7.363 -10.079 1.00 0.41 C ATOM 100 NZ LYS A 6 1.140 6.050 -10.152 1.00 1.11 N ATOM 0 H LYS A 6 -1.145 4.584 -6.537 1.00 0.23 H new ATOM 0 HA LYS A 6 -2.131 7.314 -6.246 1.00 0.21 H new ATOM 0 HB2 LYS A 6 -3.339 5.311 -8.188 1.00 0.25 H new ATOM 0 HB3 LYS A 6 -3.339 7.060 -8.291 1.00 0.25 H new ATOM 0 HG2 LYS A 6 -0.890 5.275 -8.683 1.00 0.54 H new ATOM 0 HG3 LYS A 6 -1.840 5.985 -9.973 1.00 0.54 H new ATOM 0 HD2 LYS A 6 -1.205 8.288 -9.014 1.00 0.29 H new ATOM 0 HD3 LYS A 6 -0.072 7.451 -7.972 1.00 0.29 H new ATOM 0 HE2 LYS A 6 -0.054 7.565 -11.026 1.00 0.41 H new ATOM 0 HE3 LYS A 6 1.179 8.156 -9.930 1.00 0.41 H new ATOM 0 HZ1 LYS A 6 1.959 6.125 -10.788 1.00 1.11 H new ATOM 0 HZ2 LYS A 6 1.463 5.775 -9.203 1.00 1.11 H new ATOM 0 HZ3 LYS A 6 0.484 5.330 -10.516 1.00 1.11 H new ATOM 114 N THR A 7 -4.585 6.850 -5.441 1.00 0.17 N ATOM 115 CA THR A 7 -5.885 6.551 -4.754 1.00 0.18 C ATOM 116 C THR A 7 -7.074 6.571 -5.733 1.00 0.19 C ATOM 117 O THR A 7 -6.944 7.023 -6.870 1.00 0.19 O ATOM 118 CB THR A 7 -6.194 7.529 -3.586 1.00 0.18 C ATOM 119 OG1 THR A 7 -6.377 8.854 -4.098 1.00 0.17 O ATOM 120 CG2 THR A 7 -5.058 7.528 -2.568 1.00 0.19 C ATOM 0 H THR A 7 -4.431 7.835 -5.658 1.00 0.17 H new ATOM 0 HA THR A 7 -5.761 5.548 -4.346 1.00 0.18 H new ATOM 0 HB THR A 7 -7.107 7.198 -3.092 1.00 0.18 H new ATOM 0 HG1 THR A 7 -5.505 9.292 -4.191 1.00 0.17 H new ATOM 0 HG21 THR A 7 -5.294 8.219 -1.759 1.00 0.19 H new ATOM 0 HG22 THR A 7 -4.933 6.524 -2.163 1.00 0.19 H new ATOM 0 HG23 THR A 7 -4.134 7.841 -3.054 1.00 0.19 H new ATOM 128 N LEU A 8 -8.238 6.076 -5.271 1.00 0.21 N ATOM 129 CA LEU A 8 -9.447 6.014 -6.119 1.00 0.22 C ATOM 130 C LEU A 8 -9.996 7.396 -6.536 1.00 0.22 C ATOM 131 O LEU A 8 -10.832 7.466 -7.437 1.00 0.24 O ATOM 132 CB LEU A 8 -10.572 5.203 -5.443 1.00 0.25 C ATOM 133 CG LEU A 8 -11.019 3.964 -6.227 1.00 0.35 C ATOM 134 CD1 LEU A 8 -9.875 2.971 -6.363 1.00 0.50 C ATOM 135 CD2 LEU A 8 -12.217 3.309 -5.558 1.00 0.34 C ATOM 0 H LEU A 8 -8.368 5.716 -4.325 1.00 0.21 H new ATOM 0 HA LEU A 8 -9.120 5.510 -7.028 1.00 0.22 H new ATOM 0 HB2 LEU A 8 -10.234 4.890 -4.455 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -11.433 5.854 -5.294 1.00 0.25 H new ATOM 0 HG LEU A 8 -11.316 4.283 -7.226 1.00 0.35 H new ATOM 0 HD11 LEU A 8 -10.214 2.099 -6.923 1.00 0.50 H new ATOM 0 HD12 LEU A 8 -9.046 3.441 -6.892 1.00 0.50 H new ATOM 0 HD13 LEU A 8 -9.544 2.660 -5.372 1.00 0.50 H new ATOM 0 HD21 LEU A 8 -12.519 2.432 -6.130 1.00 0.34 H new ATOM 0 HD22 LEU A 8 -11.948 3.007 -4.546 1.00 0.34 H new ATOM 0 HD23 LEU A 8 -13.044 4.018 -5.518 1.00 0.34 H new ATOM 147 N THR A 9 -9.551 8.491 -5.907 1.00 0.21 N ATOM 148 CA THR A 9 -10.047 9.831 -6.299 1.00 0.23 C ATOM 149 C THR A 9 -9.061 10.541 -7.240 1.00 0.23 C ATOM 150 O THR A 9 -9.260 11.700 -7.607 1.00 0.25 O ATOM 151 CB THR A 9 -10.277 10.710 -5.053 1.00 0.25 C ATOM 152 OG1 THR A 9 -10.912 9.941 -4.025 1.00 1.14 O ATOM 153 CG2 THR A 9 -11.140 11.917 -5.386 1.00 1.31 C ATOM 0 H THR A 9 -8.870 8.487 -5.147 1.00 0.21 H new ATOM 0 HA THR A 9 -10.991 9.685 -6.824 1.00 0.23 H new ATOM 0 HB THR A 9 -9.306 11.063 -4.705 1.00 0.25 H new ATOM 0 HG1 THR A 9 -11.054 10.504 -3.236 1.00 1.14 H new ATOM 0 HG21 THR A 9 -11.286 12.519 -4.489 1.00 1.31 H new ATOM 0 HG22 THR A 9 -10.646 12.518 -6.150 1.00 1.31 H new ATOM 0 HG23 THR A 9 -12.108 11.581 -5.758 1.00 1.31 H new ATOM 161 N GLY A 10 -8.002 9.835 -7.632 1.00 0.20 N ATOM 162 CA GLY A 10 -6.999 10.408 -8.539 1.00 0.22 C ATOM 163 C GLY A 10 -5.934 11.206 -7.805 1.00 0.21 C ATOM 164 O GLY A 10 -5.345 12.122 -8.379 1.00 0.24 O ATOM 0 H GLY A 10 -7.814 8.875 -7.342 1.00 0.20 H new ATOM 0 HA2 GLY A 10 -6.523 9.605 -9.102 1.00 0.22 H new ATOM 0 HA3 GLY A 10 -7.496 11.053 -9.263 1.00 0.22 H new ATOM 168 N LYS A 11 -5.678 10.868 -6.539 1.00 0.18 N ATOM 169 CA LYS A 11 -4.624 11.548 -5.759 1.00 0.18 C ATOM 170 C LYS A 11 -3.568 10.509 -5.317 1.00 0.14 C ATOM 171 O LYS A 11 -3.921 9.499 -4.712 1.00 0.13 O ATOM 172 CB LYS A 11 -5.249 12.257 -4.508 1.00 0.22 C ATOM 173 CG LYS A 11 -4.394 13.400 -3.900 1.00 0.78 C ATOM 174 CD LYS A 11 -5.044 13.992 -2.640 1.00 1.39 C ATOM 175 CE LYS A 11 -4.345 15.275 -2.154 1.00 1.90 C ATOM 176 NZ LYS A 11 -3.886 16.121 -3.291 1.00 2.00 N ATOM 0 H LYS A 11 -6.176 10.137 -6.031 1.00 0.18 H new ATOM 0 HA LYS A 11 -4.146 12.306 -6.379 1.00 0.18 H new ATOM 0 HB2 LYS A 11 -6.221 12.662 -4.788 1.00 0.22 H new ATOM 0 HB3 LYS A 11 -5.426 11.508 -3.736 1.00 0.22 H new ATOM 0 HG2 LYS A 11 -3.403 13.020 -3.653 1.00 0.78 H new ATOM 0 HG3 LYS A 11 -4.258 14.186 -4.642 1.00 0.78 H new ATOM 0 HD2 LYS A 11 -6.092 14.210 -2.846 1.00 1.39 H new ATOM 0 HD3 LYS A 11 -5.024 13.249 -1.843 1.00 1.39 H new ATOM 0 HE2 LYS A 11 -5.030 15.847 -1.529 1.00 1.90 H new ATOM 0 HE3 LYS A 11 -3.491 15.010 -1.531 1.00 1.90 H new ATOM 0 HZ1 LYS A 11 -3.656 17.074 -2.944 1.00 2.00 H new ATOM 0 HZ2 LYS A 11 -3.040 15.695 -3.721 1.00 2.00 H new ATOM 0 HZ3 LYS A 11 -4.641 16.185 -4.003 1.00 2.00 H new ATOM 190 N THR A 12 -2.282 10.751 -5.604 1.00 0.14 N ATOM 191 CA THR A 12 -1.215 9.799 -5.201 1.00 0.12 C ATOM 192 C THR A 12 -0.339 10.386 -4.093 1.00 0.13 C ATOM 193 O THR A 12 -0.107 11.596 -4.073 1.00 0.15 O ATOM 194 CB THR A 12 -0.310 9.415 -6.391 1.00 0.14 C ATOM 195 OG1 THR A 12 0.346 8.171 -6.117 1.00 0.14 O ATOM 196 CG2 THR A 12 0.742 10.483 -6.651 1.00 0.20 C ATOM 0 H THR A 12 -1.950 11.577 -6.103 1.00 0.14 H new ATOM 0 HA THR A 12 -1.722 8.906 -4.835 1.00 0.12 H new ATOM 0 HB THR A 12 -0.940 9.323 -7.276 1.00 0.14 H new ATOM 0 HG1 THR A 12 1.272 8.213 -6.435 1.00 0.14 H new ATOM 0 HG21 THR A 12 1.364 10.184 -7.495 1.00 0.20 H new ATOM 0 HG22 THR A 12 0.251 11.429 -6.879 1.00 0.20 H new ATOM 0 HG23 THR A 12 1.366 10.603 -5.765 1.00 0.20 H new ATOM 204 N ILE A 13 0.149 9.551 -3.159 1.00 0.13 N ATOM 205 CA ILE A 13 1.003 10.103 -2.070 1.00 0.16 C ATOM 206 C ILE A 13 2.412 9.471 -2.099 1.00 0.18 C ATOM 207 O ILE A 13 2.588 8.350 -2.577 1.00 0.18 O ATOM 208 CB ILE A 13 0.405 9.858 -0.644 1.00 0.18 C ATOM 209 CG1 ILE A 13 -1.063 10.318 -0.512 1.00 0.15 C ATOM 210 CG2 ILE A 13 1.244 10.545 0.431 1.00 0.26 C ATOM 211 CD1 ILE A 13 -1.695 9.710 0.714 1.00 0.16 C ATOM 0 H ILE A 13 -0.015 8.545 -3.124 1.00 0.13 H new ATOM 0 HA ILE A 13 1.052 11.176 -2.255 1.00 0.16 H new ATOM 0 HB ILE A 13 0.428 8.778 -0.499 1.00 0.18 H new ATOM 0 HG12 ILE A 13 -1.106 11.405 -0.450 1.00 0.15 H new ATOM 0 HG13 ILE A 13 -1.623 10.027 -1.400 1.00 0.15 H new ATOM 0 HG21 ILE A 13 0.805 10.357 1.411 1.00 0.26 H new ATOM 0 HG22 ILE A 13 2.260 10.150 0.407 1.00 0.26 H new ATOM 0 HG23 ILE A 13 1.267 11.618 0.243 1.00 0.26 H new ATOM 0 HD11 ILE A 13 -2.730 10.044 0.793 1.00 0.16 H new ATOM 0 HD12 ILE A 13 -1.669 8.623 0.636 1.00 0.16 H new ATOM 0 HD13 ILE A 13 -1.144 10.023 1.601 1.00 0.16 H new ATOM 223 N THR A 14 3.411 10.207 -1.582 1.00 0.20 N ATOM 224 CA THR A 14 4.804 9.703 -1.513 1.00 0.24 C ATOM 225 C THR A 14 5.063 9.226 -0.069 1.00 0.25 C ATOM 226 O THR A 14 4.959 10.026 0.862 1.00 0.26 O ATOM 227 CB THR A 14 5.856 10.773 -1.947 1.00 0.29 C ATOM 228 OG1 THR A 14 6.032 10.716 -3.366 1.00 0.49 O ATOM 229 CG2 THR A 14 7.210 10.554 -1.264 1.00 0.63 C ATOM 0 H THR A 14 3.287 11.147 -1.207 1.00 0.20 H new ATOM 0 HA THR A 14 4.917 8.879 -2.217 1.00 0.24 H new ATOM 0 HB THR A 14 5.481 11.751 -1.645 1.00 0.29 H new ATOM 0 HG1 THR A 14 6.512 9.895 -3.603 1.00 0.49 H new ATOM 0 HG21 THR A 14 7.912 11.320 -1.594 1.00 0.63 H new ATOM 0 HG22 THR A 14 7.086 10.617 -0.183 1.00 0.63 H new ATOM 0 HG23 THR A 14 7.596 9.570 -1.529 1.00 0.63 H new ATOM 237 N LEU A 15 5.399 7.945 0.133 1.00 0.26 N ATOM 238 CA LEU A 15 5.593 7.425 1.493 1.00 0.30 C ATOM 239 C LEU A 15 7.030 6.928 1.710 1.00 0.32 C ATOM 240 O LEU A 15 7.692 6.481 0.767 1.00 0.30 O ATOM 241 CB LEU A 15 4.588 6.282 1.800 1.00 0.30 C ATOM 242 CG LEU A 15 4.140 6.183 3.256 1.00 0.35 C ATOM 243 CD1 LEU A 15 3.544 7.489 3.722 1.00 0.67 C ATOM 244 CD2 LEU A 15 3.099 5.107 3.386 1.00 0.66 C ATOM 0 H LEU A 15 5.540 7.262 -0.611 1.00 0.26 H new ATOM 0 HA LEU A 15 5.410 8.251 2.180 1.00 0.30 H new ATOM 0 HB2 LEU A 15 3.706 6.418 1.174 1.00 0.30 H new ATOM 0 HB3 LEU A 15 5.042 5.334 1.511 1.00 0.30 H new ATOM 0 HG LEU A 15 5.011 5.948 3.868 1.00 0.35 H new ATOM 0 HD11 LEU A 15 3.232 7.396 4.762 1.00 0.67 H new ATOM 0 HD12 LEU A 15 4.289 8.280 3.636 1.00 0.67 H new ATOM 0 HD13 LEU A 15 2.680 7.736 3.104 1.00 0.67 H new ATOM 0 HD21 LEU A 15 2.778 5.035 4.425 1.00 0.66 H new ATOM 0 HD22 LEU A 15 2.243 5.352 2.758 1.00 0.66 H new ATOM 0 HD23 LEU A 15 3.520 4.153 3.069 1.00 0.66 H new ATOM 256 N GLU A 16 7.465 6.979 2.978 1.00 0.37 N ATOM 257 CA GLU A 16 8.825 6.568 3.377 1.00 0.40 C ATOM 258 C GLU A 16 8.712 5.125 3.883 1.00 0.39 C ATOM 259 O GLU A 16 8.034 4.889 4.883 1.00 0.42 O ATOM 260 CB GLU A 16 9.378 7.499 4.519 1.00 0.45 C ATOM 261 CG GLU A 16 10.859 7.186 4.945 1.00 0.48 C ATOM 262 CD GLU A 16 10.937 6.010 5.898 1.00 0.48 C ATOM 263 OE1 GLU A 16 10.749 6.219 7.115 1.00 0.51 O ATOM 264 OE2 GLU A 16 11.188 4.879 5.428 1.00 0.46 O ATOM 0 H GLU A 16 6.889 7.304 3.754 1.00 0.37 H new ATOM 0 HA GLU A 16 9.514 6.644 2.536 1.00 0.40 H new ATOM 0 HB2 GLU A 16 9.318 8.536 4.188 1.00 0.45 H new ATOM 0 HB3 GLU A 16 8.733 7.406 5.393 1.00 0.45 H new ATOM 0 HG2 GLU A 16 11.455 6.974 4.057 1.00 0.48 H new ATOM 0 HG3 GLU A 16 11.294 8.066 5.418 1.00 0.48 H new ATOM 271 N VAL A 17 9.356 4.150 3.224 1.00 0.37 N ATOM 272 CA VAL A 17 9.155 2.738 3.641 1.00 0.35 C ATOM 273 C VAL A 17 10.465 2.014 3.840 1.00 0.34 C ATOM 274 O VAL A 17 11.497 2.548 3.543 1.00 0.35 O ATOM 275 CB VAL A 17 8.359 1.932 2.569 1.00 0.35 C ATOM 276 CG1 VAL A 17 6.957 2.457 2.419 1.00 0.34 C ATOM 277 CG2 VAL A 17 9.065 1.996 1.229 1.00 0.39 C ATOM 0 H VAL A 17 9.991 4.291 2.438 1.00 0.37 H new ATOM 0 HA VAL A 17 8.602 2.790 4.579 1.00 0.35 H new ATOM 0 HB VAL A 17 8.309 0.897 2.907 1.00 0.35 H new ATOM 0 HG11 VAL A 17 6.429 1.874 1.665 1.00 0.34 H new ATOM 0 HG12 VAL A 17 6.434 2.376 3.372 1.00 0.34 H new ATOM 0 HG13 VAL A 17 6.991 3.502 2.112 1.00 0.34 H new ATOM 0 HG21 VAL A 17 8.497 1.429 0.491 1.00 0.39 H new ATOM 0 HG22 VAL A 17 9.142 3.035 0.907 1.00 0.39 H new ATOM 0 HG23 VAL A 17 10.064 1.571 1.323 1.00 0.39 H new ATOM 287 N GLU A 18 10.433 0.839 4.447 1.00 0.34 N ATOM 288 CA GLU A 18 11.660 0.064 4.584 1.00 0.37 C ATOM 289 C GLU A 18 11.317 -1.431 4.426 1.00 0.41 C ATOM 290 O GLU A 18 10.362 -1.907 5.039 1.00 0.38 O ATOM 291 CB GLU A 18 12.379 0.336 5.934 1.00 0.36 C ATOM 292 CG GLU A 18 11.556 0.022 7.216 1.00 0.36 C ATOM 293 CD GLU A 18 11.230 1.284 7.991 1.00 0.46 C ATOM 294 OE1 GLU A 18 12.138 1.824 8.658 1.00 0.59 O ATOM 295 OE2 GLU A 18 10.066 1.733 7.935 1.00 0.51 O ATOM 0 H GLU A 18 9.598 0.408 4.843 1.00 0.34 H new ATOM 0 HA GLU A 18 12.358 0.369 3.804 1.00 0.37 H new ATOM 0 HB2 GLU A 18 13.296 -0.253 5.961 1.00 0.36 H new ATOM 0 HB3 GLU A 18 12.673 1.385 5.962 1.00 0.36 H new ATOM 0 HG2 GLU A 18 10.632 -0.486 6.941 1.00 0.36 H new ATOM 0 HG3 GLU A 18 12.118 -0.662 7.852 1.00 0.36 H new ATOM 302 N SER A 19 12.093 -2.170 3.617 1.00 0.48 N ATOM 303 CA SER A 19 11.843 -3.584 3.357 1.00 0.56 C ATOM 304 C SER A 19 11.525 -4.417 4.610 1.00 0.55 C ATOM 305 O SER A 19 10.945 -5.496 4.491 1.00 0.59 O ATOM 306 CB SER A 19 13.033 -4.174 2.609 1.00 0.68 C ATOM 307 OG SER A 19 12.761 -5.489 2.176 1.00 1.16 O ATOM 0 H SER A 19 12.908 -1.799 3.129 1.00 0.48 H new ATOM 0 HA SER A 19 10.940 -3.633 2.748 1.00 0.56 H new ATOM 0 HB2 SER A 19 13.273 -3.548 1.750 1.00 0.68 H new ATOM 0 HB3 SER A 19 13.909 -4.175 3.257 1.00 0.68 H new ATOM 0 HG SER A 19 13.540 -5.844 1.698 1.00 1.16 H new ATOM 313 N SER A 20 11.901 -3.940 5.801 1.00 0.52 N ATOM 314 CA SER A 20 11.668 -4.720 7.028 1.00 0.53 C ATOM 315 C SER A 20 10.380 -4.319 7.761 1.00 0.45 C ATOM 316 O SER A 20 9.831 -5.128 8.510 1.00 0.47 O ATOM 317 CB SER A 20 12.878 -4.619 7.998 1.00 0.60 C ATOM 318 OG SER A 20 12.778 -3.445 8.787 1.00 0.55 O ATOM 0 H SER A 20 12.358 -3.039 5.945 1.00 0.52 H new ATOM 0 HA SER A 20 11.550 -5.754 6.704 1.00 0.53 H new ATOM 0 HB2 SER A 20 12.911 -5.497 8.643 1.00 0.60 H new ATOM 0 HB3 SER A 20 13.808 -4.606 7.430 1.00 0.60 H new ATOM 0 HG SER A 20 13.545 -3.393 9.395 1.00 0.55 H new ATOM 324 N ASP A 21 9.887 -3.092 7.565 1.00 0.37 N ATOM 325 CA ASP A 21 8.647 -2.680 8.283 1.00 0.32 C ATOM 326 C ASP A 21 7.442 -3.439 7.718 1.00 0.26 C ATOM 327 O ASP A 21 7.394 -3.744 6.526 1.00 0.25 O ATOM 328 CB ASP A 21 8.350 -1.142 8.174 1.00 0.32 C ATOM 329 CG ASP A 21 7.617 -0.630 9.398 1.00 0.58 C ATOM 330 OD1 ASP A 21 6.594 -1.241 9.776 1.00 1.20 O ATOM 331 OD2 ASP A 21 8.061 0.382 9.976 1.00 1.01 O ATOM 0 H ASP A 21 10.293 -2.387 6.950 1.00 0.37 H new ATOM 0 HA ASP A 21 8.811 -2.917 9.334 1.00 0.32 H new ATOM 0 HB2 ASP A 21 9.286 -0.597 8.055 1.00 0.32 H new ATOM 0 HB3 ASP A 21 7.753 -0.948 7.283 1.00 0.32 H new ATOM 336 N THR A 22 6.469 -3.736 8.588 1.00 0.24 N ATOM 337 CA THR A 22 5.265 -4.460 8.186 1.00 0.20 C ATOM 338 C THR A 22 4.327 -3.565 7.364 1.00 0.19 C ATOM 339 O THR A 22 4.203 -2.374 7.650 1.00 0.20 O ATOM 340 CB THR A 22 4.495 -4.980 9.416 1.00 0.20 C ATOM 341 OG1 THR A 22 4.356 -3.935 10.385 1.00 0.93 O ATOM 342 CG2 THR A 22 5.208 -6.170 10.040 1.00 0.90 C ATOM 0 H THR A 22 6.496 -3.484 9.576 1.00 0.24 H new ATOM 0 HA THR A 22 5.591 -5.302 7.575 1.00 0.20 H new ATOM 0 HB THR A 22 3.507 -5.303 9.088 1.00 0.20 H new ATOM 0 HG1 THR A 22 3.864 -4.273 11.162 1.00 0.93 H new ATOM 0 HG21 THR A 22 4.645 -6.518 10.906 1.00 0.90 H new ATOM 0 HG22 THR A 22 5.283 -6.974 9.308 1.00 0.90 H new ATOM 0 HG23 THR A 22 6.208 -5.871 10.354 1.00 0.90 H new ATOM 350 N ILE A 23 3.664 -4.130 6.343 1.00 0.20 N ATOM 351 CA ILE A 23 2.764 -3.358 5.496 1.00 0.22 C ATOM 352 C ILE A 23 1.654 -2.667 6.321 1.00 0.21 C ATOM 353 O ILE A 23 1.233 -1.572 5.953 1.00 0.22 O ATOM 354 CB ILE A 23 2.144 -4.236 4.377 1.00 0.26 C ATOM 355 CG1 ILE A 23 3.259 -4.824 3.508 1.00 0.40 C ATOM 356 CG2 ILE A 23 1.184 -3.416 3.524 1.00 0.42 C ATOM 357 CD1 ILE A 23 2.778 -5.880 2.537 1.00 1.40 C ATOM 0 H ILE A 23 3.739 -5.115 6.091 1.00 0.20 H new ATOM 0 HA ILE A 23 3.364 -2.580 5.024 1.00 0.22 H new ATOM 0 HB ILE A 23 1.582 -5.049 4.836 1.00 0.26 H new ATOM 0 HG12 ILE A 23 3.735 -4.019 2.949 1.00 0.40 H new ATOM 0 HG13 ILE A 23 4.022 -5.258 4.155 1.00 0.40 H new ATOM 0 HG21 ILE A 23 0.759 -4.048 2.745 1.00 0.42 H new ATOM 0 HG22 ILE A 23 0.383 -3.025 4.151 1.00 0.42 H new ATOM 0 HG23 ILE A 23 1.723 -2.587 3.065 1.00 0.42 H new ATOM 0 HD11 ILE A 23 3.622 -6.251 1.955 1.00 1.40 H new ATOM 0 HD12 ILE A 23 2.328 -6.705 3.090 1.00 1.40 H new ATOM 0 HD13 ILE A 23 2.037 -5.446 1.865 1.00 1.40 H new ATOM 369 N ASP A 24 1.165 -3.271 7.439 1.00 0.19 N ATOM 370 CA ASP A 24 0.104 -2.599 8.219 1.00 0.19 C ATOM 371 C ASP A 24 0.588 -1.240 8.742 1.00 0.17 C ATOM 372 O ASP A 24 -0.127 -0.234 8.642 1.00 0.17 O ATOM 373 CB ASP A 24 -0.324 -3.479 9.396 1.00 0.20 C ATOM 374 CG ASP A 24 -1.444 -2.857 10.206 1.00 0.99 C ATOM 375 OD1 ASP A 24 -2.623 -3.089 9.866 1.00 1.80 O ATOM 376 OD2 ASP A 24 -1.142 -2.137 11.182 1.00 0.94 O ATOM 0 H ASP A 24 1.472 -4.174 7.801 1.00 0.19 H new ATOM 0 HA ASP A 24 -0.749 -2.436 7.560 1.00 0.19 H new ATOM 0 HB2 ASP A 24 -0.647 -4.450 9.021 1.00 0.20 H new ATOM 0 HB3 ASP A 24 0.534 -3.656 10.044 1.00 0.20 H new ATOM 381 N ASN A 25 1.802 -1.206 9.290 1.00 0.17 N ATOM 382 CA ASN A 25 2.377 0.048 9.793 1.00 0.18 C ATOM 383 C ASN A 25 2.335 1.139 8.714 1.00 0.18 C ATOM 384 O ASN A 25 1.978 2.291 9.006 1.00 0.18 O ATOM 385 CB ASN A 25 3.820 -0.148 10.346 1.00 0.20 C ATOM 386 CG ASN A 25 4.484 1.196 10.747 1.00 0.22 C ATOM 387 OD1 ASN A 25 4.873 2.054 9.761 1.00 0.24 O flip ATOM 388 ND2 ASN A 25 4.634 1.473 11.936 1.00 0.25 N flip ATOM 0 H ASN A 25 2.404 -2.022 9.398 1.00 0.17 H new ATOM 0 HA ASN A 25 1.761 0.375 10.631 1.00 0.18 H new ATOM 0 HB2 ASN A 25 3.788 -0.808 11.213 1.00 0.20 H new ATOM 0 HB3 ASN A 25 4.432 -0.642 9.591 1.00 0.20 H new ATOM 0 HD21 ASN A 25 4.335 0.814 12.655 1.00 0.25 H new ATOM 0 HD22 ASN A 25 5.058 2.362 12.203 1.00 0.25 H new ATOM 395 N VAL A 26 2.678 0.806 7.461 1.00 0.20 N ATOM 396 CA VAL A 26 2.672 1.825 6.430 1.00 0.22 C ATOM 397 C VAL A 26 1.239 2.248 6.133 1.00 0.20 C ATOM 398 O VAL A 26 0.967 3.426 5.849 1.00 0.20 O ATOM 399 CB VAL A 26 3.338 1.335 5.124 1.00 0.28 C ATOM 400 CG1 VAL A 26 4.449 2.279 4.720 1.00 0.37 C ATOM 401 CG2 VAL A 26 3.891 -0.073 5.277 1.00 0.24 C ATOM 0 H VAL A 26 2.952 -0.128 7.155 1.00 0.20 H new ATOM 0 HA VAL A 26 3.248 2.671 6.805 1.00 0.22 H new ATOM 0 HB VAL A 26 2.574 1.318 4.347 1.00 0.28 H new ATOM 0 HG11 VAL A 26 4.911 1.924 3.799 1.00 0.37 H new ATOM 0 HG12 VAL A 26 4.039 3.276 4.559 1.00 0.37 H new ATOM 0 HG13 VAL A 26 5.199 2.318 5.510 1.00 0.37 H new ATOM 0 HG21 VAL A 26 4.352 -0.387 4.340 1.00 0.24 H new ATOM 0 HG22 VAL A 26 4.637 -0.086 6.071 1.00 0.24 H new ATOM 0 HG23 VAL A 26 3.080 -0.757 5.529 1.00 0.24 H new ATOM 411 N LYS A 27 0.315 1.292 6.233 1.00 0.19 N ATOM 412 CA LYS A 27 -1.096 1.584 6.021 1.00 0.20 C ATOM 413 C LYS A 27 -1.564 2.624 7.025 1.00 0.18 C ATOM 414 O LYS A 27 -2.502 3.378 6.762 1.00 0.18 O ATOM 415 CB LYS A 27 -1.969 0.319 6.121 1.00 0.25 C ATOM 416 CG LYS A 27 -1.562 -0.780 5.148 1.00 0.60 C ATOM 417 CD LYS A 27 -2.099 -0.524 3.748 1.00 1.21 C ATOM 418 CE LYS A 27 -1.167 0.363 2.936 1.00 2.13 C ATOM 419 NZ LYS A 27 -1.829 0.892 1.712 1.00 2.91 N ATOM 0 H LYS A 27 0.519 0.318 6.458 1.00 0.19 H new ATOM 0 HA LYS A 27 -1.205 1.976 5.010 1.00 0.20 H new ATOM 0 HB2 LYS A 27 -1.916 -0.070 7.138 1.00 0.25 H new ATOM 0 HB3 LYS A 27 -3.009 0.589 5.937 1.00 0.25 H new ATOM 0 HG2 LYS A 27 -0.475 -0.850 5.113 1.00 0.60 H new ATOM 0 HG3 LYS A 27 -1.931 -1.740 5.509 1.00 0.60 H new ATOM 0 HD2 LYS A 27 -2.236 -1.475 3.232 1.00 1.21 H new ATOM 0 HD3 LYS A 27 -3.080 -0.054 3.816 1.00 1.21 H new ATOM 0 HE2 LYS A 27 -0.828 1.195 3.554 1.00 2.13 H new ATOM 0 HE3 LYS A 27 -0.281 -0.205 2.653 1.00 2.13 H new ATOM 0 HZ1 LYS A 27 -1.106 1.210 1.036 1.00 2.91 H new ATOM 0 HZ2 LYS A 27 -2.404 0.142 1.277 1.00 2.91 H new ATOM 0 HZ3 LYS A 27 -2.441 1.693 1.967 1.00 2.91 H new ATOM 433 N SER A 28 -0.933 2.649 8.201 1.00 0.17 N ATOM 434 CA SER A 28 -1.339 3.633 9.209 1.00 0.18 C ATOM 435 C SER A 28 -0.647 4.987 9.020 1.00 0.18 C ATOM 436 O SER A 28 -1.275 6.011 9.289 1.00 0.19 O ATOM 437 CB SER A 28 -1.133 3.124 10.661 1.00 0.21 C ATOM 438 OG SER A 28 0.084 2.409 10.784 1.00 0.22 O ATOM 0 H SER A 28 -0.171 2.028 8.473 1.00 0.17 H new ATOM 0 HA SER A 28 -2.408 3.776 9.055 1.00 0.18 H new ATOM 0 HB2 SER A 28 -1.133 3.969 11.349 1.00 0.21 H new ATOM 0 HB3 SER A 28 -1.966 2.481 10.946 1.00 0.21 H new ATOM 0 HG SER A 28 0.745 2.778 10.162 1.00 0.22 H new ATOM 444 N LYS A 29 0.627 5.046 8.568 1.00 0.19 N ATOM 445 CA LYS A 29 1.222 6.382 8.393 1.00 0.21 C ATOM 446 C LYS A 29 0.422 7.121 7.326 1.00 0.19 C ATOM 447 O LYS A 29 0.231 8.342 7.385 1.00 0.20 O ATOM 448 CB LYS A 29 2.746 6.357 7.995 1.00 0.25 C ATOM 449 CG LYS A 29 3.491 7.725 8.243 1.00 0.30 C ATOM 450 CD LYS A 29 5.022 7.596 8.489 1.00 0.36 C ATOM 451 CE LYS A 29 5.401 6.304 9.204 1.00 0.56 C ATOM 452 NZ LYS A 29 5.561 5.165 8.255 1.00 1.71 N ATOM 0 H LYS A 29 1.221 4.250 8.335 1.00 0.19 H new ATOM 0 HA LYS A 29 1.177 6.889 9.357 1.00 0.21 H new ATOM 0 HB2 LYS A 29 3.247 5.573 8.562 1.00 0.25 H new ATOM 0 HB3 LYS A 29 2.832 6.093 6.941 1.00 0.25 H new ATOM 0 HG2 LYS A 29 3.328 8.373 7.382 1.00 0.30 H new ATOM 0 HG3 LYS A 29 3.039 8.219 9.103 1.00 0.30 H new ATOM 0 HD2 LYS A 29 5.544 7.643 7.533 1.00 0.36 H new ATOM 0 HD3 LYS A 29 5.363 8.446 9.080 1.00 0.36 H new ATOM 0 HE2 LYS A 29 6.332 6.453 9.752 1.00 0.56 H new ATOM 0 HE3 LYS A 29 4.634 6.058 9.939 1.00 0.56 H new ATOM 0 HZ1 LYS A 29 4.934 4.385 8.540 1.00 1.71 H new ATOM 0 HZ2 LYS A 29 5.312 5.476 7.294 1.00 1.71 H new ATOM 0 HZ3 LYS A 29 6.548 4.838 8.268 1.00 1.71 H new ATOM 466 N ILE A 30 -0.081 6.346 6.363 1.00 0.17 N ATOM 467 CA ILE A 30 -0.898 6.925 5.309 1.00 0.17 C ATOM 468 C ILE A 30 -2.269 7.303 5.890 1.00 0.16 C ATOM 469 O ILE A 30 -2.724 8.419 5.653 1.00 0.17 O ATOM 470 CB ILE A 30 -1.057 5.981 4.077 1.00 0.19 C ATOM 471 CG1 ILE A 30 -1.668 6.751 2.903 1.00 0.81 C ATOM 472 CG2 ILE A 30 -1.911 4.775 4.415 1.00 0.76 C ATOM 473 CD1 ILE A 30 -1.622 5.995 1.593 1.00 0.92 C ATOM 0 H ILE A 30 0.062 5.338 6.295 1.00 0.17 H new ATOM 0 HA ILE A 30 -0.389 7.816 4.940 1.00 0.17 H new ATOM 0 HB ILE A 30 -0.067 5.622 3.794 1.00 0.19 H new ATOM 0 HG12 ILE A 30 -2.705 6.992 3.138 1.00 0.81 H new ATOM 0 HG13 ILE A 30 -1.140 7.697 2.786 1.00 0.81 H new ATOM 0 HG21 ILE A 30 -2.003 4.137 3.536 1.00 0.76 H new ATOM 0 HG22 ILE A 30 -1.444 4.214 5.224 1.00 0.76 H new ATOM 0 HG23 ILE A 30 -2.901 5.106 4.728 1.00 0.76 H new ATOM 0 HD11 ILE A 30 -2.072 6.601 0.807 1.00 0.92 H new ATOM 0 HD12 ILE A 30 -0.586 5.777 1.335 1.00 0.92 H new ATOM 0 HD13 ILE A 30 -2.175 5.061 1.692 1.00 0.92 H new ATOM 485 N GLN A 31 -2.958 6.400 6.642 1.00 0.17 N ATOM 486 CA GLN A 31 -4.242 6.818 7.240 1.00 0.19 C ATOM 487 C GLN A 31 -4.076 8.194 7.969 1.00 0.20 C ATOM 488 O GLN A 31 -4.955 9.038 7.873 1.00 0.22 O ATOM 489 CB GLN A 31 -4.891 5.683 8.179 1.00 0.22 C ATOM 490 CG GLN A 31 -5.841 6.204 9.311 1.00 0.32 C ATOM 491 CD GLN A 31 -5.097 6.987 10.378 1.00 1.09 C ATOM 492 OE1 GLN A 31 -3.844 6.620 10.622 1.00 1.33 O flip ATOM 493 NE2 GLN A 31 -5.647 7.910 10.983 1.00 2.22 N flip ATOM 0 H GLN A 31 -2.666 5.442 6.836 1.00 0.17 H new ATOM 0 HA GLN A 31 -4.960 6.955 6.432 1.00 0.19 H new ATOM 0 HB2 GLN A 31 -5.451 4.992 7.549 1.00 0.22 H new ATOM 0 HB3 GLN A 31 -4.084 5.113 8.640 1.00 0.22 H new ATOM 0 HG2 GLN A 31 -6.612 6.837 8.871 1.00 0.32 H new ATOM 0 HG3 GLN A 31 -6.349 5.358 9.773 1.00 0.32 H new ATOM 0 HE21 GLN A 31 -6.612 8.160 10.765 1.00 2.22 H new ATOM 0 HE22 GLN A 31 -5.137 8.424 11.702 1.00 2.22 H new ATOM 502 N ASP A 32 -2.971 8.428 8.721 1.00 0.20 N ATOM 503 CA ASP A 32 -2.758 9.722 9.373 1.00 0.22 C ATOM 504 C ASP A 32 -2.648 10.849 8.348 1.00 0.21 C ATOM 505 O ASP A 32 -3.221 11.925 8.524 1.00 0.22 O ATOM 506 CB ASP A 32 -1.494 9.682 10.241 1.00 0.23 C ATOM 507 CG ASP A 32 -1.620 8.712 11.399 1.00 0.25 C ATOM 508 OD1 ASP A 32 -2.391 9.003 12.337 1.00 0.27 O ATOM 509 OD2 ASP A 32 -0.946 7.660 11.368 1.00 0.36 O ATOM 0 H ASP A 32 -2.232 7.744 8.883 1.00 0.20 H new ATOM 0 HA ASP A 32 -3.622 9.920 10.007 1.00 0.22 H new ATOM 0 HB2 ASP A 32 -0.641 9.398 9.624 1.00 0.23 H new ATOM 0 HB3 ASP A 32 -1.290 10.681 10.627 1.00 0.23 H new ATOM 514 N LYS A 33 -1.905 10.583 7.278 1.00 0.19 N ATOM 515 CA LYS A 33 -1.667 11.611 6.224 1.00 0.19 C ATOM 516 C LYS A 33 -2.929 11.915 5.397 1.00 0.18 C ATOM 517 O LYS A 33 -3.364 13.066 5.356 1.00 0.19 O ATOM 518 CB LYS A 33 -0.486 11.222 5.278 1.00 0.22 C ATOM 519 CG LYS A 33 0.242 12.419 4.601 1.00 0.31 C ATOM 520 CD LYS A 33 1.233 11.974 3.496 1.00 0.39 C ATOM 521 CE LYS A 33 2.175 13.109 3.047 1.00 0.81 C ATOM 522 NZ LYS A 33 2.568 13.985 4.185 1.00 1.81 N ATOM 0 H LYS A 33 -1.456 9.684 7.103 1.00 0.19 H new ATOM 0 HA LYS A 33 -1.393 12.520 6.759 1.00 0.19 H new ATOM 0 HB2 LYS A 33 0.244 10.650 5.851 1.00 0.22 H new ATOM 0 HB3 LYS A 33 -0.868 10.562 4.499 1.00 0.22 H new ATOM 0 HG2 LYS A 33 -0.499 13.091 4.168 1.00 0.31 H new ATOM 0 HG3 LYS A 33 0.782 12.986 5.360 1.00 0.31 H new ATOM 0 HD2 LYS A 33 1.828 11.138 3.863 1.00 0.39 H new ATOM 0 HD3 LYS A 33 0.671 11.612 2.635 1.00 0.39 H new ATOM 0 HE2 LYS A 33 3.069 12.681 2.592 1.00 0.81 H new ATOM 0 HE3 LYS A 33 1.683 13.708 2.281 1.00 0.81 H new ATOM 0 HZ1 LYS A 33 3.404 14.544 3.920 1.00 1.81 H new ATOM 0 HZ2 LYS A 33 1.783 14.626 4.417 1.00 1.81 H new ATOM 0 HZ3 LYS A 33 2.792 13.398 5.014 1.00 1.81 H new ATOM 536 N GLU A 34 -3.523 10.914 4.740 1.00 0.17 N ATOM 537 CA GLU A 34 -4.710 11.183 3.890 1.00 0.18 C ATOM 538 C GLU A 34 -6.014 10.680 4.554 1.00 0.21 C ATOM 539 O GLU A 34 -7.096 11.143 4.192 1.00 0.24 O ATOM 540 CB GLU A 34 -4.542 10.543 2.466 1.00 0.22 C ATOM 541 CG GLU A 34 -5.733 10.697 1.492 1.00 0.65 C ATOM 542 CD GLU A 34 -5.443 11.729 0.419 1.00 1.79 C ATOM 543 OE1 GLU A 34 -5.680 12.929 0.670 1.00 2.37 O ATOM 544 OE2 GLU A 34 -4.981 11.335 -0.673 1.00 2.29 O ATOM 0 H GLU A 34 -3.223 9.940 4.770 1.00 0.17 H new ATOM 0 HA GLU A 34 -4.786 12.265 3.778 1.00 0.18 H new ATOM 0 HB2 GLU A 34 -3.660 10.981 1.998 1.00 0.22 H new ATOM 0 HB3 GLU A 34 -4.341 9.479 2.592 1.00 0.22 H new ATOM 0 HG2 GLU A 34 -5.949 9.736 1.025 1.00 0.65 H new ATOM 0 HG3 GLU A 34 -6.624 10.989 2.048 1.00 0.65 H new ATOM 551 N GLY A 35 -5.933 9.744 5.524 1.00 0.22 N ATOM 552 CA GLY A 35 -7.147 9.288 6.206 1.00 0.26 C ATOM 553 C GLY A 35 -7.831 8.005 5.650 1.00 0.29 C ATOM 554 O GLY A 35 -8.948 7.728 6.087 1.00 0.35 O ATOM 0 H GLY A 35 -5.067 9.306 5.839 1.00 0.22 H new ATOM 0 HA2 GLY A 35 -6.902 9.114 7.254 1.00 0.26 H new ATOM 0 HA3 GLY A 35 -7.875 10.099 6.179 1.00 0.26 H new ATOM 558 N ILE A 36 -7.244 7.193 4.710 1.00 0.27 N ATOM 559 CA ILE A 36 -7.977 5.983 4.278 1.00 0.32 C ATOM 560 C ILE A 36 -7.781 4.871 5.321 1.00 0.31 C ATOM 561 O ILE A 36 -6.645 4.517 5.643 1.00 0.26 O ATOM 562 CB ILE A 36 -7.604 5.475 2.830 1.00 0.34 C ATOM 563 CG1 ILE A 36 -8.704 4.565 2.285 1.00 0.42 C ATOM 564 CG2 ILE A 36 -6.281 4.701 2.817 1.00 0.30 C ATOM 565 CD1 ILE A 36 -8.738 3.194 2.915 1.00 0.95 C ATOM 0 H ILE A 36 -6.335 7.347 4.273 1.00 0.27 H new ATOM 0 HA ILE A 36 -9.029 6.261 4.212 1.00 0.32 H new ATOM 0 HB ILE A 36 -7.498 6.360 2.203 1.00 0.34 H new ATOM 0 HG12 ILE A 36 -9.669 5.048 2.439 1.00 0.42 H new ATOM 0 HG13 ILE A 36 -8.570 4.455 1.209 1.00 0.42 H new ATOM 0 HG21 ILE A 36 -6.063 4.370 1.802 1.00 0.30 H new ATOM 0 HG22 ILE A 36 -5.477 5.348 3.168 1.00 0.30 H new ATOM 0 HG23 ILE A 36 -6.361 3.833 3.472 1.00 0.30 H new ATOM 0 HD11 ILE A 36 -9.546 2.611 2.474 1.00 0.95 H new ATOM 0 HD12 ILE A 36 -7.788 2.689 2.739 1.00 0.95 H new ATOM 0 HD13 ILE A 36 -8.904 3.291 3.988 1.00 0.95 H new ATOM 577 N PRO A 37 -8.872 4.331 5.904 1.00 0.37 N ATOM 578 CA PRO A 37 -8.775 3.248 6.900 1.00 0.39 C ATOM 579 C PRO A 37 -7.884 2.099 6.376 1.00 0.36 C ATOM 580 O PRO A 37 -8.119 1.619 5.271 1.00 0.35 O ATOM 581 CB PRO A 37 -10.260 2.773 7.008 1.00 0.45 C ATOM 582 CG PRO A 37 -11.027 4.022 6.765 1.00 0.49 C ATOM 583 CD PRO A 37 -10.276 4.740 5.675 1.00 0.45 C ATOM 0 HA PRO A 37 -8.335 3.561 7.847 1.00 0.39 H new ATOM 0 HB2 PRO A 37 -10.493 2.006 6.270 1.00 0.45 H new ATOM 0 HB3 PRO A 37 -10.478 2.349 7.988 1.00 0.45 H new ATOM 0 HG2 PRO A 37 -12.050 3.803 6.460 1.00 0.49 H new ATOM 0 HG3 PRO A 37 -11.087 4.629 7.668 1.00 0.49 H new ATOM 0 HD2 PRO A 37 -10.625 4.446 4.685 1.00 0.45 H new ATOM 0 HD3 PRO A 37 -10.397 5.821 5.747 1.00 0.45 H new ATOM 591 N PRO A 38 -6.857 1.624 7.133 1.00 0.35 N ATOM 592 CA PRO A 38 -5.984 0.537 6.652 1.00 0.33 C ATOM 593 C PRO A 38 -6.761 -0.648 6.034 1.00 0.32 C ATOM 594 O PRO A 38 -6.310 -1.226 5.045 1.00 0.32 O ATOM 595 CB PRO A 38 -5.129 0.119 7.905 1.00 0.34 C ATOM 596 CG PRO A 38 -5.872 0.793 9.108 1.00 0.36 C ATOM 597 CD PRO A 38 -6.465 2.082 8.483 1.00 0.38 C ATOM 0 HA PRO A 38 -5.355 0.874 5.828 1.00 0.33 H new ATOM 0 HB2 PRO A 38 -5.087 -0.964 8.017 1.00 0.34 H new ATOM 0 HB3 PRO A 38 -4.101 0.471 7.823 1.00 0.34 H new ATOM 0 HG2 PRO A 38 -6.651 0.147 9.513 1.00 0.36 H new ATOM 0 HG3 PRO A 38 -5.189 1.020 9.927 1.00 0.36 H new ATOM 0 HD2 PRO A 38 -7.318 2.454 9.050 1.00 0.38 H new ATOM 0 HD3 PRO A 38 -5.733 2.889 8.443 1.00 0.38 H new ATOM 605 N ASP A 39 -7.900 -1.044 6.618 1.00 0.32 N ATOM 606 CA ASP A 39 -8.672 -2.172 6.084 1.00 0.35 C ATOM 607 C ASP A 39 -9.435 -1.844 4.792 1.00 0.37 C ATOM 608 O ASP A 39 -9.860 -2.761 4.089 1.00 0.40 O ATOM 609 CB ASP A 39 -9.655 -2.714 7.139 1.00 0.39 C ATOM 610 CG ASP A 39 -10.313 -4.006 6.694 1.00 0.45 C ATOM 611 OD1 ASP A 39 -9.735 -5.084 6.948 1.00 0.47 O ATOM 612 OD2 ASP A 39 -11.405 -3.940 6.093 1.00 0.49 O ATOM 0 H ASP A 39 -8.302 -0.607 7.448 1.00 0.32 H new ATOM 0 HA ASP A 39 -7.935 -2.935 5.833 1.00 0.35 H new ATOM 0 HB2 ASP A 39 -9.124 -2.882 8.076 1.00 0.39 H new ATOM 0 HB3 ASP A 39 -10.423 -1.966 7.337 1.00 0.39 H new ATOM 617 N GLN A 40 -9.618 -0.560 4.464 1.00 0.37 N ATOM 618 CA GLN A 40 -10.399 -0.214 3.263 1.00 0.40 C ATOM 619 C GLN A 40 -9.527 0.126 2.030 1.00 0.37 C ATOM 620 O GLN A 40 -10.038 0.611 1.021 1.00 0.37 O ATOM 621 CB GLN A 40 -11.360 0.973 3.639 1.00 0.44 C ATOM 622 CG GLN A 40 -12.001 1.782 2.484 1.00 0.91 C ATOM 623 CD GLN A 40 -12.932 0.941 1.630 1.00 1.46 C ATOM 624 OE1 GLN A 40 -12.711 -0.254 1.437 1.00 1.94 O ATOM 625 NE2 GLN A 40 -13.988 1.563 1.121 1.00 2.07 N ATOM 0 H GLN A 40 -9.252 0.234 4.989 1.00 0.37 H new ATOM 0 HA GLN A 40 -10.971 -1.091 2.958 1.00 0.40 H new ATOM 0 HB2 GLN A 40 -12.166 0.569 4.252 1.00 0.44 H new ATOM 0 HB3 GLN A 40 -10.802 1.669 4.265 1.00 0.44 H new ATOM 0 HG2 GLN A 40 -12.555 2.624 2.899 1.00 0.91 H new ATOM 0 HG3 GLN A 40 -11.213 2.198 1.855 1.00 0.91 H new ATOM 0 HE21 GLN A 40 -14.133 2.555 1.306 1.00 2.07 H new ATOM 0 HE22 GLN A 40 -14.654 1.049 0.545 1.00 2.07 H new ATOM 634 N GLN A 41 -8.228 -0.158 2.086 1.00 0.35 N ATOM 635 CA GLN A 41 -7.357 0.086 0.885 1.00 0.32 C ATOM 636 C GLN A 41 -6.512 -1.166 0.568 1.00 0.28 C ATOM 637 O GLN A 41 -5.933 -1.752 1.483 1.00 0.30 O ATOM 638 CB GLN A 41 -6.484 1.397 0.942 1.00 0.40 C ATOM 639 CG GLN A 41 -5.085 1.354 1.668 1.00 0.40 C ATOM 640 CD GLN A 41 -5.263 1.223 3.188 1.00 0.67 C ATOM 641 OE1 GLN A 41 -6.273 0.690 3.635 1.00 1.17 O ATOM 642 NE2 GLN A 41 -4.309 1.714 3.998 1.00 0.82 N ATOM 0 H GLN A 41 -7.749 -0.541 2.901 1.00 0.35 H new ATOM 0 HA GLN A 41 -8.043 0.272 0.058 1.00 0.32 H new ATOM 0 HB2 GLN A 41 -6.312 1.723 -0.084 1.00 0.40 H new ATOM 0 HB3 GLN A 41 -7.082 2.169 1.426 1.00 0.40 H new ATOM 0 HG2 GLN A 41 -4.501 0.514 1.292 1.00 0.40 H new ATOM 0 HG3 GLN A 41 -4.524 2.260 1.440 1.00 0.40 H new ATOM 0 HE21 GLN A 41 -3.478 2.153 3.600 1.00 0.82 H new ATOM 0 HE22 GLN A 41 -4.416 1.648 5.010 1.00 0.82 H new ATOM 651 N ARG A 42 -6.431 -1.587 -0.712 1.00 0.24 N ATOM 652 CA ARG A 42 -5.687 -2.808 -1.051 1.00 0.22 C ATOM 653 C ARG A 42 -4.517 -2.521 -1.998 1.00 0.20 C ATOM 654 O ARG A 42 -4.685 -2.086 -3.129 1.00 0.21 O ATOM 655 CB ARG A 42 -6.638 -3.909 -1.673 1.00 0.23 C ATOM 656 CG ARG A 42 -5.909 -4.972 -2.570 1.00 0.26 C ATOM 657 CD ARG A 42 -5.482 -6.233 -1.796 1.00 0.53 C ATOM 658 NE ARG A 42 -6.636 -7.026 -1.382 1.00 0.74 N ATOM 659 CZ ARG A 42 -7.237 -7.916 -2.165 1.00 1.39 C ATOM 660 NH1 ARG A 42 -6.795 -8.123 -3.399 1.00 2.22 N ATOM 661 NH2 ARG A 42 -8.281 -8.597 -1.718 1.00 1.56 N ATOM 0 H ARG A 42 -6.861 -1.111 -1.505 1.00 0.24 H new ATOM 0 HA ARG A 42 -5.276 -3.193 -0.118 1.00 0.22 H new ATOM 0 HB2 ARG A 42 -7.151 -4.427 -0.863 1.00 0.23 H new ATOM 0 HB3 ARG A 42 -7.404 -3.414 -2.270 1.00 0.23 H new ATOM 0 HG2 ARG A 42 -6.570 -5.262 -3.387 1.00 0.26 H new ATOM 0 HG3 ARG A 42 -5.028 -4.515 -3.020 1.00 0.26 H new ATOM 0 HD2 ARG A 42 -4.828 -6.840 -2.421 1.00 0.53 H new ATOM 0 HD3 ARG A 42 -4.905 -5.944 -0.918 1.00 0.53 H new ATOM 0 HE ARG A 42 -7.001 -6.889 -0.439 1.00 0.74 H new ATOM 0 HH11 ARG A 42 -5.993 -7.599 -3.748 1.00 2.22 H new ATOM 0 HH12 ARG A 42 -7.258 -8.806 -3.998 1.00 2.22 H new ATOM 0 HH21 ARG A 42 -8.625 -8.439 -0.771 1.00 1.56 H new ATOM 0 HH22 ARG A 42 -8.741 -9.280 -2.321 1.00 1.56 H new ATOM 675 N LEU A 43 -3.348 -2.872 -1.512 1.00 0.19 N ATOM 676 CA LEU A 43 -2.079 -2.685 -2.262 1.00 0.18 C ATOM 677 C LEU A 43 -1.762 -3.952 -3.057 1.00 0.18 C ATOM 678 O LEU A 43 -1.712 -5.053 -2.501 1.00 0.19 O ATOM 679 CB LEU A 43 -0.872 -2.343 -1.343 1.00 0.19 C ATOM 680 CG LEU A 43 -1.005 -1.064 -0.543 1.00 0.21 C ATOM 681 CD1 LEU A 43 0.354 -0.674 -0.005 1.00 0.26 C ATOM 682 CD2 LEU A 43 -1.585 0.048 -1.396 1.00 0.19 C ATOM 0 H LEU A 43 -3.226 -3.295 -0.592 1.00 0.19 H new ATOM 0 HA LEU A 43 -2.229 -1.835 -2.928 1.00 0.18 H new ATOM 0 HB2 LEU A 43 -0.719 -3.170 -0.650 1.00 0.19 H new ATOM 0 HB3 LEU A 43 0.024 -2.274 -1.960 1.00 0.19 H new ATOM 0 HG LEU A 43 -1.689 -1.230 0.289 1.00 0.21 H new ATOM 0 HD11 LEU A 43 0.266 0.246 0.572 1.00 0.26 H new ATOM 0 HD12 LEU A 43 0.734 -1.470 0.636 1.00 0.26 H new ATOM 0 HD13 LEU A 43 1.043 -0.517 -0.835 1.00 0.26 H new ATOM 0 HD21 LEU A 43 -1.671 0.957 -0.800 1.00 0.19 H new ATOM 0 HD22 LEU A 43 -0.930 0.233 -2.247 1.00 0.19 H new ATOM 0 HD23 LEU A 43 -2.572 -0.245 -1.755 1.00 0.19 H new ATOM 694 N ILE A 44 -1.600 -3.793 -4.366 1.00 0.19 N ATOM 695 CA ILE A 44 -1.341 -4.928 -5.260 1.00 0.21 C ATOM 696 C ILE A 44 -0.058 -4.784 -6.116 1.00 0.25 C ATOM 697 O ILE A 44 0.314 -3.683 -6.520 1.00 0.26 O ATOM 698 CB ILE A 44 -2.565 -5.114 -6.202 1.00 0.23 C ATOM 699 CG1 ILE A 44 -2.331 -6.235 -7.231 1.00 0.47 C ATOM 700 CG2 ILE A 44 -2.880 -3.799 -6.928 1.00 0.39 C ATOM 701 CD1 ILE A 44 -3.120 -7.456 -6.883 1.00 0.63 C ATOM 0 H ILE A 44 -1.643 -2.889 -4.837 1.00 0.19 H new ATOM 0 HA ILE A 44 -1.184 -5.797 -4.621 1.00 0.21 H new ATOM 0 HB ILE A 44 -3.414 -5.401 -5.582 1.00 0.23 H new ATOM 0 HG12 ILE A 44 -2.613 -5.886 -8.224 1.00 0.47 H new ATOM 0 HG13 ILE A 44 -1.270 -6.482 -7.270 1.00 0.47 H new ATOM 0 HG21 ILE A 44 -3.738 -3.942 -7.584 1.00 0.39 H new ATOM 0 HG22 ILE A 44 -3.108 -3.025 -6.196 1.00 0.39 H new ATOM 0 HG23 ILE A 44 -2.017 -3.495 -7.521 1.00 0.39 H new ATOM 0 HD11 ILE A 44 -2.936 -8.232 -7.626 1.00 0.63 H new ATOM 0 HD12 ILE A 44 -2.818 -7.816 -5.900 1.00 0.63 H new ATOM 0 HD13 ILE A 44 -4.182 -7.211 -6.869 1.00 0.63 H new ATOM 713 N PHE A 45 0.598 -5.928 -6.390 1.00 0.28 N ATOM 714 CA PHE A 45 1.849 -5.967 -7.239 1.00 0.35 C ATOM 715 C PHE A 45 1.754 -7.146 -8.251 1.00 0.38 C ATOM 716 O PHE A 45 1.671 -8.301 -7.834 1.00 0.38 O ATOM 717 CB PHE A 45 3.180 -6.151 -6.377 1.00 0.40 C ATOM 718 CG PHE A 45 4.400 -6.689 -7.187 1.00 0.57 C ATOM 719 CD1 PHE A 45 5.272 -5.834 -7.902 1.00 0.64 C ATOM 720 CD2 PHE A 45 4.676 -8.060 -7.250 1.00 0.90 C ATOM 721 CE1 PHE A 45 6.352 -6.350 -8.621 1.00 0.76 C ATOM 722 CE2 PHE A 45 5.751 -8.558 -7.962 1.00 1.08 C ATOM 723 CZ PHE A 45 6.618 -7.615 -8.654 1.00 0.96 C ATOM 0 H PHE A 45 0.301 -6.842 -6.048 1.00 0.28 H new ATOM 0 HA PHE A 45 1.911 -5.007 -7.751 1.00 0.35 H new ATOM 0 HB2 PHE A 45 3.447 -5.192 -5.934 1.00 0.40 H new ATOM 0 HB3 PHE A 45 2.974 -6.836 -5.554 1.00 0.40 H new ATOM 0 HD1 PHE A 45 5.100 -4.768 -7.891 1.00 0.64 H new ATOM 0 HD2 PHE A 45 4.030 -8.749 -6.727 1.00 0.90 H new ATOM 0 HE1 PHE A 45 6.987 -5.669 -9.168 1.00 0.76 H new ATOM 0 HE2 PHE A 45 5.943 -9.620 -8.004 1.00 1.08 H new ATOM 0 HZ PHE A 45 7.482 -7.972 -9.194 1.00 0.96 H new ATOM 733 N ALA A 46 1.774 -6.857 -9.573 1.00 0.43 N ATOM 734 CA ALA A 46 1.691 -7.898 -10.614 1.00 0.47 C ATOM 735 C ALA A 46 0.622 -8.961 -10.328 1.00 0.43 C ATOM 736 O ALA A 46 0.916 -10.156 -10.322 1.00 0.45 O ATOM 737 CB ALA A 46 3.056 -8.563 -10.834 1.00 0.54 C ATOM 0 H ALA A 46 1.847 -5.908 -9.940 1.00 0.43 H new ATOM 0 HA ALA A 46 1.387 -7.386 -11.527 1.00 0.47 H new ATOM 0 HB1 ALA A 46 2.968 -9.327 -11.606 1.00 0.54 H new ATOM 0 HB2 ALA A 46 3.781 -7.811 -11.148 1.00 0.54 H new ATOM 0 HB3 ALA A 46 3.390 -9.024 -9.904 1.00 0.54 H new ATOM 743 N GLY A 47 -0.616 -8.527 -10.092 1.00 0.39 N ATOM 744 CA GLY A 47 -1.708 -9.485 -9.852 1.00 0.36 C ATOM 745 C GLY A 47 -1.616 -10.234 -8.517 1.00 0.31 C ATOM 746 O GLY A 47 -2.267 -11.268 -8.366 1.00 0.31 O ATOM 0 H GLY A 47 -0.889 -7.545 -10.061 1.00 0.39 H new ATOM 0 HA2 GLY A 47 -2.657 -8.951 -9.890 1.00 0.36 H new ATOM 0 HA3 GLY A 47 -1.720 -10.214 -10.663 1.00 0.36 H new ATOM 750 N LYS A 48 -0.830 -9.750 -7.536 1.00 0.30 N ATOM 751 CA LYS A 48 -0.772 -10.428 -6.214 1.00 0.27 C ATOM 752 C LYS A 48 -1.143 -9.414 -5.120 1.00 0.24 C ATOM 753 O LYS A 48 -0.798 -8.237 -5.214 1.00 0.23 O ATOM 754 CB LYS A 48 0.629 -11.060 -5.948 1.00 0.30 C ATOM 755 CG LYS A 48 0.982 -12.296 -6.854 1.00 0.35 C ATOM 756 CD LYS A 48 -0.092 -13.406 -6.799 1.00 0.98 C ATOM 757 CE LYS A 48 0.305 -14.673 -7.599 1.00 1.07 C ATOM 758 NZ LYS A 48 1.736 -14.642 -8.010 1.00 1.14 N ATOM 0 H LYS A 48 -0.242 -8.921 -7.621 1.00 0.30 H new ATOM 0 HA LYS A 48 -1.487 -11.251 -6.206 1.00 0.27 H new ATOM 0 HB2 LYS A 48 1.390 -10.293 -6.092 1.00 0.30 H new ATOM 0 HB3 LYS A 48 0.680 -11.367 -4.904 1.00 0.30 H new ATOM 0 HG2 LYS A 48 1.101 -11.963 -7.885 1.00 0.35 H new ATOM 0 HG3 LYS A 48 1.941 -12.709 -6.540 1.00 0.35 H new ATOM 0 HD2 LYS A 48 -0.270 -13.680 -5.759 1.00 0.98 H new ATOM 0 HD3 LYS A 48 -1.031 -13.015 -7.191 1.00 0.98 H new ATOM 0 HE2 LYS A 48 0.120 -15.559 -6.992 1.00 1.07 H new ATOM 0 HE3 LYS A 48 -0.326 -14.756 -8.484 1.00 1.07 H new ATOM 0 HZ1 LYS A 48 1.963 -15.506 -8.542 1.00 1.14 H new ATOM 0 HZ2 LYS A 48 1.907 -13.810 -8.611 1.00 1.14 H new ATOM 0 HZ3 LYS A 48 2.339 -14.588 -7.164 1.00 1.14 H new ATOM 772 N GLN A 49 -1.834 -9.886 -4.081 1.00 0.23 N ATOM 773 CA GLN A 49 -2.334 -9.021 -3.006 1.00 0.22 C ATOM 774 C GLN A 49 -1.388 -8.971 -1.805 1.00 0.21 C ATOM 775 O GLN A 49 -0.856 -9.986 -1.356 1.00 0.24 O ATOM 776 CB GLN A 49 -3.776 -9.457 -2.618 1.00 0.27 C ATOM 777 CG GLN A 49 -4.108 -9.501 -1.116 1.00 0.84 C ATOM 778 CD GLN A 49 -3.339 -10.573 -0.363 1.00 1.79 C ATOM 779 OE1 GLN A 49 -3.038 -11.676 -1.040 1.00 2.45 O flip ATOM 780 NE2 GLN A 49 -3.022 -10.411 0.814 1.00 2.51 N flip ATOM 0 H GLN A 49 -2.063 -10.872 -3.959 1.00 0.23 H new ATOM 0 HA GLN A 49 -2.373 -7.996 -3.376 1.00 0.22 H new ATOM 0 HB2 GLN A 49 -4.478 -8.777 -3.101 1.00 0.27 H new ATOM 0 HB3 GLN A 49 -3.955 -10.448 -3.034 1.00 0.27 H new ATOM 0 HG2 GLN A 49 -3.890 -8.529 -0.674 1.00 0.84 H new ATOM 0 HG3 GLN A 49 -5.177 -9.675 -0.992 1.00 0.84 H new ATOM 0 HE21 GLN A 49 -3.274 -9.548 1.296 1.00 2.51 H new ATOM 0 HE22 GLN A 49 -2.507 -11.140 1.309 1.00 2.51 H new ATOM 789 N LEU A 50 -1.179 -7.744 -1.317 1.00 0.18 N ATOM 790 CA LEU A 50 -0.255 -7.484 -0.200 1.00 0.18 C ATOM 791 C LEU A 50 -0.978 -7.732 1.124 1.00 0.18 C ATOM 792 O LEU A 50 -2.086 -7.239 1.334 1.00 0.18 O ATOM 793 CB LEU A 50 0.296 -6.000 -0.194 1.00 0.20 C ATOM 794 CG LEU A 50 0.924 -5.411 -1.508 1.00 0.29 C ATOM 795 CD1 LEU A 50 2.236 -4.720 -1.193 1.00 0.84 C ATOM 796 CD2 LEU A 50 1.170 -6.485 -2.565 1.00 0.77 C ATOM 0 H LEU A 50 -1.639 -6.908 -1.678 1.00 0.18 H new ATOM 0 HA LEU A 50 0.592 -8.158 -0.325 1.00 0.18 H new ATOM 0 HB2 LEU A 50 -0.525 -5.346 0.099 1.00 0.20 H new ATOM 0 HB3 LEU A 50 1.051 -5.933 0.589 1.00 0.20 H new ATOM 0 HG LEU A 50 0.206 -4.697 -1.911 1.00 0.29 H new ATOM 0 HD11 LEU A 50 2.663 -4.315 -2.110 1.00 0.84 H new ATOM 0 HD12 LEU A 50 2.060 -3.909 -0.486 1.00 0.84 H new ATOM 0 HD13 LEU A 50 2.930 -5.438 -0.756 1.00 0.84 H new ATOM 0 HD21 LEU A 50 1.605 -6.028 -3.454 1.00 0.77 H new ATOM 0 HD22 LEU A 50 1.856 -7.234 -2.170 1.00 0.77 H new ATOM 0 HD23 LEU A 50 0.225 -6.961 -2.827 1.00 0.77 H new ATOM 808 N GLU A 51 -0.347 -8.495 2.014 1.00 0.17 N ATOM 809 CA GLU A 51 -0.935 -8.807 3.296 1.00 0.17 C ATOM 810 C GLU A 51 -0.277 -7.929 4.346 1.00 0.17 C ATOM 811 O GLU A 51 0.942 -7.933 4.501 1.00 0.18 O ATOM 812 CB GLU A 51 -0.671 -10.292 3.673 1.00 0.17 C ATOM 813 CG GLU A 51 -1.739 -10.979 4.544 1.00 0.67 C ATOM 814 CD GLU A 51 -2.128 -10.147 5.752 1.00 1.19 C ATOM 815 OE1 GLU A 51 -3.006 -9.271 5.611 1.00 1.49 O ATOM 816 OE2 GLU A 51 -1.553 -10.375 6.837 1.00 1.45 O ATOM 0 H GLU A 51 0.574 -8.905 1.861 1.00 0.17 H new ATOM 0 HA GLU A 51 -2.010 -8.636 3.247 1.00 0.17 H new ATOM 0 HB2 GLU A 51 -0.562 -10.864 2.752 1.00 0.17 H new ATOM 0 HB3 GLU A 51 0.283 -10.347 4.197 1.00 0.17 H new ATOM 0 HG2 GLU A 51 -2.625 -11.173 3.940 1.00 0.67 H new ATOM 0 HG3 GLU A 51 -1.363 -11.946 4.879 1.00 0.67 H new ATOM 823 N ASP A 52 -1.097 -7.156 5.028 1.00 0.19 N ATOM 824 CA ASP A 52 -0.639 -6.262 6.083 1.00 0.23 C ATOM 825 C ASP A 52 0.411 -6.939 6.966 1.00 0.24 C ATOM 826 O ASP A 52 1.248 -6.270 7.572 1.00 0.30 O ATOM 827 CB ASP A 52 -1.833 -5.814 6.943 1.00 0.26 C ATOM 828 CG ASP A 52 -2.879 -5.070 6.135 1.00 0.29 C ATOM 829 OD1 ASP A 52 -2.731 -3.841 5.962 1.00 0.84 O ATOM 830 OD2 ASP A 52 -3.844 -5.714 5.673 1.00 0.72 O ATOM 0 H ASP A 52 -2.104 -7.127 4.869 1.00 0.19 H new ATOM 0 HA ASP A 52 -0.179 -5.392 5.614 1.00 0.23 H new ATOM 0 HB2 ASP A 52 -2.290 -6.687 7.408 1.00 0.26 H new ATOM 0 HB3 ASP A 52 -1.477 -5.173 7.749 1.00 0.26 H new ATOM 835 N GLY A 53 0.355 -8.272 7.037 1.00 0.20 N ATOM 836 CA GLY A 53 1.296 -9.011 7.882 1.00 0.22 C ATOM 837 C GLY A 53 2.641 -9.429 7.222 1.00 0.25 C ATOM 838 O GLY A 53 3.566 -9.748 7.969 1.00 0.28 O ATOM 0 H GLY A 53 -0.316 -8.851 6.532 1.00 0.20 H new ATOM 0 HA2 GLY A 53 1.520 -8.401 8.757 1.00 0.22 H new ATOM 0 HA3 GLY A 53 0.798 -9.912 8.241 1.00 0.22 H new ATOM 842 N ARG A 54 2.819 -9.450 5.860 1.00 0.27 N ATOM 843 CA ARG A 54 4.153 -9.865 5.320 1.00 0.32 C ATOM 844 C ARG A 54 4.968 -8.587 5.088 1.00 0.32 C ATOM 845 O ARG A 54 4.375 -7.522 4.918 1.00 0.31 O ATOM 846 CB ARG A 54 4.018 -10.639 3.913 1.00 0.37 C ATOM 847 CG ARG A 54 5.271 -11.553 3.432 1.00 0.96 C ATOM 848 CD ARG A 54 5.224 -13.075 3.870 1.00 1.95 C ATOM 849 NE ARG A 54 4.848 -13.212 5.275 1.00 2.48 N ATOM 850 CZ ARG A 54 5.430 -14.063 6.116 1.00 3.39 C ATOM 851 NH1 ARG A 54 6.416 -14.846 5.699 1.00 3.81 N ATOM 852 NH2 ARG A 54 5.027 -14.128 7.377 1.00 3.98 N ATOM 0 H ARG A 54 2.114 -9.204 5.165 1.00 0.27 H new ATOM 0 HA ARG A 54 4.628 -10.541 6.032 1.00 0.32 H new ATOM 0 HB2 ARG A 54 3.137 -11.278 3.965 1.00 0.37 H new ATOM 0 HB3 ARG A 54 3.828 -9.896 3.138 1.00 0.37 H new ATOM 0 HG2 ARG A 54 5.332 -11.509 2.345 1.00 0.96 H new ATOM 0 HG3 ARG A 54 6.189 -11.111 3.820 1.00 0.96 H new ATOM 0 HD2 ARG A 54 4.510 -13.613 3.246 1.00 1.95 H new ATOM 0 HD3 ARG A 54 6.199 -13.533 3.706 1.00 1.95 H new ATOM 0 HE ARG A 54 4.097 -12.622 5.632 1.00 2.48 H new ATOM 0 HH11 ARG A 54 6.731 -14.797 4.730 1.00 3.81 H new ATOM 0 HH12 ARG A 54 6.859 -15.497 6.347 1.00 3.81 H new ATOM 0 HH21 ARG A 54 4.271 -13.526 7.702 1.00 3.98 H new ATOM 0 HH22 ARG A 54 5.473 -14.780 8.022 1.00 3.98 H new ATOM 866 N THR A 55 6.310 -8.653 5.075 1.00 0.35 N ATOM 867 CA THR A 55 7.062 -7.399 4.810 1.00 0.38 C ATOM 868 C THR A 55 7.314 -7.238 3.303 1.00 0.42 C ATOM 869 O THR A 55 7.361 -8.221 2.562 1.00 0.44 O ATOM 870 CB THR A 55 8.402 -7.277 5.588 1.00 0.44 C ATOM 871 OG1 THR A 55 9.304 -8.309 5.190 1.00 0.81 O ATOM 872 CG2 THR A 55 8.159 -7.383 7.081 1.00 0.65 C ATOM 0 H THR A 55 6.870 -9.491 5.231 1.00 0.35 H new ATOM 0 HA THR A 55 6.427 -6.593 5.178 1.00 0.38 H new ATOM 0 HB THR A 55 8.838 -6.304 5.359 1.00 0.44 H new ATOM 0 HG1 THR A 55 10.126 -8.248 5.721 1.00 0.81 H new ATOM 0 HG21 THR A 55 9.107 -7.296 7.611 1.00 0.65 H new ATOM 0 HG22 THR A 55 7.491 -6.583 7.399 1.00 0.65 H new ATOM 0 HG23 THR A 55 7.704 -8.347 7.308 1.00 0.65 H new ATOM 880 N LEU A 56 7.477 -5.984 2.868 1.00 0.43 N ATOM 881 CA LEU A 56 7.676 -5.698 1.435 1.00 0.49 C ATOM 882 C LEU A 56 8.901 -6.447 0.889 1.00 0.53 C ATOM 883 O LEU A 56 9.074 -6.539 -0.327 1.00 0.59 O ATOM 884 CB LEU A 56 7.726 -4.164 1.094 1.00 0.51 C ATOM 885 CG LEU A 56 7.248 -3.180 2.198 1.00 0.51 C ATOM 886 CD1 LEU A 56 8.398 -2.722 3.101 1.00 0.50 C ATOM 887 CD2 LEU A 56 6.592 -1.906 1.623 1.00 0.79 C ATOM 0 H LEU A 56 7.476 -5.162 3.471 1.00 0.43 H new ATOM 0 HA LEU A 56 6.789 -6.074 0.925 1.00 0.49 H new ATOM 0 HB2 LEU A 56 8.753 -3.908 0.834 1.00 0.51 H new ATOM 0 HB3 LEU A 56 7.120 -3.995 0.204 1.00 0.51 H new ATOM 0 HG LEU A 56 6.514 -3.749 2.770 1.00 0.51 H new ATOM 0 HD11 LEU A 56 8.016 -2.036 3.857 1.00 0.50 H new ATOM 0 HD12 LEU A 56 8.844 -3.588 3.589 1.00 0.50 H new ATOM 0 HD13 LEU A 56 9.153 -2.216 2.500 1.00 0.50 H new ATOM 0 HD21 LEU A 56 6.279 -1.257 2.441 1.00 0.79 H new ATOM 0 HD22 LEU A 56 7.311 -1.378 0.996 1.00 0.79 H new ATOM 0 HD23 LEU A 56 5.723 -2.182 1.025 1.00 0.79 H new ATOM 899 N SER A 57 9.753 -6.981 1.775 1.00 0.54 N ATOM 900 CA SER A 57 10.938 -7.718 1.344 1.00 0.63 C ATOM 901 C SER A 57 10.527 -8.978 0.587 1.00 0.73 C ATOM 902 O SER A 57 11.016 -9.260 -0.517 1.00 0.79 O ATOM 903 CB SER A 57 11.795 -8.123 2.571 1.00 0.71 C ATOM 904 OG SER A 57 11.053 -8.961 3.439 1.00 1.71 O ATOM 0 H SER A 57 9.641 -6.915 2.787 1.00 0.54 H new ATOM 0 HA SER A 57 11.523 -7.072 0.689 1.00 0.63 H new ATOM 0 HB2 SER A 57 12.695 -8.640 2.239 1.00 0.71 H new ATOM 0 HB3 SER A 57 12.119 -7.231 3.106 1.00 0.71 H new ATOM 0 HG SER A 57 10.405 -8.422 3.939 1.00 1.71 H new ATOM 910 N ASP A 58 9.559 -9.695 1.153 1.00 0.77 N ATOM 911 CA ASP A 58 9.126 -10.961 0.564 1.00 0.87 C ATOM 912 C ASP A 58 8.503 -10.723 -0.799 1.00 0.87 C ATOM 913 O ASP A 58 8.550 -11.597 -1.665 1.00 0.92 O ATOM 914 CB ASP A 58 8.104 -11.699 1.475 1.00 0.93 C ATOM 915 CG ASP A 58 8.667 -12.993 2.026 1.00 1.06 C ATOM 916 OD1 ASP A 58 8.586 -14.022 1.324 1.00 1.15 O ATOM 917 OD2 ASP A 58 9.190 -12.976 3.161 1.00 1.11 O ATOM 0 H ASP A 58 9.066 -9.428 2.005 1.00 0.77 H new ATOM 0 HA ASP A 58 10.010 -11.590 0.460 1.00 0.87 H new ATOM 0 HB2 ASP A 58 7.818 -11.048 2.301 1.00 0.93 H new ATOM 0 HB3 ASP A 58 7.198 -11.910 0.907 1.00 0.93 H new ATOM 922 N TYR A 59 7.922 -9.547 -1.003 1.00 0.84 N ATOM 923 CA TYR A 59 7.356 -9.238 -2.301 1.00 0.84 C ATOM 924 C TYR A 59 8.368 -8.451 -3.141 1.00 0.82 C ATOM 925 O TYR A 59 7.982 -7.501 -3.800 1.00 0.80 O ATOM 926 CB TYR A 59 6.013 -8.463 -2.203 1.00 0.88 C ATOM 927 CG TYR A 59 4.829 -9.350 -2.268 1.00 0.80 C ATOM 928 CD1 TYR A 59 4.596 -10.202 -3.346 1.00 1.19 C ATOM 929 CD2 TYR A 59 3.919 -9.290 -1.264 1.00 0.66 C ATOM 930 CE1 TYR A 59 3.455 -10.972 -3.395 1.00 1.47 C ATOM 931 CE2 TYR A 59 2.788 -10.049 -1.298 1.00 0.95 C ATOM 932 CZ TYR A 59 2.545 -10.888 -2.365 1.00 1.36 C ATOM 933 OH TYR A 59 1.399 -11.649 -2.396 1.00 1.77 O ATOM 0 H TYR A 59 7.833 -8.811 -0.303 1.00 0.84 H new ATOM 0 HA TYR A 59 7.135 -10.187 -2.789 1.00 0.84 H new ATOM 0 HB2 TYR A 59 5.990 -7.903 -1.268 1.00 0.88 H new ATOM 0 HB3 TYR A 59 5.960 -7.735 -3.012 1.00 0.88 H new ATOM 0 HD1 TYR A 59 5.316 -10.259 -4.149 1.00 1.19 H new ATOM 0 HD2 TYR A 59 4.093 -8.631 -0.426 1.00 0.66 H new ATOM 0 HE1 TYR A 59 3.276 -11.633 -4.230 1.00 1.47 H new ATOM 0 HE2 TYR A 59 2.079 -9.993 -0.486 1.00 0.95 H new ATOM 0 HH TYR A 59 0.646 -11.121 -2.057 1.00 1.77 H new ATOM 943 N ASN A 60 9.619 -8.976 -3.205 1.00 0.84 N ATOM 944 CA ASN A 60 10.770 -8.390 -3.994 1.00 0.84 C ATOM 945 C ASN A 60 10.618 -6.954 -4.564 1.00 0.76 C ATOM 946 O ASN A 60 11.412 -6.561 -5.415 1.00 0.80 O ATOM 947 CB ASN A 60 11.040 -9.276 -5.240 1.00 0.95 C ATOM 948 CG ASN A 60 9.764 -9.467 -6.104 1.00 1.01 C ATOM 949 OD1 ASN A 60 8.949 -8.398 -6.394 1.00 1.12 O flip ATOM 950 ND2 ASN A 60 9.505 -10.588 -6.541 1.00 0.96 N flip ATOM 0 H ASN A 60 9.875 -9.829 -2.709 1.00 0.84 H new ATOM 0 HA ASN A 60 11.561 -8.352 -3.245 1.00 0.84 H new ATOM 0 HB2 ASN A 60 11.824 -8.821 -5.846 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.410 -10.250 -4.919 1.00 0.95 H new ATOM 0 HD21 ASN A 60 10.115 -11.375 -6.321 1.00 0.96 H new ATOM 0 HD22 ASN A 60 8.680 -10.730 -7.124 1.00 0.96 H new ATOM 957 N ILE A 61 9.627 -6.191 -4.147 1.00 0.68 N ATOM 958 CA ILE A 61 9.454 -4.837 -4.676 1.00 0.63 C ATOM 959 C ILE A 61 10.659 -3.982 -4.281 1.00 0.50 C ATOM 960 O ILE A 61 11.005 -3.909 -3.102 1.00 0.42 O ATOM 961 CB ILE A 61 8.157 -4.175 -4.126 1.00 0.59 C ATOM 962 CG1 ILE A 61 6.912 -4.823 -4.761 1.00 0.84 C ATOM 963 CG2 ILE A 61 8.148 -2.692 -4.414 1.00 0.61 C ATOM 964 CD1 ILE A 61 5.588 -4.157 -4.398 1.00 0.92 C ATOM 0 H ILE A 61 8.934 -6.473 -3.454 1.00 0.68 H new ATOM 0 HA ILE A 61 9.373 -4.903 -5.761 1.00 0.63 H new ATOM 0 HB ILE A 61 8.135 -4.328 -3.047 1.00 0.59 H new ATOM 0 HG12 ILE A 61 7.025 -4.808 -5.845 1.00 0.84 H new ATOM 0 HG13 ILE A 61 6.871 -5.870 -4.459 1.00 0.84 H new ATOM 0 HG21 ILE A 61 7.232 -2.251 -4.021 1.00 0.61 H new ATOM 0 HG22 ILE A 61 9.010 -2.224 -3.939 1.00 0.61 H new ATOM 0 HG23 ILE A 61 8.195 -2.530 -5.491 1.00 0.61 H new ATOM 0 HD11 ILE A 61 4.770 -4.682 -4.891 1.00 0.92 H new ATOM 0 HD12 ILE A 61 5.445 -4.196 -3.318 1.00 0.92 H new ATOM 0 HD13 ILE A 61 5.602 -3.117 -4.725 1.00 0.92 H new ATOM 976 N GLN A 62 11.300 -3.335 -5.257 1.00 0.51 N ATOM 977 CA GLN A 62 12.479 -2.495 -4.946 1.00 0.44 C ATOM 978 C GLN A 62 12.070 -1.024 -4.812 1.00 0.31 C ATOM 979 O GLN A 62 10.919 -0.657 -5.018 1.00 0.29 O ATOM 980 CB GLN A 62 13.611 -2.616 -6.044 1.00 0.56 C ATOM 981 CG GLN A 62 14.573 -3.825 -5.898 1.00 1.16 C ATOM 982 CD GLN A 62 13.842 -5.140 -5.739 1.00 1.77 C ATOM 983 OE1 GLN A 62 13.515 -5.805 -6.722 1.00 2.24 O ATOM 984 NE2 GLN A 62 13.590 -5.526 -4.493 1.00 2.50 N ATOM 0 H GLN A 62 11.040 -3.368 -6.243 1.00 0.51 H new ATOM 0 HA GLN A 62 12.881 -2.861 -4.001 1.00 0.44 H new ATOM 0 HB2 GLN A 62 13.135 -2.671 -7.023 1.00 0.56 H new ATOM 0 HB3 GLN A 62 14.204 -1.701 -6.029 1.00 0.56 H new ATOM 0 HG2 GLN A 62 15.219 -3.877 -6.774 1.00 1.16 H new ATOM 0 HG3 GLN A 62 15.219 -3.667 -5.035 1.00 1.16 H new ATOM 0 HE21 GLN A 62 13.880 -4.941 -3.709 1.00 2.50 H new ATOM 0 HE22 GLN A 62 13.106 -6.407 -4.320 1.00 2.50 H new ATOM 993 N LYS A 63 13.041 -0.205 -4.433 1.00 0.30 N ATOM 994 CA LYS A 63 12.846 1.239 -4.260 1.00 0.24 C ATOM 995 C LYS A 63 12.182 1.923 -5.468 1.00 0.21 C ATOM 996 O LYS A 63 12.512 1.642 -6.621 1.00 0.24 O ATOM 997 CB LYS A 63 14.195 1.938 -3.979 1.00 0.34 C ATOM 998 CG LYS A 63 15.400 1.010 -4.041 1.00 1.31 C ATOM 999 CD LYS A 63 16.707 1.764 -3.834 1.00 1.67 C ATOM 1000 CE LYS A 63 17.053 2.637 -5.032 1.00 2.63 C ATOM 1001 NZ LYS A 63 16.346 3.947 -4.997 1.00 2.96 N ATOM 0 H LYS A 63 13.991 -0.518 -4.235 1.00 0.30 H new ATOM 0 HA LYS A 63 12.170 1.342 -3.411 1.00 0.24 H new ATOM 0 HB2 LYS A 63 14.332 2.743 -4.701 1.00 0.34 H new ATOM 0 HB3 LYS A 63 14.155 2.398 -2.992 1.00 0.34 H new ATOM 0 HG2 LYS A 63 15.302 0.236 -3.279 1.00 1.31 H new ATOM 0 HG3 LYS A 63 15.421 0.505 -5.007 1.00 1.31 H new ATOM 0 HD2 LYS A 63 16.631 2.385 -2.942 1.00 1.67 H new ATOM 0 HD3 LYS A 63 17.513 1.052 -3.658 1.00 1.67 H new ATOM 0 HE2 LYS A 63 18.129 2.808 -5.056 1.00 2.63 H new ATOM 0 HE3 LYS A 63 16.793 2.110 -5.950 1.00 2.63 H new ATOM 0 HZ1 LYS A 63 15.649 3.986 -5.768 1.00 2.96 H new ATOM 0 HZ2 LYS A 63 15.859 4.054 -4.085 1.00 2.96 H new ATOM 0 HZ3 LYS A 63 17.035 4.717 -5.114 1.00 2.96 H new ATOM 1015 N GLU A 64 11.230 2.811 -5.163 1.00 0.19 N ATOM 1016 CA GLU A 64 10.548 3.646 -6.179 1.00 0.21 C ATOM 1017 C GLU A 64 9.514 2.886 -7.020 1.00 0.24 C ATOM 1018 O GLU A 64 9.293 3.224 -8.183 1.00 0.31 O ATOM 1019 CB GLU A 64 11.590 4.345 -7.107 1.00 0.25 C ATOM 1020 CG GLU A 64 11.020 5.525 -7.911 1.00 0.30 C ATOM 1021 CD GLU A 64 11.956 5.972 -9.017 1.00 1.40 C ATOM 1022 OE1 GLU A 64 12.807 6.847 -8.756 1.00 1.59 O ATOM 1023 OE2 GLU A 64 11.838 5.444 -10.143 1.00 2.25 O ATOM 0 H GLU A 64 10.905 2.977 -4.210 1.00 0.19 H new ATOM 0 HA GLU A 64 9.991 4.396 -5.618 1.00 0.21 H new ATOM 0 HB2 GLU A 64 12.421 4.701 -6.499 1.00 0.25 H new ATOM 0 HB3 GLU A 64 11.995 3.608 -7.801 1.00 0.25 H new ATOM 0 HG2 GLU A 64 10.061 5.238 -8.343 1.00 0.30 H new ATOM 0 HG3 GLU A 64 10.829 6.362 -7.239 1.00 0.30 H new ATOM 1030 N SER A 65 8.881 1.862 -6.453 1.00 0.24 N ATOM 1031 CA SER A 65 7.862 1.102 -7.213 1.00 0.28 C ATOM 1032 C SER A 65 6.470 1.743 -7.044 1.00 0.20 C ATOM 1033 O SER A 65 6.183 2.370 -5.999 1.00 0.17 O ATOM 1034 CB SER A 65 7.829 -0.385 -6.734 1.00 0.41 C ATOM 1035 OG SER A 65 9.144 -0.879 -6.577 1.00 1.30 O ATOM 0 H SER A 65 9.040 1.537 -5.499 1.00 0.24 H new ATOM 0 HA SER A 65 8.130 1.128 -8.269 1.00 0.28 H new ATOM 0 HB2 SER A 65 7.291 -0.458 -5.789 1.00 0.41 H new ATOM 0 HB3 SER A 65 7.288 -0.995 -7.457 1.00 0.41 H new ATOM 0 HG SER A 65 9.489 -0.618 -5.698 1.00 1.30 H new ATOM 1041 N THR A 66 5.610 1.662 -8.080 1.00 0.23 N ATOM 1042 CA THR A 66 4.245 2.158 -7.926 1.00 0.19 C ATOM 1043 C THR A 66 3.251 0.992 -7.798 1.00 0.18 C ATOM 1044 O THR A 66 3.132 0.157 -8.694 1.00 0.23 O ATOM 1045 CB THR A 66 3.825 3.066 -9.110 1.00 0.25 C ATOM 1046 OG1 THR A 66 4.585 4.280 -9.087 1.00 0.25 O ATOM 1047 CG2 THR A 66 2.341 3.394 -9.034 1.00 0.33 C ATOM 0 H THR A 66 5.833 1.272 -8.996 1.00 0.23 H new ATOM 0 HA THR A 66 4.225 2.753 -7.013 1.00 0.19 H new ATOM 0 HB THR A 66 4.020 2.531 -10.040 1.00 0.25 H new ATOM 0 HG1 THR A 66 4.316 4.849 -9.839 1.00 0.25 H new ATOM 0 HG21 THR A 66 2.066 4.032 -9.874 1.00 0.33 H new ATOM 0 HG22 THR A 66 1.762 2.471 -9.074 1.00 0.33 H new ATOM 0 HG23 THR A 66 2.131 3.914 -8.099 1.00 0.33 H new ATOM 1055 N LEU A 67 2.545 0.955 -6.664 1.00 0.17 N ATOM 1056 CA LEU A 67 1.536 -0.079 -6.380 1.00 0.20 C ATOM 1057 C LEU A 67 0.113 0.482 -6.569 1.00 0.20 C ATOM 1058 O LEU A 67 -0.105 1.686 -6.425 1.00 0.19 O ATOM 1059 CB LEU A 67 1.749 -0.559 -4.922 1.00 0.22 C ATOM 1060 CG LEU A 67 2.898 -1.560 -4.787 1.00 0.24 C ATOM 1061 CD1 LEU A 67 3.848 -1.157 -3.667 1.00 0.30 C ATOM 1062 CD2 LEU A 67 2.389 -2.975 -4.540 1.00 0.31 C ATOM 0 H LEU A 67 2.654 1.639 -5.915 1.00 0.17 H new ATOM 0 HA LEU A 67 1.647 -0.915 -7.071 1.00 0.20 H new ATOM 0 HB2 LEU A 67 1.949 0.304 -4.286 1.00 0.22 H new ATOM 0 HB3 LEU A 67 0.830 -1.017 -4.558 1.00 0.22 H new ATOM 0 HG LEU A 67 3.438 -1.549 -5.734 1.00 0.24 H new ATOM 0 HD11 LEU A 67 4.655 -1.886 -3.594 1.00 0.30 H new ATOM 0 HD12 LEU A 67 4.266 -0.173 -3.881 1.00 0.30 H new ATOM 0 HD13 LEU A 67 3.304 -1.122 -2.723 1.00 0.30 H new ATOM 0 HD21 LEU A 67 3.236 -3.656 -4.450 1.00 0.31 H new ATOM 0 HD22 LEU A 67 1.806 -2.997 -3.619 1.00 0.31 H new ATOM 0 HD23 LEU A 67 1.760 -3.286 -5.374 1.00 0.31 H new ATOM 1074 N HIS A 68 -0.851 -0.396 -6.890 1.00 0.21 N ATOM 1075 CA HIS A 68 -2.254 0.051 -7.116 1.00 0.21 C ATOM 1076 C HIS A 68 -3.098 -0.210 -5.853 1.00 0.20 C ATOM 1077 O HIS A 68 -3.238 -1.358 -5.427 1.00 0.20 O ATOM 1078 CB HIS A 68 -2.914 -0.654 -8.363 1.00 0.22 C ATOM 1079 CG HIS A 68 -3.389 0.326 -9.390 1.00 0.24 C ATOM 1080 ND1 HIS A 68 -4.722 0.511 -9.694 1.00 0.86 N ATOM 1081 CD2 HIS A 68 -2.702 1.173 -10.193 1.00 0.92 C ATOM 1082 CE1 HIS A 68 -4.833 1.428 -10.639 1.00 0.62 C ATOM 1083 NE2 HIS A 68 -3.623 1.846 -10.958 1.00 0.56 N ATOM 0 H HIS A 68 -0.701 -1.399 -6.999 1.00 0.21 H new ATOM 0 HA HIS A 68 -2.226 1.120 -7.327 1.00 0.21 H new ATOM 0 HB2 HIS A 68 -2.191 -1.331 -8.818 1.00 0.22 H new ATOM 0 HB3 HIS A 68 -3.755 -1.262 -8.030 1.00 0.22 H new ATOM 0 HD2 HIS A 68 -1.630 1.296 -10.226 1.00 0.92 H new ATOM 0 HE1 HIS A 68 -5.757 1.776 -11.076 1.00 0.62 H new ATOM 0 HE2 HIS A 68 -3.407 2.554 -11.659 1.00 0.56 H new ATOM 1092 N SER A 69 -3.636 0.848 -5.229 1.00 0.21 N ATOM 1093 CA SER A 69 -4.472 0.666 -4.014 1.00 0.21 C ATOM 1094 C SER A 69 -5.930 0.530 -4.428 1.00 0.22 C ATOM 1095 O SER A 69 -6.452 1.395 -5.134 1.00 0.24 O ATOM 1096 CB SER A 69 -4.325 1.841 -3.015 1.00 0.23 C ATOM 1097 OG SER A 69 -4.857 1.485 -1.751 1.00 0.26 O ATOM 0 H SER A 69 -3.518 1.816 -5.528 1.00 0.21 H new ATOM 0 HA SER A 69 -4.129 -0.236 -3.507 1.00 0.21 H new ATOM 0 HB2 SER A 69 -3.274 2.109 -2.912 1.00 0.23 H new ATOM 0 HB3 SER A 69 -4.842 2.720 -3.400 1.00 0.23 H new ATOM 0 HG SER A 69 -4.372 1.963 -1.046 1.00 0.26 H new ATOM 1103 N VAL A 70 -6.602 -0.544 -4.002 1.00 0.23 N ATOM 1104 CA VAL A 70 -8.019 -0.718 -4.413 1.00 0.27 C ATOM 1105 C VAL A 70 -8.933 -0.907 -3.197 1.00 0.29 C ATOM 1106 O VAL A 70 -8.517 -1.425 -2.165 1.00 0.27 O ATOM 1107 CB VAL A 70 -8.215 -1.922 -5.411 1.00 0.32 C ATOM 1108 CG1 VAL A 70 -7.721 -3.214 -4.791 1.00 0.89 C ATOM 1109 CG2 VAL A 70 -9.680 -2.066 -5.801 1.00 0.99 C ATOM 0 H VAL A 70 -6.223 -1.278 -3.403 1.00 0.23 H new ATOM 0 HA VAL A 70 -8.297 0.199 -4.933 1.00 0.27 H new ATOM 0 HB VAL A 70 -7.631 -1.713 -6.308 1.00 0.32 H new ATOM 0 HG11 VAL A 70 -7.865 -4.034 -5.495 1.00 0.89 H new ATOM 0 HG12 VAL A 70 -6.661 -3.122 -4.553 1.00 0.89 H new ATOM 0 HG13 VAL A 70 -8.281 -3.417 -3.878 1.00 0.89 H new ATOM 0 HG21 VAL A 70 -9.792 -2.903 -6.490 1.00 0.99 H new ATOM 0 HG22 VAL A 70 -10.278 -2.248 -4.908 1.00 0.99 H new ATOM 0 HG23 VAL A 70 -10.020 -1.150 -6.284 1.00 0.99 H new ATOM 1119 N LEU A 71 -10.194 -0.491 -3.344 1.00 0.36 N ATOM 1120 CA LEU A 71 -11.175 -0.603 -2.234 1.00 0.41 C ATOM 1121 C LEU A 71 -11.958 -1.908 -2.326 1.00 0.48 C ATOM 1122 O LEU A 71 -12.210 -2.422 -3.417 1.00 0.52 O ATOM 1123 CB LEU A 71 -12.159 0.604 -2.194 1.00 0.49 C ATOM 1124 CG LEU A 71 -11.596 1.860 -1.535 1.00 0.55 C ATOM 1125 CD1 LEU A 71 -10.503 2.471 -2.386 1.00 0.91 C ATOM 1126 CD2 LEU A 71 -12.703 2.862 -1.324 1.00 0.86 C ATOM 0 H LEU A 71 -10.566 -0.079 -4.200 1.00 0.36 H new ATOM 0 HA LEU A 71 -10.601 -0.596 -1.308 1.00 0.41 H new ATOM 0 HB2 LEU A 71 -12.457 0.847 -3.214 1.00 0.49 H new ATOM 0 HB3 LEU A 71 -13.061 0.303 -1.661 1.00 0.49 H new ATOM 0 HG LEU A 71 -11.166 1.584 -0.572 1.00 0.55 H new ATOM 0 HD11 LEU A 71 -10.117 3.365 -1.896 1.00 0.91 H new ATOM 0 HD12 LEU A 71 -9.696 1.750 -2.514 1.00 0.91 H new ATOM 0 HD13 LEU A 71 -10.908 2.739 -3.362 1.00 0.91 H new ATOM 0 HD21 LEU A 71 -12.298 3.758 -0.853 1.00 0.86 H new ATOM 0 HD22 LEU A 71 -13.144 3.125 -2.286 1.00 0.86 H new ATOM 0 HD23 LEU A 71 -13.468 2.428 -0.680 1.00 0.86 H new