USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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 -20:sc= 1.43 USER MOD Set 1.2: A 57 SER OG : rot -12:sc= 0.113 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.0284 X(o=0.058,f=-0.34) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -113:sc= 0.0291 (180deg=0) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -175:sc= 1.28 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 136:sc= 1 USER MOD Single : A 1 MET CE :methyl -154:sc=-0.000692 (180deg=-0.911) USER MOD Single : A 1 MET N :NH3+ -160:sc= 2.44 (180deg=2.28) USER MOD Single : A 2 GLN : amide:sc= 0.0936 X(o=0.094,f=0) USER MOD Single : A 7 THR OG1 : rot -78:sc= 1.12 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.12) USER MOD Single : A 14 THR OG1 : rot -92:sc= 0.326 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0785 USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.71 (180deg=1.59) USER MOD Single : A 31 GLN : amide:sc=-0.00626 K(o=-0.0063,f=-2.5!) USER MOD Single : A 33 LYS NZ :NH3+ -112:sc= 0.581 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.932 K(o=0.93,f=-2.9) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00759) USER MOD Single : A 49 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.299 USER MOD Single : A 60 ASN : amide:sc= -0.0038 X(o=-0.0038,f=-0.015) USER MOD Single : A 62 GLN : amide:sc= 0.321 X(o=0.32,f=-0.0071) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.0791 (180deg=-0.8) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0184 X(o=-0.018,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.323 -7.787 -5.294 1.00 9.67 N ATOM 2 CA MET A 1 11.241 -8.045 -3.791 1.00 10.38 C ATOM 3 C MET A 1 9.834 -8.139 -3.253 1.00 9.62 C ATOM 4 O MET A 1 8.939 -7.434 -3.719 1.00 9.62 O ATOM 5 CB MET A 1 12.010 -6.905 -2.997 1.00 13.77 C ATOM 6 CG MET A 1 11.327 -5.568 -2.726 1.00 16.29 C ATOM 7 SD MET A 1 12.499 -4.320 -2.109 1.00 17.17 S ATOM 8 CE MET A 1 11.117 -3.332 -1.505 1.00 16.11 C ATOM 0 H1 MET A 1 12.262 -8.066 -5.643 1.00 9.67 H new ATOM 0 H2 MET A 1 10.592 -8.343 -5.782 1.00 9.67 H new ATOM 0 H3 MET A 1 11.171 -6.775 -5.481 1.00 9.67 H new ATOM 0 HA MET A 1 11.707 -9.019 -3.640 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.300 -7.322 -2.033 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.930 -6.694 -3.543 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.861 -5.206 -3.642 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.529 -5.709 -1.997 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.410 -2.283 -1.464 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.267 -3.446 -2.178 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.837 -3.669 -0.507 1.00 16.11 H new ATOM 20 N GLN A 2 9.563 -9.000 -2.314 1.00 9.27 N ATOM 21 CA GLN A 2 8.305 -9.174 -1.611 1.00 9.07 C ATOM 22 C GLN A 2 8.061 -8.144 -0.560 1.00 8.72 C ATOM 23 O GLN A 2 8.891 -7.988 0.328 1.00 8.22 O ATOM 24 CB GLN A 2 8.301 -10.496 -0.847 1.00 14.46 C ATOM 25 CG GLN A 2 8.630 -11.733 -1.760 1.00 17.01 C ATOM 26 CD GLN A 2 7.487 -12.164 -2.640 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.720 -13.049 -2.230 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.167 -11.561 -3.827 1.00 19.49 N ATOM 0 H GLN A 2 10.270 -9.658 -1.986 1.00 9.27 H new ATOM 0 HA GLN A 2 7.546 -9.114 -2.391 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.030 -10.444 -0.038 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.324 -10.641 -0.387 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.487 -11.491 -2.388 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.924 -12.571 -1.128 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.767 -10.828 -4.205 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.328 -11.845 -4.334 1.00 19.49 H new ATOM 37 N ILE A 3 6.818 -7.551 -0.526 1.00 5.87 N ATOM 38 CA ILE A 3 6.341 -6.788 0.651 1.00 5.07 C ATOM 39 C ILE A 3 5.038 -7.342 1.178 1.00 4.01 C ATOM 40 O ILE A 3 4.433 -8.125 0.379 1.00 4.61 O ATOM 41 CB ILE A 3 6.090 -5.270 0.409 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.188 -4.956 -0.830 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.434 -4.547 0.363 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.994 -3.504 -1.146 1.00 10.83 C ATOM 0 H ILE A 3 6.149 -7.594 -1.295 1.00 5.87 H new ATOM 0 HA ILE A 3 7.165 -6.897 1.356 1.00 5.07 H new ATOM 0 HB ILE A 3 5.505 -4.892 1.248 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.621 -5.444 -1.703 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.209 -5.406 -0.666 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.269 -3.483 0.194 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.955 -4.687 1.310 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.038 -4.954 -0.448 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.353 -3.405 -2.022 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.527 -3.006 -0.296 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.961 -3.044 -1.350 1.00 10.83 H new ATOM 56 N PHE A 4 4.598 -7.043 2.433 1.00 4.55 N ATOM 57 CA PHE A 4 3.346 -7.588 3.038 1.00 4.68 C ATOM 58 C PHE A 4 2.333 -6.534 3.382 1.00 5.30 C ATOM 59 O PHE A 4 2.569 -5.395 3.743 1.00 5.58 O ATOM 60 CB PHE A 4 3.624 -8.370 4.279 1.00 4.83 C ATOM 61 CG PHE A 4 4.544 -9.473 4.049 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.106 -10.696 3.432 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.744 -9.543 4.650 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.981 -11.798 3.295 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.623 -10.559 4.497 1.00 10.61 C ATOM 66 CZ PHE A 4 6.270 -11.679 3.792 1.00 8.90 C ATOM 0 H PHE A 4 5.104 -6.414 3.057 1.00 4.55 H new ATOM 0 HA PHE A 4 2.931 -8.231 2.262 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.040 -7.706 5.037 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.687 -8.760 4.676 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.092 -10.774 3.067 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.026 -8.730 5.302 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.654 -12.709 2.816 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.608 -10.487 4.933 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.991 -12.465 3.624 1.00 8.90 H new ATOM 76 N VAL A 5 1.030 -6.830 3.236 1.00 4.44 N ATOM 77 CA VAL A 5 -0.073 -5.904 3.339 1.00 3.87 C ATOM 78 C VAL A 5 -1.036 -6.452 4.386 1.00 4.93 C ATOM 79 O VAL A 5 -1.666 -7.485 4.107 1.00 6.84 O ATOM 80 CB VAL A 5 -0.854 -5.617 2.048 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.887 -4.436 2.248 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.109 -5.118 1.034 1.00 9.13 C ATOM 0 H VAL A 5 0.718 -7.779 3.032 1.00 4.44 H new ATOM 0 HA VAL A 5 0.371 -4.944 3.604 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.369 -6.533 1.758 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.423 -4.259 1.315 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.598 -4.703 3.030 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.353 -3.531 2.537 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.419 -4.905 0.104 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.582 -4.207 1.399 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.872 -5.875 0.853 1.00 9.13 H new ATOM 92 N LYS A 6 -1.329 -5.758 5.517 1.00 6.04 N ATOM 93 CA LYS A 6 -2.340 -6.311 6.460 1.00 6.12 C ATOM 94 C LYS A 6 -3.703 -5.696 6.224 1.00 6.57 C ATOM 95 O LYS A 6 -3.856 -4.493 6.291 1.00 5.76 O ATOM 96 CB LYS A 6 -1.896 -6.146 7.945 1.00 7.45 C ATOM 97 CG LYS A 6 -0.454 -6.502 8.222 1.00 11.12 C ATOM 98 CD LYS A 6 -0.206 -7.989 8.074 1.00 14.54 C ATOM 99 CE LYS A 6 -0.411 -8.657 9.393 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.119 -10.067 9.152 1.00 20.55 N ATOM 0 H LYS A 6 -0.910 -4.869 5.789 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.417 -7.380 6.262 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.064 -5.112 8.246 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.535 -6.768 8.571 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.194 -5.955 7.537 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.189 -6.187 9.231 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.883 -8.410 7.331 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.809 -8.166 7.717 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.251 -8.241 10.153 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.432 -8.521 9.750 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.323 -10.616 10.012 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.710 -10.415 8.371 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.885 -10.176 8.902 1.00 20.55 H new ATOM 114 N THR A 7 -4.776 -6.469 5.926 1.00 7.41 N ATOM 115 CA THR A 7 -6.094 -5.909 5.513 1.00 7.48 C ATOM 116 C THR A 7 -7.049 -5.977 6.693 1.00 8.75 C ATOM 117 O THR A 7 -6.799 -6.705 7.672 1.00 8.58 O ATOM 118 CB THR A 7 -6.698 -6.667 4.313 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.919 -8.051 4.618 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.766 -6.485 3.106 1.00 9.17 C ATOM 0 H THR A 7 -4.757 -7.488 5.963 1.00 7.41 H new ATOM 0 HA THR A 7 -5.940 -4.876 5.201 1.00 7.48 H new ATOM 0 HB THR A 7 -7.679 -6.255 4.075 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.068 -8.535 4.577 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.177 -7.014 2.246 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.678 -5.424 2.871 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.781 -6.887 3.343 1.00 9.17 H new ATOM 128 N LEU A 8 -8.188 -5.221 6.594 1.00 9.84 N ATOM 129 CA LEU A 8 -9.193 -5.163 7.608 1.00 14.15 C ATOM 130 C LEU A 8 -9.888 -6.402 8.101 1.00 17.37 C ATOM 131 O LEU A 8 -10.062 -6.552 9.290 1.00 17.01 O ATOM 132 CB LEU A 8 -10.275 -4.146 7.267 1.00 16.63 C ATOM 133 CG LEU A 8 -9.814 -2.714 7.054 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.008 -1.942 6.500 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.340 -2.027 8.313 1.00 18.59 C ATOM 0 H LEU A 8 -8.399 -4.642 5.781 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.547 -4.891 8.443 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.784 -4.479 6.362 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.014 -4.151 8.069 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.959 -2.734 6.378 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.723 -0.904 6.331 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.325 -2.390 5.558 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.830 -1.981 7.215 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.028 -1.010 8.077 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.152 -1.998 9.040 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.497 -2.577 8.732 1.00 18.59 H new ATOM 147 N THR A 9 -10.171 -7.367 7.167 1.00 18.33 N ATOM 148 CA THR A 9 -10.710 -8.636 7.607 1.00 19.24 C ATOM 149 C THR A 9 -9.602 -9.654 7.890 1.00 19.48 C ATOM 150 O THR A 9 -9.801 -10.823 8.096 1.00 23.14 O ATOM 151 CB THR A 9 -11.762 -9.204 6.620 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.215 -9.487 5.331 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.769 -8.120 6.401 1.00 19.70 C ATOM 0 H THR A 9 -10.033 -7.271 6.161 1.00 18.33 H new ATOM 0 HA THR A 9 -11.229 -8.444 8.546 1.00 19.24 H new ATOM 0 HB THR A 9 -12.162 -10.125 7.045 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.918 -9.844 4.749 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.536 -8.470 5.710 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.231 -7.855 7.352 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.275 -7.244 5.981 1.00 19.70 H new ATOM 161 N GLY A 10 -8.358 -9.129 8.060 1.00 19.43 N ATOM 162 CA GLY A 10 -7.255 -9.890 8.678 1.00 18.74 C ATOM 163 C GLY A 10 -6.432 -10.765 7.781 1.00 17.62 C ATOM 164 O GLY A 10 -5.418 -11.316 8.242 1.00 19.74 O ATOM 0 H GLY A 10 -8.102 -8.183 7.776 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.585 -9.179 9.162 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.677 -10.516 9.464 1.00 18.74 H new ATOM 168 N LYS A 11 -6.783 -10.810 6.489 1.00 13.56 N ATOM 169 CA LYS A 11 -6.045 -11.403 5.416 1.00 11.91 C ATOM 170 C LYS A 11 -4.736 -10.608 5.158 1.00 10.18 C ATOM 171 O LYS A 11 -4.710 -9.369 5.213 1.00 9.10 O ATOM 172 CB LYS A 11 -6.949 -11.398 4.158 1.00 13.43 C ATOM 173 CG LYS A 11 -6.332 -12.283 2.974 1.00 16.69 C ATOM 174 CD LYS A 11 -7.308 -12.352 1.798 1.00 17.92 C ATOM 175 CE LYS A 11 -6.715 -13.192 0.656 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.527 -13.161 -0.574 1.00 21.93 N ATOM 0 H LYS A 11 -7.657 -10.397 6.165 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.763 -12.425 5.667 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.936 -11.779 4.419 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.084 -10.373 3.812 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.386 -11.854 2.645 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.117 -13.288 3.336 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.252 -12.788 2.126 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.528 -11.346 1.441 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.712 -12.829 0.430 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.613 -14.225 0.989 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.160 -13.861 -1.250 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.515 -13.387 -0.343 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.479 -12.212 -0.998 1.00 21.93 H new ATOM 190 N THR A 12 -3.594 -11.334 4.943 1.00 9.63 N ATOM 191 CA THR A 12 -2.296 -10.760 4.660 1.00 9.85 C ATOM 192 C THR A 12 -1.979 -11.011 3.215 1.00 11.66 C ATOM 193 O THR A 12 -1.990 -12.164 2.729 1.00 12.33 O ATOM 194 CB THR A 12 -1.190 -11.316 5.506 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.475 -11.098 6.930 1.00 10.91 O ATOM 196 CG2 THR A 12 0.136 -10.597 5.127 1.00 9.63 C ATOM 0 H THR A 12 -3.582 -12.354 4.969 1.00 9.63 H new ATOM 0 HA THR A 12 -2.355 -9.696 4.891 1.00 9.85 H new ATOM 0 HB THR A 12 -1.104 -12.388 5.329 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.273 -11.914 7.433 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.950 -10.991 5.735 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.354 -10.768 4.073 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.034 -9.527 5.307 1.00 9.63 H new ATOM 204 N ILE A 13 -1.788 -9.958 2.408 1.00 10.42 N ATOM 205 CA ILE A 13 -1.494 -10.086 1.000 1.00 11.84 C ATOM 206 C ILE A 13 0.024 -9.955 0.912 1.00 10.55 C ATOM 207 O ILE A 13 0.597 -9.163 1.650 1.00 11.92 O ATOM 208 CB ILE A 13 -2.070 -9.057 0.040 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.606 -8.684 0.343 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.085 -9.683 -1.390 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.185 -7.425 -0.392 1.00 16.46 C ATOM 0 H ILE A 13 -1.837 -8.992 2.730 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.949 -11.025 0.684 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.453 -8.164 0.142 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.223 -9.544 0.081 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.713 -8.530 1.417 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.495 -8.963 -2.098 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.068 -9.943 -1.684 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.703 -10.581 -1.388 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.226 -7.282 -0.103 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.607 -6.544 -0.114 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.125 -7.573 -1.470 1.00 16.46 H new ATOM 223 N THR A 14 0.598 -10.689 -0.022 1.00 9.39 N ATOM 224 CA THR A 14 1.989 -10.413 -0.410 1.00 9.63 C ATOM 225 C THR A 14 2.104 -9.932 -1.799 1.00 11.20 C ATOM 226 O THR A 14 1.363 -10.446 -2.613 1.00 11.63 O ATOM 227 CB THR A 14 2.824 -11.654 -0.296 1.00 10.38 C ATOM 228 OG1 THR A 14 2.509 -12.371 0.877 1.00 16.30 O ATOM 229 CG2 THR A 14 4.314 -11.352 -0.331 1.00 11.66 C ATOM 0 H THR A 14 0.150 -11.459 -0.519 1.00 9.39 H new ATOM 0 HA THR A 14 2.340 -9.636 0.269 1.00 9.63 H new ATOM 0 HB THR A 14 2.587 -12.268 -1.165 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.106 -12.091 1.602 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.876 -12.282 -0.245 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.564 -10.862 -1.272 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.572 -10.695 0.499 1.00 11.66 H new ATOM 237 N LEU A 15 3.069 -9.017 -2.130 1.00 8.29 N ATOM 238 CA LEU A 15 3.128 -8.322 -3.366 1.00 9.03 C ATOM 239 C LEU A 15 4.570 -8.280 -3.790 1.00 8.59 C ATOM 240 O LEU A 15 5.450 -8.150 -2.949 1.00 7.79 O ATOM 241 CB LEU A 15 2.769 -6.819 -3.241 1.00 11.08 C ATOM 242 CG LEU A 15 1.423 -6.467 -2.497 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.400 -4.901 -2.611 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.215 -7.072 -3.222 1.00 15.27 C ATOM 0 H LEU A 15 3.828 -8.768 -1.495 1.00 8.29 H new ATOM 0 HA LEU A 15 2.439 -8.832 -4.039 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.585 -6.317 -2.721 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.723 -6.397 -4.245 1.00 11.08 H new ATOM 0 HG LEU A 15 1.372 -6.848 -1.477 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.503 -4.514 -2.128 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.282 -4.488 -2.123 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.399 -4.613 -3.662 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.698 -6.813 -2.686 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.165 -6.678 -4.237 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.318 -8.156 -3.259 1.00 15.27 H new ATOM 256 N GLU A 16 4.795 -8.386 -5.135 1.00 11.04 N ATOM 257 CA GLU A 16 6.141 -8.408 -5.706 1.00 11.50 C ATOM 258 C GLU A 16 6.441 -7.003 -6.204 1.00 10.13 C ATOM 259 O GLU A 16 5.707 -6.605 -7.160 1.00 9.83 O ATOM 260 CB GLU A 16 6.212 -9.425 -6.904 1.00 17.22 C ATOM 261 CG GLU A 16 7.564 -9.440 -7.759 1.00 23.33 C ATOM 262 CD GLU A 16 8.813 -9.624 -6.940 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.008 -10.497 -6.026 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.768 -8.847 -7.214 1.00 28.86 O ATOM 0 H GLU A 16 4.049 -8.456 -5.827 1.00 11.04 H new ATOM 0 HA GLU A 16 6.868 -8.722 -4.957 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.049 -10.428 -6.508 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.385 -9.211 -7.581 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.505 -10.241 -8.496 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.641 -8.504 -8.312 1.00 23.33 H new ATOM 271 N VAL A 17 7.477 -6.267 -5.790 1.00 8.99 N ATOM 272 CA VAL A 17 7.758 -4.879 -6.155 1.00 8.85 C ATOM 273 C VAL A 17 9.211 -4.683 -6.320 1.00 8.04 C ATOM 274 O VAL A 17 10.027 -5.454 -5.753 1.00 8.99 O ATOM 275 CB VAL A 17 7.245 -3.960 -5.093 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.767 -3.609 -5.328 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.511 -4.529 -3.675 1.00 10.54 C ATOM 0 H VAL A 17 8.180 -6.647 -5.156 1.00 8.99 H new ATOM 0 HA VAL A 17 7.258 -4.655 -7.097 1.00 8.85 H new ATOM 0 HB VAL A 17 7.800 -3.024 -5.157 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.422 -2.940 -4.540 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.659 -3.117 -6.295 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.170 -4.521 -5.316 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.126 -3.836 -2.927 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.011 -5.492 -3.570 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.583 -4.659 -3.531 1.00 10.54 H new ATOM 287 N GLU A 18 9.653 -3.659 -7.025 1.00 7.29 N ATOM 288 CA GLU A 18 11.046 -3.207 -7.107 1.00 7.08 C ATOM 289 C GLU A 18 11.081 -1.997 -6.174 1.00 6.45 C ATOM 290 O GLU A 18 10.016 -1.355 -6.039 1.00 5.28 O ATOM 291 CB GLU A 18 11.681 -2.750 -8.466 1.00 10.28 C ATOM 292 CG GLU A 18 11.555 -3.772 -9.657 1.00 12.65 C ATOM 293 CD GLU A 18 12.534 -4.865 -9.651 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.718 -4.701 -9.933 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.095 -5.999 -9.245 1.00 18.17 O ATOM 0 H GLU A 18 9.025 -3.085 -7.588 1.00 7.29 H new ATOM 0 HA GLU A 18 11.641 -4.091 -6.879 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.215 -1.811 -8.766 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.738 -2.542 -8.300 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.554 -4.203 -9.640 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.651 -3.225 -10.595 1.00 12.65 H new ATOM 302 N PRO A 19 12.110 -1.526 -5.456 1.00 7.24 N ATOM 303 CA PRO A 19 11.992 -0.352 -4.503 1.00 7.07 C ATOM 304 C PRO A 19 11.747 0.926 -5.240 1.00 6.65 C ATOM 305 O PRO A 19 11.505 1.967 -4.605 1.00 6.37 O ATOM 306 CB PRO A 19 13.289 -0.486 -3.680 1.00 7.61 C ATOM 307 CG PRO A 19 14.300 -1.144 -4.620 1.00 8.16 C ATOM 308 CD PRO A 19 13.496 -2.130 -5.470 1.00 7.49 C ATOM 0 HA PRO A 19 11.132 -0.345 -3.834 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.643 0.488 -3.342 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.128 -1.093 -2.789 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.794 -0.401 -5.245 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.080 -1.657 -4.058 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.893 -2.210 -6.482 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.505 -3.133 -5.044 1.00 7.49 H new ATOM 316 N SER A 20 11.871 0.957 -6.592 1.00 6.80 N ATOM 317 CA SER A 20 11.564 2.174 -7.366 1.00 6.28 C ATOM 318 C SER A 20 10.089 2.244 -7.846 1.00 8.45 C ATOM 319 O SER A 20 9.735 3.313 -8.405 1.00 7.26 O ATOM 320 CB SER A 20 12.423 2.212 -8.655 1.00 8.57 C ATOM 321 OG SER A 20 13.759 2.197 -8.252 1.00 11.13 O ATOM 0 H SER A 20 12.177 0.164 -7.155 1.00 6.80 H new ATOM 0 HA SER A 20 11.770 3.004 -6.690 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.202 1.355 -9.292 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.205 3.107 -9.238 1.00 8.57 H new ATOM 0 HG SER A 20 14.339 2.218 -9.042 1.00 11.13 H new ATOM 327 N ASP A 21 9.255 1.239 -7.604 1.00 7.50 N ATOM 328 CA ASP A 21 7.779 1.281 -7.845 1.00 7.70 C ATOM 329 C ASP A 21 7.088 2.323 -6.924 1.00 7.08 C ATOM 330 O ASP A 21 7.556 2.585 -5.833 1.00 8.11 O ATOM 331 CB ASP A 21 7.212 -0.120 -7.642 1.00 11.00 C ATOM 332 CG ASP A 21 7.617 -1.034 -8.783 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.846 -0.587 -9.937 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.726 -2.251 -8.502 1.00 14.36 O ATOM 0 H ASP A 21 9.571 0.345 -7.227 1.00 7.50 H new ATOM 0 HA ASP A 21 7.583 1.599 -8.869 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.570 -0.529 -6.697 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.125 -0.072 -7.577 1.00 11.00 H new ATOM 339 N THR A 22 5.994 3.009 -7.382 1.00 5.37 N ATOM 340 CA THR A 22 5.391 4.186 -6.690 1.00 6.01 C ATOM 341 C THR A 22 4.427 3.663 -5.658 1.00 8.01 C ATOM 342 O THR A 22 3.977 2.581 -5.724 1.00 8.11 O ATOM 343 CB THR A 22 4.790 5.244 -7.518 1.00 8.92 C ATOM 344 OG1 THR A 22 3.770 4.748 -8.413 1.00 10.22 O ATOM 345 CG2 THR A 22 5.897 5.887 -8.251 1.00 9.65 C ATOM 0 H THR A 22 5.508 2.757 -8.243 1.00 5.37 H new ATOM 0 HA THR A 22 6.227 4.727 -6.248 1.00 6.01 H new ATOM 0 HB THR A 22 4.271 5.962 -6.883 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.404 5.491 -8.936 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.502 6.683 -8.882 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.608 6.308 -7.540 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.400 5.147 -8.873 1.00 9.65 H new ATOM 353 N ILE A 23 3.977 4.575 -4.762 1.00 8.32 N ATOM 354 CA ILE A 23 2.957 4.176 -3.854 1.00 9.92 C ATOM 355 C ILE A 23 1.623 3.968 -4.564 1.00 10.01 C ATOM 356 O ILE A 23 0.855 3.096 -4.220 1.00 8.71 O ATOM 357 CB ILE A 23 2.881 5.230 -2.714 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.254 5.423 -1.957 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.644 4.925 -1.811 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.740 4.182 -1.190 1.00 12.30 C ATOM 0 H ILE A 23 4.305 5.537 -4.674 1.00 8.32 H new ATOM 0 HA ILE A 23 3.200 3.207 -3.418 1.00 9.92 H new ATOM 0 HB ILE A 23 2.715 6.219 -3.141 1.00 10.78 H new ATOM 0 HG12 ILE A 23 5.017 5.708 -2.682 1.00 11.38 H new ATOM 0 HG13 ILE A 23 4.154 6.252 -1.256 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.587 5.662 -1.010 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.735 4.971 -2.411 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.745 3.929 -1.380 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.688 4.405 -0.701 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.000 3.906 -0.438 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.876 3.354 -1.886 1.00 12.30 H new ATOM 372 N GLU A 24 1.360 4.771 -5.682 1.00 9.54 N ATOM 373 CA GLU A 24 0.249 4.550 -6.610 1.00 11.81 C ATOM 374 C GLU A 24 0.350 3.176 -7.230 1.00 11.14 C ATOM 375 O GLU A 24 -0.627 2.471 -7.330 1.00 10.62 O ATOM 376 CB GLU A 24 0.121 5.689 -7.610 1.00 19.24 C ATOM 377 CG GLU A 24 -0.944 5.490 -8.674 1.00 27.76 C ATOM 378 CD GLU A 24 -1.546 6.768 -9.206 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.760 7.564 -9.697 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.761 6.940 -9.099 1.00 34.80 O ATOM 0 H GLU A 24 1.935 5.577 -5.928 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.692 4.562 -6.059 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.097 6.608 -7.066 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.083 5.831 -8.102 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.509 4.935 -9.505 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.741 4.873 -8.260 1.00 27.76 H new ATOM 387 N ASN A 25 1.611 2.758 -7.655 1.00 9.43 N ATOM 388 CA ASN A 25 1.773 1.536 -8.375 1.00 10.96 C ATOM 389 C ASN A 25 1.441 0.352 -7.499 1.00 9.68 C ATOM 390 O ASN A 25 0.750 -0.558 -7.932 1.00 9.33 O ATOM 391 CB ASN A 25 3.257 1.399 -8.843 1.00 16.78 C ATOM 392 CG ASN A 25 3.337 0.469 -10.057 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.842 -0.627 -9.803 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.910 0.841 -11.324 1.00 24.70 N ATOM 0 H ASN A 25 2.475 3.274 -7.489 1.00 9.43 H new ATOM 0 HA ASN A 25 1.100 1.553 -9.232 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.659 2.380 -9.098 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.869 1.005 -8.031 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.007 0.193 -12.106 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.499 1.763 -11.474 1.00 24.70 H new ATOM 401 N VAL A 26 1.890 0.459 -6.200 1.00 6.52 N ATOM 402 CA VAL A 26 1.691 -0.539 -5.202 1.00 5.53 C ATOM 403 C VAL A 26 0.226 -0.878 -5.010 1.00 4.42 C ATOM 404 O VAL A 26 -0.142 -2.061 -4.995 1.00 3.40 O ATOM 405 CB VAL A 26 2.404 -0.107 -3.880 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.067 -1.060 -2.726 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.929 -0.262 -4.130 1.00 8.12 C ATOM 0 H VAL A 26 2.403 1.272 -5.860 1.00 6.52 H new ATOM 0 HA VAL A 26 2.149 -1.469 -5.538 1.00 5.53 H new ATOM 0 HB VAL A 26 2.093 0.905 -3.622 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.579 -0.731 -1.821 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.990 -1.058 -2.555 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.392 -2.069 -2.981 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.476 0.028 -3.233 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.154 -1.301 -4.372 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.228 0.377 -4.960 1.00 8.12 H new ATOM 417 N LYS A 27 -0.603 0.185 -4.944 1.00 2.64 N ATOM 418 CA LYS A 27 -2.043 0.155 -4.748 1.00 4.14 C ATOM 419 C LYS A 27 -2.805 -0.475 -5.856 1.00 5.58 C ATOM 420 O LYS A 27 -3.768 -1.199 -5.651 1.00 4.11 O ATOM 421 CB LYS A 27 -2.679 1.522 -4.429 1.00 3.97 C ATOM 422 CG LYS A 27 -2.287 2.111 -3.059 1.00 7.45 C ATOM 423 CD LYS A 27 -3.046 3.412 -2.679 1.00 9.02 C ATOM 424 CE LYS A 27 -2.667 4.567 -3.663 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.498 5.730 -3.454 1.00 15.47 N ATOM 0 H LYS A 27 -0.250 1.138 -5.033 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.128 -0.478 -3.865 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.396 2.230 -5.208 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.764 1.421 -4.469 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.469 1.361 -2.289 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.216 2.316 -3.058 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.121 3.236 -2.710 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.800 3.700 -1.657 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.620 4.836 -3.525 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.774 4.221 -4.691 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.127 6.526 -4.011 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.471 5.520 -3.756 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.495 5.982 -2.445 1.00 15.47 H new ATOM 439 N ALA A 28 -2.400 -0.290 -7.106 1.00 6.61 N ATOM 440 CA ALA A 28 -2.910 -0.985 -8.257 1.00 7.74 C ATOM 441 C ALA A 28 -2.580 -2.439 -8.191 1.00 9.17 C ATOM 442 O ALA A 28 -3.367 -3.311 -8.607 1.00 11.45 O ATOM 443 CB ALA A 28 -2.409 -0.370 -9.574 1.00 7.68 C ATOM 0 H ALA A 28 -1.672 0.383 -7.345 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.994 -0.876 -8.243 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.820 -0.928 -10.416 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.731 0.670 -9.636 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.320 -0.415 -9.606 1.00 7.68 H new ATOM 449 N LYS A 29 -1.411 -2.888 -7.585 1.00 8.96 N ATOM 450 CA LYS A 29 -1.100 -4.258 -7.332 1.00 7.90 C ATOM 451 C LYS A 29 -2.034 -4.931 -6.359 1.00 6.92 C ATOM 452 O LYS A 29 -2.333 -6.083 -6.527 1.00 6.87 O ATOM 453 CB LYS A 29 0.332 -4.492 -6.860 1.00 10.28 C ATOM 454 CG LYS A 29 1.300 -3.949 -7.866 1.00 14.94 C ATOM 455 CD LYS A 29 2.696 -4.529 -7.760 1.00 19.69 C ATOM 456 CE LYS A 29 3.771 -3.698 -8.467 1.00 22.63 C ATOM 457 NZ LYS A 29 3.573 -3.805 -9.914 1.00 24.98 N ATOM 0 H LYS A 29 -0.679 -2.250 -7.273 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.228 -4.713 -8.314 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.489 -4.009 -5.895 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.506 -5.558 -6.715 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.913 -4.142 -8.867 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.358 -2.867 -7.750 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.960 -4.625 -6.707 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.694 -5.535 -8.181 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.710 -2.656 -8.154 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.764 -4.055 -8.194 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.371 -4.322 -10.336 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.688 -4.317 -10.106 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.519 -2.853 -10.328 1.00 24.98 H new ATOM 471 N ILE A 30 -2.623 -4.159 -5.416 1.00 4.57 N ATOM 472 CA ILE A 30 -3.656 -4.576 -4.441 1.00 5.58 C ATOM 473 C ILE A 30 -5.012 -4.673 -5.165 1.00 7.26 C ATOM 474 O ILE A 30 -5.985 -5.410 -4.789 1.00 9.46 O ATOM 475 CB ILE A 30 -3.639 -3.576 -3.273 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.262 -3.712 -2.526 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.821 -3.818 -2.251 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.007 -2.718 -1.394 1.00 2.00 C ATOM 0 H ILE A 30 -2.376 -3.175 -5.310 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.461 -5.563 -4.022 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.771 -2.574 -3.681 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.192 -4.721 -2.119 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.463 -3.608 -3.260 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.762 -3.085 -1.446 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.775 -3.714 -2.767 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.742 -4.822 -1.834 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.028 -2.910 -0.955 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.035 -1.702 -1.788 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.776 -2.832 -0.630 1.00 2.00 H new ATOM 490 N GLN A 31 -5.204 -3.916 -6.232 1.00 7.06 N ATOM 491 CA GLN A 31 -6.471 -3.974 -6.999 1.00 8.67 C ATOM 492 C GLN A 31 -6.521 -5.283 -7.764 1.00 10.90 C ATOM 493 O GLN A 31 -7.556 -5.939 -7.793 1.00 9.63 O ATOM 494 CB GLN A 31 -6.534 -2.773 -7.997 1.00 9.12 C ATOM 495 CG GLN A 31 -7.869 -2.723 -8.775 1.00 10.76 C ATOM 496 CD GLN A 31 -7.876 -1.667 -9.900 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.112 -0.493 -9.549 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.840 -2.013 -11.176 1.00 14.76 N ATOM 0 H GLN A 31 -4.517 -3.256 -6.597 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.321 -3.914 -6.319 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.401 -1.841 -7.448 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.707 -2.847 -8.704 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.069 -3.704 -9.205 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.680 -2.509 -8.079 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.645 -2.980 -11.437 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.007 -1.313 -11.899 1.00 14.76 H new ATOM 507 N ASP A 32 -5.373 -5.706 -8.344 1.00 10.93 N ATOM 508 CA ASP A 32 -5.113 -6.974 -9.003 1.00 14.01 C ATOM 509 C ASP A 32 -5.330 -8.162 -8.077 1.00 14.04 C ATOM 510 O ASP A 32 -5.979 -9.151 -8.466 1.00 13.39 O ATOM 511 CB ASP A 32 -3.672 -7.030 -9.515 1.00 18.01 C ATOM 512 CG ASP A 32 -3.477 -6.153 -10.762 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.242 -6.370 -11.747 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.529 -5.289 -10.724 1.00 26.29 O ATOM 0 H ASP A 32 -4.547 -5.108 -8.355 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.819 -7.037 -9.831 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.993 -6.700 -8.728 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.409 -8.061 -9.751 1.00 18.01 H new ATOM 519 N LYS A 33 -4.876 -8.021 -6.805 1.00 14.22 N ATOM 520 CA LYS A 33 -5.041 -9.042 -5.840 1.00 14.00 C ATOM 521 C LYS A 33 -6.489 -9.185 -5.176 1.00 12.37 C ATOM 522 O LYS A 33 -6.969 -10.325 -5.158 1.00 12.17 O ATOM 523 CB LYS A 33 -4.041 -8.821 -4.657 1.00 18.62 C ATOM 524 CG LYS A 33 -2.608 -8.927 -5.099 1.00 24.00 C ATOM 525 CD LYS A 33 -2.155 -10.386 -5.181 1.00 27.61 C ATOM 526 CE LYS A 33 -0.627 -10.557 -5.342 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.098 -11.810 -4.789 1.00 30.06 N ATOM 0 H LYS A 33 -4.395 -7.190 -6.461 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.865 -9.951 -6.415 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.212 -7.838 -4.217 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.235 -9.558 -3.877 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.490 -8.453 -6.073 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.970 -8.385 -4.401 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.477 -10.908 -4.280 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.655 -10.865 -6.022 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.377 -10.507 -6.402 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.126 -9.719 -4.857 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.496 -11.601 -3.961 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.887 -12.424 -4.503 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.473 -12.294 -5.511 1.00 30.06 H new ATOM 541 N GLU A 34 -7.171 -8.074 -4.789 1.00 10.11 N ATOM 542 CA GLU A 34 -8.416 -8.087 -4.079 1.00 10.07 C ATOM 543 C GLU A 34 -9.634 -7.329 -4.671 1.00 9.32 C ATOM 544 O GLU A 34 -10.673 -7.495 -4.121 1.00 11.61 O ATOM 545 CB GLU A 34 -8.206 -7.620 -2.580 1.00 14.77 C ATOM 546 CG GLU A 34 -7.338 -8.611 -1.720 1.00 18.75 C ATOM 547 CD GLU A 34 -8.158 -9.846 -1.550 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.227 -9.833 -0.849 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.760 -10.880 -2.080 1.00 25.19 O ATOM 0 H GLU A 34 -6.834 -7.131 -4.983 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.702 -9.135 -4.171 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.729 -6.640 -2.578 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.181 -7.501 -2.107 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.395 -8.836 -2.219 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.090 -8.173 -0.753 1.00 18.75 H new ATOM 556 N GLY A 35 -9.463 -6.583 -5.725 1.00 7.22 N ATOM 557 CA GLY A 35 -10.529 -5.756 -6.352 1.00 6.29 C ATOM 558 C GLY A 35 -10.832 -4.346 -5.806 1.00 6.93 C ATOM 559 O GLY A 35 -11.831 -3.741 -6.219 1.00 7.41 O ATOM 0 H GLY A 35 -8.566 -6.511 -6.206 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.277 -5.648 -7.407 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.455 -6.329 -6.302 1.00 6.29 H new ATOM 563 N ILE A 36 -10.025 -3.803 -4.877 1.00 5.86 N ATOM 564 CA ILE A 36 -10.269 -2.568 -4.184 1.00 6.07 C ATOM 565 C ILE A 36 -9.811 -1.372 -5.037 1.00 6.36 C ATOM 566 O ILE A 36 -8.675 -1.408 -5.558 1.00 6.18 O ATOM 567 CB ILE A 36 -9.544 -2.418 -2.824 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.855 -3.616 -1.886 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.121 -1.171 -2.099 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.899 -3.711 -0.680 1.00 9.49 C ATOM 0 H ILE A 36 -9.153 -4.248 -4.591 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.344 -2.585 -4.002 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.474 -2.350 -3.022 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.879 -3.528 -1.523 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.799 -4.541 -2.459 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.623 -1.047 -1.137 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.954 -0.285 -2.711 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.191 -1.306 -1.939 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.172 -4.569 -0.066 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.876 -3.830 -1.036 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.973 -2.801 -0.085 1.00 9.49 H new ATOM 582 N PRO A 37 -10.471 -0.236 -5.195 1.00 8.65 N ATOM 583 CA PRO A 37 -9.808 0.896 -5.898 1.00 9.18 C ATOM 584 C PRO A 37 -8.637 1.496 -5.203 1.00 9.85 C ATOM 585 O PRO A 37 -8.643 1.720 -3.970 1.00 8.51 O ATOM 586 CB PRO A 37 -10.949 1.917 -6.045 1.00 11.42 C ATOM 587 CG PRO A 37 -12.196 1.035 -6.177 1.00 9.27 C ATOM 588 CD PRO A 37 -11.927 -0.054 -5.109 1.00 8.33 C ATOM 0 HA PRO A 37 -9.364 0.556 -6.834 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.013 2.577 -5.180 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.811 2.552 -6.920 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.112 1.589 -5.974 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.294 0.612 -7.177 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.237 0.268 -4.115 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.464 -0.977 -5.327 1.00 8.33 H new ATOM 596 N PRO A 38 -7.494 1.855 -5.800 1.00 8.71 N ATOM 597 CA PRO A 38 -6.460 2.789 -5.244 1.00 9.08 C ATOM 598 C PRO A 38 -6.939 4.069 -4.647 1.00 9.28 C ATOM 599 O PRO A 38 -6.272 4.600 -3.735 1.00 6.50 O ATOM 600 CB PRO A 38 -5.475 2.969 -6.450 1.00 10.31 C ATOM 601 CG PRO A 38 -5.642 1.632 -7.225 1.00 10.81 C ATOM 602 CD PRO A 38 -7.139 1.367 -7.140 1.00 12.00 C ATOM 0 HA PRO A 38 -5.999 2.366 -4.351 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.739 3.830 -7.064 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.448 3.119 -6.116 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.307 1.721 -8.258 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.064 0.828 -6.770 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.686 1.898 -7.919 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.367 0.307 -7.256 1.00 12.00 H new ATOM 610 N ASP A 39 -8.037 4.648 -5.138 1.00 11.20 N ATOM 611 CA ASP A 39 -8.695 5.788 -4.533 1.00 14.96 C ATOM 612 C ASP A 39 -9.288 5.484 -3.173 1.00 13.99 C ATOM 613 O ASP A 39 -9.181 6.256 -2.254 1.00 13.75 O ATOM 614 CB ASP A 39 -9.807 6.291 -5.432 1.00 24.16 C ATOM 615 CG ASP A 39 -9.169 6.909 -6.628 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.414 7.927 -6.499 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.171 6.365 -7.777 1.00 35.55 O ATOM 0 H ASP A 39 -8.497 4.323 -5.988 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.921 6.544 -4.403 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.462 5.471 -5.727 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.425 7.020 -4.907 1.00 24.16 H new ATOM 622 N GLN A 40 -9.915 4.305 -3.067 1.00 11.60 N ATOM 623 CA GLN A 40 -10.527 3.862 -1.752 1.00 10.76 C ATOM 624 C GLN A 40 -9.433 3.459 -0.761 1.00 8.01 C ATOM 625 O GLN A 40 -9.501 3.638 0.475 1.00 8.96 O ATOM 626 CB GLN A 40 -11.556 2.766 -1.904 1.00 11.14 C ATOM 627 CG GLN A 40 -12.364 2.438 -0.641 1.00 14.85 C ATOM 628 CD GLN A 40 -13.483 1.432 -0.885 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.424 0.328 -0.289 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.511 1.810 -1.685 1.00 18.16 N ATOM 0 H GLN A 40 -10.024 3.641 -3.834 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.067 4.722 -1.357 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.250 3.051 -2.695 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.050 1.860 -2.236 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.691 2.044 0.121 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.792 3.358 -0.243 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.495 2.723 -2.139 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.301 1.181 -1.832 1.00 18.16 H new ATOM 639 N GLN A 41 -8.441 2.716 -1.266 1.00 6.52 N ATOM 640 CA GLN A 41 -7.213 2.343 -0.558 1.00 3.87 C ATOM 641 C GLN A 41 -6.422 3.465 0.092 1.00 4.79 C ATOM 642 O GLN A 41 -5.973 4.445 -0.520 1.00 6.34 O ATOM 643 CB GLN A 41 -6.242 1.622 -1.489 1.00 4.20 C ATOM 644 CG GLN A 41 -6.733 0.191 -1.945 1.00 3.20 C ATOM 645 CD GLN A 41 -5.730 -0.442 -2.994 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.512 -0.372 -2.761 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.265 -1.037 -4.108 1.00 7.13 N ATOM 0 H GLN A 41 -8.474 2.344 -2.215 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.598 1.714 0.245 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.078 2.238 -2.373 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.280 1.522 -0.987 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.818 -0.463 -1.077 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.727 0.266 -2.386 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.276 -1.060 -4.238 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.651 -1.457 -4.806 1.00 7.13 H new ATOM 656 N ARG A 42 -6.049 3.319 1.378 1.00 5.73 N ATOM 657 CA ARG A 42 -5.021 4.110 2.026 1.00 6.97 C ATOM 658 C ARG A 42 -4.009 3.190 2.556 1.00 7.15 C ATOM 659 O ARG A 42 -4.296 2.303 3.344 1.00 7.33 O ATOM 660 CB ARG A 42 -5.531 5.063 3.109 1.00 13.23 C ATOM 661 CG ARG A 42 -6.415 6.200 2.504 1.00 21.27 C ATOM 662 CD ARG A 42 -7.112 6.945 3.661 1.00 26.14 C ATOM 663 NE ARG A 42 -7.281 8.367 3.325 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.217 9.169 3.873 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.946 8.754 4.926 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.341 10.451 3.542 1.00 36.39 N ATOM 0 H ARG A 42 -6.473 2.628 1.997 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.595 4.774 1.274 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.110 4.503 3.844 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.684 5.501 3.637 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.801 6.890 1.925 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.155 5.782 1.822 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.084 6.493 3.860 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.523 6.847 4.573 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.650 8.772 2.634 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.793 7.825 5.318 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.651 9.369 5.332 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.715 10.862 2.850 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.063 11.023 3.980 1.00 36.39 H new ATOM 680 N LEU A 43 -2.729 3.449 2.238 1.00 4.65 N ATOM 681 CA LEU A 43 -1.666 2.598 2.805 1.00 3.51 C ATOM 682 C LEU A 43 -1.019 3.297 4.042 1.00 5.56 C ATOM 683 O LEU A 43 -0.704 4.484 4.067 1.00 4.19 O ATOM 684 CB LEU A 43 -0.570 2.164 1.783 1.00 3.74 C ATOM 685 CG LEU A 43 -1.100 1.136 0.764 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.114 1.022 -0.380 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.376 -0.188 1.352 1.00 6.41 C ATOM 0 H LEU A 43 -2.414 4.200 1.624 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.157 1.674 3.111 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.202 3.042 1.253 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.277 1.737 2.320 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.061 1.500 0.402 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.481 0.296 -1.106 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.002 1.993 -0.862 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.852 0.694 0.004 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.746 -0.860 0.578 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.459 -0.595 1.778 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.127 -0.089 2.135 1.00 6.41 H new ATOM 699 N ILE A 44 -0.805 2.532 5.132 1.00 4.58 N ATOM 700 CA ILE A 44 -0.332 3.067 6.423 1.00 5.55 C ATOM 701 C ILE A 44 0.959 2.359 6.745 1.00 5.46 C ATOM 702 O ILE A 44 0.904 1.129 6.851 1.00 6.04 O ATOM 703 CB ILE A 44 -1.380 2.910 7.533 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.827 3.424 7.240 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.844 3.663 8.758 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.891 4.940 6.825 1.00 13.90 C ATOM 0 H ILE A 44 -0.956 1.523 5.141 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.163 4.141 6.352 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.504 1.835 7.664 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.263 2.820 6.444 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.442 3.274 8.127 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.558 3.580 9.577 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.109 3.231 9.062 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.702 4.714 8.506 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.927 5.223 6.638 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.486 5.555 7.629 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.304 5.095 5.920 1.00 13.90 H new ATOM 718 N PHE A 45 2.102 3.074 6.953 1.00 6.75 N ATOM 719 CA PHE A 45 3.275 2.439 7.437 1.00 4.70 C ATOM 720 C PHE A 45 4.056 3.474 8.282 1.00 6.34 C ATOM 721 O PHE A 45 4.234 4.630 7.865 1.00 5.45 O ATOM 722 CB PHE A 45 4.066 2.017 6.197 1.00 5.51 C ATOM 723 CG PHE A 45 5.532 1.571 6.440 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.820 0.433 7.186 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.578 2.315 5.845 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.159 0.057 7.458 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.914 1.988 6.194 1.00 6.64 C ATOM 728 CZ PHE A 45 8.181 0.861 6.982 1.00 6.84 C ATOM 0 H PHE A 45 2.195 4.076 6.783 1.00 6.75 H new ATOM 0 HA PHE A 45 3.073 1.570 8.063 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.534 1.198 5.714 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.073 2.851 5.495 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.010 -0.174 7.564 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.366 3.109 5.145 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.377 -0.837 8.024 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.728 2.610 5.851 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.204 0.614 7.223 1.00 6.84 H new ATOM 738 N ALA A 46 4.399 3.079 9.496 1.00 6.53 N ATOM 739 CA ALA A 46 5.149 3.818 10.460 1.00 7.15 C ATOM 740 C ALA A 46 4.456 5.083 10.884 1.00 9.00 C ATOM 741 O ALA A 46 5.042 6.164 11.132 1.00 11.15 O ATOM 742 CB ALA A 46 6.653 4.064 10.047 1.00 8.99 C ATOM 0 H ALA A 46 4.132 2.159 9.847 1.00 6.53 H new ATOM 0 HA ALA A 46 5.194 3.175 11.339 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.157 4.632 10.829 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.155 3.106 9.913 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.687 4.625 9.113 1.00 8.99 H new ATOM 748 N GLY A 47 3.144 4.932 11.128 1.00 9.35 N ATOM 749 CA GLY A 47 2.267 5.977 11.670 1.00 11.68 C ATOM 750 C GLY A 47 1.779 6.928 10.616 1.00 11.14 C ATOM 751 O GLY A 47 1.001 7.836 10.865 1.00 13.93 O ATOM 0 H GLY A 47 2.653 4.056 10.948 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.411 5.510 12.157 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.805 6.535 12.436 1.00 11.68 H new ATOM 755 N LYS A 48 2.184 6.662 9.365 1.00 10.47 N ATOM 756 CA LYS A 48 2.021 7.605 8.264 1.00 8.82 C ATOM 757 C LYS A 48 1.194 7.077 7.159 1.00 7.68 C ATOM 758 O LYS A 48 1.358 5.931 6.773 1.00 6.47 O ATOM 759 CB LYS A 48 3.421 8.041 7.716 1.00 9.74 C ATOM 760 CG LYS A 48 4.142 8.820 8.781 1.00 14.14 C ATOM 761 CD LYS A 48 5.560 9.192 8.252 1.00 16.32 C ATOM 762 CE LYS A 48 6.405 10.062 9.236 1.00 20.04 C ATOM 763 NZ LYS A 48 5.743 11.309 9.620 1.00 23.92 N ATOM 0 H LYS A 48 2.632 5.786 9.095 1.00 10.47 H new ATOM 0 HA LYS A 48 1.491 8.466 8.671 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.003 7.165 7.431 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.302 8.650 6.820 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.584 9.722 9.033 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.222 8.229 9.693 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.107 8.274 8.036 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.454 9.729 7.310 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.618 9.481 10.133 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.364 10.295 8.772 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.375 11.863 10.232 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.517 11.859 8.767 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.866 11.092 10.134 1.00 23.92 H new ATOM 777 N GLN A 49 0.347 7.982 6.627 1.00 8.89 N ATOM 778 CA GLN A 49 -0.380 7.651 5.403 1.00 7.18 C ATOM 779 C GLN A 49 0.453 7.780 4.087 1.00 8.23 C ATOM 780 O GLN A 49 0.932 8.883 3.814 1.00 9.70 O ATOM 781 CB GLN A 49 -1.718 8.444 5.380 1.00 11.67 C ATOM 782 CG GLN A 49 -2.788 7.824 4.376 1.00 15.82 C ATOM 783 CD GLN A 49 -3.968 8.787 4.290 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.711 8.968 5.249 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.293 9.343 3.083 1.00 20.67 N ATOM 0 H GLN A 49 0.160 8.908 7.012 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.602 6.584 5.428 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.140 8.465 6.385 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.517 9.477 5.097 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.345 7.675 3.391 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.119 6.847 4.728 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.685 9.202 2.276 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.143 9.899 2.990 1.00 20.67 H new ATOM 794 N LEU A 50 0.740 6.668 3.305 1.00 6.51 N ATOM 795 CA LEU A 50 1.663 6.770 2.171 1.00 7.41 C ATOM 796 C LEU A 50 1.195 7.564 0.971 1.00 8.27 C ATOM 797 O LEU A 50 0.073 7.427 0.472 1.00 8.34 O ATOM 798 CB LEU A 50 2.224 5.395 1.765 1.00 7.13 C ATOM 799 CG LEU A 50 2.728 4.593 2.975 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.491 3.300 2.575 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.651 5.475 3.801 1.00 9.11 C ATOM 0 H LEU A 50 0.347 5.739 3.456 1.00 6.51 H new ATOM 0 HA LEU A 50 2.470 7.385 2.569 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.449 4.826 1.251 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.041 5.533 1.057 1.00 7.13 H new ATOM 0 HG LEU A 50 1.852 4.286 3.546 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.821 2.779 3.474 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.830 2.650 2.001 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.358 3.562 1.969 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.014 4.915 4.663 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.497 5.790 3.190 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.104 6.354 4.144 1.00 9.11 H new ATOM 813 N GLU A 51 2.059 8.476 0.503 1.00 9.43 N ATOM 814 CA GLU A 51 1.738 9.470 -0.512 1.00 11.90 C ATOM 815 C GLU A 51 1.984 8.959 -1.982 1.00 11.49 C ATOM 816 O GLU A 51 3.106 8.690 -2.391 1.00 9.88 O ATOM 817 CB GLU A 51 2.523 10.778 -0.283 1.00 16.56 C ATOM 818 CG GLU A 51 2.144 11.912 -1.239 1.00 26.06 C ATOM 819 CD GLU A 51 3.161 13.086 -1.027 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.068 13.750 0.042 1.00 33.44 O ATOM 821 OE2 GLU A 51 4.065 13.303 -1.889 1.00 32.13 O ATOM 0 H GLU A 51 3.022 8.538 0.833 1.00 9.43 H new ATOM 0 HA GLU A 51 0.670 9.662 -0.406 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.360 11.112 0.742 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.588 10.572 -0.386 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.173 11.565 -2.272 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.126 12.250 -1.045 1.00 26.06 H new ATOM 828 N ASP A 52 0.890 8.863 -2.755 1.00 12.71 N ATOM 829 CA ASP A 52 0.760 8.254 -4.036 1.00 16.56 C ATOM 830 C ASP A 52 1.882 8.379 -5.068 1.00 15.83 C ATOM 831 O ASP A 52 2.294 7.458 -5.725 1.00 17.21 O ATOM 832 CB ASP A 52 -0.512 8.770 -4.706 1.00 21.05 C ATOM 833 CG ASP A 52 -1.785 8.537 -3.904 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.723 8.739 -2.663 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.814 8.012 -4.412 1.00 28.37 O ATOM 0 H ASP A 52 0.002 9.257 -2.444 1.00 12.71 H new ATOM 0 HA ASP A 52 0.770 7.197 -3.769 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.403 9.839 -4.889 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.617 8.289 -5.678 1.00 21.05 H new ATOM 840 N GLY A 53 2.358 9.610 -5.313 1.00 15.00 N ATOM 841 CA GLY A 53 3.431 9.906 -6.266 1.00 11.77 C ATOM 842 C GLY A 53 4.834 9.409 -5.865 1.00 11.10 C ATOM 843 O GLY A 53 5.659 9.254 -6.788 1.00 11.25 O ATOM 0 H GLY A 53 1.999 10.441 -4.843 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.170 9.465 -7.228 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.475 10.985 -6.412 1.00 11.77 H new ATOM 847 N ARG A 54 5.090 9.213 -4.563 1.00 8.53 N ATOM 848 CA ARG A 54 6.411 8.831 -4.130 1.00 9.05 C ATOM 849 C ARG A 54 6.703 7.369 -4.388 1.00 8.96 C ATOM 850 O ARG A 54 5.928 6.537 -4.835 1.00 11.60 O ATOM 851 CB ARG A 54 6.665 9.086 -2.617 1.00 7.97 C ATOM 852 CG ARG A 54 6.251 10.530 -2.193 1.00 9.62 C ATOM 853 CD ARG A 54 6.577 10.702 -0.754 1.00 12.20 C ATOM 854 NE ARG A 54 5.968 11.998 -0.305 1.00 18.23 N ATOM 855 CZ ARG A 54 6.150 12.389 0.970 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.147 12.111 1.765 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.194 13.190 1.491 1.00 23.38 N ATOM 0 H ARG A 54 4.403 9.314 -3.816 1.00 8.53 H new ATOM 0 HA ARG A 54 7.071 9.465 -4.722 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.105 8.360 -2.027 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.721 8.931 -2.395 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.781 11.269 -2.794 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.186 10.685 -2.363 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.183 9.871 -0.170 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.657 10.714 -0.604 1.00 12.20 H new ATOM 0 HE ARG A 54 5.427 12.571 -0.953 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.916 11.528 1.434 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.158 12.477 2.717 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.393 13.464 0.923 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.274 13.521 2.453 1.00 23.38 H new ATOM 871 N THR A 55 7.939 6.954 -4.191 1.00 9.05 N ATOM 872 CA THR A 55 8.321 5.538 -4.308 1.00 9.03 C ATOM 873 C THR A 55 8.639 4.841 -2.963 1.00 8.15 C ATOM 874 O THR A 55 8.937 5.437 -1.952 1.00 5.91 O ATOM 875 CB THR A 55 9.406 5.261 -5.259 1.00 11.15 C ATOM 876 OG1 THR A 55 10.602 5.785 -4.844 1.00 11.95 O ATOM 877 CG2 THR A 55 9.125 5.821 -6.663 1.00 11.71 C ATOM 0 H THR A 55 8.711 7.575 -3.946 1.00 9.05 H new ATOM 0 HA THR A 55 7.405 5.105 -4.711 1.00 9.03 H new ATOM 0 HB THR A 55 9.462 4.173 -5.302 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.439 6.488 -4.181 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.961 5.586 -7.322 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.214 5.372 -7.058 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.001 6.902 -6.605 1.00 11.71 H new ATOM 885 N LEU A 56 8.537 3.431 -2.958 1.00 6.91 N ATOM 886 CA LEU A 56 8.773 2.612 -1.754 1.00 8.29 C ATOM 887 C LEU A 56 10.141 2.900 -1.067 1.00 8.05 C ATOM 888 O LEU A 56 10.271 2.924 0.131 1.00 10.17 O ATOM 889 CB LEU A 56 8.844 1.077 -2.097 1.00 6.60 C ATOM 890 CG LEU A 56 7.501 0.425 -2.546 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.966 -0.743 -3.374 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.686 -0.055 -1.329 1.00 8.64 C ATOM 0 H LEU A 56 8.294 2.885 -3.785 1.00 6.91 H new ATOM 0 HA LEU A 56 7.937 2.869 -1.104 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.580 0.933 -2.889 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.211 0.544 -1.220 1.00 6.60 H new ATOM 0 HG LEU A 56 6.845 1.109 -3.085 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.101 -1.288 -3.752 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.561 -0.381 -4.212 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.573 -1.407 -2.758 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.754 -0.506 -1.670 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.264 -0.793 -0.772 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.463 0.794 -0.683 1.00 8.64 H new ATOM 904 N SER A 57 11.140 3.145 -1.888 1.00 8.92 N ATOM 905 CA SER A 57 12.458 3.570 -1.501 1.00 9.00 C ATOM 906 C SER A 57 12.551 4.968 -0.836 1.00 9.44 C ATOM 907 O SER A 57 13.459 5.196 -0.044 1.00 10.91 O ATOM 908 CB SER A 57 13.437 3.604 -2.657 1.00 10.32 C ATOM 909 OG SER A 57 12.949 4.477 -3.733 1.00 13.59 O ATOM 0 H SER A 57 11.043 3.046 -2.899 1.00 8.92 H new ATOM 0 HA SER A 57 12.714 2.806 -0.767 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.406 3.959 -2.307 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.587 2.595 -3.042 1.00 10.32 H new ATOM 0 HG SER A 57 12.010 4.706 -3.568 1.00 13.59 H new ATOM 915 N ASP A 58 11.632 5.913 -1.103 1.00 9.11 N ATOM 916 CA ASP A 58 11.484 7.123 -0.305 1.00 7.91 C ATOM 917 C ASP A 58 11.150 6.965 1.184 1.00 9.12 C ATOM 918 O ASP A 58 11.524 7.765 2.015 1.00 8.61 O ATOM 919 CB ASP A 58 10.428 8.133 -0.889 1.00 8.41 C ATOM 920 CG ASP A 58 10.941 8.502 -2.298 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.881 9.361 -2.435 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.459 7.953 -3.326 1.00 11.70 O ATOM 0 H ASP A 58 10.975 5.850 -1.881 1.00 9.11 H new ATOM 0 HA ASP A 58 12.504 7.501 -0.372 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.438 7.680 -0.939 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.342 9.018 -0.259 1.00 8.41 H new ATOM 927 N TYR A 59 10.275 5.983 1.493 1.00 7.97 N ATOM 928 CA TYR A 59 9.706 5.641 2.779 1.00 8.45 C ATOM 929 C TYR A 59 10.633 4.554 3.308 1.00 10.98 C ATOM 930 O TYR A 59 10.493 4.165 4.457 1.00 12.95 O ATOM 931 CB TYR A 59 8.274 5.051 2.670 1.00 7.94 C ATOM 932 CG TYR A 59 7.350 6.247 2.517 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.091 7.113 3.599 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.765 6.448 1.298 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.113 8.118 3.435 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.786 7.408 1.116 1.00 6.52 C ATOM 937 CZ TYR A 59 5.493 8.280 2.205 1.00 6.76 C ATOM 938 OH TYR A 59 4.501 9.271 2.118 1.00 7.63 O ATOM 0 H TYR A 59 9.927 5.360 0.764 1.00 7.97 H new ATOM 0 HA TYR A 59 9.624 6.526 3.410 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.191 4.379 1.815 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.021 4.471 3.557 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.628 7.010 4.531 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.074 5.844 0.458 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.849 8.758 4.264 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.259 7.494 0.177 1.00 6.52 H new ATOM 0 HH TYR A 59 4.827 10.013 1.567 1.00 7.63 H new ATOM 948 N ASN A 60 11.666 4.086 2.571 1.00 12.38 N ATOM 949 CA ASN A 60 12.591 3.047 2.872 1.00 13.94 C ATOM 950 C ASN A 60 11.883 1.730 3.228 1.00 14.16 C ATOM 951 O ASN A 60 12.234 1.060 4.192 1.00 14.26 O ATOM 952 CB ASN A 60 13.612 3.465 3.972 1.00 19.23 C ATOM 953 CG ASN A 60 14.595 4.521 3.523 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.619 5.565 4.155 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.449 4.194 2.517 1.00 24.09 N ATOM 0 H ASN A 60 11.865 4.493 1.657 1.00 12.38 H new ATOM 0 HA ASN A 60 13.162 2.869 1.961 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.066 3.836 4.839 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.164 2.583 4.296 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.182 4.846 2.238 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.357 3.297 2.041 1.00 24.09 H new ATOM 962 N ILE A 61 10.943 1.318 2.404 1.00 11.08 N ATOM 963 CA ILE A 61 10.159 0.110 2.665 1.00 11.78 C ATOM 964 C ILE A 61 10.848 -1.100 2.108 1.00 13.74 C ATOM 965 O ILE A 61 11.091 -1.321 0.896 1.00 14.60 O ATOM 966 CB ILE A 61 8.759 0.211 2.098 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.933 1.246 2.880 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.072 -1.180 2.058 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.742 1.764 2.087 1.00 11.42 C ATOM 0 H ILE A 61 10.695 1.800 1.540 1.00 11.08 H new ATOM 0 HA ILE A 61 10.077 0.010 3.747 1.00 11.78 H new ATOM 0 HB ILE A 61 8.825 0.560 1.067 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.579 0.797 3.808 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.574 2.084 3.155 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.068 -1.078 1.646 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.654 -1.855 1.431 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.011 -1.585 3.068 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.194 2.491 2.686 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.094 2.240 1.171 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.084 0.933 1.834 1.00 11.42 H new ATOM 981 N GLN A 62 11.295 -1.990 3.017 1.00 13.97 N ATOM 982 CA GLN A 62 12.268 -3.015 2.638 1.00 15.52 C ATOM 983 C GLN A 62 11.662 -4.336 2.147 1.00 13.94 C ATOM 984 O GLN A 62 10.458 -4.568 2.295 1.00 12.15 O ATOM 985 CB GLN A 62 13.100 -3.496 3.884 1.00 19.53 C ATOM 986 CG GLN A 62 13.811 -2.331 4.582 1.00 26.38 C ATOM 987 CD GLN A 62 14.871 -1.746 3.598 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.863 -2.337 3.247 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.622 -0.496 3.066 1.00 32.71 N ATOM 0 H GLN A 62 11.002 -2.015 3.994 1.00 13.97 H new ATOM 0 HA GLN A 62 12.838 -2.515 1.855 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.438 -3.994 4.592 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.837 -4.233 3.565 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.092 -1.563 4.867 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.291 -2.673 5.499 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.790 0.022 3.348 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.270 -0.091 2.391 1.00 32.71 H new ATOM 998 N LYS A 63 12.398 -5.333 1.599 1.00 11.73 N ATOM 999 CA LYS A 63 11.938 -6.627 1.440 1.00 11.97 C ATOM 1000 C LYS A 63 11.437 -7.237 2.754 1.00 10.41 C ATOM 1001 O LYS A 63 11.970 -7.057 3.835 1.00 9.59 O ATOM 1002 CB LYS A 63 12.968 -7.592 0.810 1.00 13.73 C ATOM 1003 CG LYS A 63 14.279 -7.897 1.608 1.00 16.98 C ATOM 1004 CD LYS A 63 15.232 -8.779 0.726 1.00 20.19 C ATOM 1005 CE LYS A 63 16.606 -9.111 1.334 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.278 -9.600 2.674 1.00 25.97 N ATOM 0 H LYS A 63 13.351 -5.197 1.263 1.00 11.73 H new ATOM 0 HA LYS A 63 11.107 -6.520 0.742 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.464 -8.540 0.622 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.255 -7.186 -0.160 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.776 -6.966 1.882 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.041 -8.416 2.536 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.722 -9.715 0.501 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.392 -8.267 -0.223 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.132 -9.866 0.749 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.250 -8.233 1.374 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.073 -10.159 3.044 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.100 -8.792 3.304 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.428 -10.197 2.627 1.00 25.97 H new ATOM 1020 N GLU A 64 10.265 -7.966 2.717 1.00 10.04 N ATOM 1021 CA GLU A 64 9.606 -8.616 3.782 1.00 10.94 C ATOM 1022 C GLU A 64 9.106 -7.677 4.892 1.00 9.74 C ATOM 1023 O GLU A 64 9.146 -7.963 6.058 1.00 9.42 O ATOM 1024 CB GLU A 64 10.457 -9.697 4.422 1.00 18.31 C ATOM 1025 CG GLU A 64 10.911 -10.795 3.398 1.00 24.16 C ATOM 1026 CD GLU A 64 11.489 -12.038 4.116 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.596 -11.878 4.703 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.791 -13.043 4.210 1.00 32.61 O ATOM 0 H GLU A 64 9.760 -8.090 1.840 1.00 10.04 H new ATOM 0 HA GLU A 64 8.735 -9.061 3.300 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.338 -9.241 4.874 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.894 -10.168 5.228 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.062 -11.092 2.782 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.663 -10.379 2.727 1.00 24.16 H new ATOM 1035 N SER A 65 8.682 -6.469 4.477 1.00 6.85 N ATOM 1036 CA SER A 65 8.153 -5.392 5.287 1.00 6.90 C ATOM 1037 C SER A 65 6.641 -5.387 5.296 1.00 4.72 C ATOM 1038 O SER A 65 5.991 -5.749 4.295 1.00 3.91 O ATOM 1039 CB SER A 65 8.690 -3.982 4.984 1.00 7.28 C ATOM 1040 OG SER A 65 8.228 -3.019 5.896 1.00 10.56 O ATOM 0 H SER A 65 8.709 -6.216 3.489 1.00 6.85 H new ATOM 0 HA SER A 65 8.532 -5.625 6.282 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.780 -4.001 5.003 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.393 -3.693 3.976 1.00 7.28 H new ATOM 0 HG SER A 65 8.598 -2.142 5.662 1.00 10.56 H new ATOM 1046 N THR A 66 6.009 -4.932 6.416 1.00 4.48 N ATOM 1047 CA THR A 66 4.556 -4.959 6.665 1.00 3.80 C ATOM 1048 C THR A 66 3.965 -3.561 6.755 1.00 4.60 C ATOM 1049 O THR A 66 4.337 -2.709 7.558 1.00 5.33 O ATOM 1050 CB THR A 66 4.285 -5.709 7.998 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.396 -7.133 7.861 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.803 -5.541 8.472 1.00 3.40 C ATOM 0 H THR A 66 6.527 -4.523 7.194 1.00 4.48 H new ATOM 0 HA THR A 66 4.083 -5.469 5.826 1.00 3.80 H new ATOM 0 HB THR A 66 5.018 -5.285 8.684 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.219 -7.560 8.725 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.657 -6.081 9.407 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.588 -4.484 8.626 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.131 -5.941 7.713 1.00 3.40 H new ATOM 1060 N LEU A 67 2.995 -3.416 5.860 1.00 4.17 N ATOM 1061 CA LEU A 67 2.290 -2.150 5.564 1.00 3.85 C ATOM 1062 C LEU A 67 0.793 -2.351 5.800 1.00 3.80 C ATOM 1063 O LEU A 67 0.307 -3.425 5.420 1.00 5.54 O ATOM 1064 CB LEU A 67 2.402 -1.862 4.069 1.00 7.18 C ATOM 1065 CG LEU A 67 3.788 -1.920 3.471 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.562 -1.573 2.019 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.712 -0.896 4.148 1.00 11.66 C ATOM 0 H LEU A 67 2.658 -4.196 5.295 1.00 4.17 H new ATOM 0 HA LEU A 67 2.715 -1.359 6.182 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.771 -2.574 3.537 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.991 -0.870 3.881 1.00 7.18 H new ATOM 0 HG LEU A 67 4.271 -2.889 3.601 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.514 -1.587 1.489 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.887 -2.302 1.571 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.121 -0.579 1.947 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.706 -0.953 3.704 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.309 0.107 4.007 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.778 -1.114 5.214 1.00 11.66 H new ATOM 1079 N HIS A 68 0.131 -1.483 6.432 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.312 -1.681 6.631 1.00 4.17 C ATOM 1081 C HIS A 68 -2.149 -1.023 5.633 1.00 5.32 C ATOM 1082 O HIS A 68 -1.755 0.017 5.122 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.809 -1.200 7.963 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.465 -2.070 9.128 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.205 -2.560 9.411 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.276 -2.831 9.909 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.303 -3.430 10.443 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.556 -3.675 10.739 1.00 16.30 N ATOM 0 H HIS A 68 0.516 -0.627 6.832 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.404 -2.764 6.549 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.406 -0.204 8.144 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.893 -1.101 7.913 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.355 -2.783 9.885 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.542 -3.866 10.956 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.919 -4.337 11.425 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.311 -1.604 5.348 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.261 -0.968 4.462 1.00 3.97 C ATOM 1098 C LEU A 69 -5.497 -0.624 5.211 1.00 5.07 C ATOM 1099 O LEU A 69 -5.951 -1.485 6.001 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.660 -2.018 3.378 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.851 -1.625 2.467 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.540 -0.392 1.599 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.105 -2.812 1.533 1.00 9.96 C ATOM 0 H LEU A 69 -3.609 -2.507 5.718 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.821 -0.069 4.031 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.792 -2.210 2.747 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.903 -2.955 3.879 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.710 -1.382 3.093 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.405 -0.156 0.979 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.313 0.458 2.242 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.682 -0.603 0.961 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.939 -2.581 0.870 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.212 -3.005 0.939 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.346 -3.695 2.124 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.969 0.585 5.176 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.299 0.959 5.720 1.00 6.26 C ATOM 1117 C VAL A 70 -8.192 1.301 4.642 1.00 9.22 C ATOM 1118 O VAL A 70 -7.755 1.847 3.618 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.231 2.019 6.801 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.447 1.362 8.043 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.469 3.266 6.220 1.00 8.54 C ATOM 0 H VAL A 70 -5.459 1.370 4.771 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.708 0.087 6.231 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.215 2.353 7.131 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.371 2.089 8.851 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.991 0.485 8.394 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.447 1.066 7.727 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.408 4.043 6.982 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.463 2.971 5.921 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.007 3.650 5.353 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.534 1.168 4.948 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.621 1.328 3.975 1.00 16.06 C ATOM 1133 C LEU A 71 -11.767 2.255 4.466 1.00 18.09 C ATOM 1134 O LEU A 71 -12.167 2.237 5.631 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.196 0.051 3.364 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.170 -0.909 2.761 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.886 -2.190 2.329 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.504 -0.266 1.556 1.00 19.57 C ATOM 0 H LEU A 71 -9.865 0.946 5.887 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.094 1.820 3.157 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.756 -0.480 4.134 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.908 0.329 2.587 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.406 -1.142 3.503 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.164 -2.883 1.897 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.359 -2.652 3.195 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.646 -1.949 1.586 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.774 -0.956 1.132 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.259 -0.030 0.806 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.000 0.650 1.864 1.00 19.57 H new ATOM 1150 N ARG A 72 -12.236 3.177 3.610 1.00 21.47 N ATOM 1151 CA ARG A 72 -13.337 4.000 4.059 1.00 25.83 C ATOM 1152 C ARG A 72 -14.244 4.312 2.834 1.00 27.74 C ATOM 1153 O ARG A 72 -13.717 4.492 1.734 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.888 5.405 4.688 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.454 6.597 3.805 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.210 6.276 2.914 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.753 7.581 2.265 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.976 7.671 1.175 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.422 6.579 0.608 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.725 8.844 0.545 1.00 35.02 N ATOM 0 H ARG A 72 -11.890 3.355 2.667 1.00 21.47 H new ATOM 0 HA ARG A 72 -13.845 3.437 4.842 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -13.719 5.754 5.301 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.059 5.196 5.364 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.286 6.890 3.165 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.226 7.451 4.443 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.409 5.848 3.516 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.465 5.539 2.152 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.063 8.453 2.694 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.590 5.656 1.008 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.835 6.677 -0.221 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.134 9.710 0.897 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.127 8.861 -0.281 1.00 35.02 H new ATOM 1174 N LEU A 73 -15.604 4.392 3.029 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.556 4.595 1.994 1.00 30.76 C ATOM 1176 C LEU A 73 -16.364 5.925 1.176 1.00 32.18 C ATOM 1177 O LEU A 73 -15.721 6.879 1.689 1.00 32.31 O ATOM 1178 CB LEU A 73 -17.952 4.550 2.579 1.00 30.53 C ATOM 1179 CG LEU A 73 -18.300 3.074 2.981 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -19.642 3.017 3.720 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -18.259 2.043 1.858 1.00 29.11 C ATOM 0 H LEU A 73 -16.030 4.309 3.952 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.400 3.787 1.279 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -18.014 5.201 3.451 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -18.675 4.921 1.853 1.00 30.53 H new ATOM 0 HG LEU A 73 -17.487 2.779 3.644 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -19.865 1.985 3.990 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -19.586 3.624 4.623 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -20.430 3.401 3.073 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -18.517 1.061 2.256 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.974 2.320 1.083 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -17.257 2.010 1.431 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.719 5.979 -0.094 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.499 7.086 -0.991 1.00 35.33 C ATOM 1195 C ARG A 74 -17.206 8.367 -0.584 1.00 36.22 C ATOM 1196 O ARG A 74 -18.373 8.409 -0.262 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.923 6.667 -2.436 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.407 7.668 -3.528 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.804 7.357 -4.964 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.087 8.301 -5.899 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.448 9.579 -5.992 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.628 10.018 -5.586 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.537 10.491 -6.440 1.00 41.93 N ATOM 0 H ARG A 74 -17.197 5.202 -0.549 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.434 7.316 -0.950 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.537 5.670 -2.650 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.010 6.606 -2.489 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.772 8.665 -3.280 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.319 7.704 -3.473 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.551 6.325 -5.207 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.883 7.458 -5.085 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.315 7.954 -6.468 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.303 9.368 -5.183 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.863 11.006 -5.676 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.597 10.189 -6.697 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.796 11.475 -6.518 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.465 9.458 -0.652 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.774 10.710 0.031 1.00 36.07 C ATOM 1219 C GLY A 75 -16.283 10.842 1.421 1.00 36.16 C ATOM 1220 O GLY A 75 -16.639 11.795 2.055 1.00 36.26 O ATOM 0 H GLY A 75 -15.605 9.503 -1.199 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.361 11.530 -0.556 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.857 10.837 0.038 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.490 9.888 1.914 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.787 9.994 3.189 1.00 36.19 C ATOM 1226 C GLY A 76 -13.352 10.387 2.885 1.00 36.20 C ATOM 1227 O GLY A 76 -12.598 9.627 2.205 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.943 11.537 3.279 1.00 0.00 O ATOM 0 H GLY A 76 -15.317 9.007 1.429 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.262 10.738 3.828 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.820 9.046 3.725 1.00 36.19 H new TER 1232 GLY A 76