USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 159:sc= 1.16 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 150:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 172:sc= -0.103 (180deg=-0.208) USER MOD Single : A 1 MET N :NH3+ -176:sc= 2.44 (180deg=2.29) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.107 F(o=-1.6,f=-0.11) USER MOD Single : A 11 LYS NZ :NH3+ -102:sc= -0.572 (180deg=-1.92!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00529 X(o=-0.0053,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.62 (180deg=0.205!) USER MOD Single : A 29 LYS NZ :NH3+ -117:sc= -0.0145 (180deg=-0.352) USER MOD Single : A 31 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.83) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.02) USER MOD Single : A 41 GLN : amide:sc= 0.955 K(o=0.95,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00328 X(o=-0.0033,f=-0.43) USER MOD Single : A 55 THR OG1 : rot -70:sc= 1.21 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.603 USER MOD Single : A 60 ASN : amide:sc=-0.00733 X(o=-0.0073,f=-0.0015) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 100:sc= 1.04 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 ----------------------------------------------------------------- ATOM 1 N MET A 1 11.333 -7.124 -4.840 1.00 9.67 N ATOM 2 CA MET A 1 11.367 -7.369 -3.425 1.00 10.38 C ATOM 3 C MET A 1 10.021 -7.670 -2.890 1.00 9.62 C ATOM 4 O MET A 1 9.047 -7.144 -3.405 1.00 9.62 O ATOM 5 CB MET A 1 12.009 -6.082 -2.673 1.00 13.77 C ATOM 6 CG MET A 1 11.039 -4.883 -2.470 1.00 16.29 C ATOM 7 SD MET A 1 12.030 -3.492 -1.736 1.00 17.17 S ATOM 8 CE MET A 1 10.605 -2.409 -1.586 1.00 16.11 C ATOM 0 H1 MET A 1 12.302 -6.984 -5.191 1.00 9.67 H new ATOM 0 H2 MET A 1 10.904 -7.939 -5.323 1.00 9.67 H new ATOM 0 H3 MET A 1 10.769 -6.272 -5.031 1.00 9.67 H new ATOM 0 HA MET A 1 11.988 -8.246 -3.240 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.380 -6.398 -1.698 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.871 -5.739 -3.246 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.597 -4.581 -3.419 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.217 -5.160 -1.810 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.884 -1.516 -1.027 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.260 -2.123 -2.579 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.805 -2.931 -1.060 1.00 16.11 H new ATOM 20 N GLN A 2 9.987 -8.417 -1.797 1.00 9.27 N ATOM 21 CA GLN A 2 8.793 -8.661 -1.074 1.00 9.07 C ATOM 22 C GLN A 2 8.428 -7.573 -0.066 1.00 8.72 C ATOM 23 O GLN A 2 9.305 -7.103 0.614 1.00 8.22 O ATOM 24 CB GLN A 2 9.076 -10.003 -0.397 1.00 14.46 C ATOM 25 CG GLN A 2 7.911 -10.428 0.550 1.00 17.01 C ATOM 26 CD GLN A 2 8.291 -11.799 1.096 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.365 -12.838 0.808 1.00 21.89 O flip ATOM 28 NE2 GLN A 2 9.320 -11.899 1.755 1.00 19.49 N flip ATOM 0 H GLN A 2 10.811 -8.868 -1.399 1.00 9.27 H new ATOM 0 HA GLN A 2 7.921 -8.669 -1.729 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.225 -10.770 -1.157 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.002 -9.935 0.173 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.783 -9.708 1.358 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.965 -10.472 0.010 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.914 -11.083 1.900 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.582 -12.798 2.159 1.00 19.49 H new ATOM 37 N ILE A 3 7.142 -7.242 0.075 1.00 5.87 N ATOM 38 CA ILE A 3 6.637 -6.538 1.291 1.00 5.07 C ATOM 39 C ILE A 3 5.292 -7.235 1.612 1.00 4.01 C ATOM 40 O ILE A 3 4.719 -8.065 0.873 1.00 4.61 O ATOM 41 CB ILE A 3 6.367 -5.056 1.153 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.584 -4.734 -0.134 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.770 -4.319 1.179 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.286 -3.235 -0.320 1.00 10.83 C ATOM 0 H ILE A 3 6.425 -7.441 -0.622 1.00 5.87 H new ATOM 0 HA ILE A 3 7.412 -6.602 2.055 1.00 5.07 H new ATOM 0 HB ILE A 3 5.740 -4.711 1.975 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.152 -5.092 -0.993 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.643 -5.284 -0.123 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.618 -3.244 1.082 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.275 -4.530 2.122 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.383 -4.675 0.351 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.733 -3.086 -1.247 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.691 -2.875 0.519 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.223 -2.680 -0.364 1.00 10.83 H new ATOM 56 N PHE A 4 4.756 -6.921 2.794 1.00 4.55 N ATOM 57 CA PHE A 4 3.532 -7.535 3.356 1.00 4.68 C ATOM 58 C PHE A 4 2.552 -6.414 3.607 1.00 5.30 C ATOM 59 O PHE A 4 2.943 -5.317 4.055 1.00 5.58 O ATOM 60 CB PHE A 4 3.667 -8.393 4.670 1.00 4.83 C ATOM 61 CG PHE A 4 4.833 -9.311 4.545 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.769 -10.563 3.925 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.976 -9.016 5.275 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.850 -11.406 3.927 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.095 -9.859 5.230 1.00 10.61 C ATOM 66 CZ PHE A 4 7.038 -11.130 4.613 1.00 8.90 C ATOM 0 H PHE A 4 5.165 -6.217 3.408 1.00 4.55 H new ATOM 0 HA PHE A 4 3.217 -8.268 2.613 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.796 -7.739 5.533 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.755 -8.966 4.838 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.855 -10.870 3.438 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.004 -8.126 5.886 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.781 -12.329 3.371 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.022 -9.530 5.677 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.853 -11.837 4.667 1.00 8.90 H new ATOM 76 N VAL A 5 1.276 -6.629 3.225 1.00 4.44 N ATOM 77 CA VAL A 5 0.102 -5.697 3.338 1.00 3.87 C ATOM 78 C VAL A 5 -0.945 -6.391 4.201 1.00 4.93 C ATOM 79 O VAL A 5 -1.498 -7.406 3.868 1.00 6.84 O ATOM 80 CB VAL A 5 -0.392 -5.136 2.020 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.769 -4.488 2.128 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.595 -4.161 1.437 1.00 9.13 C ATOM 0 H VAL A 5 1.005 -7.515 2.798 1.00 4.44 H new ATOM 0 HA VAL A 5 0.405 -4.775 3.833 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.488 -5.989 1.348 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.068 -4.105 1.152 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.494 -5.229 2.465 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.730 -3.667 2.844 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.212 -3.776 0.492 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.743 -3.334 2.132 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.546 -4.665 1.264 1.00 9.13 H new ATOM 92 N LYS A 6 -1.354 -5.789 5.323 1.00 6.04 N ATOM 93 CA LYS A 6 -2.349 -6.275 6.335 1.00 6.12 C ATOM 94 C LYS A 6 -3.676 -5.638 6.198 1.00 6.57 C ATOM 95 O LYS A 6 -3.745 -4.422 6.372 1.00 5.76 O ATOM 96 CB LYS A 6 -1.873 -5.970 7.796 1.00 7.45 C ATOM 97 CG LYS A 6 -0.580 -6.703 8.203 1.00 11.12 C ATOM 98 CD LYS A 6 -0.804 -8.151 8.375 1.00 14.54 C ATOM 99 CE LYS A 6 0.445 -8.901 8.846 1.00 18.84 C ATOM 100 NZ LYS A 6 0.189 -10.328 9.062 1.00 20.55 N ATOM 0 H LYS A 6 -0.980 -4.877 5.585 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.427 -7.346 6.149 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.717 -4.896 7.899 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.667 -6.245 8.490 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.185 -6.541 7.443 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.200 -6.281 9.133 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.606 -8.305 9.096 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.140 -8.575 7.429 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.237 -8.784 8.106 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.806 -8.455 9.773 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.087 -10.851 9.028 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.256 -10.464 9.992 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.446 -10.683 8.319 1.00 20.55 H new ATOM 114 N THR A 7 -4.708 -6.429 5.929 1.00 7.41 N ATOM 115 CA THR A 7 -6.068 -5.949 5.600 1.00 7.48 C ATOM 116 C THR A 7 -6.819 -5.710 6.926 1.00 8.75 C ATOM 117 O THR A 7 -6.404 -6.128 8.020 1.00 8.58 O ATOM 118 CB THR A 7 -6.811 -6.844 4.580 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.397 -8.028 5.193 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.913 -7.358 3.486 1.00 9.17 C ATOM 0 H THR A 7 -4.633 -7.446 5.931 1.00 7.41 H new ATOM 0 HA THR A 7 -6.008 -5.002 5.065 1.00 7.48 H new ATOM 0 HB THR A 7 -7.581 -6.187 4.176 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.855 -8.558 4.508 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.491 -7.979 2.802 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.487 -6.517 2.940 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.110 -7.951 3.923 1.00 9.17 H new ATOM 128 N LEU A 8 -8.046 -5.134 6.868 1.00 9.84 N ATOM 129 CA LEU A 8 -8.927 -4.919 8.023 1.00 14.15 C ATOM 130 C LEU A 8 -9.244 -6.204 8.663 1.00 17.37 C ATOM 131 O LEU A 8 -9.196 -6.318 9.892 1.00 17.01 O ATOM 132 CB LEU A 8 -10.173 -4.167 7.471 1.00 16.63 C ATOM 133 CG LEU A 8 -9.917 -2.695 6.870 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.302 -2.150 6.473 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.447 -1.734 8.000 1.00 18.59 C ATOM 0 H LEU A 8 -8.451 -4.802 5.993 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.464 -4.321 8.808 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.623 -4.780 6.691 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.905 -4.085 8.274 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.190 -2.750 6.060 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.193 -1.149 6.056 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.751 -2.806 5.728 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.943 -2.109 7.354 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.276 -0.741 7.585 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.214 -1.678 8.772 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.521 -2.110 8.435 1.00 18.59 H new ATOM 147 N THR A 9 -9.489 -7.258 7.919 1.00 18.33 N ATOM 148 CA THR A 9 -9.818 -8.597 8.456 1.00 19.24 C ATOM 149 C THR A 9 -8.591 -9.426 8.689 1.00 19.48 C ATOM 150 O THR A 9 -8.635 -10.631 8.869 1.00 23.14 O ATOM 151 CB THR A 9 -10.902 -9.355 7.647 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.627 -9.246 6.262 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.337 -8.635 7.843 1.00 19.70 C ATOM 0 H THR A 9 -9.470 -7.228 6.900 1.00 18.33 H new ATOM 0 HA THR A 9 -10.274 -8.414 9.429 1.00 19.24 H new ATOM 0 HB THR A 9 -10.908 -10.390 7.990 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.313 -9.727 5.753 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.095 -9.172 7.272 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.606 -8.642 8.899 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.279 -7.605 7.490 1.00 19.70 H new ATOM 161 N GLY A 10 -7.363 -8.824 8.747 1.00 19.43 N ATOM 162 CA GLY A 10 -6.140 -9.497 9.207 1.00 18.74 C ATOM 163 C GLY A 10 -5.559 -10.456 8.183 1.00 17.62 C ATOM 164 O GLY A 10 -4.548 -11.114 8.442 1.00 19.74 O ATOM 0 H GLY A 10 -7.210 -7.854 8.471 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.391 -8.745 9.455 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.358 -10.044 10.124 1.00 18.74 H new ATOM 168 N LYS A 11 -6.107 -10.505 6.985 1.00 13.56 N ATOM 169 CA LYS A 11 -5.472 -11.231 5.824 1.00 11.91 C ATOM 170 C LYS A 11 -4.144 -10.521 5.467 1.00 10.18 C ATOM 171 O LYS A 11 -4.073 -9.348 5.688 1.00 9.10 O ATOM 172 CB LYS A 11 -6.399 -11.286 4.606 1.00 13.43 C ATOM 173 CG LYS A 11 -5.915 -12.205 3.489 1.00 16.69 C ATOM 174 CD LYS A 11 -7.010 -12.494 2.501 1.00 17.92 C ATOM 175 CE LYS A 11 -7.330 -11.310 1.611 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.349 -11.316 0.482 1.00 21.93 N ATOM 0 H LYS A 11 -6.995 -10.059 6.756 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.280 -12.263 6.117 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.386 -11.616 4.930 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.515 -10.278 4.207 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.072 -11.742 2.975 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.553 -13.140 3.917 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.717 -13.340 1.880 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.910 -12.790 3.040 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.350 -11.380 1.233 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.261 -10.379 2.173 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -5.613 -10.602 0.658 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -5.910 -12.256 0.409 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.841 -11.094 -0.407 1.00 21.93 H new ATOM 190 N THR A 12 -3.102 -11.210 4.921 1.00 9.63 N ATOM 191 CA THR A 12 -1.835 -10.643 4.548 1.00 9.85 C ATOM 192 C THR A 12 -1.584 -10.845 3.053 1.00 11.66 C ATOM 193 O THR A 12 -1.385 -11.944 2.556 1.00 12.33 O ATOM 194 CB THR A 12 -0.721 -11.316 5.274 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.902 -11.290 6.712 1.00 10.91 O ATOM 196 CG2 THR A 12 0.630 -10.697 4.881 1.00 9.63 C ATOM 0 H THR A 12 -3.154 -12.211 4.734 1.00 9.63 H new ATOM 0 HA THR A 12 -1.868 -9.583 4.798 1.00 9.85 H new ATOM 0 HB THR A 12 -0.729 -12.364 4.975 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.484 -12.083 7.109 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.432 -11.201 5.421 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.785 -10.814 3.808 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.632 -9.637 5.135 1.00 9.63 H new ATOM 204 N ILE A 13 -1.600 -9.726 2.274 1.00 10.42 N ATOM 205 CA ILE A 13 -1.273 -9.694 0.862 1.00 11.84 C ATOM 206 C ILE A 13 0.191 -9.709 0.688 1.00 10.55 C ATOM 207 O ILE A 13 0.958 -8.997 1.390 1.00 11.92 O ATOM 208 CB ILE A 13 -1.860 -8.458 0.164 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.422 -8.401 0.302 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.420 -8.395 -1.372 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.048 -7.100 -0.239 1.00 16.46 C ATOM 0 H ILE A 13 -1.851 -8.809 2.643 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.714 -10.578 0.402 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.453 -7.581 0.667 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.855 -9.249 -0.228 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.689 -8.512 1.353 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.851 -7.509 -1.838 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.333 -8.347 -1.437 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.775 -9.286 -1.889 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.130 -7.135 -0.109 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.644 -6.247 0.307 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.813 -6.996 -1.298 1.00 16.46 H new ATOM 223 N THR A 14 0.707 -10.600 -0.177 1.00 9.39 N ATOM 224 CA THR A 14 2.138 -10.691 -0.517 1.00 9.63 C ATOM 225 C THR A 14 2.401 -10.368 -1.978 1.00 11.20 C ATOM 226 O THR A 14 1.771 -10.901 -2.876 1.00 11.63 O ATOM 227 CB THR A 14 2.819 -12.024 -0.075 1.00 10.38 C ATOM 228 OG1 THR A 14 2.472 -12.283 1.282 1.00 16.30 O ATOM 229 CG2 THR A 14 4.304 -11.903 -0.040 1.00 11.66 C ATOM 0 H THR A 14 0.133 -11.287 -0.666 1.00 9.39 H new ATOM 0 HA THR A 14 2.621 -9.917 0.080 1.00 9.63 H new ATOM 0 HB THR A 14 2.497 -12.790 -0.780 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.892 -13.119 1.573 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.739 -12.852 0.272 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.672 -11.645 -1.033 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.589 -11.123 0.666 1.00 11.66 H new ATOM 237 N LEU A 15 3.263 -9.402 -2.283 1.00 8.29 N ATOM 238 CA LEU A 15 3.430 -8.792 -3.637 1.00 9.03 C ATOM 239 C LEU A 15 4.870 -8.809 -4.006 1.00 8.59 C ATOM 240 O LEU A 15 5.764 -8.997 -3.238 1.00 7.79 O ATOM 241 CB LEU A 15 2.934 -7.243 -3.632 1.00 11.08 C ATOM 242 CG LEU A 15 1.483 -6.949 -3.245 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.205 -5.487 -3.311 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.520 -7.655 -4.235 1.00 15.27 C ATOM 0 H LEU A 15 3.891 -8.997 -1.589 1.00 8.29 H new ATOM 0 HA LEU A 15 2.836 -9.366 -4.348 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.579 -6.689 -2.950 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.101 -6.837 -4.630 1.00 11.08 H new ATOM 0 HG LEU A 15 1.330 -7.312 -2.229 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.168 -5.301 -3.032 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.866 -4.960 -2.623 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.377 -5.129 -4.326 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.511 -7.442 -3.954 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.704 -7.289 -5.245 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.690 -8.731 -4.203 1.00 15.27 H new ATOM 256 N GLU A 16 5.142 -8.520 -5.309 1.00 11.04 N ATOM 257 CA GLU A 16 6.523 -8.388 -5.758 1.00 11.50 C ATOM 258 C GLU A 16 6.560 -6.968 -6.252 1.00 10.13 C ATOM 259 O GLU A 16 6.016 -6.595 -7.298 1.00 9.83 O ATOM 260 CB GLU A 16 6.810 -9.454 -6.813 1.00 17.22 C ATOM 261 CG GLU A 16 8.331 -9.543 -7.302 1.00 23.33 C ATOM 262 CD GLU A 16 9.185 -10.103 -6.213 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.949 -11.180 -5.640 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.242 -9.433 -5.951 1.00 28.90 O ATOM 0 H GLU A 16 4.437 -8.381 -6.032 1.00 11.04 H new ATOM 0 HA GLU A 16 7.297 -8.552 -5.008 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.517 -10.425 -6.413 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.178 -9.262 -7.680 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.400 -10.172 -8.190 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.690 -8.553 -7.584 1.00 23.33 H new ATOM 271 N VAL A 17 7.417 -6.112 -5.646 1.00 8.99 N ATOM 272 CA VAL A 17 7.491 -4.705 -5.800 1.00 8.85 C ATOM 273 C VAL A 17 8.962 -4.294 -5.955 1.00 8.04 C ATOM 274 O VAL A 17 9.876 -5.098 -5.758 1.00 8.99 O ATOM 275 CB VAL A 17 6.799 -3.930 -4.708 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.426 -4.506 -4.372 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.618 -3.923 -3.376 1.00 10.54 C ATOM 0 H VAL A 17 8.118 -6.453 -4.989 1.00 8.99 H new ATOM 0 HA VAL A 17 6.940 -4.445 -6.703 1.00 8.85 H new ATOM 0 HB VAL A 17 6.704 -2.919 -5.104 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.967 -3.914 -3.580 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.793 -4.479 -5.259 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.536 -5.537 -4.037 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.078 -3.352 -2.620 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.756 -4.947 -3.028 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.592 -3.465 -3.550 1.00 10.54 H new ATOM 287 N GLU A 18 9.189 -3.043 -6.506 1.00 7.29 N ATOM 288 CA GLU A 18 10.514 -2.443 -6.617 1.00 7.08 C ATOM 289 C GLU A 18 10.530 -1.244 -5.664 1.00 6.45 C ATOM 290 O GLU A 18 9.479 -0.617 -5.491 1.00 5.28 O ATOM 291 CB GLU A 18 10.755 -1.955 -8.035 1.00 10.28 C ATOM 292 CG GLU A 18 10.955 -3.134 -8.980 1.00 12.65 C ATOM 293 CD GLU A 18 11.822 -2.822 -10.209 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.083 -2.818 -10.070 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.223 -2.553 -11.273 1.00 18.17 O ATOM 0 H GLU A 18 8.442 -2.453 -6.873 1.00 7.29 H new ATOM 0 HA GLU A 18 11.289 -3.169 -6.370 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.908 -1.355 -8.368 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.633 -1.309 -8.059 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.412 -3.954 -8.427 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.979 -3.483 -9.318 1.00 12.65 H new ATOM 302 N PRO A 19 11.654 -0.867 -5.102 1.00 7.24 N ATOM 303 CA PRO A 19 11.753 0.238 -4.193 1.00 7.07 C ATOM 304 C PRO A 19 11.484 1.528 -4.939 1.00 6.65 C ATOM 305 O PRO A 19 11.120 2.438 -4.234 1.00 6.37 O ATOM 306 CB PRO A 19 13.174 0.124 -3.673 1.00 7.61 C ATOM 307 CG PRO A 19 13.967 -0.771 -4.617 1.00 8.16 C ATOM 308 CD PRO A 19 12.872 -1.664 -5.117 1.00 7.49 C ATOM 0 HA PRO A 19 11.033 0.231 -3.375 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.634 1.110 -3.611 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.176 -0.293 -2.666 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.445 -0.209 -5.420 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.753 -1.324 -4.103 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.091 -2.021 -6.124 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.768 -2.544 -4.483 1.00 7.49 H new ATOM 316 N SER A 20 11.705 1.627 -6.235 1.00 6.80 N ATOM 317 CA SER A 20 11.284 2.785 -7.037 1.00 6.28 C ATOM 318 C SER A 20 9.861 2.680 -7.558 1.00 8.45 C ATOM 319 O SER A 20 9.399 3.576 -8.246 1.00 7.26 O ATOM 320 CB SER A 20 12.222 3.208 -8.197 1.00 8.57 C ATOM 321 OG SER A 20 13.490 3.595 -7.746 1.00 11.13 O ATOM 0 H SER A 20 12.184 0.907 -6.776 1.00 6.80 H new ATOM 0 HA SER A 20 11.346 3.580 -6.294 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.326 2.379 -8.897 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.767 4.033 -8.745 1.00 8.57 H new ATOM 0 HG SER A 20 14.046 3.851 -8.512 1.00 11.13 H new ATOM 327 N ASP A 21 9.128 1.592 -7.268 1.00 7.50 N ATOM 328 CA ASP A 21 7.664 1.668 -7.555 1.00 7.70 C ATOM 329 C ASP A 21 6.958 2.728 -6.759 1.00 7.08 C ATOM 330 O ASP A 21 7.234 2.990 -5.584 1.00 8.11 O ATOM 331 CB ASP A 21 6.928 0.354 -7.373 1.00 11.00 C ATOM 332 CG ASP A 21 7.243 -0.685 -8.400 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.547 -0.382 -9.541 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.042 -1.871 -8.062 1.00 18.03 O ATOM 0 H ASP A 21 9.472 0.718 -6.871 1.00 7.50 H new ATOM 0 HA ASP A 21 7.633 1.933 -8.612 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.164 -0.046 -6.387 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.856 0.548 -7.389 1.00 11.00 H new ATOM 339 N THR A 22 5.999 3.458 -7.409 1.00 5.37 N ATOM 340 CA THR A 22 5.163 4.350 -6.642 1.00 6.01 C ATOM 341 C THR A 22 4.120 3.639 -5.799 1.00 8.01 C ATOM 342 O THR A 22 3.670 2.525 -6.071 1.00 8.11 O ATOM 343 CB THR A 22 4.455 5.461 -7.477 1.00 8.92 C ATOM 344 OG1 THR A 22 3.697 4.852 -8.511 1.00 10.22 O ATOM 345 CG2 THR A 22 5.480 6.380 -8.105 1.00 9.65 C ATOM 0 H THR A 22 5.814 3.430 -8.412 1.00 5.37 H new ATOM 0 HA THR A 22 5.886 4.832 -5.984 1.00 6.01 H new ATOM 0 HB THR A 22 3.808 6.040 -6.818 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.248 5.545 -9.039 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.971 7.150 -8.685 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.076 6.849 -7.322 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.132 5.803 -8.761 1.00 9.65 H new ATOM 353 N ILE A 23 3.677 4.314 -4.757 1.00 8.32 N ATOM 354 CA ILE A 23 2.609 3.935 -3.885 1.00 9.92 C ATOM 355 C ILE A 23 1.277 3.759 -4.696 1.00 10.01 C ATOM 356 O ILE A 23 0.511 2.829 -4.402 1.00 8.71 O ATOM 357 CB ILE A 23 2.530 4.984 -2.803 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.651 4.930 -1.761 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.150 5.028 -2.072 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.669 3.743 -0.833 1.00 12.30 C ATOM 0 H ILE A 23 4.092 5.206 -4.487 1.00 8.32 H new ATOM 0 HA ILE A 23 2.785 2.966 -3.417 1.00 9.92 H new ATOM 0 HB ILE A 23 2.660 5.906 -3.369 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.605 4.962 -2.288 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.592 5.833 -1.154 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.168 5.805 -1.308 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.363 5.246 -2.794 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.956 4.063 -1.603 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.512 3.830 -0.147 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.740 3.712 -0.264 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.768 2.827 -1.416 1.00 12.30 H new ATOM 372 N GLU A 24 0.961 4.512 -5.724 1.00 9.54 N ATOM 373 CA GLU A 24 -0.049 4.128 -6.651 1.00 11.81 C ATOM 374 C GLU A 24 0.071 2.762 -7.321 1.00 11.14 C ATOM 375 O GLU A 24 -0.911 2.036 -7.293 1.00 10.62 O ATOM 376 CB GLU A 24 -0.241 5.272 -7.676 1.00 19.24 C ATOM 377 CG GLU A 24 -1.269 4.990 -8.822 1.00 27.76 C ATOM 378 CD GLU A 24 -1.126 5.999 -9.973 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.198 7.217 -9.695 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.906 5.609 -11.157 1.00 36.51 O ATOM 0 H GLU A 24 1.404 5.407 -5.931 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.942 3.975 -6.046 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.559 6.166 -7.140 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.725 5.497 -8.127 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.121 3.980 -9.203 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.282 5.035 -8.422 1.00 27.76 H new ATOM 387 N ASN A 25 1.234 2.387 -7.813 1.00 9.43 N ATOM 388 CA ASN A 25 1.537 1.093 -8.406 1.00 10.96 C ATOM 389 C ASN A 25 1.360 -0.079 -7.355 1.00 9.68 C ATOM 390 O ASN A 25 0.776 -1.082 -7.705 1.00 9.33 O ATOM 391 CB ASN A 25 3.000 1.116 -8.977 1.00 16.78 C ATOM 392 CG ASN A 25 3.146 0.367 -10.282 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.801 0.758 -11.384 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.664 -0.869 -10.118 1.00 24.70 N ATOM 0 H ASN A 25 2.042 3.010 -7.811 1.00 9.43 H new ATOM 0 HA ASN A 25 0.835 0.905 -9.218 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.309 2.151 -9.124 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.677 0.683 -8.240 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.771 -1.488 -10.922 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.949 -1.184 -9.190 1.00 24.70 H new ATOM 401 N VAL A 26 1.748 0.114 -6.052 1.00 6.52 N ATOM 402 CA VAL A 26 1.575 -0.927 -5.026 1.00 5.53 C ATOM 403 C VAL A 26 0.102 -1.194 -4.759 1.00 4.42 C ATOM 404 O VAL A 26 -0.427 -2.335 -4.794 1.00 3.40 O ATOM 405 CB VAL A 26 2.233 -0.693 -3.671 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.042 -1.908 -2.741 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.729 -0.501 -3.891 1.00 8.12 C ATOM 0 H VAL A 26 2.175 0.974 -5.709 1.00 6.52 H new ATOM 0 HA VAL A 26 2.093 -1.772 -5.479 1.00 5.53 H new ATOM 0 HB VAL A 26 1.776 0.182 -3.209 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.522 -1.711 -1.782 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.978 -2.083 -2.585 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.491 -2.790 -3.198 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.219 -0.332 -2.932 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.145 -1.393 -4.359 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.894 0.359 -4.539 1.00 8.12 H new ATOM 417 N LYS A 27 -0.711 -0.157 -4.590 1.00 2.64 N ATOM 418 CA LYS A 27 -2.144 -0.251 -4.561 1.00 4.14 C ATOM 419 C LYS A 27 -2.810 -0.742 -5.874 1.00 5.58 C ATOM 420 O LYS A 27 -3.805 -1.417 -5.857 1.00 4.11 O ATOM 421 CB LYS A 27 -2.747 1.188 -4.168 1.00 3.97 C ATOM 422 CG LYS A 27 -2.311 1.714 -2.883 1.00 7.45 C ATOM 423 CD LYS A 27 -2.920 3.068 -2.460 1.00 9.02 C ATOM 424 CE LYS A 27 -2.613 4.269 -3.330 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.622 5.307 -3.189 1.00 15.47 N ATOM 0 H LYS A 27 -0.369 0.796 -4.467 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.375 -1.017 -3.821 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.476 1.902 -4.946 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.835 1.119 -4.164 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.545 0.978 -2.114 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.226 1.818 -2.905 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.003 2.952 -2.415 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.581 3.289 -1.448 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.636 4.672 -3.062 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.554 3.958 -4.373 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.583 5.943 -4.011 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.564 4.870 -3.133 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.441 5.852 -2.322 1.00 15.47 H new ATOM 439 N ALA A 28 -2.291 -0.339 -7.074 1.00 6.61 N ATOM 440 CA ALA A 28 -2.778 -0.848 -8.378 1.00 7.74 C ATOM 441 C ALA A 28 -2.692 -2.367 -8.494 1.00 9.17 C ATOM 442 O ALA A 28 -3.639 -3.018 -8.891 1.00 11.45 O ATOM 443 CB ALA A 28 -1.993 -0.172 -9.516 1.00 7.68 C ATOM 0 H ALA A 28 -1.533 0.339 -7.155 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.836 -0.596 -8.454 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.350 -0.545 -10.476 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.140 0.907 -9.469 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.932 -0.398 -9.411 1.00 7.68 H new ATOM 449 N LYS A 29 -1.630 -2.898 -7.951 1.00 8.96 N ATOM 450 CA LYS A 29 -1.434 -4.349 -7.864 1.00 7.90 C ATOM 451 C LYS A 29 -2.480 -5.004 -6.908 1.00 6.92 C ATOM 452 O LYS A 29 -3.050 -6.046 -7.227 1.00 6.87 O ATOM 453 CB LYS A 29 0.029 -4.702 -7.361 1.00 10.28 C ATOM 454 CG LYS A 29 1.146 -4.456 -8.432 1.00 14.94 C ATOM 455 CD LYS A 29 2.502 -4.556 -7.732 1.00 19.69 C ATOM 456 CE LYS A 29 3.652 -4.698 -8.758 1.00 22.63 C ATOM 457 NZ LYS A 29 3.592 -6.035 -9.312 1.00 24.98 N ATOM 0 H LYS A 29 -0.867 -2.351 -7.552 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.571 -4.750 -8.868 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.251 -4.107 -6.475 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.055 -5.748 -7.057 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.075 -5.192 -9.233 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.025 -3.474 -8.890 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.665 -3.669 -7.120 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.504 -5.413 -7.058 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.553 -3.953 -9.548 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.615 -4.527 -8.277 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.461 -6.552 -9.067 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.769 -6.536 -8.921 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.503 -5.978 -10.347 1.00 24.98 H new ATOM 471 N ILE A 30 -2.795 -4.289 -5.805 1.00 4.57 N ATOM 472 CA ILE A 30 -3.808 -4.669 -4.858 1.00 5.58 C ATOM 473 C ILE A 30 -5.210 -4.600 -5.497 1.00 7.26 C ATOM 474 O ILE A 30 -6.091 -5.371 -5.066 1.00 9.46 O ATOM 475 CB ILE A 30 -3.764 -3.882 -3.600 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.463 -4.180 -2.744 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.047 -4.155 -2.699 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.101 -3.127 -1.710 1.00 2.00 C ATOM 0 H ILE A 30 -2.328 -3.415 -5.564 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.593 -5.701 -4.581 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.746 -2.835 -3.904 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.597 -5.134 -2.233 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.621 -4.299 -3.426 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.983 -3.563 -1.786 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.945 -3.876 -3.250 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.093 -5.213 -2.443 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.197 -3.431 -1.183 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.928 -2.173 -2.208 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.919 -3.021 -0.997 1.00 2.00 H new ATOM 490 N GLN A 31 -5.433 -3.800 -6.581 1.00 7.06 N ATOM 491 CA GLN A 31 -6.745 -3.708 -7.242 1.00 8.67 C ATOM 492 C GLN A 31 -6.939 -4.962 -8.055 1.00 10.90 C ATOM 493 O GLN A 31 -8.036 -5.484 -8.170 1.00 9.63 O ATOM 494 CB GLN A 31 -6.777 -2.427 -8.137 1.00 9.12 C ATOM 495 CG GLN A 31 -8.112 -2.329 -8.955 1.00 10.76 C ATOM 496 CD GLN A 31 -8.297 -1.035 -9.702 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.235 -0.279 -9.471 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.338 -0.658 -10.567 1.00 14.76 N ATOM 0 H GLN A 31 -4.713 -3.215 -7.006 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.556 -3.626 -6.518 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.667 -1.542 -7.511 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.929 -2.440 -8.822 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.147 -3.153 -9.668 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.951 -2.462 -8.272 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.555 -1.281 -10.764 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.394 0.251 -11.026 1.00 14.76 H new ATOM 507 N ASP A 32 -5.868 -5.491 -8.714 1.00 10.93 N ATOM 508 CA ASP A 32 -5.995 -6.756 -9.502 1.00 14.01 C ATOM 509 C ASP A 32 -6.196 -8.008 -8.619 1.00 14.04 C ATOM 510 O ASP A 32 -6.971 -8.860 -8.977 1.00 13.39 O ATOM 511 CB ASP A 32 -4.742 -6.983 -10.420 1.00 18.01 C ATOM 512 CG ASP A 32 -4.335 -5.733 -11.198 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.149 -5.076 -11.885 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.094 -5.451 -11.144 1.00 25.17 O ATOM 0 H ASP A 32 -4.935 -5.078 -8.718 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.889 -6.626 -10.112 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.903 -7.310 -9.806 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.955 -7.788 -11.123 1.00 18.01 H new ATOM 519 N LYS A 33 -5.524 -8.079 -7.473 1.00 14.22 N ATOM 520 CA LYS A 33 -5.551 -9.160 -6.469 1.00 14.00 C ATOM 521 C LYS A 33 -6.782 -9.173 -5.632 1.00 12.37 C ATOM 522 O LYS A 33 -7.396 -10.249 -5.508 1.00 12.17 O ATOM 523 CB LYS A 33 -4.429 -9.004 -5.346 1.00 18.62 C ATOM 524 CG LYS A 33 -3.028 -9.286 -5.969 1.00 24.00 C ATOM 525 CD LYS A 33 -2.601 -10.775 -5.949 1.00 27.61 C ATOM 526 CE LYS A 33 -1.103 -10.877 -6.299 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.664 -12.258 -6.307 1.00 30.06 N ATOM 0 H LYS A 33 -4.894 -7.327 -7.192 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.438 -10.043 -7.098 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.457 -7.998 -4.926 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.621 -9.697 -4.527 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.027 -8.935 -7.001 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.282 -8.700 -5.432 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.787 -11.206 -4.965 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.194 -11.345 -6.664 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.923 -10.429 -7.276 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.517 -10.310 -5.575 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.347 -12.299 -6.545 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.816 -12.676 -5.367 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.208 -12.791 -7.015 1.00 30.06 H new ATOM 541 N GLU A 34 -7.221 -8.102 -5.045 1.00 10.11 N ATOM 542 CA GLU A 34 -8.314 -8.125 -4.099 1.00 10.07 C ATOM 543 C GLU A 34 -9.597 -7.472 -4.602 1.00 9.32 C ATOM 544 O GLU A 34 -10.703 -7.599 -4.052 1.00 11.61 O ATOM 545 CB GLU A 34 -8.011 -7.257 -2.916 1.00 14.77 C ATOM 546 CG GLU A 34 -6.792 -7.641 -2.100 1.00 18.75 C ATOM 547 CD GLU A 34 -6.874 -9.036 -1.540 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.759 -9.236 -0.720 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.070 -9.915 -1.976 1.00 25.19 O ATOM 0 H GLU A 34 -6.832 -7.173 -5.206 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.436 -9.189 -3.897 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.880 -6.233 -3.267 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.879 -7.260 -2.257 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.903 -7.558 -2.725 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.673 -6.933 -1.280 1.00 18.75 H new ATOM 556 N GLY A 35 -9.384 -6.691 -5.662 1.00 7.22 N ATOM 557 CA GLY A 35 -10.560 -5.977 -6.229 1.00 6.29 C ATOM 558 C GLY A 35 -11.075 -4.837 -5.313 1.00 6.93 C ATOM 559 O GLY A 35 -12.259 -4.812 -4.902 1.00 7.41 O ATOM 0 H GLY A 35 -8.489 -6.534 -6.125 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.293 -5.562 -7.201 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.365 -6.692 -6.398 1.00 6.29 H new ATOM 563 N ILE A 36 -10.178 -3.907 -4.989 1.00 5.86 N ATOM 564 CA ILE A 36 -10.406 -2.708 -4.160 1.00 6.07 C ATOM 565 C ILE A 36 -9.825 -1.577 -5.084 1.00 6.36 C ATOM 566 O ILE A 36 -8.669 -1.608 -5.495 1.00 6.18 O ATOM 567 CB ILE A 36 -9.615 -2.720 -2.812 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.911 -4.004 -1.982 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.131 -1.422 -2.084 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.822 -4.286 -0.945 1.00 9.49 C ATOM 0 H ILE A 36 -9.213 -3.967 -5.314 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.451 -2.606 -3.869 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.534 -2.728 -2.952 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.871 -3.895 -1.478 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.999 -4.857 -2.655 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.638 -1.327 -1.116 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.904 -0.548 -2.694 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.209 -1.491 -1.937 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.073 -5.191 -0.391 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.866 -4.423 -1.450 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.751 -3.446 -0.254 1.00 9.49 H new ATOM 582 N PRO A 37 -10.618 -0.469 -5.344 1.00 8.65 N ATOM 583 CA PRO A 37 -10.072 0.726 -6.047 1.00 9.18 C ATOM 584 C PRO A 37 -8.870 1.370 -5.347 1.00 9.85 C ATOM 585 O PRO A 37 -8.902 1.497 -4.149 1.00 8.51 O ATOM 586 CB PRO A 37 -11.231 1.693 -6.178 1.00 11.42 C ATOM 587 CG PRO A 37 -12.470 0.778 -6.088 1.00 9.27 C ATOM 588 CD PRO A 37 -12.063 -0.341 -5.088 1.00 8.33 C ATOM 0 HA PRO A 37 -9.672 0.431 -7.017 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.224 2.439 -5.384 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.198 2.234 -7.124 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.343 1.327 -5.734 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.728 0.363 -7.063 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.271 -0.061 -4.055 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.595 -1.273 -5.279 1.00 8.33 H new ATOM 596 N PRO A 38 -7.806 1.880 -5.997 1.00 8.71 N ATOM 597 CA PRO A 38 -6.644 2.463 -5.318 1.00 9.08 C ATOM 598 C PRO A 38 -7.021 3.729 -4.635 1.00 9.28 C ATOM 599 O PRO A 38 -6.393 4.224 -3.711 1.00 6.50 O ATOM 600 CB PRO A 38 -5.669 2.567 -6.542 1.00 10.31 C ATOM 601 CG PRO A 38 -5.882 1.296 -7.323 1.00 10.81 C ATOM 602 CD PRO A 38 -7.468 1.261 -7.318 1.00 12.00 C ATOM 0 HA PRO A 38 -6.196 1.914 -4.490 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.891 3.445 -7.149 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.634 2.660 -6.214 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.466 1.346 -8.329 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.441 0.425 -6.838 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.888 1.827 -8.150 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.851 0.244 -7.398 1.00 12.00 H new ATOM 610 N ASP A 39 -8.054 4.417 -5.151 1.00 11.20 N ATOM 611 CA ASP A 39 -8.537 5.643 -4.546 1.00 14.96 C ATOM 612 C ASP A 39 -9.131 5.490 -3.174 1.00 13.99 C ATOM 613 O ASP A 39 -8.885 6.272 -2.306 1.00 13.75 O ATOM 614 CB ASP A 39 -9.526 6.321 -5.520 1.00 24.16 C ATOM 615 CG ASP A 39 -9.969 7.748 -5.135 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.170 8.557 -4.560 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.167 8.008 -5.364 1.00 35.55 O ATOM 0 H ASP A 39 -8.563 4.133 -5.988 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.665 6.275 -4.379 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.068 6.356 -6.508 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.414 5.694 -5.603 1.00 24.16 H new ATOM 622 N GLN A 40 -9.915 4.397 -3.042 1.00 11.60 N ATOM 623 CA GLN A 40 -10.365 3.976 -1.715 1.00 10.76 C ATOM 624 C GLN A 40 -9.273 3.423 -0.808 1.00 8.01 C ATOM 625 O GLN A 40 -9.189 3.728 0.362 1.00 8.96 O ATOM 626 CB GLN A 40 -11.431 2.901 -1.876 1.00 11.14 C ATOM 627 CG GLN A 40 -12.163 2.517 -0.546 1.00 14.85 C ATOM 628 CD GLN A 40 -13.292 1.528 -0.878 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.385 0.485 -0.240 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.148 1.866 -1.838 1.00 18.16 N ATOM 0 H GLN A 40 -10.236 3.814 -3.815 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.740 4.879 -1.233 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.171 3.245 -2.598 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.969 2.007 -2.294 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.461 2.068 0.157 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.569 3.408 -0.066 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.029 2.745 -2.341 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.924 1.246 -2.071 1.00 18.16 H new ATOM 639 N GLN A 41 -8.334 2.630 -1.301 1.00 6.52 N ATOM 640 CA GLN A 41 -7.193 2.151 -0.510 1.00 3.87 C ATOM 641 C GLN A 41 -6.240 3.217 0.079 1.00 4.79 C ATOM 642 O GLN A 41 -5.647 4.050 -0.614 1.00 6.34 O ATOM 643 CB GLN A 41 -6.279 1.314 -1.464 1.00 4.20 C ATOM 644 CG GLN A 41 -6.818 -0.045 -1.908 1.00 3.20 C ATOM 645 CD GLN A 41 -5.778 -0.643 -2.850 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.655 -0.839 -2.352 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.085 -0.893 -4.120 1.00 7.13 N ATOM 0 H GLN A 41 -8.335 2.295 -2.264 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.655 1.627 0.327 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.080 1.910 -2.355 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.322 1.155 -0.967 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.982 -0.696 -1.049 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.778 0.065 -2.412 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.028 -0.708 -4.463 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.378 -1.269 -4.751 1.00 7.13 H new ATOM 656 N ARG A 42 -6.002 3.173 1.423 1.00 5.73 N ATOM 657 CA ARG A 42 -5.092 4.048 2.148 1.00 6.97 C ATOM 658 C ARG A 42 -4.048 3.216 2.875 1.00 7.15 C ATOM 659 O ARG A 42 -4.351 2.456 3.803 1.00 7.33 O ATOM 660 CB ARG A 42 -5.927 4.870 3.171 1.00 13.23 C ATOM 661 CG ARG A 42 -6.755 5.882 2.350 1.00 21.27 C ATOM 662 CD ARG A 42 -7.075 7.189 3.132 1.00 26.14 C ATOM 663 NE ARG A 42 -7.555 8.183 2.137 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.162 9.333 2.419 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.699 9.570 3.596 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.448 10.213 1.486 1.00 36.39 N ATOM 0 H ARG A 42 -6.464 2.498 2.032 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.578 4.718 1.458 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.578 4.218 3.753 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.276 5.384 3.878 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.210 6.135 1.440 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.689 5.412 2.042 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.834 7.007 3.893 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.188 7.557 3.648 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.406 7.965 1.152 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.658 8.860 4.328 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.157 10.463 3.777 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.204 10.023 0.514 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.914 11.086 1.734 1.00 36.39 H new ATOM 680 N LEU A 43 -2.768 3.286 2.480 1.00 4.65 N ATOM 681 CA LEU A 43 -1.706 2.511 3.019 1.00 3.51 C ATOM 682 C LEU A 43 -1.015 3.302 4.136 1.00 5.56 C ATOM 683 O LEU A 43 -0.826 4.467 4.053 1.00 4.19 O ATOM 684 CB LEU A 43 -0.616 2.138 2.062 1.00 3.74 C ATOM 685 CG LEU A 43 -0.974 1.109 1.046 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.103 1.091 -0.200 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.135 -0.306 1.674 1.00 6.41 C ATOM 0 H LEU A 43 -2.460 3.920 1.743 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.193 1.593 3.347 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.291 3.039 1.541 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.237 1.775 2.635 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.951 1.426 0.680 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.448 0.307 -0.874 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.168 2.056 -0.703 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.932 0.898 0.082 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.396 -1.022 0.895 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.197 -0.605 2.142 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.925 -0.283 2.425 1.00 6.41 H new ATOM 699 N ILE A 44 -0.654 2.577 5.191 1.00 4.58 N ATOM 700 CA ILE A 44 -0.095 3.030 6.447 1.00 5.55 C ATOM 701 C ILE A 44 1.161 2.308 6.748 1.00 5.46 C ATOM 702 O ILE A 44 1.260 1.066 6.700 1.00 6.04 O ATOM 703 CB ILE A 44 -1.064 2.686 7.653 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.595 3.109 7.360 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.618 3.415 8.959 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.878 4.586 7.151 1.00 13.90 C ATOM 0 H ILE A 44 -0.758 1.562 5.180 1.00 4.58 H new ATOM 0 HA ILE A 44 0.062 4.104 6.345 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.006 1.604 7.774 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.930 2.572 6.473 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.207 2.762 8.193 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.301 3.160 9.769 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.392 3.102 9.224 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.633 4.493 8.797 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.942 4.730 6.964 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.588 5.142 8.043 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.307 4.948 6.296 1.00 13.90 H new ATOM 718 N PHE A 45 2.315 2.982 7.053 1.00 6.75 N ATOM 719 CA PHE A 45 3.646 2.428 7.422 1.00 4.70 C ATOM 720 C PHE A 45 3.982 3.254 8.657 1.00 6.34 C ATOM 721 O PHE A 45 4.145 4.445 8.598 1.00 5.45 O ATOM 722 CB PHE A 45 4.619 2.819 6.285 1.00 5.51 C ATOM 723 CG PHE A 45 5.978 2.195 6.521 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.132 0.795 6.714 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.172 2.987 6.546 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.388 0.224 6.859 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.438 2.335 6.533 1.00 6.64 C ATOM 728 CZ PHE A 45 8.526 0.976 6.678 1.00 6.84 C ATOM 0 H PHE A 45 2.333 4.002 7.045 1.00 6.75 H new ATOM 0 HA PHE A 45 3.687 1.350 7.581 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.221 2.488 5.326 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.713 3.904 6.234 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.256 0.165 6.748 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.112 4.065 6.574 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.473 -0.821 7.117 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.338 2.918 6.407 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.492 0.493 6.650 1.00 6.84 H new ATOM 738 N ALA A 46 4.084 2.548 9.819 1.00 6.53 N ATOM 739 CA ALA A 46 4.417 3.100 11.124 1.00 7.15 C ATOM 740 C ALA A 46 3.614 4.334 11.619 1.00 9.00 C ATOM 741 O ALA A 46 4.150 5.290 12.102 1.00 11.15 O ATOM 742 CB ALA A 46 5.952 3.496 11.048 1.00 8.99 C ATOM 0 H ALA A 46 3.926 1.541 9.851 1.00 6.53 H new ATOM 0 HA ALA A 46 4.160 2.329 11.850 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.266 3.919 12.002 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.546 2.608 10.831 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.099 4.233 10.258 1.00 8.99 H new ATOM 748 N GLY A 47 2.286 4.289 11.343 1.00 9.35 N ATOM 749 CA GLY A 47 1.319 5.367 11.643 1.00 11.68 C ATOM 750 C GLY A 47 1.347 6.568 10.709 1.00 11.14 C ATOM 751 O GLY A 47 0.654 7.547 10.973 1.00 13.93 O ATOM 0 H GLY A 47 1.851 3.482 10.895 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.315 4.942 11.626 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.500 5.718 12.659 1.00 11.68 H new ATOM 755 N LYS A 48 2.115 6.474 9.589 1.00 10.47 N ATOM 756 CA LYS A 48 2.082 7.565 8.582 1.00 8.82 C ATOM 757 C LYS A 48 1.197 7.023 7.442 1.00 7.68 C ATOM 758 O LYS A 48 1.252 5.888 7.101 1.00 6.47 O ATOM 759 CB LYS A 48 3.466 7.933 8.015 1.00 9.74 C ATOM 760 CG LYS A 48 3.512 9.145 7.028 1.00 14.14 C ATOM 761 CD LYS A 48 3.407 10.568 7.634 1.00 16.32 C ATOM 762 CE LYS A 48 4.714 11.012 8.275 1.00 20.04 C ATOM 763 NZ LYS A 48 4.692 12.398 8.815 1.00 23.92 N ATOM 0 H LYS A 48 2.735 5.694 9.369 1.00 10.47 H new ATOM 0 HA LYS A 48 1.708 8.478 9.045 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.132 8.147 8.851 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.869 7.059 7.503 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.445 9.087 6.467 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.701 9.025 6.310 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.128 11.275 6.853 1.00 16.32 H new ATOM 0 HD3 LYS A 48 2.612 10.587 8.380 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.961 10.324 9.083 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.512 10.935 7.536 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.617 12.622 9.233 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.488 13.067 8.045 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 3.955 12.475 9.544 1.00 23.92 H new ATOM 777 N GLN A 49 0.403 7.964 6.892 1.00 8.89 N ATOM 778 CA GLN A 49 -0.363 7.789 5.711 1.00 7.18 C ATOM 779 C GLN A 49 0.358 8.325 4.475 1.00 8.23 C ATOM 780 O GLN A 49 0.818 9.494 4.294 1.00 9.70 O ATOM 781 CB GLN A 49 -1.721 8.435 5.936 1.00 11.67 C ATOM 782 CG GLN A 49 -2.784 7.897 5.031 1.00 15.82 C ATOM 783 CD GLN A 49 -4.180 8.211 5.565 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.855 7.289 6.050 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.523 9.539 5.511 1.00 20.67 N ATOM 0 H GLN A 49 0.296 8.893 7.300 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.503 6.727 5.508 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.022 8.282 6.972 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.634 9.511 5.785 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.668 8.326 4.036 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.666 6.818 4.929 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.886 10.213 5.086 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.414 9.852 5.896 1.00 20.67 H new ATOM 794 N LEU A 50 0.517 7.390 3.565 1.00 6.51 N ATOM 795 CA LEU A 50 1.427 7.495 2.498 1.00 7.41 C ATOM 796 C LEU A 50 0.725 7.993 1.233 1.00 8.27 C ATOM 797 O LEU A 50 -0.438 7.598 0.881 1.00 8.34 O ATOM 798 CB LEU A 50 1.976 6.140 2.119 1.00 7.13 C ATOM 799 CG LEU A 50 2.640 5.329 3.350 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.256 4.083 2.804 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.557 6.146 4.215 1.00 9.11 C ATOM 0 H LEU A 50 -0.010 6.517 3.567 1.00 6.51 H new ATOM 0 HA LEU A 50 2.209 8.176 2.834 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.171 5.540 1.694 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.724 6.269 1.337 1.00 7.13 H new ATOM 0 HG LEU A 50 1.855 5.058 4.056 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.712 3.517 3.616 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.487 3.476 2.325 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.019 4.345 2.071 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.956 5.521 5.014 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.379 6.532 3.611 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.003 6.979 4.648 1.00 9.11 H new ATOM 813 N GLU A 51 1.412 8.918 0.477 1.00 9.43 N ATOM 814 CA GLU A 51 0.788 9.650 -0.612 1.00 11.90 C ATOM 815 C GLU A 51 0.949 8.840 -1.972 1.00 11.49 C ATOM 816 O GLU A 51 2.059 8.404 -2.307 1.00 9.88 O ATOM 817 CB GLU A 51 1.407 11.052 -0.690 1.00 16.56 C ATOM 818 CG GLU A 51 0.887 12.049 0.376 1.00 26.06 C ATOM 819 CD GLU A 51 -0.501 12.536 0.080 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.636 13.559 -0.682 1.00 32.13 O ATOM 821 OE2 GLU A 51 -1.505 11.967 0.603 1.00 33.44 O ATOM 0 H GLU A 51 2.394 9.151 0.626 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.281 9.764 -0.433 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.489 10.963 -0.588 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.213 11.465 -1.680 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.899 11.569 1.354 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.563 12.902 0.432 1.00 26.06 H new ATOM 828 N ASP A 52 -0.129 8.653 -2.801 1.00 12.71 N ATOM 829 CA ASP A 52 -0.176 8.058 -4.148 1.00 16.56 C ATOM 830 C ASP A 52 1.116 8.108 -5.094 1.00 15.83 C ATOM 831 O ASP A 52 1.708 7.083 -5.485 1.00 17.21 O ATOM 832 CB ASP A 52 -1.375 8.847 -4.780 1.00 21.05 C ATOM 833 CG ASP A 52 -2.633 8.120 -4.370 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.876 7.064 -4.981 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.440 8.573 -3.508 1.00 28.37 O ATOM 0 H ASP A 52 -1.059 8.946 -2.502 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.261 6.975 -4.057 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.390 9.878 -4.426 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.285 8.884 -5.866 1.00 21.05 H new ATOM 840 N GLY A 53 1.584 9.324 -5.412 1.00 15.00 N ATOM 841 CA GLY A 53 2.568 9.593 -6.409 1.00 11.77 C ATOM 842 C GLY A 53 3.992 9.514 -5.908 1.00 11.10 C ATOM 843 O GLY A 53 4.919 9.815 -6.614 1.00 11.25 O ATOM 0 H GLY A 53 1.256 10.170 -4.945 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.443 8.885 -7.228 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.393 10.588 -6.818 1.00 11.77 H new ATOM 847 N ARG A 54 4.187 9.125 -4.662 1.00 8.53 N ATOM 848 CA ARG A 54 5.525 9.128 -3.984 1.00 9.05 C ATOM 849 C ARG A 54 5.976 7.622 -3.887 1.00 8.96 C ATOM 850 O ARG A 54 5.159 6.824 -4.220 1.00 11.60 O ATOM 851 CB ARG A 54 5.340 9.753 -2.536 1.00 7.97 C ATOM 852 CG ARG A 54 5.011 11.292 -2.629 1.00 9.62 C ATOM 853 CD ARG A 54 6.239 12.171 -2.957 1.00 12.20 C ATOM 854 NE ARG A 54 5.761 13.527 -3.000 1.00 18.23 N ATOM 855 CZ ARG A 54 6.486 14.567 -2.657 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.760 14.548 -2.242 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.896 15.781 -2.889 1.00 23.38 N ATOM 0 H ARG A 54 3.432 8.790 -4.064 1.00 8.53 H new ATOM 0 HA ARG A 54 6.271 9.712 -4.523 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.537 9.236 -2.012 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.249 9.605 -1.952 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.250 11.446 -3.394 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.582 11.621 -1.682 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.014 12.055 -2.200 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.680 11.883 -3.911 1.00 12.20 H new ATOM 0 HE ARG A 54 4.805 13.690 -3.315 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.259 13.662 -2.169 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.230 15.420 -1.999 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.963 15.825 -3.299 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.390 16.642 -2.652 1.00 23.38 H new ATOM 871 N THR A 55 7.255 7.303 -3.719 1.00 9.05 N ATOM 872 CA THR A 55 7.843 5.992 -3.921 1.00 9.03 C ATOM 873 C THR A 55 8.124 5.314 -2.561 1.00 8.15 C ATOM 874 O THR A 55 7.922 5.816 -1.514 1.00 5.91 O ATOM 875 CB THR A 55 9.094 5.874 -4.783 1.00 11.15 C ATOM 876 OG1 THR A 55 10.275 6.366 -4.118 1.00 11.95 O ATOM 877 CG2 THR A 55 8.970 6.521 -6.166 1.00 11.71 C ATOM 0 H THR A 55 7.944 7.994 -3.422 1.00 9.05 H new ATOM 0 HA THR A 55 7.072 5.492 -4.507 1.00 9.03 H new ATOM 0 HB THR A 55 9.200 4.801 -4.941 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.224 7.342 -4.040 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.904 6.391 -6.713 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.157 6.048 -6.717 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.761 7.585 -6.053 1.00 11.71 H new ATOM 885 N LEU A 56 8.402 3.988 -2.597 1.00 6.91 N ATOM 886 CA LEU A 56 8.679 3.247 -1.423 1.00 8.29 C ATOM 887 C LEU A 56 9.951 3.778 -0.709 1.00 8.05 C ATOM 888 O LEU A 56 9.944 3.885 0.547 1.00 10.17 O ATOM 889 CB LEU A 56 8.812 1.752 -1.743 1.00 6.60 C ATOM 890 CG LEU A 56 7.547 1.040 -2.142 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.800 -0.387 -2.588 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.431 1.095 -1.099 1.00 8.64 C ATOM 0 H LEU A 56 8.431 3.438 -3.456 1.00 6.91 H new ATOM 0 HA LEU A 56 7.839 3.375 -0.740 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.537 1.638 -2.548 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.226 1.250 -0.868 1.00 6.60 H new ATOM 0 HG LEU A 56 7.184 1.607 -2.999 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.855 -0.855 -2.865 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.470 -0.386 -3.448 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.257 -0.947 -1.773 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.559 0.557 -1.471 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.775 0.633 -0.173 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.162 2.134 -0.908 1.00 8.64 H new ATOM 904 N SER A 57 11.048 4.136 -1.441 1.00 8.92 N ATOM 905 CA SER A 57 12.285 4.716 -0.897 1.00 9.00 C ATOM 906 C SER A 57 12.077 6.117 -0.293 1.00 9.44 C ATOM 907 O SER A 57 12.770 6.550 0.605 1.00 10.91 O ATOM 908 CB SER A 57 13.451 4.784 -1.913 1.00 10.32 C ATOM 909 OG SER A 57 13.940 3.504 -2.415 1.00 13.59 O ATOM 0 H SER A 57 11.083 4.020 -2.454 1.00 8.92 H new ATOM 0 HA SER A 57 12.563 4.019 -0.107 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.131 5.386 -2.763 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.283 5.310 -1.445 1.00 10.32 H new ATOM 0 HG SER A 57 14.672 3.659 -3.048 1.00 13.59 H new ATOM 915 N ASP A 58 10.982 6.808 -0.690 1.00 9.11 N ATOM 916 CA ASP A 58 10.712 8.137 -0.122 1.00 7.91 C ATOM 917 C ASP A 58 10.071 8.096 1.301 1.00 9.12 C ATOM 918 O ASP A 58 10.218 8.999 2.114 1.00 8.61 O ATOM 919 CB ASP A 58 9.562 8.872 -1.009 1.00 8.41 C ATOM 920 CG ASP A 58 10.125 9.272 -2.343 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.067 10.151 -2.340 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.708 8.821 -3.408 1.00 11.70 O ATOM 0 H ASP A 58 10.300 6.479 -1.374 1.00 9.11 H new ATOM 0 HA ASP A 58 11.682 8.634 -0.101 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.714 8.202 -1.148 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.190 9.751 -0.483 1.00 8.41 H new ATOM 927 N TYR A 59 9.516 6.904 1.531 1.00 7.97 N ATOM 928 CA TYR A 59 8.955 6.495 2.825 1.00 8.45 C ATOM 929 C TYR A 59 9.732 5.533 3.689 1.00 10.98 C ATOM 930 O TYR A 59 9.231 5.057 4.733 1.00 12.95 O ATOM 931 CB TYR A 59 7.559 5.811 2.560 1.00 7.94 C ATOM 932 CG TYR A 59 6.471 6.868 2.233 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.242 7.929 3.064 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.894 6.821 0.935 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.270 8.894 2.656 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.948 7.790 0.542 1.00 6.52 C ATOM 937 CZ TYR A 59 4.665 8.854 1.425 1.00 6.76 C ATOM 938 OH TYR A 59 3.988 9.929 0.928 1.00 7.63 O ATOM 0 H TYR A 59 9.442 6.183 0.813 1.00 7.97 H new ATOM 0 HA TYR A 59 8.941 7.429 3.386 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.647 5.107 1.732 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.260 5.236 3.437 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.777 8.034 3.996 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.181 6.040 0.247 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.002 9.684 3.342 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.451 7.719 -0.414 1.00 6.52 H new ATOM 0 HH TYR A 59 4.401 10.216 0.087 1.00 7.63 H new ATOM 948 N ASN A 60 10.930 5.260 3.202 1.00 12.38 N ATOM 949 CA ASN A 60 11.945 4.462 3.853 1.00 13.94 C ATOM 950 C ASN A 60 11.609 2.969 3.979 1.00 14.16 C ATOM 951 O ASN A 60 12.085 2.297 4.888 1.00 14.26 O ATOM 952 CB ASN A 60 12.306 5.040 5.269 1.00 19.23 C ATOM 953 CG ASN A 60 12.796 6.499 5.172 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.185 7.345 5.838 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.877 6.693 4.390 1.00 24.09 N ATOM 0 H ASN A 60 11.233 5.610 2.293 1.00 12.38 H new ATOM 0 HA ASN A 60 12.807 4.528 3.189 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.432 4.991 5.918 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.079 4.425 5.729 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.280 7.625 4.300 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.291 5.907 3.889 1.00 24.09 H new ATOM 962 N ILE A 61 10.787 2.476 3.057 1.00 11.08 N ATOM 963 CA ILE A 61 10.317 1.133 3.067 1.00 11.78 C ATOM 964 C ILE A 61 11.312 0.302 2.387 1.00 13.74 C ATOM 965 O ILE A 61 11.426 0.275 1.167 1.00 14.60 O ATOM 966 CB ILE A 61 8.962 0.935 2.382 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.842 1.830 3.086 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.552 -0.511 2.327 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.523 1.781 2.352 1.00 11.42 C ATOM 0 H ILE A 61 10.434 3.027 2.275 1.00 11.08 H new ATOM 0 HA ILE A 61 10.175 0.853 4.111 1.00 11.78 H new ATOM 0 HB ILE A 61 9.070 1.265 1.349 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.698 1.488 4.111 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.187 2.863 3.140 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.585 -0.596 1.832 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.296 -1.079 1.769 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.477 -0.907 3.340 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.795 2.405 2.870 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.659 2.149 1.335 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.162 0.753 2.320 1.00 11.42 H new ATOM 981 N GLN A 62 11.920 -0.629 3.103 1.00 13.97 N ATOM 982 CA GLN A 62 12.809 -1.609 2.548 1.00 15.52 C ATOM 983 C GLN A 62 12.068 -2.934 2.510 1.00 13.94 C ATOM 984 O GLN A 62 11.098 -3.072 3.156 1.00 12.15 O ATOM 985 CB GLN A 62 14.155 -1.822 3.277 1.00 19.53 C ATOM 986 CG GLN A 62 15.000 -0.519 3.235 1.00 26.38 C ATOM 987 CD GLN A 62 16.261 -0.580 4.171 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.343 -0.767 3.660 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.092 -0.371 5.522 1.00 32.71 N ATOM 0 H GLN A 62 11.799 -0.718 4.112 1.00 13.97 H new ATOM 0 HA GLN A 62 13.087 -1.224 1.567 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.974 -2.114 4.312 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.706 -2.637 2.808 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.322 -0.333 2.210 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.375 0.324 3.530 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.158 -0.218 5.901 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.901 -0.369 6.143 1.00 32.71 H new ATOM 998 N LYS A 63 12.597 -3.884 1.726 1.00 11.73 N ATOM 999 CA LYS A 63 12.352 -5.256 1.805 1.00 11.97 C ATOM 1000 C LYS A 63 11.826 -5.862 3.071 1.00 10.41 C ATOM 1001 O LYS A 63 12.425 -5.649 4.142 1.00 9.59 O ATOM 1002 CB LYS A 63 13.552 -5.986 1.143 1.00 13.73 C ATOM 1003 CG LYS A 63 13.727 -7.505 1.406 1.00 16.98 C ATOM 1004 CD LYS A 63 15.064 -7.911 0.774 1.00 20.19 C ATOM 1005 CE LYS A 63 15.272 -9.386 0.746 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.445 -9.707 -0.165 1.00 25.97 N ATOM 0 H LYS A 63 13.251 -3.653 0.978 1.00 11.73 H new ATOM 0 HA LYS A 63 11.431 -5.423 1.247 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.475 -5.842 0.065 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.465 -5.486 1.467 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.725 -7.715 2.476 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.905 -8.071 0.968 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.111 -7.524 -0.244 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.878 -7.446 1.330 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.465 -9.757 1.752 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.371 -9.886 0.389 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.595 -10.736 -0.188 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.242 -9.365 -1.126 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.302 -9.240 0.195 1.00 25.97 H new ATOM 1020 N GLU A 64 10.709 -6.640 3.002 1.00 10.04 N ATOM 1021 CA GLU A 64 10.045 -7.258 4.138 1.00 10.94 C ATOM 1022 C GLU A 64 9.613 -6.254 5.212 1.00 9.74 C ATOM 1023 O GLU A 64 10.114 -6.293 6.339 1.00 9.42 O ATOM 1024 CB GLU A 64 10.984 -8.373 4.697 1.00 18.31 C ATOM 1025 CG GLU A 64 10.882 -9.670 3.908 1.00 24.16 C ATOM 1026 CD GLU A 64 11.852 -10.700 4.573 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.819 -10.902 5.808 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.646 -11.307 3.809 1.00 31.72 O ATOM 0 H GLU A 64 10.248 -6.848 2.116 1.00 10.04 H new ATOM 0 HA GLU A 64 9.107 -7.700 3.803 1.00 10.94 H new ATOM 0 HB2 GLU A 64 12.015 -8.019 4.677 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.733 -8.565 5.740 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.859 -10.045 3.917 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.152 -9.507 2.865 1.00 24.16 H new ATOM 1035 N SER A 65 8.710 -5.420 4.853 1.00 6.85 N ATOM 1036 CA SER A 65 8.157 -4.419 5.726 1.00 6.90 C ATOM 1037 C SER A 65 6.671 -4.708 5.750 1.00 4.72 C ATOM 1038 O SER A 65 6.181 -5.146 4.699 1.00 3.91 O ATOM 1039 CB SER A 65 8.391 -2.991 5.241 1.00 7.28 C ATOM 1040 OG SER A 65 9.718 -2.668 5.563 1.00 10.56 O ATOM 0 H SER A 65 8.313 -5.404 3.914 1.00 6.85 H new ATOM 0 HA SER A 65 8.635 -4.472 6.704 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.224 -2.915 4.167 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.697 -2.301 5.721 1.00 7.28 H new ATOM 0 HG SER A 65 10.281 -2.767 4.767 1.00 10.56 H new ATOM 1046 N THR A 66 5.969 -4.402 6.836 1.00 4.48 N ATOM 1047 CA THR A 66 4.608 -4.790 7.007 1.00 3.80 C ATOM 1048 C THR A 66 3.747 -3.551 7.027 1.00 4.60 C ATOM 1049 O THR A 66 3.659 -2.745 7.964 1.00 5.33 O ATOM 1050 CB THR A 66 4.410 -5.615 8.298 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.089 -6.844 8.282 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.885 -5.951 8.366 1.00 3.40 C ATOM 0 H THR A 66 6.349 -3.872 7.620 1.00 4.48 H new ATOM 0 HA THR A 66 4.315 -5.429 6.174 1.00 3.80 H new ATOM 0 HB THR A 66 4.790 -5.034 9.138 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.927 -7.318 9.124 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.681 -6.537 9.262 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.310 -5.026 8.398 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.599 -6.525 7.485 1.00 3.40 H new ATOM 1060 N LEU A 67 3.045 -3.337 5.883 1.00 4.17 N ATOM 1061 CA LEU A 67 2.112 -2.247 5.635 1.00 3.85 C ATOM 1062 C LEU A 67 0.680 -2.600 6.083 1.00 3.80 C ATOM 1063 O LEU A 67 0.168 -3.699 5.880 1.00 5.54 O ATOM 1064 CB LEU A 67 2.035 -1.705 4.173 1.00 7.18 C ATOM 1065 CG LEU A 67 3.220 -0.823 3.697 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.570 -1.566 3.721 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.926 -0.161 2.305 1.00 11.66 C ATOM 0 H LEU A 67 3.131 -3.960 5.080 1.00 4.17 H new ATOM 0 HA LEU A 67 2.540 -1.447 6.239 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.951 -2.556 3.498 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.117 -1.126 4.072 1.00 7.18 H new ATOM 0 HG LEU A 67 3.316 -0.015 4.423 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.359 -0.897 3.378 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.788 -1.892 4.738 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.519 -2.435 3.064 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.778 0.449 2.005 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.756 -0.939 1.561 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.039 0.468 2.381 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.004 -1.602 6.660 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.364 -1.666 7.145 1.00 4.17 C ATOM 1081 C HIS A 68 -2.171 -1.032 6.037 1.00 5.32 C ATOM 1082 O HIS A 68 -1.789 0.000 5.510 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.744 -1.135 8.472 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.638 -2.156 9.485 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.435 -2.662 9.858 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.513 -2.955 10.164 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.663 -3.712 10.737 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.902 -3.939 10.962 1.00 16.30 N ATOM 0 H HIS A 68 0.413 -0.682 6.802 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.555 -2.716 7.364 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.100 -0.294 8.729 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.765 -0.756 8.438 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.585 -2.841 10.094 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.133 -4.285 11.190 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -2.332 -4.645 11.560 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.349 -1.582 5.591 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.149 -0.949 4.614 1.00 3.97 C ATOM 1098 C LEU A 69 -5.517 -0.733 5.276 1.00 5.07 C ATOM 1099 O LEU A 69 -6.135 -1.685 5.701 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.437 -2.041 3.525 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.490 -1.729 2.446 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.144 -0.403 1.756 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.704 -2.932 1.465 1.00 9.96 C ATOM 0 H LEU A 69 -3.723 -2.470 5.927 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.689 -0.040 4.226 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.497 -2.264 3.019 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.746 -2.951 4.039 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.463 -1.595 2.918 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.891 -0.184 0.993 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.134 0.399 2.494 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.161 -0.481 1.291 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.455 -2.666 0.721 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.764 -3.165 0.964 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.042 -3.803 2.026 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.019 0.562 5.292 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.330 0.840 5.869 1.00 6.26 C ATOM 1117 C VAL A 70 -8.089 1.490 4.689 1.00 9.22 C ATOM 1118 O VAL A 70 -7.515 1.755 3.660 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.211 1.774 7.113 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.501 0.938 8.228 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.450 3.030 6.702 1.00 8.54 C ATOM 0 H VAL A 70 -5.531 1.376 4.919 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.845 -0.041 6.253 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.172 2.113 7.501 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.392 1.547 9.125 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.099 0.056 8.458 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.516 0.627 7.878 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.357 3.696 7.560 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.457 2.754 6.347 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.992 3.539 5.905 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.430 1.553 4.722 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.183 1.843 3.496 1.00 16.06 C ATOM 1133 C LEU A 71 -10.982 3.160 3.720 1.00 18.09 C ATOM 1134 O LEU A 71 -11.844 3.157 4.594 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.146 0.705 3.087 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.318 -0.613 2.719 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.210 -1.866 2.485 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.466 -0.369 1.495 1.00 19.57 C ATOM 0 H LEU A 71 -9.999 1.412 5.557 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.470 1.943 2.678 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.838 0.493 3.902 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.747 1.016 2.232 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.692 -0.827 3.586 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.580 -2.721 2.240 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.779 -2.082 3.390 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.898 -1.674 1.661 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.907 -1.273 1.255 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.106 -0.103 0.653 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.770 0.446 1.693 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.732 4.190 2.863 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.611 5.316 2.646 1.00 25.83 C ATOM 1152 C ARG A 72 -13.113 5.140 2.762 1.00 27.74 C ATOM 1153 O ARG A 72 -13.647 4.340 1.991 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.221 6.053 1.344 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.692 7.465 1.288 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.125 8.267 0.126 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.689 9.656 0.262 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.491 10.740 -0.583 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.548 10.778 -1.485 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.134 11.867 -0.284 1.00 35.02 N ATOM 0 H ARG A 72 -9.882 4.236 2.301 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.424 5.920 3.534 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.136 6.037 1.240 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.631 5.509 0.493 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.780 7.471 1.222 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.427 7.962 2.221 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.036 8.284 0.159 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.408 7.823 -0.829 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.288 9.821 1.071 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.914 9.986 -1.594 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.445 11.599 -2.081 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.740 11.906 0.536 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.021 12.691 -0.875 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.802 5.912 3.650 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.248 5.905 3.824 1.00 30.76 C ATOM 1176 C LEU A 73 -16.081 6.538 2.733 1.00 32.18 C ATOM 1177 O LEU A 73 -15.758 7.643 2.230 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.656 6.716 5.146 1.00 30.53 C ATOM 1179 CG LEU A 73 -17.186 6.547 5.494 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.454 5.060 5.907 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.706 7.284 6.685 1.00 29.11 C ATOM 0 H LEU A 73 -13.334 6.569 4.274 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.463 4.837 3.843 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.053 6.369 5.985 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.430 7.773 5.007 1.00 30.53 H new ATOM 0 HG LEU A 73 -17.669 6.922 4.592 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.509 4.934 6.149 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.190 4.400 5.081 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.849 4.810 6.779 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -18.769 7.077 6.805 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.170 6.959 7.577 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -17.559 8.355 6.543 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.093 5.856 2.225 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.055 6.401 1.262 1.00 35.33 C ATOM 1195 C ARG A 74 -18.757 7.617 1.826 1.00 36.22 C ATOM 1196 O ARG A 74 -19.469 7.536 2.864 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.020 5.272 0.910 1.00 36.91 C ATOM 1198 CG ARG A 74 -20.222 5.689 -0.019 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.827 6.194 -1.414 1.00 39.75 C ATOM 1200 NE ARG A 74 -19.023 5.174 -2.032 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.851 5.376 -2.616 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.237 6.520 -2.578 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.153 4.337 -3.176 1.00 41.93 N ATOM 0 H ARG A 74 -17.279 4.884 2.472 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.557 6.749 0.357 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.460 4.476 0.419 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.422 4.856 1.834 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -20.885 4.831 -0.135 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.795 6.469 0.483 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.714 6.398 -2.013 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.271 7.128 -1.340 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.384 4.220 -2.020 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.656 7.308 -2.084 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.335 6.631 -3.042 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.535 3.392 -3.147 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.252 4.510 -3.622 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.603 8.792 1.180 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.028 10.116 1.597 1.00 36.07 C ATOM 1219 C GLY A 75 -17.901 10.917 2.132 1.00 36.16 C ATOM 1220 O GLY A 75 -17.991 12.142 2.258 1.00 36.26 O ATOM 0 H GLY A 75 -18.135 8.825 0.274 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.474 10.637 0.750 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.802 10.025 2.359 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.799 10.216 2.458 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.643 10.882 3.102 1.00 36.19 C ATOM 1226 C GLY A 76 -14.401 10.961 2.122 1.00 36.20 C ATOM 1227 O GLY A 76 -14.377 11.847 1.208 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.508 10.107 2.295 1.00 0.00 O ATOM 0 H GLY A 76 -16.681 9.216 2.293 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.927 11.887 3.413 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.363 10.337 4.003 1.00 36.19 H new TER 1232 GLY A 76