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 55 THR OG1 : rot 129:sc= 1.03 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.873 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 174:sc= 0.585 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 123:sc= 0.536 USER MOD Single : A 1 MET CE :methyl 145:sc= -0.265 (180deg=-2.07) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.28 (180deg=1.21) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 7 THR OG1 : rot -48:sc= 1.19 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= 1.23 (180deg=-0.103!) 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= 0.00329 USER MOD Single : A 25 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.51) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 2.41 (180deg=2.09) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= -0.0484 (180deg=-0.266) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 33 LYS NZ :NH3+ 141:sc= 0.00739 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.65 K(o=-1.7,f=-2.6) USER MOD Single : A 41 GLN : amide:sc= 0.149 K(o=0.15,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.244 USER MOD Single : A 60 ASN : amide:sc=-0.00369 X(o=-0.0037,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 114:sc= 1.1 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.856 -6.564 -5.328 1.00 9.67 N ATOM 2 CA MET A 1 11.587 -6.550 -3.907 1.00 10.38 C ATOM 3 C MET A 1 10.305 -7.182 -3.565 1.00 9.62 C ATOM 4 O MET A 1 9.455 -7.333 -4.370 1.00 9.62 O ATOM 5 CB MET A 1 11.731 -5.085 -3.380 1.00 13.77 C ATOM 6 CG MET A 1 12.039 -4.839 -1.925 1.00 16.29 C ATOM 7 SD MET A 1 12.433 -3.137 -1.570 1.00 17.17 S ATOM 8 CE MET A 1 10.677 -2.625 -1.774 1.00 16.11 C ATOM 0 H1 MET A 1 12.787 -6.137 -5.509 1.00 9.67 H new ATOM 0 H2 MET A 1 11.852 -7.545 -5.672 1.00 9.67 H new ATOM 0 H3 MET A 1 11.123 -6.020 -5.826 1.00 9.67 H new ATOM 0 HA MET A 1 12.325 -7.167 -3.395 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.516 -4.605 -3.964 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.801 -4.565 -3.608 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.182 -5.140 -1.323 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.876 -5.469 -1.626 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.447 -1.825 -1.070 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.518 -2.270 -2.792 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.025 -3.477 -1.581 1.00 16.11 H new ATOM 20 N GLN A 2 10.122 -7.717 -2.306 1.00 9.27 N ATOM 21 CA GLN A 2 8.964 -8.397 -1.806 1.00 9.07 C ATOM 22 C GLN A 2 8.447 -7.670 -0.604 1.00 8.72 C ATOM 23 O GLN A 2 9.269 -7.325 0.286 1.00 8.22 O ATOM 24 CB GLN A 2 9.378 -9.768 -1.397 1.00 14.46 C ATOM 25 CG GLN A 2 8.247 -10.670 -0.788 1.00 17.01 C ATOM 26 CD GLN A 2 8.795 -12.098 -0.515 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.465 -12.257 0.517 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.324 -13.099 -1.275 1.00 19.49 N ATOM 0 H GLN A 2 10.856 -7.657 -1.600 1.00 9.27 H new ATOM 0 HA GLN A 2 8.188 -8.439 -2.570 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.793 -10.277 -2.267 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.181 -9.681 -0.665 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.879 -10.230 0.139 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.402 -10.721 -1.475 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.779 -12.891 -2.112 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.511 -14.068 -1.016 1.00 19.49 H new ATOM 37 N ILE A 3 7.121 -7.331 -0.485 1.00 5.87 N ATOM 38 CA ILE A 3 6.587 -6.640 0.683 1.00 5.07 C ATOM 39 C ILE A 3 5.211 -7.156 0.916 1.00 4.01 C ATOM 40 O ILE A 3 4.599 -7.693 -0.014 1.00 4.61 O ATOM 41 CB ILE A 3 6.554 -5.085 0.591 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.717 -4.553 -0.628 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.968 -4.484 0.636 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.566 -3.022 -0.630 1.00 10.83 C ATOM 0 H ILE A 3 6.422 -7.537 -1.199 1.00 5.87 H new ATOM 0 HA ILE A 3 7.268 -6.848 1.509 1.00 5.07 H new ATOM 0 HB ILE A 3 6.026 -4.738 1.479 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.196 -4.867 -1.555 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.728 -5.010 -0.610 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.904 -3.398 0.569 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.452 -4.762 1.572 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.552 -4.865 -0.202 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.979 -2.715 -1.496 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.061 -2.705 0.282 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.552 -2.559 -0.678 1.00 10.83 H new ATOM 56 N PHE A 4 4.758 -7.038 2.174 1.00 4.55 N ATOM 57 CA PHE A 4 3.506 -7.625 2.652 1.00 4.68 C ATOM 58 C PHE A 4 2.571 -6.478 3.184 1.00 5.30 C ATOM 59 O PHE A 4 2.981 -5.522 3.868 1.00 5.58 O ATOM 60 CB PHE A 4 3.624 -8.619 3.801 1.00 4.83 C ATOM 61 CG PHE A 4 4.510 -9.743 3.437 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.056 -10.925 2.804 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.862 -9.611 3.762 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.955 -12.032 2.651 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.795 -10.663 3.512 1.00 10.61 C ATOM 66 CZ PHE A 4 6.319 -11.873 2.959 1.00 8.90 C ATOM 0 H PHE A 4 5.263 -6.523 2.895 1.00 4.55 H new ATOM 0 HA PHE A 4 3.123 -8.166 1.786 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.014 -8.115 4.685 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.636 -8.999 4.061 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.042 -10.993 2.439 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.210 -8.693 4.212 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.586 -12.985 2.300 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.843 -10.536 3.741 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.008 -12.683 2.771 1.00 8.90 H new ATOM 76 N VAL A 5 1.283 -6.596 2.840 1.00 4.44 N ATOM 77 CA VAL A 5 0.271 -5.624 3.219 1.00 3.87 C ATOM 78 C VAL A 5 -0.733 -6.267 4.098 1.00 4.93 C ATOM 79 O VAL A 5 -1.375 -7.249 3.735 1.00 6.84 O ATOM 80 CB VAL A 5 -0.399 -5.087 1.960 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.504 -4.109 2.221 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.599 -4.408 1.016 1.00 9.13 C ATOM 0 H VAL A 5 0.920 -7.374 2.289 1.00 4.44 H new ATOM 0 HA VAL A 5 0.734 -4.799 3.761 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.823 -5.979 1.499 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.927 -3.776 1.273 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.281 -4.588 2.817 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.109 -3.250 2.764 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.074 -4.042 0.134 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.074 -3.572 1.529 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.360 -5.127 0.713 1.00 9.13 H new ATOM 92 N LYS A 6 -0.961 -5.791 5.347 1.00 6.04 N ATOM 93 CA LYS A 6 -2.047 -6.132 6.258 1.00 6.12 C ATOM 94 C LYS A 6 -3.342 -5.314 5.905 1.00 6.57 C ATOM 95 O LYS A 6 -3.277 -4.190 5.386 1.00 5.76 O ATOM 96 CB LYS A 6 -1.621 -5.803 7.710 1.00 7.45 C ATOM 97 CG LYS A 6 -0.374 -6.641 8.053 1.00 11.12 C ATOM 98 CD LYS A 6 -0.738 -8.045 8.575 1.00 14.54 C ATOM 99 CE LYS A 6 0.518 -8.887 8.560 1.00 18.84 C ATOM 100 NZ LYS A 6 0.301 -10.283 8.786 1.00 20.55 N ATOM 0 H LYS A 6 -0.331 -5.105 5.763 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.263 -7.196 6.161 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.402 -4.740 7.809 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.432 -6.028 8.403 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.252 -6.737 7.166 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.217 -6.118 8.805 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.144 -7.983 9.585 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.508 -8.497 7.949 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.013 -8.761 7.597 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.201 -8.511 9.321 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.195 -10.798 8.659 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.047 -10.428 9.755 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.403 -10.639 8.108 1.00 20.55 H new ATOM 114 N THR A 7 -4.516 -5.808 6.291 1.00 7.41 N ATOM 115 CA THR A 7 -5.794 -5.155 5.843 1.00 7.48 C ATOM 116 C THR A 7 -6.765 -5.184 7.004 1.00 8.75 C ATOM 117 O THR A 7 -6.486 -5.859 7.997 1.00 8.58 O ATOM 118 CB THR A 7 -6.433 -5.852 4.700 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.717 -7.206 4.980 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.465 -5.942 3.509 1.00 9.17 C ATOM 0 H THR A 7 -4.634 -6.625 6.890 1.00 7.41 H new ATOM 0 HA THR A 7 -5.550 -4.143 5.520 1.00 7.48 H new ATOM 0 HB THR A 7 -7.336 -5.276 4.496 1.00 9.61 H new ATOM 0 HG1 THR A 7 -5.924 -7.633 5.367 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.953 -6.457 2.681 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.181 -4.938 3.195 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.574 -6.495 3.805 1.00 9.17 H new ATOM 128 N LEU A 8 -7.897 -4.450 6.934 1.00 9.84 N ATOM 129 CA LEU A 8 -8.673 -4.298 8.148 1.00 14.15 C ATOM 130 C LEU A 8 -9.478 -5.499 8.495 1.00 17.37 C ATOM 131 O LEU A 8 -9.852 -5.707 9.627 1.00 17.01 O ATOM 132 CB LEU A 8 -9.672 -3.111 8.052 1.00 16.63 C ATOM 133 CG LEU A 8 -9.083 -1.673 8.013 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.093 -0.744 7.429 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.578 -1.205 9.449 1.00 18.59 C ATOM 0 H LEU A 8 -8.263 -3.988 6.102 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.922 -4.126 8.919 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.274 -3.251 7.154 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.350 -3.173 8.904 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.200 -1.663 7.374 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.684 0.266 7.400 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.340 -1.065 6.417 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.994 -0.753 8.043 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.173 -0.195 9.381 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.413 -1.215 10.149 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.802 -1.884 9.801 1.00 18.59 H new ATOM 147 N THR A 9 -9.693 -6.478 7.573 1.00 18.33 N ATOM 148 CA THR A 9 -10.521 -7.699 7.821 1.00 19.24 C ATOM 149 C THR A 9 -9.661 -8.774 8.500 1.00 19.48 C ATOM 150 O THR A 9 -10.108 -9.784 9.033 1.00 23.14 O ATOM 151 CB THR A 9 -11.104 -8.255 6.496 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.230 -8.885 5.523 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.977 -7.172 5.785 1.00 19.70 C ATOM 0 H THR A 9 -9.297 -6.445 6.634 1.00 18.33 H new ATOM 0 HA THR A 9 -11.352 -7.426 8.472 1.00 19.24 H new ATOM 0 HB THR A 9 -11.679 -9.103 6.868 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.758 -9.179 4.751 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.378 -7.580 4.857 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.799 -6.881 6.439 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.364 -6.299 5.563 1.00 19.70 H new ATOM 161 N GLY A 10 -8.329 -8.543 8.438 1.00 19.43 N ATOM 162 CA GLY A 10 -7.316 -9.419 9.024 1.00 18.74 C ATOM 163 C GLY A 10 -6.606 -10.293 7.967 1.00 17.62 C ATOM 164 O GLY A 10 -5.650 -11.023 8.256 1.00 19.74 O ATOM 0 H GLY A 10 -7.933 -7.728 7.970 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.576 -8.814 9.547 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.784 -10.063 9.768 1.00 18.74 H new ATOM 168 N LYS A 11 -7.053 -10.285 6.666 1.00 13.56 N ATOM 169 CA LYS A 11 -6.299 -10.836 5.562 1.00 11.91 C ATOM 170 C LYS A 11 -4.983 -10.090 5.290 1.00 10.18 C ATOM 171 O LYS A 11 -4.787 -8.868 5.544 1.00 9.10 O ATOM 172 CB LYS A 11 -7.260 -10.745 4.294 1.00 13.43 C ATOM 173 CG LYS A 11 -6.792 -11.608 3.218 1.00 16.69 C ATOM 174 CD LYS A 11 -7.938 -11.680 2.191 1.00 17.92 C ATOM 175 CE LYS A 11 -7.602 -12.807 1.209 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.426 -12.763 -0.075 1.00 21.93 N ATOM 0 H LYS A 11 -7.951 -9.888 6.389 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.002 -11.859 5.794 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.272 -11.031 4.580 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.307 -9.714 3.943 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.887 -11.206 2.763 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.545 -12.600 3.595 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.888 -11.875 2.689 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.043 -10.731 1.665 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.544 -12.752 0.954 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.762 -13.766 1.701 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.858 -13.130 -0.865 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.278 -13.348 0.039 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.704 -11.781 -0.275 1.00 21.93 H new ATOM 190 N THR A 12 -3.935 -10.775 4.838 1.00 9.63 N ATOM 191 CA THR A 12 -2.659 -10.205 4.489 1.00 9.85 C ATOM 192 C THR A 12 -2.580 -10.395 2.968 1.00 11.66 C ATOM 193 O THR A 12 -2.990 -11.404 2.398 1.00 12.33 O ATOM 194 CB THR A 12 -1.550 -10.835 5.223 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.710 -10.704 6.625 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.247 -10.095 4.987 1.00 9.63 C ATOM 0 H THR A 12 -3.965 -11.786 4.703 1.00 9.63 H new ATOM 0 HA THR A 12 -2.569 -9.155 4.766 1.00 9.85 H new ATOM 0 HB THR A 12 -1.542 -11.869 4.879 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.710 -11.592 7.039 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.554 -10.583 5.542 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.010 -10.105 3.923 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.347 -9.064 5.326 1.00 9.63 H new ATOM 204 N ILE A 13 -1.941 -9.488 2.229 1.00 10.42 N ATOM 205 CA ILE A 13 -1.669 -9.603 0.846 1.00 11.84 C ATOM 206 C ILE A 13 -0.121 -9.735 0.706 1.00 10.55 C ATOM 207 O ILE A 13 0.601 -9.042 1.396 1.00 11.92 O ATOM 208 CB ILE A 13 -2.253 -8.487 -0.015 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.697 -8.035 0.445 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.145 -8.885 -1.495 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.282 -6.857 -0.372 1.00 16.46 C ATOM 0 H ILE A 13 -1.591 -8.616 2.626 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.175 -10.485 0.454 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.662 -7.582 0.124 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.373 -8.886 0.370 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.659 -7.750 1.496 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.561 -8.092 -2.116 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.098 -9.038 -1.755 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.700 -9.808 -1.665 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.274 -6.609 0.006 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.630 -5.989 -0.277 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.355 -7.143 -1.421 1.00 16.46 H new ATOM 223 N THR A 14 0.414 -10.644 -0.071 1.00 9.39 N ATOM 224 CA THR A 14 1.793 -10.837 -0.465 1.00 9.63 C ATOM 225 C THR A 14 2.062 -10.099 -1.814 1.00 11.20 C ATOM 226 O THR A 14 1.521 -10.438 -2.882 1.00 11.63 O ATOM 227 CB THR A 14 2.203 -12.290 -0.596 1.00 10.38 C ATOM 228 OG1 THR A 14 1.915 -13.044 0.563 1.00 16.30 O ATOM 229 CG2 THR A 14 3.730 -12.370 -0.805 1.00 11.66 C ATOM 0 H THR A 14 -0.180 -11.356 -0.496 1.00 9.39 H new ATOM 0 HA THR A 14 2.398 -10.419 0.340 1.00 9.63 H new ATOM 0 HB THR A 14 1.642 -12.697 -1.437 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.196 -13.973 0.427 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.030 -13.414 -0.900 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.002 -11.830 -1.712 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.238 -11.923 0.049 1.00 11.66 H new ATOM 237 N LEU A 15 3.027 -9.153 -1.874 1.00 8.29 N ATOM 238 CA LEU A 15 3.330 -8.399 -3.065 1.00 9.03 C ATOM 239 C LEU A 15 4.773 -8.379 -3.594 1.00 8.59 C ATOM 240 O LEU A 15 5.741 -8.546 -2.858 1.00 7.79 O ATOM 241 CB LEU A 15 2.892 -6.878 -2.982 1.00 11.08 C ATOM 242 CG LEU A 15 1.427 -6.594 -2.629 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.126 -5.157 -2.382 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.476 -7.151 -3.718 1.00 15.27 C ATOM 0 H LEU A 15 3.612 -8.905 -1.076 1.00 8.29 H new ATOM 0 HA LEU A 15 2.737 -8.988 -3.765 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.521 -6.384 -2.241 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.106 -6.411 -3.943 1.00 11.08 H new ATOM 0 HG LEU A 15 1.255 -7.111 -1.685 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.070 -5.043 -2.139 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.731 -4.796 -1.550 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.357 -4.578 -3.276 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.557 -6.936 -3.443 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.703 -6.680 -4.674 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.612 -8.229 -3.803 1.00 15.27 H new ATOM 256 N GLU A 16 4.876 -8.142 -4.919 1.00 11.04 N ATOM 257 CA GLU A 16 6.140 -8.076 -5.638 1.00 11.50 C ATOM 258 C GLU A 16 6.349 -6.676 -6.268 1.00 10.13 C ATOM 259 O GLU A 16 5.488 -6.289 -7.095 1.00 9.83 O ATOM 260 CB GLU A 16 6.248 -9.155 -6.703 1.00 17.22 C ATOM 261 CG GLU A 16 7.690 -9.272 -7.356 1.00 23.33 C ATOM 262 CD GLU A 16 7.845 -10.525 -8.174 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.331 -10.606 -9.328 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.482 -11.513 -7.699 1.00 28.90 O ATOM 0 H GLU A 16 4.064 -7.991 -5.517 1.00 11.04 H new ATOM 0 HA GLU A 16 6.929 -8.253 -4.907 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.981 -10.115 -6.262 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.520 -8.951 -7.488 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.872 -8.403 -7.988 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.445 -9.258 -6.570 1.00 23.33 H new ATOM 271 N VAL A 17 7.457 -5.968 -5.891 1.00 8.99 N ATOM 272 CA VAL A 17 7.581 -4.601 -6.150 1.00 8.85 C ATOM 273 C VAL A 17 9.019 -4.325 -6.637 1.00 8.04 C ATOM 274 O VAL A 17 9.792 -5.281 -6.687 1.00 8.99 O ATOM 275 CB VAL A 17 7.249 -3.646 -4.940 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.660 -3.524 -4.727 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.995 -4.061 -3.657 1.00 10.54 C ATOM 0 H VAL A 17 8.255 -6.377 -5.405 1.00 8.99 H new ATOM 0 HA VAL A 17 6.830 -4.371 -6.906 1.00 8.85 H new ATOM 0 HB VAL A 17 7.615 -2.649 -5.187 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.455 -2.860 -3.887 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.202 -3.119 -5.629 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.244 -4.510 -4.520 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.737 -3.376 -2.849 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.706 -5.075 -3.380 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.070 -4.026 -3.834 1.00 10.54 H new ATOM 287 N GLU A 18 9.409 -3.021 -6.975 1.00 7.29 N ATOM 288 CA GLU A 18 10.767 -2.629 -7.008 1.00 7.08 C ATOM 289 C GLU A 18 10.763 -1.337 -6.224 1.00 6.45 C ATOM 290 O GLU A 18 9.655 -0.828 -5.982 1.00 5.28 O ATOM 291 CB GLU A 18 11.199 -2.305 -8.481 1.00 10.28 C ATOM 292 CG GLU A 18 10.967 -3.468 -9.404 1.00 12.65 C ATOM 293 CD GLU A 18 11.969 -4.634 -9.195 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.009 -4.469 -8.577 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.656 -5.686 -9.767 1.00 14.33 O ATOM 0 H GLU A 18 8.753 -2.278 -7.216 1.00 7.29 H new ATOM 0 HA GLU A 18 11.439 -3.395 -6.620 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.642 -1.440 -8.840 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.255 -2.034 -8.498 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.953 -3.840 -9.258 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.034 -3.122 -10.435 1.00 12.65 H new ATOM 302 N PRO A 19 11.822 -0.752 -5.681 1.00 7.24 N ATOM 303 CA PRO A 19 11.720 0.474 -4.858 1.00 7.07 C ATOM 304 C PRO A 19 11.247 1.753 -5.639 1.00 6.65 C ATOM 305 O PRO A 19 10.679 2.655 -4.992 1.00 6.37 O ATOM 306 CB PRO A 19 13.150 0.644 -4.212 1.00 7.61 C ATOM 307 CG PRO A 19 14.036 -0.254 -4.985 1.00 8.16 C ATOM 308 CD PRO A 19 13.131 -1.293 -5.690 1.00 7.49 C ATOM 0 HA PRO A 19 10.936 0.365 -4.109 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.489 1.678 -4.272 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.140 0.373 -3.156 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.614 0.311 -5.716 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.750 -0.749 -4.327 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.469 -1.475 -6.710 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.160 -2.250 -5.169 1.00 7.49 H new ATOM 316 N SER A 20 11.384 1.831 -6.957 1.00 6.80 N ATOM 317 CA SER A 20 10.981 3.048 -7.748 1.00 6.28 C ATOM 318 C SER A 20 9.521 3.150 -8.078 1.00 8.45 C ATOM 319 O SER A 20 9.034 4.166 -8.569 1.00 7.26 O ATOM 320 CB SER A 20 11.684 3.241 -9.076 1.00 8.57 C ATOM 321 OG SER A 20 13.087 3.317 -9.013 1.00 11.13 O ATOM 0 H SER A 20 11.770 1.078 -7.526 1.00 6.80 H new ATOM 0 HA SER A 20 11.283 3.814 -7.034 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.411 2.416 -9.735 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.308 4.155 -9.537 1.00 8.57 H new ATOM 0 HG SER A 20 13.449 3.440 -9.915 1.00 11.13 H new ATOM 327 N ASP A 21 8.749 2.051 -7.790 1.00 7.50 N ATOM 328 CA ASP A 21 7.357 2.014 -7.738 1.00 7.70 C ATOM 329 C ASP A 21 6.734 3.005 -6.659 1.00 7.08 C ATOM 330 O ASP A 21 7.229 3.116 -5.530 1.00 8.11 O ATOM 331 CB ASP A 21 6.852 0.630 -7.301 1.00 11.00 C ATOM 332 CG ASP A 21 7.019 -0.256 -8.495 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.262 -0.102 -9.497 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.933 -1.097 -8.522 1.00 18.03 O ATOM 0 H ASP A 21 9.167 1.143 -7.585 1.00 7.50 H new ATOM 0 HA ASP A 21 7.052 2.289 -8.748 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.423 0.255 -6.452 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.809 0.674 -6.989 1.00 11.00 H new ATOM 339 N THR A 22 5.579 3.638 -6.912 1.00 5.37 N ATOM 340 CA THR A 22 4.869 4.541 -6.040 1.00 6.01 C ATOM 341 C THR A 22 3.879 3.732 -5.235 1.00 8.01 C ATOM 342 O THR A 22 3.414 2.716 -5.654 1.00 8.11 O ATOM 343 CB THR A 22 4.131 5.652 -6.765 1.00 8.92 C ATOM 344 OG1 THR A 22 3.237 5.171 -7.802 1.00 10.22 O ATOM 345 CG2 THR A 22 5.151 6.649 -7.370 1.00 9.65 C ATOM 0 H THR A 22 5.094 3.512 -7.801 1.00 5.37 H new ATOM 0 HA THR A 22 5.612 5.033 -5.412 1.00 6.01 H new ATOM 0 HB THR A 22 3.506 6.149 -6.023 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.792 5.932 -8.229 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.617 7.445 -7.890 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.757 7.079 -6.572 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.797 6.126 -8.074 1.00 9.65 H new ATOM 353 N ILE A 23 3.408 4.328 -4.133 1.00 8.32 N ATOM 354 CA ILE A 23 2.298 3.879 -3.319 1.00 9.92 C ATOM 355 C ILE A 23 0.978 3.647 -4.171 1.00 10.01 C ATOM 356 O ILE A 23 0.226 2.733 -3.925 1.00 8.71 O ATOM 357 CB ILE A 23 2.074 4.867 -2.189 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.261 5.088 -1.149 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.830 4.550 -1.340 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.794 3.729 -0.528 1.00 12.30 C ATOM 0 H ILE A 23 3.824 5.187 -3.774 1.00 8.32 H new ATOM 0 HA ILE A 23 2.551 2.907 -2.897 1.00 9.92 H new ATOM 0 HB ILE A 23 1.967 5.781 -2.774 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.083 5.602 -1.647 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.918 5.740 -0.345 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.729 5.295 -0.551 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.057 4.569 -1.973 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.936 3.561 -0.894 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.601 3.941 0.173 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.982 3.225 -0.004 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.166 3.086 -1.326 1.00 12.30 H new ATOM 372 N GLU A 24 0.756 4.444 -5.216 1.00 9.54 N ATOM 373 CA GLU A 24 -0.335 4.159 -6.191 1.00 11.81 C ATOM 374 C GLU A 24 0.005 2.959 -7.136 1.00 11.14 C ATOM 375 O GLU A 24 -0.900 2.303 -7.570 1.00 10.62 O ATOM 376 CB GLU A 24 -0.608 5.456 -7.012 1.00 19.24 C ATOM 377 CG GLU A 24 -1.951 5.534 -7.748 1.00 27.76 C ATOM 378 CD GLU A 24 -1.897 6.684 -8.710 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.320 7.785 -8.321 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.548 6.445 -9.916 1.00 34.80 O ATOM 0 H GLU A 24 1.299 5.283 -5.421 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.228 3.863 -5.641 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.541 6.308 -6.335 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.190 5.568 -7.746 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.147 4.603 -8.280 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.766 5.672 -7.037 1.00 27.76 H new ATOM 387 N ASN A 25 1.291 2.642 -7.333 1.00 9.43 N ATOM 388 CA ASN A 25 1.597 1.340 -7.950 1.00 10.96 C ATOM 389 C ASN A 25 1.223 0.127 -7.059 1.00 9.68 C ATOM 390 O ASN A 25 0.819 -0.926 -7.491 1.00 9.33 O ATOM 391 CB ASN A 25 3.057 1.154 -8.579 1.00 16.78 C ATOM 392 CG ASN A 25 3.364 2.209 -9.688 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.464 2.765 -10.371 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.654 2.314 -9.989 1.00 24.70 N ATOM 0 H ASN A 25 2.093 3.225 -7.093 1.00 9.43 H new ATOM 0 HA ASN A 25 0.931 1.361 -8.813 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.803 1.234 -7.789 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.144 0.152 -9.000 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.946 2.861 -10.799 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.352 1.848 -9.410 1.00 24.70 H new ATOM 401 N VAL A 26 1.353 0.258 -5.681 1.00 6.52 N ATOM 402 CA VAL A 26 0.992 -0.774 -4.722 1.00 5.53 C ATOM 403 C VAL A 26 -0.512 -1.132 -4.774 1.00 4.42 C ATOM 404 O VAL A 26 -0.974 -2.260 -4.642 1.00 3.40 O ATOM 405 CB VAL A 26 1.369 -0.436 -3.300 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.108 -1.669 -2.354 1.00 7.25 C ATOM 407 CG2 VAL A 26 2.880 -0.197 -3.313 1.00 8.12 C ATOM 0 H VAL A 26 1.717 1.103 -5.242 1.00 6.52 H new ATOM 0 HA VAL A 26 1.577 -1.641 -5.029 1.00 5.53 H new ATOM 0 HB VAL A 26 0.793 0.420 -2.947 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.385 -1.409 -1.332 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.052 -1.936 -2.387 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.707 -2.517 -2.688 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.217 0.053 -2.307 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.388 -1.100 -3.652 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.112 0.626 -3.989 1.00 8.12 H new ATOM 417 N LYS A 27 -1.381 -0.101 -4.917 1.00 2.64 N ATOM 418 CA LYS A 27 -2.831 -0.184 -5.106 1.00 4.14 C ATOM 419 C LYS A 27 -3.364 -0.826 -6.372 1.00 5.58 C ATOM 420 O LYS A 27 -4.424 -1.438 -6.351 1.00 4.11 O ATOM 421 CB LYS A 27 -3.526 1.235 -5.036 1.00 3.97 C ATOM 422 CG LYS A 27 -3.177 2.033 -3.732 1.00 7.45 C ATOM 423 CD LYS A 27 -3.915 3.395 -3.626 1.00 9.02 C ATOM 424 CE LYS A 27 -3.337 4.370 -2.624 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.176 5.498 -2.498 1.00 15.47 N ATOM 0 H LYS A 27 -1.057 0.866 -4.901 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.080 -0.848 -4.278 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.226 1.822 -5.904 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.607 1.106 -5.096 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.428 1.424 -2.864 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.102 2.207 -3.699 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.914 3.867 -4.609 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.956 3.206 -3.364 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.224 3.883 -1.656 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.342 4.682 -2.942 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.666 6.256 -2.001 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.455 5.830 -3.443 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.026 5.240 -1.957 1.00 15.47 H new ATOM 439 N ALA A 28 -2.604 -0.662 -7.445 1.00 6.61 N ATOM 440 CA ALA A 28 -2.768 -1.470 -8.631 1.00 7.74 C ATOM 441 C ALA A 28 -2.469 -2.937 -8.402 1.00 9.17 C ATOM 442 O ALA A 28 -3.282 -3.794 -8.805 1.00 11.45 O ATOM 443 CB ALA A 28 -1.783 -0.873 -9.697 1.00 7.68 C ATOM 0 H ALA A 28 -1.861 0.034 -7.512 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.808 -1.438 -8.956 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.859 -1.443 -10.623 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.043 0.168 -9.890 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.762 -0.928 -9.320 1.00 7.68 H new ATOM 449 N LYS A 29 -1.365 -3.285 -7.748 1.00 8.96 N ATOM 450 CA LYS A 29 -1.190 -4.642 -7.272 1.00 7.90 C ATOM 451 C LYS A 29 -2.214 -5.210 -6.275 1.00 6.92 C ATOM 452 O LYS A 29 -2.615 -6.341 -6.347 1.00 6.87 O ATOM 453 CB LYS A 29 0.273 -4.692 -6.737 1.00 10.28 C ATOM 454 CG LYS A 29 1.215 -4.446 -7.877 1.00 14.94 C ATOM 455 CD LYS A 29 2.658 -4.542 -7.539 1.00 19.69 C ATOM 456 CE LYS A 29 3.535 -4.211 -8.704 1.00 22.63 C ATOM 457 NZ LYS A 29 3.259 -5.040 -9.890 1.00 24.98 N ATOM 0 H LYS A 29 -0.592 -2.653 -7.541 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.381 -5.316 -8.107 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.416 -3.941 -5.961 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.476 -5.662 -6.283 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.996 -5.162 -8.669 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.019 -3.453 -8.281 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.882 -3.865 -6.714 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.882 -5.551 -7.193 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.403 -3.161 -8.964 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.578 -4.339 -8.414 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.019 -4.911 -10.588 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.211 -6.041 -9.611 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.351 -4.754 -10.310 1.00 24.98 H new ATOM 471 N ILE A 30 -2.696 -4.428 -5.281 1.00 4.57 N ATOM 472 CA ILE A 30 -3.848 -4.775 -4.406 1.00 5.58 C ATOM 473 C ILE A 30 -5.107 -4.993 -5.218 1.00 7.26 C ATOM 474 O ILE A 30 -5.812 -5.940 -5.016 1.00 9.46 O ATOM 475 CB ILE A 30 -4.048 -3.759 -3.280 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.842 -3.812 -2.338 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.300 -4.005 -2.421 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.775 -2.637 -1.456 1.00 2.00 C ATOM 0 H ILE A 30 -2.289 -3.520 -5.058 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.612 -5.721 -3.918 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.165 -2.793 -3.772 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.896 -4.717 -1.732 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.926 -3.876 -2.926 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.366 -3.240 -1.647 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.188 -3.961 -3.051 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.234 -4.988 -1.955 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.904 -2.719 -0.806 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.694 -1.733 -2.060 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.678 -2.587 -0.848 1.00 2.00 H new ATOM 490 N GLN A 31 -5.407 -4.135 -6.235 1.00 7.06 N ATOM 491 CA GLN A 31 -6.486 -4.345 -7.169 1.00 8.67 C ATOM 492 C GLN A 31 -6.407 -5.636 -7.930 1.00 10.90 C ATOM 493 O GLN A 31 -7.374 -6.399 -8.040 1.00 9.63 O ATOM 494 CB GLN A 31 -6.567 -3.218 -8.279 1.00 9.12 C ATOM 495 CG GLN A 31 -7.861 -3.360 -9.148 1.00 10.76 C ATOM 496 CD GLN A 31 -8.113 -2.153 -10.055 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.146 -1.481 -10.002 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.106 -1.895 -10.921 1.00 14.76 N ATOM 0 H GLN A 31 -4.884 -3.277 -6.407 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.359 -4.341 -6.516 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.552 -2.237 -7.804 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.688 -3.275 -8.921 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.782 -4.257 -9.762 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.719 -3.498 -8.490 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.272 -2.483 -10.923 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.181 -1.113 -11.571 1.00 14.76 H new ATOM 507 N ASP A 32 -5.140 -6.015 -8.328 1.00 10.93 N ATOM 508 CA ASP A 32 -4.884 -7.381 -8.867 1.00 14.01 C ATOM 509 C ASP A 32 -5.318 -8.484 -7.904 1.00 14.04 C ATOM 510 O ASP A 32 -6.008 -9.464 -8.300 1.00 13.39 O ATOM 511 CB ASP A 32 -3.401 -7.706 -9.309 1.00 18.01 C ATOM 512 CG ASP A 32 -2.943 -6.958 -10.530 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.823 -6.358 -11.209 1.00 25.17 O ATOM 514 OD2 ASP A 32 -1.703 -6.991 -10.840 1.00 26.29 O ATOM 0 H ASP A 32 -4.319 -5.412 -8.284 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.495 -7.367 -9.770 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.729 -7.476 -8.482 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.317 -8.776 -9.500 1.00 18.01 H new ATOM 519 N LYS A 33 -4.971 -8.373 -6.689 1.00 14.22 N ATOM 520 CA LYS A 33 -5.084 -9.430 -5.671 1.00 14.00 C ATOM 521 C LYS A 33 -6.471 -9.610 -5.066 1.00 12.37 C ATOM 522 O LYS A 33 -7.077 -10.687 -5.056 1.00 12.17 O ATOM 523 CB LYS A 33 -4.143 -9.193 -4.523 1.00 18.62 C ATOM 524 CG LYS A 33 -2.657 -9.158 -5.075 1.00 24.00 C ATOM 525 CD LYS A 33 -1.857 -10.443 -5.025 1.00 27.61 C ATOM 526 CE LYS A 33 -0.456 -10.337 -5.630 1.00 27.64 C ATOM 527 NZ LYS A 33 0.185 -11.685 -5.550 1.00 30.06 N ATOM 0 H LYS A 33 -4.574 -7.510 -6.317 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.837 -10.333 -6.230 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.383 -8.253 -4.027 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.250 -9.982 -3.779 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.692 -8.825 -6.112 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.109 -8.400 -4.515 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.768 -10.762 -3.986 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.409 -11.222 -5.551 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.513 -10.003 -6.666 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.138 -9.600 -5.089 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.732 -11.861 -6.417 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.819 -11.719 -4.727 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.550 -12.414 -5.451 1.00 30.06 H new ATOM 541 N GLU A 34 -7.130 -8.473 -4.654 1.00 10.11 N ATOM 542 CA GLU A 34 -8.290 -8.430 -3.801 1.00 10.07 C ATOM 543 C GLU A 34 -9.425 -7.592 -4.462 1.00 9.32 C ATOM 544 O GLU A 34 -10.504 -7.393 -3.856 1.00 11.61 O ATOM 545 CB GLU A 34 -7.915 -7.716 -2.422 1.00 14.77 C ATOM 546 CG GLU A 34 -6.872 -8.544 -1.624 1.00 18.75 C ATOM 547 CD GLU A 34 -7.298 -9.964 -1.312 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.476 -10.159 -0.920 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.393 -10.863 -1.379 1.00 21.95 O ATOM 0 H GLU A 34 -6.824 -7.543 -4.940 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.624 -9.454 -3.637 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.517 -6.721 -2.622 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.815 -7.585 -1.821 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.941 -8.574 -2.191 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.658 -8.029 -0.687 1.00 18.75 H new ATOM 556 N GLY A 35 -9.211 -7.049 -5.675 1.00 7.22 N ATOM 557 CA GLY A 35 -10.306 -6.403 -6.415 1.00 6.29 C ATOM 558 C GLY A 35 -10.702 -5.015 -5.957 1.00 6.93 C ATOM 559 O GLY A 35 -11.636 -4.507 -6.574 1.00 7.41 O ATOM 0 H GLY A 35 -8.310 -7.045 -6.153 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.022 -6.348 -7.466 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.184 -7.046 -6.355 1.00 6.29 H new ATOM 563 N ILE A 36 -10.049 -4.391 -4.987 1.00 5.86 N ATOM 564 CA ILE A 36 -10.538 -3.085 -4.555 1.00 6.07 C ATOM 565 C ILE A 36 -10.026 -2.033 -5.556 1.00 6.36 C ATOM 566 O ILE A 36 -8.825 -2.034 -5.906 1.00 6.18 O ATOM 567 CB ILE A 36 -10.062 -2.740 -3.152 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.245 -3.884 -2.064 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.662 -1.435 -2.647 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.873 -4.068 -1.252 1.00 9.49 C ATOM 0 H ILE A 36 -9.222 -4.742 -4.504 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.628 -3.102 -4.529 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.985 -2.623 -3.275 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.054 -3.626 -1.380 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.523 -4.820 -2.547 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.293 -1.230 -1.642 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.374 -0.621 -3.312 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.749 -1.519 -2.625 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.995 -4.852 -0.505 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.076 -4.345 -1.942 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.615 -3.132 -0.757 1.00 9.49 H new ATOM 582 N PRO A 37 -10.735 -1.013 -5.998 1.00 8.65 N ATOM 583 CA PRO A 37 -10.186 0.175 -6.792 1.00 9.18 C ATOM 584 C PRO A 37 -9.048 0.948 -6.116 1.00 9.85 C ATOM 585 O PRO A 37 -9.207 1.021 -4.909 1.00 8.51 O ATOM 586 CB PRO A 37 -11.441 1.066 -6.994 1.00 11.42 C ATOM 587 CG PRO A 37 -12.647 0.099 -6.948 1.00 9.27 C ATOM 588 CD PRO A 37 -12.200 -0.838 -5.850 1.00 8.33 C ATOM 0 HA PRO A 37 -9.714 -0.161 -7.715 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.515 1.823 -6.213 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.398 1.594 -7.946 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.579 0.609 -6.705 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.803 -0.416 -7.896 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.442 -0.427 -4.870 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.713 -1.797 -5.929 1.00 8.33 H new ATOM 596 N PRO A 38 -8.065 1.476 -6.739 1.00 8.71 N ATOM 597 CA PRO A 38 -7.130 2.430 -6.153 1.00 9.08 C ATOM 598 C PRO A 38 -7.733 3.539 -5.333 1.00 9.28 C ATOM 599 O PRO A 38 -7.151 3.869 -4.301 1.00 6.50 O ATOM 600 CB PRO A 38 -6.254 2.875 -7.254 1.00 10.31 C ATOM 601 CG PRO A 38 -6.265 1.716 -8.286 1.00 10.81 C ATOM 602 CD PRO A 38 -7.581 0.987 -8.005 1.00 12.00 C ATOM 0 HA PRO A 38 -6.551 1.934 -5.374 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.621 3.800 -7.699 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.243 3.073 -6.896 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.226 2.091 -9.309 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.407 1.057 -8.156 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.306 1.179 -8.796 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.426 -0.091 -7.969 1.00 12.00 H new ATOM 610 N ASP A 39 -8.809 4.157 -5.799 1.00 11.20 N ATOM 611 CA ASP A 39 -9.328 5.310 -5.184 1.00 14.96 C ATOM 612 C ASP A 39 -10.010 5.014 -3.814 1.00 13.99 C ATOM 613 O ASP A 39 -10.160 5.842 -2.915 1.00 13.75 O ATOM 614 CB ASP A 39 -10.367 6.038 -6.062 1.00 24.16 C ATOM 615 CG ASP A 39 -9.833 6.286 -7.477 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.613 6.654 -7.661 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.562 5.989 -8.452 1.00 35.55 O ATOM 0 H ASP A 39 -9.329 3.849 -6.620 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.454 5.944 -5.034 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.279 5.444 -6.115 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.632 6.989 -5.600 1.00 24.16 H new ATOM 622 N GLN A 40 -10.405 3.759 -3.507 1.00 11.60 N ATOM 623 CA GLN A 40 -11.015 3.332 -2.297 1.00 10.76 C ATOM 624 C GLN A 40 -9.902 2.817 -1.255 1.00 8.01 C ATOM 625 O GLN A 40 -10.225 2.308 -0.209 1.00 8.96 O ATOM 626 CB GLN A 40 -11.950 2.186 -2.416 1.00 11.14 C ATOM 627 CG GLN A 40 -13.208 2.571 -3.320 1.00 14.85 C ATOM 628 CD GLN A 40 -14.072 1.305 -3.618 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.950 0.290 -2.961 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.966 1.450 -4.622 1.00 18.16 N ATOM 0 H GLN A 40 -10.283 2.989 -4.165 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.564 4.218 -1.979 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.432 1.332 -2.852 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.288 1.882 -1.425 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.814 3.321 -2.811 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.869 3.016 -4.255 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.018 2.330 -5.136 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.588 0.680 -4.866 1.00 18.16 H new ATOM 639 N GLN A 41 -8.612 3.033 -1.491 1.00 6.52 N ATOM 640 CA GLN A 41 -7.534 2.528 -0.642 1.00 3.87 C ATOM 641 C GLN A 41 -6.646 3.651 -0.123 1.00 4.79 C ATOM 642 O GLN A 41 -6.178 4.507 -0.844 1.00 6.34 O ATOM 643 CB GLN A 41 -6.623 1.630 -1.508 1.00 4.20 C ATOM 644 CG GLN A 41 -7.272 0.280 -2.047 1.00 3.20 C ATOM 645 CD GLN A 41 -6.364 -0.323 -3.086 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.171 -0.413 -2.816 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.837 -0.660 -4.288 1.00 7.13 N ATOM 0 H GLN A 41 -8.279 3.572 -2.290 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.990 2.002 0.197 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.283 2.212 -2.364 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.738 1.375 -0.924 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.420 -0.420 -1.225 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.254 0.480 -2.476 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.834 -0.575 -4.486 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.201 -1.002 -5.009 1.00 7.13 H new ATOM 656 N ARG A 42 -6.321 3.622 1.188 1.00 5.73 N ATOM 657 CA ARG A 42 -5.478 4.563 1.836 1.00 6.97 C ATOM 658 C ARG A 42 -4.432 3.772 2.618 1.00 7.15 C ATOM 659 O ARG A 42 -4.613 2.796 3.361 1.00 7.33 O ATOM 660 CB ARG A 42 -6.250 5.432 2.810 1.00 13.23 C ATOM 661 CG ARG A 42 -6.891 6.668 2.185 1.00 21.27 C ATOM 662 CD ARG A 42 -7.137 7.720 3.296 1.00 26.14 C ATOM 663 NE ARG A 42 -7.574 8.942 2.640 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.258 9.930 3.197 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.792 9.909 4.422 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.442 11.059 2.523 1.00 36.39 N ATOM 0 H ARG A 42 -6.669 2.901 1.820 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.030 5.215 1.087 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.030 4.830 3.275 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.576 5.751 3.606 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.242 7.080 1.413 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.831 6.402 1.702 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.893 7.369 3.998 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.226 7.895 3.869 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.330 9.049 1.655 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.687 9.082 5.010 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.304 10.720 4.769 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.058 11.161 1.584 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.968 11.825 2.945 1.00 36.39 H new ATOM 680 N LEU A 43 -3.167 4.105 2.270 1.00 4.65 N ATOM 681 CA LEU A 43 -2.000 3.362 2.707 1.00 3.51 C ATOM 682 C LEU A 43 -1.241 3.925 3.958 1.00 5.56 C ATOM 683 O LEU A 43 -1.122 5.163 4.217 1.00 4.19 O ATOM 684 CB LEU A 43 -1.109 3.083 1.491 1.00 3.74 C ATOM 685 CG LEU A 43 -1.719 2.054 0.623 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.958 1.833 -0.656 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.875 0.654 1.271 1.00 6.41 C ATOM 0 H LEU A 43 -2.945 4.903 1.675 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.358 2.416 3.114 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.960 4.002 0.924 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.126 2.750 1.823 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.705 2.480 0.436 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.457 1.066 -1.248 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.922 2.763 -1.223 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.057 1.509 -0.424 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.332 -0.029 0.555 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.894 0.275 1.560 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.509 0.731 2.154 1.00 6.41 H new ATOM 699 N ILE A 44 -0.767 2.979 4.723 1.00 4.58 N ATOM 700 CA ILE A 44 -0.297 3.161 6.071 1.00 5.55 C ATOM 701 C ILE A 44 1.002 2.321 6.216 1.00 5.46 C ATOM 702 O ILE A 44 1.127 1.203 5.793 1.00 6.04 O ATOM 703 CB ILE A 44 -1.290 2.760 7.150 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.698 3.360 6.947 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.687 3.069 8.594 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.801 4.899 7.081 1.00 13.90 C ATOM 0 H ILE A 44 -0.694 2.012 4.408 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.132 4.228 6.224 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.442 1.684 7.069 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.054 3.076 5.957 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.374 2.905 7.671 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.407 2.778 9.359 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.236 2.506 8.731 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.477 4.135 8.680 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.833 5.210 6.919 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.484 5.199 8.080 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.159 5.373 6.338 1.00 13.90 H new ATOM 718 N PHE A 45 1.990 2.839 6.944 1.00 6.75 N ATOM 719 CA PHE A 45 3.221 2.089 7.294 1.00 4.70 C ATOM 720 C PHE A 45 3.610 2.521 8.726 1.00 6.34 C ATOM 721 O PHE A 45 3.800 3.703 9.025 1.00 5.45 O ATOM 722 CB PHE A 45 4.336 2.382 6.264 1.00 5.51 C ATOM 723 CG PHE A 45 5.630 1.743 6.458 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.654 0.369 6.575 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.799 2.570 6.488 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.858 -0.242 6.734 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.053 1.922 6.695 1.00 6.64 C ATOM 728 CZ PHE A 45 8.071 0.512 6.746 1.00 6.84 C ATOM 0 H PHE A 45 1.971 3.790 7.313 1.00 6.75 H new ATOM 0 HA PHE A 45 3.063 1.011 7.267 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.966 2.095 5.280 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.496 3.460 6.242 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.741 -0.206 6.541 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.734 3.640 6.359 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.898 -1.315 6.853 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.962 2.494 6.809 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.018 -0.006 6.795 1.00 6.84 H new ATOM 738 N ALA A 46 3.631 1.549 9.676 1.00 6.53 N ATOM 739 CA ALA A 46 4.034 1.624 11.126 1.00 7.15 C ATOM 740 C ALA A 46 3.518 2.795 11.872 1.00 9.00 C ATOM 741 O ALA A 46 4.280 3.621 12.381 1.00 11.15 O ATOM 742 CB ALA A 46 5.531 1.556 11.186 1.00 8.99 C ATOM 0 H ALA A 46 3.341 0.601 9.435 1.00 6.53 H new ATOM 0 HA ALA A 46 3.570 0.779 11.635 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.856 1.608 12.225 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.871 0.618 10.746 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.956 2.392 10.631 1.00 8.99 H new ATOM 748 N GLY A 47 2.240 3.023 11.760 1.00 9.35 N ATOM 749 CA GLY A 47 1.598 4.206 12.470 1.00 11.68 C ATOM 750 C GLY A 47 1.647 5.529 11.689 1.00 11.14 C ATOM 751 O GLY A 47 1.203 6.575 12.171 1.00 13.93 O ATOM 0 H GLY A 47 1.598 2.451 11.212 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.557 3.963 12.682 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.094 4.348 13.430 1.00 11.68 H new ATOM 755 N LYS A 48 2.152 5.540 10.484 1.00 10.47 N ATOM 756 CA LYS A 48 2.328 6.658 9.617 1.00 8.82 C ATOM 757 C LYS A 48 1.526 6.473 8.288 1.00 7.68 C ATOM 758 O LYS A 48 1.612 5.446 7.644 1.00 6.47 O ATOM 759 CB LYS A 48 3.822 6.905 9.227 1.00 9.74 C ATOM 760 CG LYS A 48 4.313 8.160 8.516 1.00 14.14 C ATOM 761 CD LYS A 48 5.729 8.051 7.833 1.00 16.32 C ATOM 762 CE LYS A 48 6.078 9.252 6.926 1.00 20.04 C ATOM 763 NZ LYS A 48 7.553 9.504 6.906 1.00 23.92 N ATOM 0 H LYS A 48 2.480 4.677 10.050 1.00 10.47 H new ATOM 0 HA LYS A 48 1.961 7.515 10.182 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.395 6.833 10.151 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.118 6.063 8.601 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.583 8.432 7.754 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.340 8.977 9.238 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.490 7.960 8.608 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.767 7.137 7.240 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.725 9.060 5.913 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.559 10.142 7.281 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.758 10.316 6.289 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.883 9.710 7.870 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.044 8.662 6.544 1.00 23.92 H new ATOM 777 N GLN A 49 0.750 7.551 7.991 1.00 8.89 N ATOM 778 CA GLN A 49 0.083 7.709 6.695 1.00 7.18 C ATOM 779 C GLN A 49 1.054 7.799 5.542 1.00 8.23 C ATOM 780 O GLN A 49 2.045 8.550 5.645 1.00 9.70 O ATOM 781 CB GLN A 49 -0.887 8.970 6.640 1.00 11.67 C ATOM 782 CG GLN A 49 -2.135 8.850 7.543 1.00 15.82 C ATOM 783 CD GLN A 49 -2.934 10.150 7.419 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.083 10.743 6.339 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.514 10.560 8.556 1.00 20.67 N ATOM 0 H GLN A 49 0.579 8.318 8.642 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.513 6.802 6.590 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.326 9.858 6.931 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.211 9.120 5.610 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.744 7.998 7.241 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.841 8.680 8.579 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.363 10.041 9.421 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.106 11.391 8.556 1.00 20.67 H new ATOM 794 N LEU A 50 0.786 7.239 4.349 1.00 6.51 N ATOM 795 CA LEU A 50 1.638 7.296 3.133 1.00 7.41 C ATOM 796 C LEU A 50 0.937 8.034 1.930 1.00 8.27 C ATOM 797 O LEU A 50 -0.153 7.680 1.519 1.00 8.34 O ATOM 798 CB LEU A 50 2.112 5.955 2.663 1.00 7.13 C ATOM 799 CG LEU A 50 2.884 5.065 3.712 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.509 3.852 3.025 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.035 5.838 4.405 1.00 9.11 C ATOM 0 H LEU A 50 -0.070 6.707 4.192 1.00 6.51 H new ATOM 0 HA LEU A 50 2.506 7.872 3.453 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.247 5.393 2.312 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.763 6.107 1.802 1.00 7.13 H new ATOM 0 HG LEU A 50 2.146 4.765 4.456 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.038 3.248 3.763 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.726 3.253 2.561 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.210 4.188 2.261 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.536 5.183 5.118 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.751 6.173 3.655 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.628 6.702 4.930 1.00 9.11 H new ATOM 813 N GLU A 51 1.662 8.980 1.320 1.00 9.43 N ATOM 814 CA GLU A 51 1.291 9.669 0.118 1.00 11.90 C ATOM 815 C GLU A 51 1.340 8.805 -1.097 1.00 11.49 C ATOM 816 O GLU A 51 2.284 8.024 -1.299 1.00 9.88 O ATOM 817 CB GLU A 51 2.238 10.851 -0.079 1.00 16.56 C ATOM 818 CG GLU A 51 2.128 11.872 1.062 1.00 26.06 C ATOM 819 CD GLU A 51 2.970 13.190 0.797 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.620 13.908 -0.165 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.788 13.543 1.722 1.00 33.44 O ATOM 0 H GLU A 51 2.564 9.287 1.684 1.00 9.43 H new ATOM 0 HA GLU A 51 0.257 9.993 0.238 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.264 10.487 -0.142 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.014 11.341 -1.027 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.081 12.139 1.204 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.468 11.411 1.989 1.00 26.06 H new ATOM 828 N ASP A 52 0.270 8.969 -1.936 1.00 12.71 N ATOM 829 CA ASP A 52 -0.055 8.083 -3.037 1.00 16.56 C ATOM 830 C ASP A 52 0.999 8.214 -4.175 1.00 15.83 C ATOM 831 O ASP A 52 1.355 7.220 -4.808 1.00 17.21 O ATOM 832 CB ASP A 52 -1.482 8.416 -3.685 1.00 21.05 C ATOM 833 CG ASP A 52 -2.556 8.540 -2.574 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.732 7.615 -1.755 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.270 9.576 -2.590 1.00 25.82 O ATOM 0 H ASP A 52 -0.386 9.744 -1.841 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.067 7.077 -2.618 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.425 9.345 -4.252 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.763 7.631 -4.387 1.00 21.05 H new ATOM 840 N GLY A 53 1.516 9.439 -4.435 1.00 15.00 N ATOM 841 CA GLY A 53 2.455 9.690 -5.517 1.00 11.77 C ATOM 842 C GLY A 53 3.946 9.554 -5.049 1.00 11.10 C ATOM 843 O GLY A 53 4.928 9.782 -5.815 1.00 11.25 O ATOM 0 H GLY A 53 1.284 10.270 -3.892 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.266 8.989 -6.330 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.290 10.692 -5.914 1.00 11.77 H new ATOM 847 N ARG A 54 4.199 9.134 -3.800 1.00 8.53 N ATOM 848 CA ARG A 54 5.545 9.010 -3.286 1.00 9.05 C ATOM 849 C ARG A 54 5.948 7.601 -3.568 1.00 8.96 C ATOM 850 O ARG A 54 5.255 6.592 -3.435 1.00 11.60 O ATOM 851 CB ARG A 54 5.637 9.450 -1.787 1.00 7.97 C ATOM 852 CG ARG A 54 5.834 10.872 -1.397 1.00 9.62 C ATOM 853 CD ARG A 54 7.235 11.517 -1.534 1.00 12.20 C ATOM 854 NE ARG A 54 7.005 12.982 -1.139 1.00 18.23 N ATOM 855 CZ ARG A 54 7.664 13.585 -0.162 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.691 13.022 0.510 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.096 14.731 0.275 1.00 23.38 N ATOM 0 H ARG A 54 3.472 8.876 -3.133 1.00 8.53 H new ATOM 0 HA ARG A 54 6.250 9.686 -3.770 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.719 9.115 -1.303 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.456 8.885 -1.342 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.140 11.471 -1.987 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.531 10.969 -0.354 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.962 11.036 -0.880 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.616 11.432 -2.552 1.00 12.20 H new ATOM 0 HE ARG A 54 6.308 13.519 -1.656 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.999 12.079 0.274 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.159 13.540 1.254 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.229 15.063 -0.146 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.535 15.264 1.026 1.00 23.38 H new ATOM 871 N THR A 55 7.225 7.404 -4.037 1.00 9.05 N ATOM 872 CA THR A 55 7.935 6.122 -4.151 1.00 9.03 C ATOM 873 C THR A 55 8.138 5.379 -2.858 1.00 8.15 C ATOM 874 O THR A 55 8.253 5.982 -1.808 1.00 5.91 O ATOM 875 CB THR A 55 9.199 6.187 -4.989 1.00 11.15 C ATOM 876 OG1 THR A 55 10.055 7.222 -4.563 1.00 11.95 O ATOM 877 CG2 THR A 55 8.861 6.555 -6.430 1.00 11.71 C ATOM 0 H THR A 55 7.797 8.186 -4.356 1.00 9.05 H new ATOM 0 HA THR A 55 7.229 5.508 -4.711 1.00 9.03 H new ATOM 0 HB THR A 55 9.668 5.208 -4.894 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.958 6.865 -4.428 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.777 6.598 -7.019 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.194 5.803 -6.851 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.370 7.528 -6.451 1.00 11.71 H new ATOM 885 N LEU A 56 8.237 4.007 -2.866 1.00 6.91 N ATOM 886 CA LEU A 56 8.680 3.161 -1.800 1.00 8.29 C ATOM 887 C LEU A 56 10.083 3.465 -1.379 1.00 8.05 C ATOM 888 O LEU A 56 10.479 3.382 -0.203 1.00 10.17 O ATOM 889 CB LEU A 56 8.553 1.645 -2.267 1.00 6.60 C ATOM 890 CG LEU A 56 7.029 1.239 -2.542 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.928 -0.036 -3.381 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.402 1.087 -1.137 1.00 8.64 C ATOM 0 H LEU A 56 7.982 3.467 -3.693 1.00 6.91 H new ATOM 0 HA LEU A 56 8.049 3.343 -0.930 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.140 1.492 -3.173 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.972 0.992 -1.502 1.00 6.60 H new ATOM 0 HG LEU A 56 6.498 1.988 -3.130 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.879 -0.280 -3.547 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.421 0.120 -4.341 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.413 -0.858 -2.854 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.353 0.808 -1.235 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.933 0.313 -0.583 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.478 2.033 -0.601 1.00 8.64 H new ATOM 904 N SER A 57 10.949 3.814 -2.357 1.00 8.92 N ATOM 905 CA SER A 57 12.265 4.355 -2.154 1.00 9.00 C ATOM 906 C SER A 57 12.259 5.652 -1.331 1.00 9.44 C ATOM 907 O SER A 57 13.076 5.870 -0.466 1.00 10.91 O ATOM 908 CB SER A 57 13.050 4.732 -3.418 1.00 10.32 C ATOM 909 OG SER A 57 12.317 5.631 -4.281 1.00 13.59 O ATOM 0 H SER A 57 10.716 3.712 -3.345 1.00 8.92 H new ATOM 0 HA SER A 57 12.745 3.516 -1.650 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.992 5.198 -3.130 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.298 3.826 -3.971 1.00 10.32 H new ATOM 0 HG SER A 57 12.859 5.842 -5.070 1.00 13.59 H new ATOM 915 N ASP A 58 11.264 6.553 -1.491 1.00 9.11 N ATOM 916 CA ASP A 58 11.035 7.687 -0.581 1.00 7.91 C ATOM 917 C ASP A 58 10.789 7.340 0.900 1.00 9.12 C ATOM 918 O ASP A 58 11.295 8.024 1.782 1.00 8.61 O ATOM 919 CB ASP A 58 9.842 8.525 -1.138 1.00 8.41 C ATOM 920 CG ASP A 58 10.085 10.000 -1.031 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.098 10.636 0.050 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.481 10.675 -2.064 1.00 10.05 O ATOM 0 H ASP A 58 10.596 6.510 -2.261 1.00 9.11 H new ATOM 0 HA ASP A 58 11.971 8.246 -0.564 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.672 8.262 -2.182 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.934 8.268 -0.592 1.00 8.41 H new ATOM 927 N TYR A 59 10.059 6.251 1.243 1.00 7.97 N ATOM 928 CA TYR A 59 9.840 5.839 2.591 1.00 8.45 C ATOM 929 C TYR A 59 10.793 4.816 3.110 1.00 10.98 C ATOM 930 O TYR A 59 10.677 4.355 4.256 1.00 12.95 O ATOM 931 CB TYR A 59 8.382 5.304 2.776 1.00 7.94 C ATOM 932 CG TYR A 59 7.379 6.326 2.485 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.451 7.571 3.100 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.389 6.134 1.481 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.413 8.491 2.925 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.512 7.176 1.118 1.00 6.52 C ATOM 937 CZ TYR A 59 5.484 8.352 1.911 1.00 6.76 C ATOM 938 OH TYR A 59 4.648 9.408 1.622 1.00 7.63 O ATOM 0 H TYR A 59 9.611 5.645 0.555 1.00 7.97 H new ATOM 0 HA TYR A 59 10.011 6.743 3.176 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.225 4.447 2.121 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.253 4.951 3.799 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.305 7.826 3.710 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.308 5.176 0.990 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.335 9.331 3.599 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.873 7.081 0.252 1.00 6.52 H new ATOM 0 HH TYR A 59 5.103 10.251 1.828 1.00 7.63 H new ATOM 948 N ASN A 60 11.831 4.497 2.312 1.00 12.38 N ATOM 949 CA ASN A 60 13.031 3.730 2.700 1.00 13.94 C ATOM 950 C ASN A 60 12.685 2.318 3.157 1.00 14.16 C ATOM 951 O ASN A 60 13.305 1.800 4.083 1.00 14.26 O ATOM 952 CB ASN A 60 13.803 4.495 3.860 1.00 19.23 C ATOM 953 CG ASN A 60 14.160 5.900 3.435 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.882 6.881 4.146 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.756 6.112 2.231 1.00 24.09 N ATOM 0 H ASN A 60 11.857 4.781 1.333 1.00 12.38 H new ATOM 0 HA ASN A 60 13.668 3.645 1.819 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.182 4.528 4.755 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.709 3.948 4.121 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.967 7.062 1.927 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.992 5.321 1.633 1.00 24.09 H new ATOM 962 N ILE A 61 11.677 1.644 2.507 1.00 11.08 N ATOM 963 CA ILE A 61 11.031 0.404 2.893 1.00 11.78 C ATOM 964 C ILE A 61 11.875 -0.801 2.511 1.00 13.74 C ATOM 965 O ILE A 61 12.263 -1.023 1.369 1.00 14.60 O ATOM 966 CB ILE A 61 9.627 0.264 2.313 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.764 1.403 2.864 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.087 -1.130 2.615 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.431 1.542 2.096 1.00 11.42 C ATOM 0 H ILE A 61 11.288 2.008 1.637 1.00 11.08 H new ATOM 0 HA ILE A 61 10.934 0.440 3.978 1.00 11.78 H new ATOM 0 HB ILE A 61 9.624 0.355 1.227 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.558 1.224 3.919 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.318 2.340 2.802 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.084 -1.229 2.200 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.741 -1.878 2.167 1.00 13.29 H new ATOM 0 HG23 ILE A 61 9.050 -1.280 3.694 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.851 2.361 2.520 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.636 1.748 1.045 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.864 0.615 2.180 1.00 11.42 H new ATOM 981 N GLN A 62 12.194 -1.612 3.528 1.00 13.97 N ATOM 982 CA GLN A 62 13.069 -2.745 3.354 1.00 15.52 C ATOM 983 C GLN A 62 12.400 -3.938 2.670 1.00 13.94 C ATOM 984 O GLN A 62 11.172 -4.012 2.682 1.00 12.15 O ATOM 985 CB GLN A 62 13.581 -3.211 4.758 1.00 19.53 C ATOM 986 CG GLN A 62 14.469 -2.252 5.521 1.00 26.38 C ATOM 987 CD GLN A 62 14.962 -2.952 6.798 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.146 -3.399 7.602 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.297 -2.972 7.070 1.00 32.71 N ATOM 0 H GLN A 62 11.849 -1.491 4.480 1.00 13.97 H new ATOM 0 HA GLN A 62 13.882 -2.414 2.708 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.713 -3.434 5.378 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.127 -4.145 4.626 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.315 -1.948 4.905 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.918 -1.346 5.774 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.961 -2.597 6.393 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.632 -3.362 7.951 1.00 32.71 H new ATOM 998 N LYS A 63 13.218 -4.887 2.226 1.00 11.73 N ATOM 999 CA LYS A 63 12.704 -6.206 1.904 1.00 11.97 C ATOM 1000 C LYS A 63 11.905 -6.897 3.023 1.00 10.41 C ATOM 1001 O LYS A 63 12.298 -6.930 4.225 1.00 9.59 O ATOM 1002 CB LYS A 63 13.753 -7.151 1.412 1.00 13.73 C ATOM 1003 CG LYS A 63 15.025 -7.357 2.291 1.00 16.98 C ATOM 1004 CD LYS A 63 15.979 -8.375 1.554 1.00 20.19 C ATOM 1005 CE LYS A 63 17.063 -9.006 2.417 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.835 -9.892 1.566 1.00 25.97 N ATOM 0 H LYS A 63 14.221 -4.768 2.084 1.00 11.73 H new ATOM 0 HA LYS A 63 12.006 -5.982 1.097 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.285 -8.125 1.270 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.078 -6.807 0.430 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.534 -6.407 2.450 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.749 -7.739 3.274 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.370 -9.172 1.127 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.457 -7.859 0.721 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.703 -8.238 2.852 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.620 -9.559 3.246 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.588 -10.342 2.125 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.211 -10.625 1.172 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.260 -9.345 0.790 1.00 25.97 H new ATOM 1020 N GLU A 64 10.788 -7.612 2.614 1.00 10.04 N ATOM 1021 CA GLU A 64 9.944 -8.450 3.419 1.00 10.94 C ATOM 1022 C GLU A 64 9.011 -7.663 4.406 1.00 9.74 C ATOM 1023 O GLU A 64 8.267 -8.277 5.138 1.00 9.42 O ATOM 1024 CB GLU A 64 10.769 -9.608 4.049 1.00 18.31 C ATOM 1025 CG GLU A 64 11.575 -10.618 3.115 1.00 24.16 C ATOM 1026 CD GLU A 64 12.073 -11.852 3.792 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.997 -11.815 4.652 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.679 -12.996 3.342 1.00 32.61 O ATOM 0 H GLU A 64 10.474 -7.584 1.644 1.00 10.04 H new ATOM 0 HA GLU A 64 9.215 -8.923 2.761 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.487 -9.158 4.734 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.083 -10.203 4.652 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.932 -10.913 2.286 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.426 -10.090 2.686 1.00 24.16 H new ATOM 1035 N SER A 65 9.186 -6.378 4.400 1.00 6.85 N ATOM 1036 CA SER A 65 8.423 -5.382 5.228 1.00 6.90 C ATOM 1037 C SER A 65 6.918 -5.437 5.248 1.00 4.72 C ATOM 1038 O SER A 65 6.298 -6.093 4.373 1.00 3.91 O ATOM 1039 CB SER A 65 8.726 -3.924 4.859 1.00 7.28 C ATOM 1040 OG SER A 65 10.108 -3.715 5.137 1.00 10.56 O ATOM 0 H SER A 65 9.886 -5.934 3.805 1.00 6.85 H new ATOM 0 HA SER A 65 8.792 -5.697 6.204 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.509 -3.737 3.807 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.106 -3.240 5.439 1.00 7.28 H new ATOM 0 HG SER A 65 10.588 -3.544 4.300 1.00 10.56 H new ATOM 1046 N THR A 66 6.247 -4.949 6.338 1.00 4.48 N ATOM 1047 CA THR A 66 4.859 -5.155 6.544 1.00 3.80 C ATOM 1048 C THR A 66 4.170 -3.774 6.594 1.00 4.60 C ATOM 1049 O THR A 66 4.599 -2.862 7.361 1.00 5.33 O ATOM 1050 CB THR A 66 4.536 -5.793 7.886 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.218 -7.046 7.946 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.028 -6.192 7.927 1.00 3.40 C ATOM 0 H THR A 66 6.696 -4.406 7.075 1.00 4.48 H new ATOM 0 HA THR A 66 4.523 -5.806 5.736 1.00 3.80 H new ATOM 0 HB THR A 66 4.806 -5.097 8.680 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.029 -7.481 8.804 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.799 -6.649 8.890 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.413 -5.303 7.792 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.818 -6.903 7.128 1.00 3.40 H new ATOM 1060 N LEU A 67 3.143 -3.572 5.789 1.00 4.17 N ATOM 1061 CA LEU A 67 2.470 -2.374 5.487 1.00 3.85 C ATOM 1062 C LEU A 67 1.069 -2.559 5.758 1.00 3.80 C ATOM 1063 O LEU A 67 0.514 -3.667 5.902 1.00 5.54 O ATOM 1064 CB LEU A 67 2.481 -2.178 3.963 1.00 7.18 C ATOM 1065 CG LEU A 67 3.711 -1.505 3.376 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.968 -2.463 3.374 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.396 -1.132 1.885 1.00 11.66 C ATOM 0 H LEU A 67 2.731 -4.356 5.283 1.00 4.17 H new ATOM 0 HA LEU A 67 2.935 -1.563 6.047 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.369 -3.155 3.492 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.606 -1.589 3.688 1.00 7.18 H new ATOM 0 HG LEU A 67 3.942 -0.631 3.985 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.823 -1.940 2.946 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.200 -2.761 4.396 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.749 -3.349 2.778 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.265 -0.647 1.440 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.160 -2.037 1.326 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.544 -0.453 1.852 1.00 11.66 H new ATOM 1079 N HIS A 68 0.333 -1.436 5.989 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.078 -1.573 6.236 1.00 4.17 C ATOM 1081 C HIS A 68 -1.915 -0.840 5.190 1.00 5.32 C ATOM 1082 O HIS A 68 -1.483 0.067 4.522 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.445 -1.075 7.624 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.263 -2.109 8.747 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.043 -2.430 9.305 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.164 -2.916 9.361 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.251 -3.331 10.267 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.523 -3.671 10.369 1.00 16.30 N ATOM 0 H HIS A 68 0.696 -0.483 6.004 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.303 -2.637 6.169 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.838 -0.199 7.853 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.485 -0.748 7.615 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.214 -2.973 9.116 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.532 -3.736 10.891 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.946 -4.328 11.025 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.194 -1.344 5.084 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.183 -0.886 4.119 1.00 3.97 C ATOM 1098 C LEU A 69 -5.396 -0.537 4.969 1.00 5.07 C ATOM 1099 O LEU A 69 -5.977 -1.382 5.708 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.568 -1.967 3.060 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.598 -1.561 2.069 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.154 -0.491 1.104 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.036 -2.788 1.340 1.00 9.96 C ATOM 0 H LEU A 69 -3.541 -2.089 5.689 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.792 -0.052 3.536 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.666 -2.258 2.521 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.925 -2.853 3.585 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.422 -1.104 2.617 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.969 -0.258 0.419 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.878 0.406 1.658 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.294 -0.847 0.537 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.794 -2.522 0.603 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.180 -3.236 0.835 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.454 -3.503 2.049 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.878 0.720 4.814 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.186 1.113 5.337 1.00 6.26 C ATOM 1117 C VAL A 70 -7.954 1.765 4.224 1.00 9.22 C ATOM 1118 O VAL A 70 -7.511 2.490 3.369 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.085 2.029 6.570 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.285 1.242 7.579 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.339 3.346 6.220 1.00 8.54 C ATOM 0 H VAL A 70 -5.376 1.466 4.333 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.710 0.223 5.686 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.070 2.309 6.943 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.169 1.830 8.490 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.805 0.313 7.811 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.302 1.014 7.166 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.280 3.977 7.107 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.332 3.113 5.873 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.881 3.873 5.435 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.256 1.336 4.167 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.112 1.597 3.036 1.00 16.06 C ATOM 1133 C LEU A 71 -11.020 2.758 3.220 1.00 18.09 C ATOM 1134 O LEU A 71 -11.268 3.159 4.368 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.906 0.363 2.741 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.980 -0.850 2.411 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.858 -2.024 2.071 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.059 -0.511 1.186 1.00 19.57 C ATOM 0 H LEU A 71 -9.707 0.807 4.914 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.466 1.861 2.198 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.534 0.120 3.598 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.574 0.551 1.900 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.345 -1.079 3.267 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.236 -2.888 1.836 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.497 -2.259 2.922 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.478 -1.777 1.209 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.418 -1.365 0.966 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.677 -0.288 0.317 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.441 0.355 1.424 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.497 3.282 2.083 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.165 4.537 1.929 1.00 25.83 C ATOM 1152 C ARG A 72 -13.560 4.378 1.264 1.00 27.74 C ATOM 1153 O ARG A 72 -13.629 4.234 0.043 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.398 5.555 1.302 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.947 6.976 1.465 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.908 8.025 1.014 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.612 9.326 1.276 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.256 10.441 0.632 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.162 10.519 -0.164 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.963 11.553 0.833 1.00 35.02 N ATOM 0 H ARG A 72 -11.409 2.787 1.195 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.311 4.890 2.950 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.385 5.525 1.704 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.325 5.330 0.238 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.859 7.087 0.879 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.215 7.149 2.507 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.981 7.946 1.581 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.648 7.910 -0.038 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.372 9.358 1.955 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.566 9.701 -0.294 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.934 11.395 -0.634 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.760 11.543 1.469 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.707 12.414 0.351 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.688 4.460 2.025 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.045 4.295 1.468 1.00 30.76 C ATOM 1176 C LEU A 73 -16.969 5.179 2.337 1.00 32.18 C ATOM 1177 O LEU A 73 -16.528 5.643 3.404 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.535 2.867 1.488 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.898 1.956 0.479 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.470 0.543 0.501 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.083 2.486 -1.003 1.00 29.11 C ATOM 0 H LEU A 73 -14.674 4.640 3.029 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.042 4.584 0.417 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.365 2.456 2.483 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.613 2.868 1.323 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.846 1.939 0.764 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.967 -0.065 -0.251 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.315 0.103 1.486 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.538 0.579 0.284 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.606 1.795 -1.699 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.146 2.558 -1.234 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.624 3.470 -1.097 1.00 29.11 H new ATOM 1193 N ARG A 74 -18.233 5.458 1.916 1.00 33.82 N ATOM 1194 CA ARG A 74 -19.175 6.348 2.667 1.00 35.33 C ATOM 1195 C ARG A 74 -19.657 5.754 3.973 1.00 36.22 C ATOM 1196 O ARG A 74 -19.739 6.465 4.946 1.00 36.70 O ATOM 1197 CB ARG A 74 -20.362 6.667 1.711 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.891 7.449 0.422 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.199 8.841 0.662 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.981 9.369 -0.688 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.349 10.482 -1.032 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.879 11.361 -0.101 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.135 10.861 -2.310 1.00 41.93 N ATOM 0 H ARG A 74 -18.629 5.079 1.056 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.650 7.257 2.961 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.848 5.738 1.414 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -21.106 7.260 2.243 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -19.198 6.813 -0.129 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.759 7.605 -0.219 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.831 9.504 1.252 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.260 8.731 1.204 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.361 8.813 -1.454 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.010 11.170 0.892 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.397 12.209 -0.398 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.467 10.277 -3.078 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.641 11.731 -2.508 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.927 4.418 3.954 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.345 3.666 5.171 1.00 36.07 C ATOM 1219 C GLY A 75 -19.218 3.049 5.976 1.00 36.16 C ATOM 1220 O GLY A 75 -19.461 2.213 6.825 1.00 36.26 O ATOM 0 H GLY A 75 -19.863 3.843 3.114 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.904 4.340 5.819 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.029 2.873 4.870 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.943 3.331 5.630 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.799 2.632 6.178 1.00 36.19 C ATOM 1226 C GLY A 76 -15.504 3.422 6.019 1.00 36.20 C ATOM 1227 O GLY A 76 -15.039 4.080 6.988 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.900 3.392 4.917 1.00 0.00 O ATOM 0 H GLY A 76 -17.695 4.057 4.958 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.972 2.431 7.235 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.695 1.666 5.683 1.00 36.19 H new TER 1232 GLY A 76