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 115:sc= 1.24 USER MOD Set 1.2: A 57 SER OG : rot -90:sc= 1.92 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.118 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.944 K(o=1.1,f=-5.2!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= -0.117 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -143:sc= 1.42 (180deg=-0.0286) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.702 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0429 (180deg=-0.607) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.2 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= -0.0359 X(o=-0.036,f=-0.23) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -97:sc= 0.0247 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.4 (180deg=1.2) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0.561 (180deg=0.499) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0411 K(o=-0.041,f=-1.9!) USER MOD Single : A 41 GLN : amide:sc= -0.483 K(o=-0.48,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.688 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 1.21 (180deg=0.971) USER MOD Single : A 65 SER OG : rot 180:sc=-0.00326 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.278 K(o=0.28,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.655 -7.120 -5.010 1.00 9.67 N ATOM 2 CA MET A 1 11.392 -7.217 -3.556 1.00 10.38 C ATOM 3 C MET A 1 9.969 -7.650 -3.172 1.00 9.62 C ATOM 4 O MET A 1 8.948 -7.409 -3.805 1.00 9.62 O ATOM 5 CB MET A 1 11.865 -5.993 -2.795 1.00 13.77 C ATOM 6 CG MET A 1 10.982 -4.726 -2.963 1.00 16.29 C ATOM 7 SD MET A 1 11.626 -3.342 -2.032 1.00 17.17 S ATOM 8 CE MET A 1 10.311 -3.319 -0.770 1.00 16.11 C ATOM 0 H1 MET A 1 12.623 -6.773 -5.165 1.00 9.67 H new ATOM 0 H2 MET A 1 11.550 -8.059 -5.445 1.00 9.67 H new ATOM 0 H3 MET A 1 10.977 -6.460 -5.442 1.00 9.67 H new ATOM 0 HA MET A 1 12.011 -8.053 -3.230 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.917 -6.242 -1.735 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.879 -5.755 -3.117 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.925 -4.460 -4.018 1.00 16.29 H new ATOM 0 HG3 MET A 1 9.966 -4.944 -2.634 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.657 -2.770 0.106 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.425 -2.833 -1.177 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.064 -4.341 -0.483 1.00 16.11 H new ATOM 20 N GLN A 2 9.846 -8.253 -2.014 1.00 9.27 N ATOM 21 CA GLN A 2 8.622 -8.598 -1.374 1.00 9.07 C ATOM 22 C GLN A 2 8.147 -7.548 -0.416 1.00 8.72 C ATOM 23 O GLN A 2 8.944 -6.835 0.194 1.00 8.22 O ATOM 24 CB GLN A 2 8.754 -9.936 -0.544 1.00 14.46 C ATOM 25 CG GLN A 2 9.009 -11.159 -1.486 1.00 17.01 C ATOM 26 CD GLN A 2 7.911 -11.255 -2.485 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.761 -11.551 -2.199 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.278 -11.197 -3.773 1.00 19.49 N ATOM 0 H GLN A 2 10.660 -8.530 -1.466 1.00 9.27 H new ATOM 0 HA GLN A 2 7.907 -8.708 -2.190 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.573 -9.846 0.170 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.844 -10.101 0.033 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.967 -11.047 -1.993 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.063 -12.077 -0.901 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.237 -10.950 -4.020 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.599 -11.399 -4.506 1.00 19.49 H new ATOM 37 N ILE A 3 6.759 -7.419 -0.286 1.00 5.87 N ATOM 38 CA ILE A 3 6.110 -6.652 0.806 1.00 5.07 C ATOM 39 C ILE A 3 4.874 -7.308 1.290 1.00 4.01 C ATOM 40 O ILE A 3 4.222 -8.072 0.576 1.00 4.61 O ATOM 41 CB ILE A 3 5.748 -5.236 0.428 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.927 -5.146 -0.880 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.009 -4.264 0.534 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.318 -3.727 -1.135 1.00 10.83 C ATOM 0 H ILE A 3 6.097 -7.845 -0.935 1.00 5.87 H new ATOM 0 HA ILE A 3 6.867 -6.626 1.590 1.00 5.07 H new ATOM 0 HB ILE A 3 5.047 -4.856 1.171 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.566 -5.415 -1.721 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.121 -5.878 -0.845 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.713 -3.253 0.255 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.383 -4.263 1.558 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.794 -4.611 -0.138 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.755 -3.735 -2.068 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.653 -3.463 -0.313 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.121 -2.993 -1.202 1.00 10.83 H new ATOM 56 N PHE A 4 4.452 -6.990 2.557 1.00 4.55 N ATOM 57 CA PHE A 4 3.266 -7.518 3.232 1.00 4.68 C ATOM 58 C PHE A 4 2.309 -6.497 3.501 1.00 5.30 C ATOM 59 O PHE A 4 2.574 -5.384 3.958 1.00 5.58 O ATOM 60 CB PHE A 4 3.540 -8.345 4.476 1.00 4.83 C ATOM 61 CG PHE A 4 4.534 -9.456 4.288 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.131 -10.616 3.536 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.920 -9.359 4.660 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.035 -11.643 3.237 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.792 -10.455 4.413 1.00 10.61 C ATOM 66 CZ PHE A 4 6.365 -11.558 3.701 1.00 8.90 C ATOM 0 H PHE A 4 4.966 -6.330 3.141 1.00 4.55 H new ATOM 0 HA PHE A 4 2.845 -8.220 2.512 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.901 -7.683 5.263 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.600 -8.773 4.825 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.109 -10.696 3.195 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.296 -8.459 5.124 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.716 -12.495 2.655 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.804 -10.424 4.788 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.055 -12.363 3.497 1.00 8.90 H new ATOM 76 N VAL A 5 1.067 -6.725 3.064 1.00 4.44 N ATOM 77 CA VAL A 5 -0.018 -5.808 3.196 1.00 3.87 C ATOM 78 C VAL A 5 -1.095 -6.425 4.064 1.00 4.93 C ATOM 79 O VAL A 5 -1.651 -7.505 3.790 1.00 6.84 O ATOM 80 CB VAL A 5 -0.446 -5.453 1.729 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.773 -4.646 1.771 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.627 -4.664 0.998 1.00 9.13 C ATOM 0 H VAL A 5 0.802 -7.591 2.595 1.00 4.44 H new ATOM 0 HA VAL A 5 0.234 -4.879 3.708 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.589 -6.383 1.179 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.078 -4.395 0.755 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.549 -5.247 2.245 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.624 -3.730 2.342 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.288 -4.440 -0.014 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.820 -3.733 1.531 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.543 -5.252 0.952 1.00 9.13 H new ATOM 92 N LYS A 6 -1.410 -5.753 5.141 1.00 6.04 N ATOM 93 CA LYS A 6 -2.339 -6.249 6.145 1.00 6.12 C ATOM 94 C LYS A 6 -3.581 -5.385 6.197 1.00 6.57 C ATOM 95 O LYS A 6 -3.426 -4.189 6.495 1.00 5.76 O ATOM 96 CB LYS A 6 -1.644 -6.212 7.492 1.00 7.45 C ATOM 97 CG LYS A 6 -0.600 -7.428 7.666 1.00 11.12 C ATOM 98 CD LYS A 6 -0.351 -7.540 9.175 1.00 14.54 C ATOM 99 CE LYS A 6 -1.471 -8.261 9.988 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.497 -9.716 9.620 1.00 20.55 N ATOM 0 H LYS A 6 -1.028 -4.832 5.356 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.639 -7.266 5.892 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.118 -5.264 7.603 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.389 -6.258 8.286 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.008 -8.356 7.265 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.327 -7.229 7.129 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.588 -8.071 9.332 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.221 -6.536 9.580 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.290 -8.148 11.057 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.438 -7.804 9.779 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.481 -10.053 9.605 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.073 -9.844 8.679 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.955 -10.261 10.321 1.00 20.55 H new ATOM 114 N THR A 7 -4.753 -5.889 5.800 1.00 7.41 N ATOM 115 CA THR A 7 -6.057 -5.211 5.822 1.00 7.48 C ATOM 116 C THR A 7 -6.454 -4.709 7.215 1.00 8.75 C ATOM 117 O THR A 7 -5.740 -4.774 8.220 1.00 8.58 O ATOM 118 CB THR A 7 -7.232 -6.076 5.227 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.718 -7.101 6.116 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.761 -6.788 3.903 1.00 9.17 C ATOM 0 H THR A 7 -4.823 -6.838 5.432 1.00 7.41 H new ATOM 0 HA THR A 7 -5.909 -4.350 5.171 1.00 7.48 H new ATOM 0 HB THR A 7 -8.044 -5.371 5.050 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.445 -7.594 5.681 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.580 -7.384 3.499 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.464 -6.036 3.172 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.913 -7.437 4.121 1.00 9.17 H new ATOM 128 N LEU A 8 -7.724 -4.251 7.320 1.00 9.84 N ATOM 129 CA LEU A 8 -8.318 -3.940 8.633 1.00 14.15 C ATOM 130 C LEU A 8 -8.603 -5.070 9.570 1.00 17.37 C ATOM 131 O LEU A 8 -8.668 -4.864 10.765 1.00 17.01 O ATOM 132 CB LEU A 8 -9.644 -3.117 8.515 1.00 16.63 C ATOM 133 CG LEU A 8 -9.566 -1.821 7.690 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.944 -1.212 7.215 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.817 -0.756 8.434 1.00 18.59 C ATOM 0 H LEU A 8 -8.343 -4.092 6.525 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.498 -3.371 9.071 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.408 -3.758 8.075 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.981 -2.864 9.520 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.043 -2.134 6.786 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.762 -0.302 6.644 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.465 -1.936 6.588 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.557 -0.977 8.085 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.776 0.150 7.829 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.326 -0.542 9.374 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.804 -1.101 8.640 1.00 18.59 H new ATOM 147 N THR A 9 -8.897 -6.293 9.034 1.00 18.33 N ATOM 148 CA THR A 9 -9.327 -7.425 9.830 1.00 19.24 C ATOM 149 C THR A 9 -8.189 -8.400 10.082 1.00 19.48 C ATOM 150 O THR A 9 -8.381 -9.524 10.551 1.00 23.14 O ATOM 151 CB THR A 9 -10.491 -8.174 9.197 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.143 -8.687 7.927 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.666 -7.236 9.049 1.00 19.70 C ATOM 0 H THR A 9 -8.834 -6.494 8.036 1.00 18.33 H new ATOM 0 HA THR A 9 -9.661 -7.006 10.779 1.00 19.24 H new ATOM 0 HB THR A 9 -10.751 -9.011 9.845 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.909 -9.164 7.546 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.502 -7.769 8.596 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.961 -6.865 10.030 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.384 -6.396 8.414 1.00 19.70 H new ATOM 161 N GLY A 10 -6.933 -7.962 9.691 1.00 19.43 N ATOM 162 CA GLY A 10 -5.701 -8.716 9.887 1.00 18.74 C ATOM 163 C GLY A 10 -5.283 -9.715 8.894 1.00 17.62 C ATOM 164 O GLY A 10 -4.299 -10.448 9.090 1.00 19.74 O ATOM 0 H GLY A 10 -6.784 -7.064 9.230 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.890 -7.993 9.980 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.784 -9.228 10.846 1.00 18.74 H new ATOM 168 N LYS A 11 -6.055 -9.726 7.777 1.00 13.56 N ATOM 169 CA LYS A 11 -5.812 -10.515 6.592 1.00 11.91 C ATOM 170 C LYS A 11 -4.531 -10.000 5.901 1.00 10.18 C ATOM 171 O LYS A 11 -4.449 -8.782 5.571 1.00 9.10 O ATOM 172 CB LYS A 11 -6.985 -10.355 5.593 1.00 13.43 C ATOM 173 CG LYS A 11 -6.776 -11.218 4.370 1.00 16.69 C ATOM 174 CD LYS A 11 -8.028 -11.363 3.500 1.00 17.92 C ATOM 175 CE LYS A 11 -7.756 -12.017 2.125 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.435 -13.451 2.239 1.00 21.93 N ATOM 0 H LYS A 11 -6.895 -9.152 7.698 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.710 -11.561 6.881 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.921 -10.628 6.079 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.073 -9.310 5.295 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.973 -10.792 3.768 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.447 -12.208 4.686 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.766 -11.959 4.037 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.467 -10.378 3.344 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.631 -11.893 1.487 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.930 -11.500 1.637 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.261 -13.844 1.292 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.584 -13.571 2.825 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.233 -13.951 2.680 1.00 21.93 H new ATOM 190 N THR A 12 -3.543 -10.904 5.614 1.00 9.63 N ATOM 191 CA THR A 12 -2.316 -10.557 4.975 1.00 9.85 C ATOM 192 C THR A 12 -2.396 -10.985 3.534 1.00 11.66 C ATOM 193 O THR A 12 -2.485 -12.176 3.268 1.00 12.33 O ATOM 194 CB THR A 12 -1.080 -11.198 5.667 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.078 -10.888 7.087 1.00 10.91 O ATOM 196 CG2 THR A 12 0.182 -10.686 5.009 1.00 9.63 C ATOM 0 H THR A 12 -3.617 -11.896 5.839 1.00 9.63 H new ATOM 0 HA THR A 12 -2.180 -9.478 5.049 1.00 9.85 H new ATOM 0 HB THR A 12 -1.126 -12.282 5.558 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.296 -11.299 7.510 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.051 -11.133 5.492 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.176 -10.954 3.952 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.230 -9.602 5.108 1.00 9.63 H new ATOM 204 N ILE A 13 -2.299 -10.060 2.562 1.00 10.42 N ATOM 205 CA ILE A 13 -1.933 -10.302 1.174 1.00 11.84 C ATOM 206 C ILE A 13 -0.525 -9.859 0.926 1.00 10.55 C ATOM 207 O ILE A 13 -0.085 -8.876 1.473 1.00 11.92 O ATOM 208 CB ILE A 13 -2.886 -9.670 0.173 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.038 -8.158 0.335 1.00 14.87 C ATOM 210 CG2 ILE A 13 -4.200 -10.411 0.395 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.887 -7.627 -0.883 1.00 16.46 C ATOM 0 H ILE A 13 -2.486 -9.074 2.744 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.009 -11.378 1.016 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.512 -9.768 -0.846 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.533 -7.922 1.277 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -2.061 -7.676 0.359 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.956 -10.023 -0.287 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.054 -11.475 0.207 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.530 -10.266 1.424 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.013 -6.548 -0.796 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.370 -7.858 -1.815 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.865 -8.108 -0.882 1.00 16.46 H new ATOM 223 N THR A 14 0.184 -10.585 0.036 1.00 9.39 N ATOM 224 CA THR A 14 1.582 -10.310 -0.208 1.00 9.63 C ATOM 225 C THR A 14 1.642 -9.682 -1.615 1.00 11.20 C ATOM 226 O THR A 14 0.914 -10.119 -2.502 1.00 11.63 O ATOM 227 CB THR A 14 2.469 -11.491 -0.187 1.00 10.38 C ATOM 228 OG1 THR A 14 2.165 -12.259 0.995 1.00 16.30 O ATOM 229 CG2 THR A 14 3.963 -11.179 -0.049 1.00 11.66 C ATOM 0 H THR A 14 -0.200 -11.355 -0.512 1.00 9.39 H new ATOM 0 HA THR A 14 1.943 -9.668 0.596 1.00 9.63 H new ATOM 0 HB THR A 14 2.295 -11.991 -1.140 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.798 -12.029 1.707 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.530 -12.110 -0.043 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.285 -10.563 -0.889 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.138 -10.642 0.883 1.00 11.66 H new ATOM 237 N LEU A 15 2.575 -8.721 -1.764 1.00 8.29 N ATOM 238 CA LEU A 15 2.745 -8.223 -3.087 1.00 9.03 C ATOM 239 C LEU A 15 4.182 -8.283 -3.465 1.00 8.59 C ATOM 240 O LEU A 15 5.106 -8.453 -2.674 1.00 7.79 O ATOM 241 CB LEU A 15 2.396 -6.724 -3.262 1.00 11.08 C ATOM 242 CG LEU A 15 0.975 -6.379 -2.752 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.729 -4.906 -2.735 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.034 -7.047 -3.590 1.00 15.27 C ATOM 0 H LEU A 15 3.164 -8.319 -1.035 1.00 8.29 H new ATOM 0 HA LEU A 15 2.079 -8.842 -3.689 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.127 -6.120 -2.725 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.474 -6.457 -4.316 1.00 11.08 H new ATOM 0 HG LEU A 15 0.897 -6.737 -1.726 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.279 -4.710 -2.371 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.453 -4.424 -2.078 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.834 -4.508 -3.744 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.031 -6.800 -3.226 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.069 -6.710 -4.622 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.112 -8.126 -3.544 1.00 15.27 H new ATOM 256 N GLU A 16 4.471 -8.165 -4.794 1.00 11.04 N ATOM 257 CA GLU A 16 5.823 -8.250 -5.328 1.00 11.50 C ATOM 258 C GLU A 16 6.074 -6.984 -6.100 1.00 10.13 C ATOM 259 O GLU A 16 5.224 -6.541 -6.955 1.00 9.83 O ATOM 260 CB GLU A 16 5.996 -9.492 -6.189 1.00 17.22 C ATOM 261 CG GLU A 16 7.422 -9.709 -6.748 1.00 23.33 C ATOM 262 CD GLU A 16 7.605 -11.095 -7.326 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.794 -12.080 -6.547 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.413 -11.240 -8.526 1.00 28.90 O ATOM 0 H GLU A 16 3.759 -8.009 -5.507 1.00 11.04 H new ATOM 0 HA GLU A 16 6.553 -8.344 -4.525 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.717 -10.365 -5.600 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.299 -9.435 -7.025 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.625 -8.966 -7.519 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.150 -9.550 -5.953 1.00 23.33 H new ATOM 271 N VAL A 17 7.169 -6.270 -5.763 1.00 8.99 N ATOM 272 CA VAL A 17 7.305 -4.814 -6.000 1.00 8.85 C ATOM 273 C VAL A 17 8.836 -4.494 -6.263 1.00 8.04 C ATOM 274 O VAL A 17 9.759 -5.303 -6.066 1.00 8.99 O ATOM 275 CB VAL A 17 6.871 -3.935 -4.762 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.368 -3.942 -4.555 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.621 -4.181 -3.418 1.00 10.54 C ATOM 0 H VAL A 17 7.987 -6.687 -5.318 1.00 8.99 H new ATOM 0 HA VAL A 17 6.657 -4.571 -6.842 1.00 8.85 H new ATOM 0 HB VAL A 17 7.196 -2.938 -5.060 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.117 -3.324 -3.693 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.877 -3.543 -5.443 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.029 -4.963 -4.381 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.226 -3.513 -2.653 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.478 -5.215 -3.105 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.685 -3.987 -3.554 1.00 10.54 H new ATOM 287 N GLU A 18 9.078 -3.210 -6.755 1.00 7.29 N ATOM 288 CA GLU A 18 10.450 -2.741 -6.719 1.00 7.08 C ATOM 289 C GLU A 18 10.504 -1.541 -5.880 1.00 6.45 C ATOM 290 O GLU A 18 9.474 -0.875 -5.780 1.00 5.28 O ATOM 291 CB GLU A 18 10.837 -2.231 -8.140 1.00 10.28 C ATOM 292 CG GLU A 18 11.085 -3.338 -9.163 1.00 12.65 C ATOM 293 CD GLU A 18 12.223 -4.256 -8.867 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.270 -3.765 -8.304 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.089 -5.465 -9.147 1.00 14.33 O ATOM 0 H GLU A 18 8.384 -2.568 -7.138 1.00 7.29 H new ATOM 0 HA GLU A 18 11.095 -3.544 -6.364 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.042 -1.584 -8.509 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.735 -1.619 -8.061 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.177 -3.934 -9.252 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.260 -2.876 -10.135 1.00 12.65 H new ATOM 302 N PRO A 19 11.569 -1.136 -5.215 1.00 7.24 N ATOM 303 CA PRO A 19 11.631 0.072 -4.399 1.00 7.07 C ATOM 304 C PRO A 19 11.580 1.366 -5.154 1.00 6.65 C ATOM 305 O PRO A 19 11.618 2.394 -4.507 1.00 6.37 O ATOM 306 CB PRO A 19 12.938 -0.081 -3.629 1.00 7.61 C ATOM 307 CG PRO A 19 13.834 -0.839 -4.583 1.00 8.16 C ATOM 308 CD PRO A 19 12.808 -1.852 -5.243 1.00 7.49 C ATOM 0 HA PRO A 19 10.746 0.146 -3.767 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.363 0.888 -3.366 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.792 -0.628 -2.698 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.295 -0.183 -5.321 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.643 -1.354 -4.065 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.099 -2.112 -6.261 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.746 -2.784 -4.681 1.00 7.49 H new ATOM 316 N SER A 20 11.492 1.326 -6.489 1.00 6.80 N ATOM 317 CA SER A 20 11.290 2.478 -7.407 1.00 6.28 C ATOM 318 C SER A 20 9.822 2.537 -7.842 1.00 8.45 C ATOM 319 O SER A 20 9.411 3.485 -8.498 1.00 7.26 O ATOM 320 CB SER A 20 12.087 2.351 -8.758 1.00 8.57 C ATOM 321 OG SER A 20 11.832 1.168 -9.432 1.00 11.13 O ATOM 0 H SER A 20 11.563 0.444 -6.997 1.00 6.80 H new ATOM 0 HA SER A 20 11.627 3.350 -6.847 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.832 3.192 -9.403 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.155 2.421 -8.551 1.00 8.57 H new ATOM 0 HG SER A 20 12.352 1.146 -10.262 1.00 11.13 H new ATOM 327 N ASP A 21 8.965 1.581 -7.370 1.00 7.50 N ATOM 328 CA ASP A 21 7.489 1.630 -7.603 1.00 7.70 C ATOM 329 C ASP A 21 6.901 2.669 -6.575 1.00 7.08 C ATOM 330 O ASP A 21 7.361 2.885 -5.467 1.00 8.11 O ATOM 331 CB ASP A 21 6.850 0.189 -7.679 1.00 11.00 C ATOM 332 CG ASP A 21 7.225 -0.485 -8.932 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.201 0.190 -10.024 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.491 -1.716 -8.880 1.00 14.36 O ATOM 0 H ASP A 21 9.271 0.772 -6.829 1.00 7.50 H new ATOM 0 HA ASP A 21 7.217 2.002 -8.591 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.182 -0.406 -6.828 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.765 0.264 -7.612 1.00 11.00 H new ATOM 339 N THR A 22 5.814 3.315 -7.018 1.00 5.37 N ATOM 340 CA THR A 22 5.094 4.318 -6.270 1.00 6.01 C ATOM 341 C THR A 22 4.081 3.641 -5.443 1.00 8.01 C ATOM 342 O THR A 22 3.693 2.473 -5.561 1.00 8.11 O ATOM 343 CB THR A 22 4.467 5.448 -7.146 1.00 8.92 C ATOM 344 OG1 THR A 22 3.250 5.135 -7.863 1.00 10.22 O ATOM 345 CG2 THR A 22 5.462 6.206 -8.099 1.00 9.65 C ATOM 0 H THR A 22 5.410 3.138 -7.938 1.00 5.37 H new ATOM 0 HA THR A 22 5.813 4.842 -5.640 1.00 6.01 H new ATOM 0 HB THR A 22 4.180 6.128 -6.344 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.958 5.921 -8.371 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.920 6.968 -8.659 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.245 6.679 -7.506 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.912 5.497 -8.794 1.00 9.65 H new ATOM 353 N ILE A 23 3.463 4.408 -4.491 1.00 8.32 N ATOM 354 CA ILE A 23 2.451 3.988 -3.553 1.00 9.92 C ATOM 355 C ILE A 23 1.146 3.666 -4.263 1.00 10.01 C ATOM 356 O ILE A 23 0.475 2.644 -4.016 1.00 8.71 O ATOM 357 CB ILE A 23 2.317 4.931 -2.385 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.612 5.102 -1.547 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.120 4.627 -1.508 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.330 3.822 -1.016 1.00 12.30 C ATOM 0 H ILE A 23 3.696 5.394 -4.378 1.00 8.32 H new ATOM 0 HA ILE A 23 2.777 3.052 -3.099 1.00 9.92 H new ATOM 0 HB ILE A 23 2.137 5.900 -2.850 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.328 5.656 -2.153 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.370 5.727 -0.687 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.081 5.341 -0.686 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.207 4.703 -2.099 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.210 3.617 -1.107 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.216 4.110 -0.451 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.652 3.266 -0.369 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.624 3.194 -1.857 1.00 12.30 H new ATOM 372 N GLU A 24 0.749 4.517 -5.239 1.00 9.54 N ATOM 373 CA GLU A 24 -0.375 4.167 -6.205 1.00 11.81 C ATOM 374 C GLU A 24 -0.059 2.968 -7.107 1.00 11.14 C ATOM 375 O GLU A 24 -1.003 2.219 -7.360 1.00 10.62 O ATOM 376 CB GLU A 24 -0.712 5.376 -7.102 1.00 19.24 C ATOM 377 CG GLU A 24 -1.655 5.305 -8.255 1.00 27.76 C ATOM 378 CD GLU A 24 -1.777 6.676 -8.936 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.730 7.277 -9.313 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.867 7.107 -9.192 1.00 36.51 O ATOM 0 H GLU A 24 1.165 5.435 -5.395 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.225 3.896 -5.578 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.094 6.153 -6.440 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.236 5.736 -7.502 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.304 4.565 -8.974 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.635 4.975 -7.911 1.00 27.76 H new ATOM 387 N ASN A 25 1.206 2.682 -7.568 1.00 9.43 N ATOM 388 CA ASN A 25 1.549 1.372 -8.078 1.00 10.96 C ATOM 389 C ASN A 25 1.310 0.179 -7.061 1.00 9.68 C ATOM 390 O ASN A 25 0.842 -0.883 -7.514 1.00 9.33 O ATOM 391 CB ASN A 25 3.000 1.203 -8.667 1.00 16.78 C ATOM 392 CG ASN A 25 3.407 2.296 -9.679 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.460 2.929 -9.434 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.588 2.527 -10.762 1.00 24.70 N ATOM 0 H ASN A 25 1.973 3.355 -7.583 1.00 9.43 H new ATOM 0 HA ASN A 25 0.839 1.311 -8.903 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.715 1.202 -7.845 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.071 0.230 -9.153 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.824 3.258 -11.433 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.745 1.967 -10.893 1.00 24.70 H new ATOM 401 N VAL A 26 1.623 0.284 -5.777 1.00 6.52 N ATOM 402 CA VAL A 26 1.311 -0.729 -4.811 1.00 5.53 C ATOM 403 C VAL A 26 -0.216 -0.942 -4.738 1.00 4.42 C ATOM 404 O VAL A 26 -0.709 -2.050 -4.694 1.00 3.40 O ATOM 405 CB VAL A 26 1.929 -0.462 -3.514 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.626 -1.513 -2.459 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.475 -0.350 -3.669 1.00 8.12 C ATOM 0 H VAL A 26 2.107 1.091 -5.384 1.00 6.52 H new ATOM 0 HA VAL A 26 1.749 -1.672 -5.139 1.00 5.53 H new ATOM 0 HB VAL A 26 1.496 0.478 -3.171 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.120 -1.244 -1.525 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.549 -1.567 -2.298 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.991 -2.483 -2.796 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.925 -0.151 -2.696 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.869 -1.285 -4.067 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.714 0.465 -4.353 1.00 8.12 H new ATOM 417 N LYS A 27 -0.967 0.104 -4.672 1.00 2.64 N ATOM 418 CA LYS A 27 -2.452 0.111 -4.718 1.00 4.14 C ATOM 419 C LYS A 27 -3.061 -0.434 -6.043 1.00 5.58 C ATOM 420 O LYS A 27 -4.027 -1.145 -6.024 1.00 4.11 O ATOM 421 CB LYS A 27 -3.119 1.473 -4.543 1.00 3.97 C ATOM 422 CG LYS A 27 -2.842 2.013 -3.160 1.00 7.45 C ATOM 423 CD LYS A 27 -3.325 3.406 -3.056 1.00 9.02 C ATOM 424 CE LYS A 27 -2.979 4.011 -1.628 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.452 5.383 -1.583 1.00 15.47 N ATOM 0 H LYS A 27 -0.576 1.042 -4.579 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.659 -0.537 -3.867 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.746 2.169 -5.295 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.194 1.383 -4.698 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.335 1.392 -2.412 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.773 1.974 -2.952 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.867 4.015 -3.836 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.402 3.437 -3.219 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.451 3.421 -0.842 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.904 3.975 -1.451 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.922 5.910 -0.860 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.309 5.830 -2.511 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.465 5.394 -1.346 1.00 15.47 H new ATOM 439 N ALA A 28 -2.457 -0.216 -7.232 1.00 6.61 N ATOM 440 CA ALA A 28 -2.840 -0.919 -8.454 1.00 7.74 C ATOM 441 C ALA A 28 -2.522 -2.435 -8.387 1.00 9.17 C ATOM 442 O ALA A 28 -3.192 -3.322 -8.910 1.00 11.45 O ATOM 443 CB ALA A 28 -1.944 -0.453 -9.583 1.00 7.68 C ATOM 0 H ALA A 28 -1.696 0.450 -7.361 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.905 -0.729 -8.589 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.219 -0.970 -10.502 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.062 0.622 -9.722 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.905 -0.675 -9.338 1.00 7.68 H new ATOM 449 N LYS A 29 -1.464 -2.860 -7.648 1.00 8.96 N ATOM 450 CA LYS A 29 -1.059 -4.218 -7.422 1.00 7.90 C ATOM 451 C LYS A 29 -2.020 -4.934 -6.416 1.00 6.92 C ATOM 452 O LYS A 29 -2.363 -6.082 -6.635 1.00 6.87 O ATOM 453 CB LYS A 29 0.430 -4.365 -6.919 1.00 10.28 C ATOM 454 CG LYS A 29 1.471 -4.063 -8.073 1.00 14.94 C ATOM 455 CD LYS A 29 2.821 -4.143 -7.383 1.00 19.69 C ATOM 456 CE LYS A 29 3.978 -3.940 -8.377 1.00 22.63 C ATOM 457 NZ LYS A 29 4.219 -5.073 -9.268 1.00 24.98 N ATOM 0 H LYS A 29 -0.850 -2.197 -7.176 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.116 -4.699 -8.399 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.602 -3.683 -6.086 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.588 -5.375 -6.541 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.393 -4.790 -8.881 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.305 -3.079 -8.512 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.876 -3.386 -6.601 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.925 -5.113 -6.896 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.770 -3.057 -8.981 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.890 -3.735 -7.816 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.893 -4.794 -10.010 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.613 -5.866 -8.722 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.323 -5.366 -9.707 1.00 24.98 H new ATOM 471 N ILE A 30 -2.560 -4.246 -5.428 1.00 4.57 N ATOM 472 CA ILE A 30 -3.688 -4.618 -4.598 1.00 5.58 C ATOM 473 C ILE A 30 -5.065 -4.728 -5.334 1.00 7.26 C ATOM 474 O ILE A 30 -5.862 -5.641 -5.097 1.00 9.46 O ATOM 475 CB ILE A 30 -3.863 -3.668 -3.379 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.555 -3.665 -2.490 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.078 -4.144 -2.541 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.540 -2.638 -1.329 1.00 2.00 C ATOM 0 H ILE A 30 -2.188 -3.334 -5.164 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.419 -5.622 -4.271 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.036 -2.652 -3.733 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.419 -4.662 -2.072 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.698 -3.470 -3.135 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.209 -3.484 -1.683 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.977 -4.121 -3.158 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.903 -5.162 -2.192 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.600 -2.719 -0.783 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.639 -1.631 -1.733 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.371 -2.841 -0.653 1.00 2.00 H new ATOM 490 N GLN A 31 -5.229 -3.830 -6.323 1.00 7.06 N ATOM 491 CA GLN A 31 -6.366 -3.845 -7.261 1.00 8.67 C ATOM 492 C GLN A 31 -6.350 -5.119 -8.075 1.00 10.90 C ATOM 493 O GLN A 31 -7.383 -5.797 -8.256 1.00 9.63 O ATOM 494 CB GLN A 31 -6.315 -2.609 -8.219 1.00 9.12 C ATOM 495 CG GLN A 31 -7.634 -2.374 -8.859 1.00 10.76 C ATOM 496 CD GLN A 31 -7.545 -1.324 -9.948 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.501 -0.647 -10.088 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.577 -1.140 -10.745 1.00 14.76 N ATOM 0 H GLN A 31 -4.572 -3.069 -6.494 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.287 -3.797 -6.680 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.016 -1.723 -7.659 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.558 -2.771 -8.987 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.006 -3.307 -9.282 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.354 -2.057 -8.105 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.422 -1.697 -10.622 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.531 -0.440 -11.486 1.00 14.76 H new ATOM 507 N ASP A 32 -5.124 -5.408 -8.577 1.00 10.93 N ATOM 508 CA ASP A 32 -4.850 -6.681 -9.158 1.00 14.01 C ATOM 509 C ASP A 32 -5.121 -7.927 -8.309 1.00 14.04 C ATOM 510 O ASP A 32 -5.638 -8.970 -8.788 1.00 13.39 O ATOM 511 CB ASP A 32 -3.392 -6.624 -9.756 1.00 18.01 C ATOM 512 CG ASP A 32 -3.261 -7.674 -10.835 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.931 -7.680 -11.840 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.307 -8.544 -10.671 1.00 25.17 O ATOM 0 H ASP A 32 -4.336 -4.761 -8.577 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.595 -6.836 -9.939 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.192 -5.635 -10.167 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.656 -6.797 -8.971 1.00 18.01 H new ATOM 519 N LYS A 33 -4.760 -7.873 -7.002 1.00 14.22 N ATOM 520 CA LYS A 33 -5.064 -8.967 -6.062 1.00 14.00 C ATOM 521 C LYS A 33 -6.525 -9.140 -5.720 1.00 12.37 C ATOM 522 O LYS A 33 -7.026 -10.248 -5.675 1.00 12.17 O ATOM 523 CB LYS A 33 -4.259 -8.846 -4.685 1.00 18.62 C ATOM 524 CG LYS A 33 -2.791 -9.114 -4.831 1.00 24.00 C ATOM 525 CD LYS A 33 -2.430 -10.572 -4.934 1.00 27.61 C ATOM 526 CE LYS A 33 -0.905 -10.811 -5.198 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.529 -12.166 -4.709 1.00 30.06 N ATOM 0 H LYS A 33 -4.262 -7.087 -6.583 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.742 -9.844 -6.623 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.400 -7.845 -4.277 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.679 -9.547 -3.964 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.427 -8.599 -5.720 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.269 -8.683 -3.977 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.716 -11.077 -4.011 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.007 -11.027 -5.739 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.690 -10.723 -6.263 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.312 -10.051 -4.690 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.483 -12.329 -4.882 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.721 -12.233 -3.689 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.087 -12.884 -5.214 1.00 30.06 H new ATOM 541 N GLU A 34 -7.224 -8.047 -5.340 1.00 10.11 N ATOM 542 CA GLU A 34 -8.503 -8.193 -4.636 1.00 10.07 C ATOM 543 C GLU A 34 -9.633 -7.370 -5.247 1.00 9.32 C ATOM 544 O GLU A 34 -10.793 -7.442 -4.760 1.00 11.61 O ATOM 545 CB GLU A 34 -8.353 -7.835 -3.156 1.00 14.77 C ATOM 546 CG GLU A 34 -7.508 -8.759 -2.250 1.00 18.75 C ATOM 547 CD GLU A 34 -8.284 -10.056 -2.041 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.279 -10.032 -1.280 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.974 -11.079 -2.680 1.00 25.19 O ATOM 0 H GLU A 34 -6.930 -7.084 -5.506 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.778 -9.242 -4.741 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.923 -6.835 -3.100 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.353 -7.777 -2.727 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.542 -8.964 -2.711 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.309 -8.276 -1.293 1.00 18.75 H new ATOM 556 N GLY A 35 -9.458 -6.602 -6.362 1.00 7.22 N ATOM 557 CA GLY A 35 -10.571 -5.900 -7.067 1.00 6.29 C ATOM 558 C GLY A 35 -10.898 -4.511 -6.499 1.00 6.93 C ATOM 559 O GLY A 35 -11.876 -3.914 -6.927 1.00 7.41 O ATOM 0 H GLY A 35 -8.546 -6.453 -6.795 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.312 -5.798 -8.121 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.466 -6.520 -7.018 1.00 6.29 H new ATOM 563 N ILE A 36 -10.129 -4.068 -5.505 1.00 5.86 N ATOM 564 CA ILE A 36 -10.484 -2.848 -4.770 1.00 6.07 C ATOM 565 C ILE A 36 -10.062 -1.616 -5.491 1.00 6.36 C ATOM 566 O ILE A 36 -8.874 -1.561 -5.757 1.00 6.18 O ATOM 567 CB ILE A 36 -9.918 -2.887 -3.391 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.256 -4.263 -2.720 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.337 -1.598 -2.488 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.415 -4.585 -1.448 1.00 9.49 C ATOM 0 H ILE A 36 -9.271 -4.523 -5.192 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.571 -2.812 -4.698 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.833 -2.811 -3.464 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.313 -4.273 -2.454 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.104 -5.057 -3.451 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.893 -1.688 -1.497 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.977 -0.687 -2.965 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.422 -1.555 -2.397 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.714 -5.554 -1.050 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.357 -4.611 -1.708 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.585 -3.815 -0.695 1.00 9.49 H new ATOM 582 N PRO A 37 -10.835 -0.647 -5.875 1.00 8.65 N ATOM 583 CA PRO A 37 -10.314 0.577 -6.494 1.00 9.18 C ATOM 584 C PRO A 37 -9.271 1.297 -5.664 1.00 9.85 C ATOM 585 O PRO A 37 -9.625 1.503 -4.526 1.00 8.51 O ATOM 586 CB PRO A 37 -11.528 1.484 -6.691 1.00 11.42 C ATOM 587 CG PRO A 37 -12.743 0.563 -6.793 1.00 9.27 C ATOM 588 CD PRO A 37 -12.350 -0.593 -5.909 1.00 8.33 C ATOM 0 HA PRO A 37 -9.805 0.318 -7.422 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.635 2.177 -5.856 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.420 2.086 -7.593 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.653 1.051 -6.443 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.926 0.245 -7.819 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.751 -0.461 -4.904 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.758 -1.527 -6.295 1.00 8.33 H new ATOM 596 N PRO A 38 -8.049 1.733 -6.062 1.00 8.71 N ATOM 597 CA PRO A 38 -7.061 2.488 -5.292 1.00 9.08 C ATOM 598 C PRO A 38 -7.664 3.607 -4.515 1.00 9.28 C ATOM 599 O PRO A 38 -7.168 3.838 -3.416 1.00 6.50 O ATOM 600 CB PRO A 38 -6.062 3.002 -6.351 1.00 10.31 C ATOM 601 CG PRO A 38 -6.040 1.871 -7.421 1.00 10.81 C ATOM 602 CD PRO A 38 -7.515 1.394 -7.406 1.00 12.00 C ATOM 0 HA PRO A 38 -6.586 1.865 -4.534 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.385 3.951 -6.779 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.073 3.166 -5.922 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.740 2.241 -8.401 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.349 1.071 -7.157 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.091 1.887 -8.189 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.579 0.322 -7.591 1.00 12.00 H new ATOM 610 N ASP A 39 -8.642 4.389 -4.968 1.00 11.20 N ATOM 611 CA ASP A 39 -9.323 5.441 -4.192 1.00 14.96 C ATOM 612 C ASP A 39 -9.759 4.897 -2.803 1.00 13.99 C ATOM 613 O ASP A 39 -9.562 5.554 -1.766 1.00 13.75 O ATOM 614 CB ASP A 39 -10.644 5.842 -5.002 1.00 24.16 C ATOM 615 CG ASP A 39 -11.146 7.082 -4.322 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.551 8.175 -4.337 1.00 34.22 O ATOM 617 OD2 ASP A 39 -12.264 6.862 -3.749 1.00 35.55 O ATOM 0 H ASP A 39 -9.000 4.310 -5.920 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.652 6.288 -4.047 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.423 6.029 -6.053 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.386 5.044 -4.969 1.00 24.16 H new ATOM 622 N GLN A 40 -10.351 3.739 -2.585 1.00 11.60 N ATOM 623 CA GLN A 40 -10.785 3.191 -1.303 1.00 10.76 C ATOM 624 C GLN A 40 -9.654 2.689 -0.440 1.00 8.01 C ATOM 625 O GLN A 40 -9.875 2.337 0.678 1.00 8.96 O ATOM 626 CB GLN A 40 -11.752 1.991 -1.602 1.00 11.14 C ATOM 627 CG GLN A 40 -12.963 2.286 -2.491 1.00 14.85 C ATOM 628 CD GLN A 40 -13.853 1.049 -2.814 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.479 0.011 -2.255 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.903 1.159 -3.660 1.00 18.16 N ATOM 0 H GLN A 40 -10.560 3.104 -3.355 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.266 3.997 -0.749 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.172 1.196 -2.071 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.115 1.602 -0.651 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.579 3.042 -2.003 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.612 2.718 -3.428 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.133 2.063 -4.072 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.465 0.338 -3.885 1.00 18.16 H new ATOM 639 N GLN A 41 -8.402 2.607 -1.009 1.00 6.52 N ATOM 640 CA GLN A 41 -7.176 2.099 -0.370 1.00 3.87 C ATOM 641 C GLN A 41 -6.325 3.113 0.252 1.00 4.79 C ATOM 642 O GLN A 41 -5.814 4.050 -0.376 1.00 6.34 O ATOM 643 CB GLN A 41 -6.235 1.331 -1.410 1.00 4.20 C ATOM 644 CG GLN A 41 -7.050 0.150 -2.058 1.00 3.20 C ATOM 645 CD GLN A 41 -6.093 -0.497 -3.041 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.979 -0.862 -2.706 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.554 -0.839 -4.262 1.00 7.13 N ATOM 0 H GLN A 41 -8.235 2.912 -1.968 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.573 1.443 0.405 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.887 2.017 -2.182 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.350 0.945 -0.904 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.380 -0.563 -1.302 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.944 0.518 -2.562 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.484 -0.542 -4.558 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.973 -1.395 -4.889 1.00 7.13 H new ATOM 656 N ARG A 42 -5.911 2.911 1.511 1.00 5.73 N ATOM 657 CA ARG A 42 -4.965 3.744 2.192 1.00 6.97 C ATOM 658 C ARG A 42 -3.832 2.987 2.792 1.00 7.15 C ATOM 659 O ARG A 42 -4.012 2.136 3.636 1.00 7.33 O ATOM 660 CB ARG A 42 -5.521 4.809 3.199 1.00 13.23 C ATOM 661 CG ARG A 42 -6.623 5.678 2.635 1.00 21.27 C ATOM 662 CD ARG A 42 -7.100 6.768 3.560 1.00 26.14 C ATOM 663 NE ARG A 42 -8.141 7.537 2.873 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.335 8.826 3.245 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.801 9.359 4.328 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.189 9.586 2.556 1.00 36.39 N ATOM 0 H ARG A 42 -6.247 2.136 2.082 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.594 4.343 1.360 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.896 4.295 4.084 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.700 5.448 3.525 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.270 6.134 1.710 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.471 5.044 2.375 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.492 6.338 4.482 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.271 7.418 3.839 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.704 7.114 2.135 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.207 8.794 4.935 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.982 10.336 4.558 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.689 9.196 1.757 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.342 10.557 2.828 1.00 36.39 H new ATOM 680 N LEU A 43 -2.544 3.217 2.378 1.00 4.65 N ATOM 681 CA LEU A 43 -1.375 2.448 2.925 1.00 3.51 C ATOM 682 C LEU A 43 -0.743 3.160 4.041 1.00 5.56 C ATOM 683 O LEU A 43 -0.500 4.384 3.953 1.00 4.19 O ATOM 684 CB LEU A 43 -0.346 2.207 1.815 1.00 3.74 C ATOM 685 CG LEU A 43 -0.879 1.712 0.498 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.330 1.240 -0.362 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.025 0.609 0.705 1.00 6.41 C ATOM 0 H LEU A 43 -2.292 3.916 1.680 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.744 1.492 3.298 1.00 3.51 H new ATOM 0 HB2 LEU A 43 0.188 3.140 1.637 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.385 1.486 2.179 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.381 2.511 -0.048 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.029 0.875 -1.325 1.00 9.55 H new ATOM 0 HD12 LEU A 43 1.011 2.076 -0.522 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.855 0.438 0.157 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.387 0.274 -0.267 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.618 -0.240 1.253 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.850 1.043 1.270 1.00 6.41 H new ATOM 699 N ILE A 44 -0.510 2.503 5.230 1.00 4.58 N ATOM 700 CA ILE A 44 -0.060 3.095 6.471 1.00 5.55 C ATOM 701 C ILE A 44 1.204 2.376 6.804 1.00 5.46 C ATOM 702 O ILE A 44 1.301 1.163 6.812 1.00 6.04 O ATOM 703 CB ILE A 44 -0.929 2.978 7.701 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.403 3.336 7.391 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.447 3.871 8.857 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.733 4.683 6.814 1.00 13.90 C ATOM 0 H ILE A 44 -0.649 1.496 5.315 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.017 4.166 6.272 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.855 1.935 8.009 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.783 2.583 6.701 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.966 3.231 8.318 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.109 3.746 9.714 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.567 3.587 9.138 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.457 4.914 8.540 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.810 4.760 6.662 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.407 5.463 7.502 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.222 4.805 5.859 1.00 13.90 H new ATOM 718 N PHE A 45 2.360 3.120 7.125 1.00 6.75 N ATOM 719 CA PHE A 45 3.624 2.529 7.558 1.00 4.70 C ATOM 720 C PHE A 45 4.329 3.570 8.392 1.00 6.34 C ATOM 721 O PHE A 45 4.618 4.750 8.091 1.00 5.45 O ATOM 722 CB PHE A 45 4.411 1.907 6.379 1.00 5.51 C ATOM 723 CG PHE A 45 5.802 1.500 6.831 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.942 0.284 7.529 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.906 2.374 6.664 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.171 -0.182 7.924 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.164 1.901 7.096 1.00 6.64 C ATOM 728 CZ PHE A 45 8.304 0.622 7.707 1.00 6.84 C ATOM 0 H PHE A 45 2.390 4.138 7.075 1.00 6.75 H new ATOM 0 HA PHE A 45 3.485 1.656 8.195 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.877 1.038 5.995 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.482 2.624 5.562 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.060 -0.296 7.759 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.790 3.355 6.227 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.266 -1.150 8.394 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.038 2.521 6.961 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.281 0.270 8.004 1.00 6.84 H new ATOM 738 N ALA A 46 4.740 3.179 9.605 1.00 6.53 N ATOM 739 CA ALA A 46 5.478 3.975 10.604 1.00 7.15 C ATOM 740 C ALA A 46 4.660 5.157 11.148 1.00 9.00 C ATOM 741 O ALA A 46 5.196 6.221 11.465 1.00 11.15 O ATOM 742 CB ALA A 46 6.901 4.294 10.197 1.00 8.99 C ATOM 0 H ALA A 46 4.555 2.234 9.941 1.00 6.53 H new ATOM 0 HA ALA A 46 5.614 3.330 11.472 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.381 4.881 10.980 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.454 3.366 10.049 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.895 4.865 9.268 1.00 8.99 H new ATOM 748 N GLY A 47 3.371 4.977 11.231 1.00 9.35 N ATOM 749 CA GLY A 47 2.343 5.952 11.508 1.00 11.68 C ATOM 750 C GLY A 47 2.178 6.997 10.419 1.00 11.14 C ATOM 751 O GLY A 47 1.409 7.959 10.475 1.00 13.93 O ATOM 0 H GLY A 47 2.970 4.049 11.093 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.394 5.435 11.649 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.575 6.454 12.447 1.00 11.68 H new ATOM 755 N LYS A 48 2.866 6.847 9.241 1.00 10.47 N ATOM 756 CA LYS A 48 2.688 7.734 8.070 1.00 8.82 C ATOM 757 C LYS A 48 1.601 7.159 7.095 1.00 7.68 C ATOM 758 O LYS A 48 1.554 5.971 6.808 1.00 6.47 O ATOM 759 CB LYS A 48 4.068 7.838 7.308 1.00 9.74 C ATOM 760 CG LYS A 48 5.194 8.349 8.185 1.00 14.14 C ATOM 761 CD LYS A 48 6.139 9.287 7.443 1.00 16.32 C ATOM 762 CE LYS A 48 7.225 9.866 8.242 1.00 20.04 C ATOM 763 NZ LYS A 48 8.090 10.833 7.438 1.00 23.92 N ATOM 0 H LYS A 48 3.553 6.108 9.090 1.00 10.47 H new ATOM 0 HA LYS A 48 2.359 8.716 8.411 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.336 6.856 6.918 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.954 8.501 6.450 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.772 8.870 9.044 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.760 7.502 8.573 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.579 8.742 6.608 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.552 10.102 7.018 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.802 10.389 9.100 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.850 9.064 8.634 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.842 11.214 8.047 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.517 10.330 6.634 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.501 11.614 7.085 1.00 23.92 H new ATOM 777 N GLN A 49 0.765 8.008 6.591 1.00 8.89 N ATOM 778 CA GLN A 49 -0.196 7.686 5.654 1.00 7.18 C ATOM 779 C GLN A 49 0.437 7.985 4.267 1.00 8.23 C ATOM 780 O GLN A 49 0.727 9.119 3.942 1.00 9.70 O ATOM 781 CB GLN A 49 -1.333 8.701 5.868 1.00 11.67 C ATOM 782 CG GLN A 49 -2.092 8.605 7.217 1.00 15.82 C ATOM 783 CD GLN A 49 -3.122 9.685 7.389 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.356 9.506 7.498 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.629 10.987 7.492 1.00 20.67 N ATOM 0 H GLN A 49 0.756 8.993 6.854 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.543 6.655 5.725 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.917 9.705 5.780 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.055 8.582 5.060 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.579 7.632 7.285 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.375 8.661 8.036 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.628 11.161 7.407 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.270 11.764 7.652 1.00 20.67 H new ATOM 794 N LEU A 50 0.730 6.969 3.421 1.00 6.51 N ATOM 795 CA LEU A 50 1.553 7.112 2.280 1.00 7.41 C ATOM 796 C LEU A 50 0.861 7.836 1.092 1.00 8.27 C ATOM 797 O LEU A 50 -0.298 7.525 0.720 1.00 8.34 O ATOM 798 CB LEU A 50 2.208 5.791 1.936 1.00 7.13 C ATOM 799 CG LEU A 50 2.683 4.888 3.083 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.187 3.551 2.609 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.772 5.484 3.973 1.00 9.11 C ATOM 0 H LEU A 50 0.374 6.022 3.549 1.00 6.51 H new ATOM 0 HA LEU A 50 2.360 7.801 2.531 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.503 5.218 1.334 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.069 6.003 1.303 1.00 7.13 H new ATOM 0 HG LEU A 50 1.774 4.777 3.673 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.508 2.959 3.466 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.389 3.026 2.084 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.030 3.698 1.933 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.038 4.769 4.752 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.652 5.708 3.370 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.404 6.401 4.433 1.00 9.11 H new ATOM 813 N GLU A 51 1.508 8.933 0.644 1.00 9.43 N ATOM 814 CA GLU A 51 1.214 9.668 -0.545 1.00 11.90 C ATOM 815 C GLU A 51 1.281 8.910 -1.873 1.00 11.49 C ATOM 816 O GLU A 51 2.312 8.351 -2.245 1.00 9.88 O ATOM 817 CB GLU A 51 2.070 10.905 -0.526 1.00 16.56 C ATOM 818 CG GLU A 51 1.868 11.968 0.629 1.00 26.06 C ATOM 819 CD GLU A 51 2.652 13.222 0.304 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.553 13.256 -0.613 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.461 14.254 0.977 1.00 33.44 O ATOM 0 H GLU A 51 2.295 9.332 1.156 1.00 9.43 H new ATOM 0 HA GLU A 51 0.152 9.911 -0.516 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.111 10.583 -0.497 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.923 11.420 -1.475 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.810 12.206 0.738 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.201 11.554 1.581 1.00 26.06 H new ATOM 828 N ASP A 52 0.175 8.931 -2.618 1.00 12.71 N ATOM 829 CA ASP A 52 0.052 8.277 -3.886 1.00 16.56 C ATOM 830 C ASP A 52 1.194 8.399 -4.896 1.00 15.83 C ATOM 831 O ASP A 52 1.594 7.440 -5.560 1.00 17.21 O ATOM 832 CB ASP A 52 -1.290 8.831 -4.512 1.00 21.05 C ATOM 833 CG ASP A 52 -2.430 8.232 -3.664 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.654 6.993 -3.715 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.214 9.008 -3.015 1.00 25.82 O ATOM 0 H ASP A 52 -0.673 9.421 -2.333 1.00 12.71 H new ATOM 0 HA ASP A 52 0.072 7.207 -3.680 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.313 9.920 -4.484 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.384 8.537 -5.557 1.00 21.05 H new ATOM 840 N GLY A 53 1.673 9.602 -5.089 1.00 15.00 N ATOM 841 CA GLY A 53 2.723 10.121 -5.952 1.00 11.77 C ATOM 842 C GLY A 53 4.186 9.892 -5.469 1.00 11.10 C ATOM 843 O GLY A 53 5.082 10.328 -6.209 1.00 11.25 O ATOM 0 H GLY A 53 1.269 10.372 -4.556 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.612 9.667 -6.937 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.567 11.193 -6.075 1.00 11.77 H new ATOM 847 N ARG A 54 4.404 9.262 -4.308 1.00 8.53 N ATOM 848 CA ARG A 54 5.784 8.992 -3.832 1.00 9.05 C ATOM 849 C ARG A 54 6.122 7.511 -4.004 1.00 8.96 C ATOM 850 O ARG A 54 5.308 6.594 -4.240 1.00 11.60 O ATOM 851 CB ARG A 54 5.785 9.292 -2.369 1.00 7.97 C ATOM 852 CG ARG A 54 5.406 10.763 -2.023 1.00 9.62 C ATOM 853 CD ARG A 54 6.449 11.718 -2.582 1.00 12.20 C ATOM 854 NE ARG A 54 5.962 13.079 -2.221 1.00 18.23 N ATOM 855 CZ ARG A 54 6.646 14.182 -2.571 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.772 14.096 -3.252 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.322 15.345 -2.087 1.00 23.38 N ATOM 0 H ARG A 54 3.666 8.932 -3.686 1.00 8.53 H new ATOM 0 HA ARG A 54 6.506 9.589 -4.389 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.086 8.621 -1.871 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.775 9.078 -1.965 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.426 11.001 -2.436 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.334 10.883 -0.942 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.432 11.524 -2.152 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.546 11.608 -3.662 1.00 12.20 H new ATOM 0 HE ARG A 54 5.092 13.176 -1.698 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.137 13.182 -3.521 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.278 14.943 -3.509 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.542 15.427 -1.435 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.848 16.175 -2.360 1.00 23.38 H new ATOM 871 N THR A 55 7.466 7.140 -3.845 1.00 9.05 N ATOM 872 CA THR A 55 7.942 5.745 -3.959 1.00 9.03 C ATOM 873 C THR A 55 8.116 4.979 -2.705 1.00 8.15 C ATOM 874 O THR A 55 8.306 5.471 -1.604 1.00 5.91 O ATOM 875 CB THR A 55 9.182 5.470 -4.840 1.00 11.15 C ATOM 876 OG1 THR A 55 10.325 6.098 -4.318 1.00 11.95 O ATOM 877 CG2 THR A 55 8.970 6.092 -6.249 1.00 11.71 C ATOM 0 H THR A 55 8.208 7.809 -3.639 1.00 9.05 H new ATOM 0 HA THR A 55 7.059 5.379 -4.483 1.00 9.03 H new ATOM 0 HB THR A 55 9.314 4.389 -4.877 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.972 5.418 -4.037 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.845 5.897 -6.868 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.090 5.648 -6.714 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.826 7.168 -6.154 1.00 11.71 H new ATOM 885 N LEU A 56 8.131 3.670 -2.744 1.00 6.91 N ATOM 886 CA LEU A 56 8.616 2.908 -1.639 1.00 8.29 C ATOM 887 C LEU A 56 9.961 3.263 -1.109 1.00 8.05 C ATOM 888 O LEU A 56 10.134 3.281 0.100 1.00 10.17 O ATOM 889 CB LEU A 56 8.682 1.456 -2.196 1.00 6.60 C ATOM 890 CG LEU A 56 7.305 0.820 -2.406 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.528 -0.490 -3.198 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.533 0.503 -1.101 1.00 8.64 C ATOM 0 H LEU A 56 7.809 3.115 -3.537 1.00 6.91 H new ATOM 0 HA LEU A 56 7.954 3.083 -0.791 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.219 1.463 -3.145 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.258 0.837 -1.508 1.00 6.60 H new ATOM 0 HG LEU A 56 6.686 1.543 -2.937 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.569 -0.978 -3.371 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.996 -0.261 -4.155 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.176 -1.155 -2.627 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.570 0.056 -1.347 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.113 -0.194 -0.495 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.372 1.424 -0.540 1.00 8.64 H new ATOM 904 N SER A 57 10.989 3.571 -1.957 1.00 8.92 N ATOM 905 CA SER A 57 12.299 4.196 -1.569 1.00 9.00 C ATOM 906 C SER A 57 12.277 5.575 -0.937 1.00 9.44 C ATOM 907 O SER A 57 13.113 5.830 -0.063 1.00 10.91 O ATOM 908 CB SER A 57 13.294 4.270 -2.780 1.00 10.32 C ATOM 909 OG SER A 57 12.674 4.854 -3.918 1.00 13.59 O ATOM 0 H SER A 57 10.930 3.387 -2.959 1.00 8.92 H new ATOM 0 HA SER A 57 12.620 3.508 -0.787 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.170 4.855 -2.499 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.645 3.268 -3.028 1.00 10.32 H new ATOM 0 HG SER A 57 12.258 4.152 -4.461 1.00 13.59 H new ATOM 915 N ASP A 58 11.274 6.453 -1.262 1.00 9.11 N ATOM 916 CA ASP A 58 10.940 7.715 -0.538 1.00 7.91 C ATOM 917 C ASP A 58 10.527 7.629 0.970 1.00 9.12 C ATOM 918 O ASP A 58 11.023 8.423 1.811 1.00 8.61 O ATOM 919 CB ASP A 58 9.837 8.503 -1.193 1.00 8.41 C ATOM 920 CG ASP A 58 10.379 9.102 -2.474 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.561 9.585 -2.605 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.580 9.225 -3.428 1.00 11.70 O ATOM 0 H ASP A 58 10.660 6.292 -2.061 1.00 9.11 H new ATOM 0 HA ASP A 58 11.918 8.192 -0.592 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.984 7.858 -1.406 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.484 9.289 -0.526 1.00 8.41 H new ATOM 927 N TYR A 59 9.787 6.546 1.319 1.00 7.97 N ATOM 928 CA TYR A 59 9.407 6.207 2.663 1.00 8.45 C ATOM 929 C TYR A 59 10.300 5.086 3.314 1.00 10.98 C ATOM 930 O TYR A 59 10.101 4.712 4.481 1.00 12.95 O ATOM 931 CB TYR A 59 7.940 5.581 2.654 1.00 7.94 C ATOM 932 CG TYR A 59 6.907 6.641 2.358 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.640 7.538 3.405 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.363 6.871 1.097 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.676 8.511 3.258 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.331 7.830 0.931 1.00 6.52 C ATOM 937 CZ TYR A 59 5.112 8.705 2.026 1.00 6.76 C ATOM 938 OH TYR A 59 4.064 9.663 1.819 1.00 7.63 O ATOM 0 H TYR A 59 9.440 5.879 0.630 1.00 7.97 H new ATOM 0 HA TYR A 59 9.501 7.135 3.226 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.882 4.791 1.906 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.730 5.122 3.620 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.193 7.465 4.330 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.727 6.318 0.244 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.370 9.112 4.102 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.747 7.890 0.025 1.00 6.52 H new ATOM 0 HH TYR A 59 4.407 10.414 1.291 1.00 7.63 H new ATOM 948 N ASN A 60 11.281 4.691 2.506 1.00 12.38 N ATOM 949 CA ASN A 60 12.413 3.901 2.939 1.00 13.94 C ATOM 950 C ASN A 60 11.963 2.547 3.376 1.00 14.16 C ATOM 951 O ASN A 60 12.444 1.938 4.365 1.00 14.26 O ATOM 952 CB ASN A 60 13.332 4.635 3.996 1.00 19.23 C ATOM 953 CG ASN A 60 14.086 5.764 3.332 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.703 6.895 3.351 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.198 5.456 2.604 1.00 24.09 N ATOM 0 H ASN A 60 11.304 4.920 1.512 1.00 12.38 H new ATOM 0 HA ASN A 60 13.067 3.767 2.078 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.722 5.024 4.811 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.035 3.926 4.434 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.688 6.186 2.087 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.539 4.495 2.576 1.00 24.09 H new ATOM 962 N ILE A 61 10.992 1.985 2.659 1.00 11.08 N ATOM 963 CA ILE A 61 10.447 0.674 2.909 1.00 11.78 C ATOM 964 C ILE A 61 11.368 -0.399 2.443 1.00 13.74 C ATOM 965 O ILE A 61 11.717 -0.541 1.274 1.00 14.60 O ATOM 966 CB ILE A 61 9.045 0.579 2.278 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.055 1.465 3.064 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.451 -0.833 2.248 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.742 1.858 2.431 1.00 11.42 C ATOM 0 H ILE A 61 10.556 2.454 1.865 1.00 11.08 H new ATOM 0 HA ILE A 61 10.343 0.522 3.983 1.00 11.78 H new ATOM 0 HB ILE A 61 9.181 0.907 1.247 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.826 0.950 3.997 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.578 2.384 3.327 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.464 -0.803 1.787 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.102 -1.489 1.670 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.364 -1.213 3.266 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.175 2.479 3.125 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.933 2.418 1.515 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.169 0.961 2.195 1.00 11.42 H new ATOM 981 N GLN A 62 11.789 -1.277 3.407 1.00 13.97 N ATOM 982 CA GLN A 62 12.698 -2.388 3.149 1.00 15.52 C ATOM 983 C GLN A 62 12.006 -3.665 2.602 1.00 13.94 C ATOM 984 O GLN A 62 10.794 -3.852 2.676 1.00 12.15 O ATOM 985 CB GLN A 62 13.443 -2.744 4.435 1.00 19.53 C ATOM 986 CG GLN A 62 14.690 -3.631 4.324 1.00 26.38 C ATOM 987 CD GLN A 62 15.322 -3.842 5.620 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.342 -4.999 6.079 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.909 -2.811 6.240 1.00 32.71 N ATOM 0 H GLN A 62 11.493 -1.213 4.381 1.00 13.97 H new ATOM 0 HA GLN A 62 13.378 -2.044 2.370 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.738 -1.813 4.919 1.00 19.53 H new ATOM 0 HB3 GLN A 62 12.739 -3.241 5.102 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.414 -4.594 3.893 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.404 -3.170 3.642 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.869 -1.878 5.829 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.397 -2.958 7.124 1.00 32.71 H new ATOM 998 N LYS A 63 12.778 -4.518 1.868 1.00 11.73 N ATOM 999 CA LYS A 63 12.311 -5.810 1.371 1.00 11.97 C ATOM 1000 C LYS A 63 11.723 -6.640 2.593 1.00 10.41 C ATOM 1001 O LYS A 63 12.253 -6.667 3.713 1.00 9.59 O ATOM 1002 CB LYS A 63 13.460 -6.544 0.547 1.00 13.73 C ATOM 1003 CG LYS A 63 14.669 -6.968 1.390 1.00 16.98 C ATOM 1004 CD LYS A 63 14.738 -8.278 2.167 1.00 20.19 C ATOM 1005 CE LYS A 63 14.979 -9.605 1.392 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.088 -10.799 2.280 1.00 25.97 N ATOM 0 H LYS A 63 13.744 -4.311 1.613 1.00 11.73 H new ATOM 0 HA LYS A 63 11.498 -5.691 0.655 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.039 -7.427 0.067 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.801 -5.881 -0.248 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.527 -6.965 0.718 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.830 -6.172 2.117 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.533 -8.180 2.906 1.00 20.19 H new ATOM 0 HD3 LYS A 63 13.803 -8.384 2.717 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.162 -9.759 0.687 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.893 -9.513 0.805 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.462 -11.603 1.737 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.730 -10.586 3.070 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.148 -11.041 2.653 1.00 25.97 H new ATOM 1020 N GLU A 64 10.558 -7.265 2.393 1.00 10.04 N ATOM 1021 CA GLU A 64 9.819 -8.104 3.339 1.00 10.94 C ATOM 1022 C GLU A 64 9.344 -7.291 4.547 1.00 9.74 C ATOM 1023 O GLU A 64 9.367 -7.759 5.671 1.00 9.42 O ATOM 1024 CB GLU A 64 10.625 -9.408 3.662 1.00 18.31 C ATOM 1025 CG GLU A 64 10.712 -10.359 2.403 1.00 24.16 C ATOM 1026 CD GLU A 64 11.445 -11.662 2.652 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.689 -11.636 2.661 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.730 -12.683 2.911 1.00 32.61 O ATOM 0 H GLU A 64 10.072 -7.191 1.499 1.00 10.04 H new ATOM 0 HA GLU A 64 8.894 -8.458 2.884 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.630 -9.144 3.991 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.148 -9.937 4.487 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.701 -10.584 2.062 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.210 -9.825 1.593 1.00 24.16 H new ATOM 1035 N SER A 65 8.845 -6.114 4.288 1.00 6.85 N ATOM 1036 CA SER A 65 8.294 -5.261 5.274 1.00 6.90 C ATOM 1037 C SER A 65 6.798 -5.331 5.268 1.00 4.72 C ATOM 1038 O SER A 65 6.161 -5.653 4.256 1.00 3.91 O ATOM 1039 CB SER A 65 8.745 -3.786 5.149 1.00 7.28 C ATOM 1040 OG SER A 65 8.317 -2.901 6.160 1.00 10.56 O ATOM 0 H SER A 65 8.815 -5.720 3.348 1.00 6.85 H new ATOM 0 HA SER A 65 8.681 -5.630 6.224 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.834 -3.766 5.119 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.392 -3.403 4.191 1.00 7.28 H new ATOM 0 HG SER A 65 8.663 -2.003 5.976 1.00 10.56 H new ATOM 1046 N THR A 66 6.210 -4.933 6.415 1.00 4.48 N ATOM 1047 CA THR A 66 4.739 -5.120 6.660 1.00 3.80 C ATOM 1048 C THR A 66 4.046 -3.712 6.679 1.00 4.60 C ATOM 1049 O THR A 66 4.317 -2.864 7.531 1.00 5.33 O ATOM 1050 CB THR A 66 4.403 -5.865 7.896 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.018 -7.173 7.852 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.899 -6.044 8.023 1.00 3.40 C ATOM 0 H THR A 66 6.710 -4.486 7.183 1.00 4.48 H new ATOM 0 HA THR A 66 4.368 -5.740 5.844 1.00 3.80 H new ATOM 0 HB THR A 66 4.772 -5.297 8.750 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.798 -7.666 8.670 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.674 -6.593 8.937 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.418 -5.067 8.059 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.525 -6.601 7.164 1.00 3.40 H new ATOM 1060 N LEU A 67 3.143 -3.491 5.666 1.00 4.17 N ATOM 1061 CA LEU A 67 2.499 -2.236 5.429 1.00 3.85 C ATOM 1062 C LEU A 67 1.030 -2.364 5.644 1.00 3.80 C ATOM 1063 O LEU A 67 0.254 -3.046 4.979 1.00 5.54 O ATOM 1064 CB LEU A 67 2.740 -1.727 3.913 1.00 7.18 C ATOM 1065 CG LEU A 67 4.166 -1.770 3.307 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.100 -1.397 1.781 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.123 -0.892 4.093 1.00 11.66 C ATOM 0 H LEU A 67 2.867 -4.217 5.005 1.00 4.17 H new ATOM 0 HA LEU A 67 2.928 -1.516 6.126 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.092 -2.317 3.264 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.393 -0.695 3.857 1.00 7.18 H new ATOM 0 HG LEU A 67 4.564 -2.782 3.381 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.103 -1.427 1.355 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.463 -2.111 1.259 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.689 -0.394 1.669 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.115 -0.943 3.644 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.769 0.139 4.075 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.173 -1.241 5.124 1.00 11.66 H new ATOM 1079 N HIS A 68 0.420 -1.648 6.616 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.031 -1.767 6.838 1.00 4.17 C ATOM 1081 C HIS A 68 -1.897 -1.061 5.765 1.00 5.32 C ATOM 1082 O HIS A 68 -1.526 -0.074 5.097 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.327 -1.272 8.245 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.768 -1.206 8.644 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -3.662 -2.251 8.637 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.379 -0.214 9.351 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -4.831 -1.810 9.225 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.634 -0.590 9.696 1.00 16.30 N ATOM 0 H HIS A 68 0.898 -1.000 7.242 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.313 -2.815 6.738 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.808 -1.921 8.950 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -0.898 -0.276 8.353 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -3.492 -3.185 8.264 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.928 0.735 9.600 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -5.753 -2.369 9.290 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.116 -1.608 5.452 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.927 -1.168 4.346 1.00 3.97 C ATOM 1098 C LEU A 69 -5.264 -0.863 4.988 1.00 5.07 C ATOM 1099 O LEU A 69 -5.948 -1.735 5.585 1.00 4.34 O ATOM 1100 CB LEU A 69 -3.999 -2.238 3.260 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.288 -2.239 2.332 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.411 -1.100 1.355 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.351 -3.517 1.557 1.00 9.96 C ATOM 0 H LEU A 69 -3.535 -2.370 5.985 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.530 -0.296 3.826 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.122 -2.132 2.621 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -3.927 -3.214 3.741 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.115 -2.122 3.033 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.330 -1.212 0.780 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.436 -0.155 1.898 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.556 -1.107 0.678 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.237 -3.514 0.922 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.460 -3.611 0.937 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.403 -4.359 2.247 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.704 0.384 4.949 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.029 0.773 5.412 1.00 6.26 C ATOM 1117 C VAL A 70 -7.969 0.802 4.158 1.00 9.22 C ATOM 1118 O VAL A 70 -7.607 1.166 3.046 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.020 2.164 6.052 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.417 2.734 6.506 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.008 2.170 7.258 1.00 8.54 C ATOM 0 H VAL A 70 -5.149 1.162 4.593 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.369 0.063 6.166 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.708 2.842 5.258 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.282 3.723 6.943 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.078 2.806 5.643 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.859 2.067 7.246 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.997 3.158 7.718 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.317 1.429 7.996 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.009 1.927 6.896 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.226 0.388 4.334 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.155 0.121 3.274 1.00 16.06 C ATOM 1133 C LEU A 71 -11.399 0.922 3.583 1.00 18.09 C ATOM 1134 O LEU A 71 -11.976 0.775 4.656 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.557 -1.426 3.133 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.672 -2.362 2.356 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -8.884 -1.641 1.303 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.738 -3.131 3.283 1.00 19.57 C ATOM 0 H LEU A 71 -9.623 0.229 5.260 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.685 0.395 2.330 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.652 -1.830 4.141 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.548 -1.464 2.680 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.326 -3.074 1.853 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.258 -2.353 0.765 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.567 -1.158 0.604 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -8.253 -0.887 1.773 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.110 -3.800 2.694 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -8.108 -2.429 3.829 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.327 -3.715 3.990 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.836 1.863 2.781 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.939 2.701 3.110 1.00 25.83 C ATOM 1152 C ARG A 72 -14.071 2.460 2.141 1.00 27.74 C ATOM 1153 O ARG A 72 -13.904 2.289 0.953 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.557 4.181 3.076 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.668 4.652 4.254 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.338 6.154 4.274 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.537 6.428 5.542 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.411 7.615 6.220 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.687 8.794 5.650 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.974 7.651 7.490 1.00 35.02 N ATOM 0 H ARG A 72 -11.422 2.062 1.870 1.00 21.47 H new ATOM 0 HA ARG A 72 -13.250 2.452 4.125 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.035 4.385 2.141 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -13.470 4.777 3.068 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.167 4.395 5.188 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.733 4.092 4.227 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.764 6.433 3.390 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.252 6.748 4.261 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.033 5.632 5.934 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.003 8.830 4.681 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.582 9.656 6.185 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.728 6.785 7.969 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.888 8.544 7.975 1.00 35.02 H new ATOM 1174 N LEU A 73 -15.261 2.402 2.678 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.493 2.392 1.937 1.00 30.76 C ATOM 1176 C LEU A 73 -17.379 3.422 2.532 1.00 32.18 C ATOM 1177 O LEU A 73 -16.947 4.145 3.428 1.00 32.31 O ATOM 1178 CB LEU A 73 -17.189 0.971 2.012 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.327 -0.271 1.511 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.095 -1.586 1.754 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.991 -0.174 -0.030 1.00 29.11 C ATOM 0 H LEU A 73 -15.403 2.359 3.687 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.297 2.605 0.886 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -17.481 0.788 3.046 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -18.106 1.009 1.424 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.396 -0.258 2.078 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.495 -2.427 1.407 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.296 -1.698 2.819 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.038 -1.563 1.207 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.402 -1.041 -0.329 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.918 -0.149 -0.604 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.421 0.735 -0.222 1.00 29.11 H new ATOM 1193 N ARG A 74 -18.641 3.535 2.085 1.00 33.82 N ATOM 1194 CA ARG A 74 -19.624 4.353 2.764 1.00 35.33 C ATOM 1195 C ARG A 74 -20.065 3.892 4.148 1.00 36.22 C ATOM 1196 O ARG A 74 -20.403 4.733 5.024 1.00 36.70 O ATOM 1197 CB ARG A 74 -20.913 4.460 1.865 1.00 36.91 C ATOM 1198 CG ARG A 74 -20.574 5.002 0.434 1.00 38.62 C ATOM 1199 CD ARG A 74 -20.018 6.447 0.416 1.00 39.75 C ATOM 1200 NE ARG A 74 -19.684 6.733 -1.076 1.00 41.13 N ATOM 1201 CZ ARG A 74 -19.070 7.875 -1.489 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.991 8.956 -0.726 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.529 7.942 -2.693 1.00 41.93 N ATOM 0 H ARG A 74 -18.992 3.063 1.252 1.00 33.82 H new ATOM 0 HA ARG A 74 -19.114 5.304 2.920 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -21.382 3.480 1.782 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -21.637 5.120 2.343 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -19.844 4.338 -0.030 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -21.474 4.964 -0.179 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.751 7.157 0.799 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.131 6.536 1.043 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.936 6.034 -1.775 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -19.399 8.952 0.209 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -18.522 9.792 -1.073 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.571 7.136 -3.316 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.070 8.800 -2.999 1.00 41.93 H new ATOM 1217 N GLY A 75 -20.056 2.549 4.429 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.371 1.998 5.773 1.00 36.07 C ATOM 1219 C GLY A 75 -19.193 1.926 6.694 1.00 36.16 C ATOM 1220 O GLY A 75 -19.386 1.551 7.864 1.00 36.26 O ATOM 0 H GLY A 75 -19.833 1.835 3.735 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.143 2.614 6.235 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.789 0.998 5.655 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.938 2.136 6.226 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.832 2.154 7.188 1.00 36.19 C ATOM 1226 C GLY A 76 -15.552 2.672 6.528 1.00 36.20 C ATOM 1227 O GLY A 76 -14.832 3.523 7.130 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.266 2.202 5.393 1.00 0.00 O ATOM 0 H GLY A 76 -17.684 2.286 5.249 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.092 2.787 8.037 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.666 1.150 7.578 1.00 36.19 H new TER 1232 GLY A 76