USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 133:sc= 1.17 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.11 USER MOD Set 2.1: A 22 THR OG1 : rot -43:sc= 0.223 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.1 K(o=1.3,f=-5.4!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 149:sc= 1.3 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0844) USER MOD Single : A 1 MET N :NH3+ -161:sc= 2.54 (180deg=2.09) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 7 THR OG1 : rot 180:sc=-0.000931 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= 0.881 (180deg=0.577) USER MOD Single : A 14 THR OG1 : rot -70:sc= 1.26 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.31 (180deg=1.28) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.6) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 41 GLN : amide:sc= 0.377 K(o=0.38,f=-1.6) 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 90:sc= 0.225 USER MOD Single : A 60 ASN : amide:sc= -0.034 X(o=-0.034,f=-0.034) USER MOD Single : A 62 GLN : amide:sc= 0.0187 X(o=0.019,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 94:sc= 1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.817 -6.728 -5.067 1.00 9.67 N ATOM 2 CA MET A 1 11.625 -6.579 -3.496 1.00 10.38 C ATOM 3 C MET A 1 10.307 -7.071 -2.967 1.00 9.62 C ATOM 4 O MET A 1 9.278 -6.749 -3.561 1.00 9.62 O ATOM 5 CB MET A 1 11.909 -5.034 -3.067 1.00 13.77 C ATOM 6 CG MET A 1 11.811 -4.702 -1.602 1.00 16.29 C ATOM 7 SD MET A 1 12.154 -3.047 -1.146 1.00 17.17 S ATOM 8 CE MET A 1 10.651 -2.295 -1.665 1.00 16.11 C ATOM 0 H1 MET A 1 12.829 -6.675 -5.300 1.00 9.67 H new ATOM 0 H2 MET A 1 11.438 -7.645 -5.378 1.00 9.67 H new ATOM 0 H3 MET A 1 11.310 -5.961 -5.553 1.00 9.67 H new ATOM 0 HA MET A 1 12.354 -7.241 -3.029 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.909 -4.766 -3.409 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.207 -4.398 -3.606 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.804 -4.946 -1.264 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.496 -5.353 -1.059 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.626 -1.259 -1.326 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.587 -2.322 -2.753 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.807 -2.837 -1.238 1.00 16.11 H new ATOM 20 N GLN A 2 10.351 -7.831 -1.896 1.00 9.27 N ATOM 21 CA GLN A 2 9.069 -8.329 -1.327 1.00 9.07 C ATOM 22 C GLN A 2 8.523 -7.240 -0.323 1.00 8.72 C ATOM 23 O GLN A 2 9.276 -6.643 0.433 1.00 8.22 O ATOM 24 CB GLN A 2 9.501 -9.668 -0.602 1.00 14.46 C ATOM 25 CG GLN A 2 8.384 -10.401 0.078 1.00 17.01 C ATOM 26 CD GLN A 2 8.751 -11.868 0.428 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.081 -12.266 1.536 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.645 -12.770 -0.561 1.00 19.49 N ATOM 0 H GLN A 2 11.198 -8.119 -1.406 1.00 9.27 H new ATOM 0 HA GLN A 2 8.271 -8.510 -2.047 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.959 -10.331 -1.336 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.267 -9.434 0.137 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.112 -9.872 0.991 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.506 -10.395 -0.568 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.372 -12.471 -1.497 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.838 -13.754 -0.376 1.00 19.49 H new ATOM 37 N ILE A 3 7.171 -7.146 -0.183 1.00 5.87 N ATOM 38 CA ILE A 3 6.549 -6.504 0.946 1.00 5.07 C ATOM 39 C ILE A 3 5.279 -7.344 1.254 1.00 4.01 C ATOM 40 O ILE A 3 4.984 -8.306 0.584 1.00 4.61 O ATOM 41 CB ILE A 3 6.195 -5.046 0.796 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.260 -4.692 -0.407 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.444 -4.174 0.788 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.710 -3.242 -0.439 1.00 10.83 C ATOM 0 H ILE A 3 6.509 -7.521 -0.862 1.00 5.87 H new ATOM 0 HA ILE A 3 7.280 -6.481 1.754 1.00 5.07 H new ATOM 0 HB ILE A 3 5.596 -4.826 1.680 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.808 -4.872 -1.332 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.414 -5.380 -0.399 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.157 -3.128 0.679 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.986 -4.305 1.725 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.085 -4.463 -0.045 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.076 -3.113 -1.316 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.126 -3.054 0.462 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.541 -2.539 -0.486 1.00 10.83 H new ATOM 56 N PHE A 4 4.544 -6.946 2.322 1.00 4.55 N ATOM 57 CA PHE A 4 3.390 -7.591 2.945 1.00 4.68 C ATOM 58 C PHE A 4 2.415 -6.506 3.245 1.00 5.30 C ATOM 59 O PHE A 4 2.869 -5.426 3.527 1.00 5.58 O ATOM 60 CB PHE A 4 3.776 -8.398 4.315 1.00 4.83 C ATOM 61 CG PHE A 4 4.504 -9.645 3.865 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.870 -10.809 3.343 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.890 -9.565 4.066 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.688 -12.008 3.282 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.633 -10.742 4.045 1.00 10.61 C ATOM 66 CZ PHE A 4 6.071 -11.968 3.675 1.00 8.90 C ATOM 0 H PHE A 4 4.778 -6.079 2.806 1.00 4.55 H new ATOM 0 HA PHE A 4 2.980 -8.340 2.267 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.406 -7.789 4.963 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.882 -8.651 4.885 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.842 -10.801 3.012 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.370 -8.612 4.233 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.255 -12.936 2.939 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.676 -10.707 4.323 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.665 -12.870 3.684 1.00 8.90 H new ATOM 76 N VAL A 5 1.115 -6.767 2.968 1.00 4.44 N ATOM 77 CA VAL A 5 0.103 -5.848 3.276 1.00 3.87 C ATOM 78 C VAL A 5 -0.821 -6.626 4.130 1.00 4.93 C ATOM 79 O VAL A 5 -1.062 -7.785 3.905 1.00 6.84 O ATOM 80 CB VAL A 5 -0.649 -5.366 2.063 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.824 -4.443 2.484 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.284 -4.589 1.177 1.00 9.13 C ATOM 0 H VAL A 5 0.786 -7.626 2.528 1.00 4.44 H new ATOM 0 HA VAL A 5 0.520 -4.954 3.740 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.046 -6.231 1.531 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.357 -4.104 1.596 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.508 -4.996 3.128 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.434 -3.581 3.024 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.257 -4.238 0.298 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.679 -3.734 1.725 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.108 -5.231 0.864 1.00 9.13 H new ATOM 92 N LYS A 6 -1.340 -5.976 5.193 1.00 6.04 N ATOM 93 CA LYS A 6 -2.121 -6.608 6.260 1.00 6.12 C ATOM 94 C LYS A 6 -3.476 -6.011 6.219 1.00 6.57 C ATOM 95 O LYS A 6 -3.597 -4.788 6.087 1.00 5.76 O ATOM 96 CB LYS A 6 -1.365 -6.255 7.559 1.00 7.45 C ATOM 97 CG LYS A 6 -1.885 -6.933 8.835 1.00 11.12 C ATOM 98 CD LYS A 6 -1.558 -8.446 8.893 1.00 14.54 C ATOM 99 CE LYS A 6 -0.154 -8.865 9.506 1.00 18.84 C ATOM 100 NZ LYS A 6 0.017 -10.323 9.403 1.00 20.55 N ATOM 0 H LYS A 6 -1.221 -4.972 5.330 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.231 -7.689 6.173 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.315 -6.520 7.431 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.407 -5.175 7.700 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.451 -6.440 9.705 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.965 -6.798 8.898 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.339 -8.938 9.472 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.615 -8.843 7.879 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.651 -8.356 8.976 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.095 -8.555 10.549 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.026 -10.547 9.291 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.345 -10.777 10.266 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.510 -10.677 8.579 1.00 20.55 H new ATOM 114 N THR A 7 -4.535 -6.818 6.185 1.00 7.41 N ATOM 115 CA THR A 7 -5.900 -6.221 6.236 1.00 7.48 C ATOM 116 C THR A 7 -6.463 -6.139 7.661 1.00 8.75 C ATOM 117 O THR A 7 -5.940 -6.647 8.664 1.00 8.58 O ATOM 118 CB THR A 7 -6.895 -6.892 5.310 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.298 -8.141 5.848 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.300 -7.143 3.956 1.00 9.17 C ATOM 0 H THR A 7 -4.499 -7.836 6.126 1.00 7.41 H new ATOM 0 HA THR A 7 -5.761 -5.203 5.871 1.00 7.48 H new ATOM 0 HB THR A 7 -7.748 -6.221 5.213 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.942 -8.565 5.243 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.040 -7.625 3.317 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.998 -6.195 3.510 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.429 -7.791 4.056 1.00 9.17 H new ATOM 128 N LEU A 8 -7.409 -5.293 7.840 1.00 9.84 N ATOM 129 CA LEU A 8 -8.157 -5.093 9.070 1.00 14.15 C ATOM 130 C LEU A 8 -8.927 -6.277 9.556 1.00 17.37 C ATOM 131 O LEU A 8 -8.912 -6.597 10.725 1.00 17.01 O ATOM 132 CB LEU A 8 -9.166 -3.842 8.844 1.00 16.63 C ATOM 133 CG LEU A 8 -8.495 -2.429 8.771 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.552 -1.458 8.229 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.037 -1.891 10.111 1.00 18.59 C ATOM 0 H LEU A 8 -7.718 -4.670 7.094 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.420 -4.904 9.851 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.719 -4.009 7.920 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.894 -3.836 9.655 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.609 -2.522 8.143 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.126 -0.457 8.161 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.872 -1.784 7.239 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.410 -1.442 8.901 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.584 -0.909 9.973 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.893 -1.805 10.780 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.304 -2.571 10.545 1.00 18.59 H new ATOM 147 N THR A 9 -9.621 -7.062 8.678 1.00 18.33 N ATOM 148 CA THR A 9 -10.530 -8.032 9.111 1.00 19.24 C ATOM 149 C THR A 9 -9.844 -9.395 9.162 1.00 19.48 C ATOM 150 O THR A 9 -10.419 -10.412 9.533 1.00 23.14 O ATOM 151 CB THR A 9 -11.746 -8.152 8.239 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.407 -7.804 6.932 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.765 -7.075 8.759 1.00 19.70 C ATOM 0 H THR A 9 -9.528 -6.998 7.664 1.00 18.33 H new ATOM 0 HA THR A 9 -10.863 -7.711 10.098 1.00 19.24 H new ATOM 0 HB THR A 9 -12.150 -9.164 8.264 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.197 -7.882 6.357 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.674 -7.115 8.159 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.009 -7.278 9.802 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.320 -6.083 8.677 1.00 19.70 H new ATOM 161 N GLY A 10 -8.556 -9.386 8.873 1.00 19.43 N ATOM 162 CA GLY A 10 -7.658 -10.496 9.010 1.00 18.74 C ATOM 163 C GLY A 10 -7.323 -11.120 7.717 1.00 17.62 C ATOM 164 O GLY A 10 -8.069 -11.906 7.132 1.00 19.74 O ATOM 0 H GLY A 10 -8.091 -8.551 8.516 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.742 -10.159 9.494 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.108 -11.243 9.664 1.00 18.74 H new ATOM 168 N LYS A 11 -6.118 -10.806 7.192 1.00 13.56 N ATOM 169 CA LYS A 11 -5.458 -11.361 5.959 1.00 11.91 C ATOM 170 C LYS A 11 -4.058 -10.717 5.864 1.00 10.18 C ATOM 171 O LYS A 11 -3.824 -9.591 6.318 1.00 9.10 O ATOM 172 CB LYS A 11 -6.294 -11.009 4.657 1.00 13.43 C ATOM 173 CG LYS A 11 -5.920 -11.801 3.436 1.00 16.69 C ATOM 174 CD LYS A 11 -7.036 -11.802 2.354 1.00 17.92 C ATOM 175 CE LYS A 11 -6.586 -12.612 1.135 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.470 -12.403 0.055 1.00 21.93 N ATOM 0 H LYS A 11 -5.526 -10.108 7.642 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.395 -12.447 6.026 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.352 -11.169 4.867 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.169 -9.949 4.438 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.006 -11.390 3.008 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.702 -12.828 3.728 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.952 -12.227 2.765 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.265 -10.779 2.056 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.576 -12.320 0.849 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.552 -13.672 1.386 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.397 -13.197 -0.612 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.445 -12.339 0.412 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.221 -11.518 -0.431 1.00 21.93 H new ATOM 190 N THR A 12 -3.104 -11.450 5.245 1.00 9.63 N ATOM 191 CA THR A 12 -1.828 -10.842 4.948 1.00 9.85 C ATOM 192 C THR A 12 -1.746 -11.132 3.476 1.00 11.66 C ATOM 193 O THR A 12 -2.045 -12.181 2.976 1.00 12.33 O ATOM 194 CB THR A 12 -0.650 -11.446 5.671 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.951 -11.417 7.068 1.00 10.91 O ATOM 196 CG2 THR A 12 0.662 -10.658 5.383 1.00 9.63 C ATOM 0 H THR A 12 -3.204 -12.424 4.959 1.00 9.63 H new ATOM 0 HA THR A 12 -1.779 -9.796 5.252 1.00 9.85 H new ATOM 0 HB THR A 12 -0.486 -12.467 5.326 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.646 -12.249 7.486 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.490 -11.121 5.920 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.869 -10.675 4.313 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.547 -9.626 5.714 1.00 9.63 H new ATOM 204 N ILE A 13 -1.328 -10.112 2.674 1.00 10.42 N ATOM 205 CA ILE A 13 -1.262 -10.184 1.247 1.00 11.84 C ATOM 206 C ILE A 13 0.189 -9.850 0.799 1.00 10.55 C ATOM 207 O ILE A 13 0.729 -8.822 1.250 1.00 11.92 O ATOM 208 CB ILE A 13 -2.294 -9.225 0.567 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.697 -9.744 0.842 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.877 -8.962 -0.920 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.795 -8.665 0.701 1.00 16.46 C ATOM 0 H ILE A 13 -1.028 -9.210 3.044 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.523 -11.194 0.931 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.298 -8.222 0.993 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.914 -10.563 0.156 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.732 -10.156 1.851 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.600 -8.294 -1.388 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.889 -8.503 -0.945 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.852 -9.907 -1.463 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.769 -9.107 0.911 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.603 -7.857 1.407 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.788 -8.269 -0.315 1.00 16.46 H new ATOM 223 N THR A 14 0.881 -10.740 0.041 1.00 9.39 N ATOM 224 CA THR A 14 2.354 -10.690 -0.340 1.00 9.63 C ATOM 225 C THR A 14 2.580 -10.123 -1.742 1.00 11.20 C ATOM 226 O THR A 14 2.136 -10.751 -2.689 1.00 11.63 O ATOM 227 CB THR A 14 3.122 -12.030 -0.322 1.00 10.38 C ATOM 228 OG1 THR A 14 2.851 -12.719 0.826 1.00 16.30 O ATOM 229 CG2 THR A 14 4.704 -11.906 -0.355 1.00 11.66 C ATOM 0 H THR A 14 0.421 -11.562 -0.351 1.00 9.39 H new ATOM 0 HA THR A 14 2.744 -10.050 0.452 1.00 9.63 H new ATOM 0 HB THR A 14 2.783 -12.527 -1.231 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.264 -12.261 1.588 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.147 -12.902 -0.339 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.009 -11.387 -1.264 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.043 -11.344 0.515 1.00 11.66 H new ATOM 237 N LEU A 15 3.241 -8.980 -1.915 1.00 8.29 N ATOM 238 CA LEU A 15 3.543 -8.447 -3.218 1.00 9.03 C ATOM 239 C LEU A 15 5.022 -8.604 -3.524 1.00 8.59 C ATOM 240 O LEU A 15 5.773 -9.097 -2.666 1.00 7.79 O ATOM 241 CB LEU A 15 3.162 -7.000 -3.517 1.00 11.08 C ATOM 242 CG LEU A 15 1.733 -6.610 -3.070 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.544 -5.091 -3.297 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.610 -7.415 -3.596 1.00 15.27 C ATOM 0 H LEU A 15 3.579 -8.404 -1.144 1.00 8.29 H new ATOM 0 HA LEU A 15 2.894 -9.045 -3.858 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.876 -6.340 -3.025 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.254 -6.827 -4.589 1.00 11.08 H new ATOM 0 HG LEU A 15 1.677 -6.858 -2.010 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.541 -4.799 -2.987 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.280 -4.541 -2.710 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.678 -4.862 -4.354 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.330 -7.030 -3.201 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.598 -7.355 -4.684 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.733 -8.454 -3.291 1.00 15.27 H new ATOM 256 N GLU A 16 5.389 -8.330 -4.806 1.00 11.04 N ATOM 257 CA GLU A 16 6.729 -8.297 -5.249 1.00 11.50 C ATOM 258 C GLU A 16 6.781 -6.974 -6.083 1.00 10.13 C ATOM 259 O GLU A 16 5.969 -6.832 -6.983 1.00 9.83 O ATOM 260 CB GLU A 16 7.046 -9.463 -6.207 1.00 17.22 C ATOM 261 CG GLU A 16 8.418 -9.630 -6.852 1.00 23.33 C ATOM 262 CD GLU A 16 9.528 -9.584 -5.833 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.529 -10.307 -4.770 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.537 -8.775 -6.117 1.00 28.90 O ATOM 0 H GLU A 16 4.714 -8.127 -5.543 1.00 11.04 H new ATOM 0 HA GLU A 16 7.431 -8.362 -4.418 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.842 -10.383 -5.660 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.322 -9.408 -7.020 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.455 -10.579 -7.386 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.570 -8.843 -7.590 1.00 23.33 H new ATOM 271 N VAL A 17 7.641 -6.060 -5.686 1.00 8.99 N ATOM 272 CA VAL A 17 7.645 -4.709 -6.143 1.00 8.85 C ATOM 273 C VAL A 17 9.061 -4.274 -6.514 1.00 8.04 C ATOM 274 O VAL A 17 10.039 -4.820 -5.974 1.00 8.99 O ATOM 275 CB VAL A 17 7.019 -3.680 -5.221 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.499 -3.811 -5.216 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.569 -3.833 -3.767 1.00 10.54 C ATOM 0 H VAL A 17 8.379 -6.257 -5.011 1.00 8.99 H new ATOM 0 HA VAL A 17 6.993 -4.729 -7.016 1.00 8.85 H new ATOM 0 HB VAL A 17 7.284 -2.691 -5.595 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.072 -3.063 -4.548 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.117 -3.657 -6.225 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.221 -4.807 -4.871 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.107 -3.085 -3.123 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.335 -4.829 -3.392 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.650 -3.691 -3.770 1.00 10.54 H new ATOM 287 N GLU A 18 9.300 -3.221 -7.289 1.00 7.29 N ATOM 288 CA GLU A 18 10.575 -2.615 -7.382 1.00 7.08 C ATOM 289 C GLU A 18 10.728 -1.623 -6.229 1.00 6.45 C ATOM 290 O GLU A 18 9.722 -1.370 -5.548 1.00 5.28 O ATOM 291 CB GLU A 18 10.914 -1.873 -8.668 1.00 10.28 C ATOM 292 CG GLU A 18 10.917 -2.751 -9.929 1.00 12.65 C ATOM 293 CD GLU A 18 11.969 -3.769 -9.745 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.179 -3.405 -9.633 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.691 -5.044 -9.841 1.00 14.33 O ATOM 0 H GLU A 18 8.588 -2.777 -7.868 1.00 7.29 H new ATOM 0 HA GLU A 18 11.265 -3.459 -7.353 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.196 -1.064 -8.806 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.896 -1.413 -8.559 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.945 -3.223 -10.072 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.113 -2.150 -10.817 1.00 12.65 H new ATOM 302 N PRO A 19 11.869 -1.084 -5.951 1.00 7.24 N ATOM 303 CA PRO A 19 12.007 0.057 -5.082 1.00 7.07 C ATOM 304 C PRO A 19 11.595 1.354 -5.908 1.00 6.65 C ATOM 305 O PRO A 19 11.107 2.347 -5.320 1.00 6.37 O ATOM 306 CB PRO A 19 13.470 0.095 -4.684 1.00 7.61 C ATOM 307 CG PRO A 19 13.859 -1.379 -4.750 1.00 8.16 C ATOM 308 CD PRO A 19 13.102 -1.904 -5.932 1.00 7.49 C ATOM 0 HA PRO A 19 11.377 0.008 -4.194 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.062 0.704 -5.367 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.610 0.509 -3.685 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.934 -1.502 -4.879 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.585 -1.905 -3.835 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.672 -1.792 -6.854 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.876 -2.965 -5.824 1.00 7.49 H new ATOM 316 N SER A 20 11.635 1.301 -7.215 1.00 6.80 N ATOM 317 CA SER A 20 11.319 2.443 -8.103 1.00 6.28 C ATOM 318 C SER A 20 9.890 2.486 -8.530 1.00 8.45 C ATOM 319 O SER A 20 9.387 3.357 -9.261 1.00 7.26 O ATOM 320 CB SER A 20 12.193 2.464 -9.410 1.00 8.57 C ATOM 321 OG SER A 20 13.564 2.406 -9.074 1.00 11.13 O ATOM 0 H SER A 20 11.891 0.455 -7.724 1.00 6.80 H new ATOM 0 HA SER A 20 11.544 3.313 -7.486 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.930 1.620 -10.047 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.988 3.370 -9.980 1.00 8.57 H new ATOM 0 HG SER A 20 14.102 2.418 -9.893 1.00 11.13 H new ATOM 327 N ASP A 21 9.037 1.595 -7.897 1.00 7.50 N ATOM 328 CA ASP A 21 7.604 1.532 -8.178 1.00 7.70 C ATOM 329 C ASP A 21 6.986 2.575 -7.271 1.00 7.08 C ATOM 330 O ASP A 21 7.623 2.982 -6.278 1.00 8.11 O ATOM 331 CB ASP A 21 7.032 0.122 -7.844 1.00 11.00 C ATOM 332 CG ASP A 21 7.172 -0.823 -8.948 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.347 -0.454 -10.164 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.155 -2.052 -8.634 1.00 18.03 O ATOM 0 H ASP A 21 9.349 0.925 -7.194 1.00 7.50 H new ATOM 0 HA ASP A 21 7.389 1.713 -9.231 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.543 -0.274 -6.966 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.978 0.215 -7.584 1.00 11.00 H new ATOM 339 N THR A 22 5.812 3.182 -7.622 1.00 5.37 N ATOM 340 CA THR A 22 5.108 4.122 -6.815 1.00 6.01 C ATOM 341 C THR A 22 4.069 3.476 -5.901 1.00 8.01 C ATOM 342 O THR A 22 3.696 2.344 -6.040 1.00 8.11 O ATOM 343 CB THR A 22 4.583 5.301 -7.482 1.00 8.92 C ATOM 344 OG1 THR A 22 3.564 4.991 -8.449 1.00 10.22 O ATOM 345 CG2 THR A 22 5.753 6.024 -8.165 1.00 9.65 C ATOM 0 H THR A 22 5.348 2.997 -8.511 1.00 5.37 H new ATOM 0 HA THR A 22 5.909 4.518 -6.191 1.00 6.01 H new ATOM 0 HB THR A 22 4.110 5.935 -6.732 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.839 4.212 -8.976 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.383 6.914 -8.674 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.489 6.314 -7.415 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.218 5.358 -8.892 1.00 9.65 H new ATOM 353 N ILE A 23 3.592 4.175 -4.877 1.00 8.32 N ATOM 354 CA ILE A 23 2.498 3.658 -4.078 1.00 9.92 C ATOM 355 C ILE A 23 1.193 3.554 -4.871 1.00 10.01 C ATOM 356 O ILE A 23 0.438 2.691 -4.575 1.00 8.71 O ATOM 357 CB ILE A 23 2.410 4.509 -2.864 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.573 4.379 -1.881 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.020 4.261 -2.144 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.849 2.983 -1.189 1.00 12.30 C ATOM 0 H ILE A 23 3.943 5.088 -4.587 1.00 8.32 H new ATOM 0 HA ILE A 23 2.686 2.627 -3.777 1.00 9.92 H new ATOM 0 HB ILE A 23 2.482 5.538 -3.218 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.482 4.669 -2.408 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.417 5.112 -1.089 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.955 4.885 -1.253 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.207 4.515 -2.825 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.940 3.212 -1.858 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.708 3.070 -0.524 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.974 2.683 -0.613 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.055 2.233 -1.952 1.00 12.30 H new ATOM 372 N GLU A 24 1.010 4.444 -5.913 1.00 9.54 N ATOM 373 CA GLU A 24 0.015 4.215 -6.931 1.00 11.81 C ATOM 374 C GLU A 24 0.227 2.845 -7.668 1.00 11.14 C ATOM 375 O GLU A 24 -0.732 2.096 -7.750 1.00 10.62 O ATOM 376 CB GLU A 24 -0.241 5.388 -7.865 1.00 19.24 C ATOM 377 CG GLU A 24 -1.530 5.226 -8.631 1.00 27.76 C ATOM 378 CD GLU A 24 -1.718 6.274 -9.671 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.021 7.427 -9.308 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.544 5.968 -10.920 1.00 34.80 O ATOM 0 H GLU A 24 1.549 5.301 -6.034 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.927 4.133 -6.390 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.276 6.311 -7.287 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.589 5.482 -8.566 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.545 4.244 -9.104 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.368 5.257 -7.934 1.00 27.76 H new ATOM 387 N ASN A 25 1.471 2.428 -8.055 1.00 9.43 N ATOM 388 CA ASN A 25 1.736 1.064 -8.487 1.00 10.96 C ATOM 389 C ASN A 25 1.532 -0.021 -7.448 1.00 9.68 C ATOM 390 O ASN A 25 0.965 -1.081 -7.731 1.00 9.33 O ATOM 391 CB ASN A 25 3.215 0.883 -9.068 1.00 16.78 C ATOM 392 CG ASN A 25 3.602 1.803 -10.186 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.554 2.534 -10.100 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.760 1.721 -11.257 1.00 24.70 N ATOM 0 H ASN A 25 2.291 3.035 -8.068 1.00 9.43 H new ATOM 0 HA ASN A 25 0.978 0.929 -9.259 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.923 1.019 -8.251 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.323 -0.144 -9.416 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.915 2.312 -12.074 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.976 1.069 -11.240 1.00 24.70 H new ATOM 401 N VAL A 26 1.907 0.161 -6.159 1.00 6.52 N ATOM 402 CA VAL A 26 1.394 -0.759 -5.109 1.00 5.53 C ATOM 403 C VAL A 26 -0.121 -0.816 -4.958 1.00 4.42 C ATOM 404 O VAL A 26 -0.728 -1.931 -4.852 1.00 3.40 O ATOM 405 CB VAL A 26 2.002 -0.375 -3.755 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.480 -1.285 -2.599 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.505 -0.557 -3.856 1.00 8.12 C ATOM 0 H VAL A 26 2.531 0.897 -5.829 1.00 6.52 H new ATOM 0 HA VAL A 26 1.696 -1.753 -5.439 1.00 5.53 H new ATOM 0 HB VAL A 26 1.722 0.654 -3.529 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.937 -0.977 -1.659 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.397 -1.192 -2.524 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.741 -2.323 -2.807 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.968 -0.291 -2.906 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.731 -1.597 -4.091 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.897 0.086 -4.644 1.00 8.12 H new ATOM 417 N LYS A 27 -0.843 0.281 -4.912 1.00 2.64 N ATOM 418 CA LYS A 27 -2.310 0.249 -4.956 1.00 4.14 C ATOM 419 C LYS A 27 -2.972 -0.525 -6.122 1.00 5.58 C ATOM 420 O LYS A 27 -3.896 -1.287 -5.918 1.00 4.11 O ATOM 421 CB LYS A 27 -2.933 1.647 -4.892 1.00 3.97 C ATOM 422 CG LYS A 27 -2.730 2.286 -3.555 1.00 7.45 C ATOM 423 CD LYS A 27 -3.344 3.679 -3.381 1.00 9.02 C ATOM 424 CE LYS A 27 -2.860 4.418 -2.138 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.459 5.739 -1.869 1.00 15.47 N ATOM 0 H LYS A 27 -0.446 1.218 -4.844 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.528 -0.325 -4.056 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.494 2.276 -5.666 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.000 1.579 -5.104 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.147 1.628 -2.792 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.659 2.356 -3.366 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.113 4.279 -4.261 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.429 3.584 -3.335 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.042 3.781 -1.273 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.780 4.545 -2.218 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.061 6.129 -0.991 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.250 6.382 -2.659 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.489 5.639 -1.767 1.00 15.47 H new ATOM 439 N ALA A 28 -2.452 -0.314 -7.339 1.00 6.61 N ATOM 440 CA ALA A 28 -2.797 -0.969 -8.538 1.00 7.74 C ATOM 441 C ALA A 28 -2.632 -2.450 -8.465 1.00 9.17 C ATOM 442 O ALA A 28 -3.512 -3.126 -8.903 1.00 11.45 O ATOM 443 CB ALA A 28 -1.839 -0.288 -9.567 1.00 7.68 C ATOM 0 H ALA A 28 -1.722 0.383 -7.486 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.850 -0.869 -8.800 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.007 -0.713 -10.557 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.036 0.784 -9.594 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.804 -0.459 -9.269 1.00 7.68 H new ATOM 449 N LYS A 29 -1.546 -2.995 -7.869 1.00 8.96 N ATOM 450 CA LYS A 29 -1.262 -4.372 -7.483 1.00 7.90 C ATOM 451 C LYS A 29 -2.331 -4.953 -6.465 1.00 6.92 C ATOM 452 O LYS A 29 -2.865 -6.039 -6.659 1.00 6.87 O ATOM 453 CB LYS A 29 0.241 -4.492 -7.078 1.00 10.28 C ATOM 454 CG LYS A 29 1.277 -4.345 -8.237 1.00 14.94 C ATOM 455 CD LYS A 29 2.752 -4.501 -7.716 1.00 19.69 C ATOM 456 CE LYS A 29 3.886 -3.927 -8.580 1.00 22.63 C ATOM 457 NZ LYS A 29 3.927 -4.522 -9.904 1.00 24.98 N ATOM 0 H LYS A 29 -0.759 -2.394 -7.623 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.388 -5.042 -8.334 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.456 -3.732 -6.327 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.392 -5.461 -6.603 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.079 -5.097 -9.001 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.159 -3.370 -8.711 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.811 -4.032 -6.734 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.946 -5.564 -7.574 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.758 -2.848 -8.673 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.840 -4.093 -8.080 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.708 -4.103 -10.449 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.075 -5.548 -9.819 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.027 -4.342 -10.394 1.00 24.98 H new ATOM 471 N ILE A 30 -2.688 -4.223 -5.391 1.00 4.57 N ATOM 472 CA ILE A 30 -3.780 -4.630 -4.429 1.00 5.58 C ATOM 473 C ILE A 30 -5.160 -4.660 -5.128 1.00 7.26 C ATOM 474 O ILE A 30 -6.078 -5.446 -4.885 1.00 9.46 O ATOM 475 CB ILE A 30 -3.676 -3.791 -3.139 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.451 -4.201 -2.416 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.932 -3.884 -2.255 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.467 -5.585 -1.841 1.00 2.00 C ATOM 0 H ILE A 30 -2.243 -3.337 -5.150 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.648 -5.661 -4.102 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.609 -2.737 -3.410 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.605 -4.121 -3.098 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.275 -3.493 -1.606 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.796 -3.272 -1.364 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.797 -3.525 -2.813 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.094 -4.921 -1.962 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.522 -5.779 -1.334 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.286 -5.673 -1.127 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.605 -6.311 -2.643 1.00 2.00 H new ATOM 490 N GLN A 31 -5.385 -3.679 -6.037 1.00 7.06 N ATOM 491 CA GLN A 31 -6.619 -3.683 -6.849 1.00 8.67 C ATOM 492 C GLN A 31 -6.735 -4.963 -7.672 1.00 10.90 C ATOM 493 O GLN A 31 -7.788 -5.595 -7.791 1.00 9.63 O ATOM 494 CB GLN A 31 -6.650 -2.471 -7.771 1.00 9.12 C ATOM 495 CG GLN A 31 -7.844 -2.500 -8.682 1.00 10.76 C ATOM 496 CD GLN A 31 -7.662 -3.241 -10.021 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.538 -3.656 -10.403 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.792 -3.414 -10.756 1.00 14.76 N ATOM 0 H GLN A 31 -4.750 -2.902 -6.220 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.467 -3.637 -6.166 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.669 -1.559 -7.174 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.738 -2.443 -8.367 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.673 -2.961 -8.145 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.136 -1.472 -8.897 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.684 -3.062 -10.410 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.748 -3.896 -11.654 1.00 14.76 H new ATOM 507 N ASP A 32 -5.600 -5.392 -8.272 1.00 10.93 N ATOM 508 CA ASP A 32 -5.447 -6.676 -8.906 1.00 14.01 C ATOM 509 C ASP A 32 -5.703 -7.920 -8.052 1.00 14.04 C ATOM 510 O ASP A 32 -6.472 -8.809 -8.472 1.00 13.39 O ATOM 511 CB ASP A 32 -4.197 -6.776 -9.845 1.00 18.01 C ATOM 512 CG ASP A 32 -4.367 -7.863 -10.844 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.253 -7.748 -11.755 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.572 -8.867 -10.804 1.00 26.29 O ATOM 0 H ASP A 32 -4.756 -4.822 -8.317 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.314 -6.701 -9.566 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.046 -5.826 -10.358 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.304 -6.962 -9.249 1.00 18.01 H new ATOM 519 N LYS A 33 -5.169 -7.927 -6.857 1.00 14.22 N ATOM 520 CA LYS A 33 -5.470 -8.917 -5.835 1.00 14.00 C ATOM 521 C LYS A 33 -6.876 -8.933 -5.332 1.00 12.37 C ATOM 522 O LYS A 33 -7.513 -9.983 -5.234 1.00 12.17 O ATOM 523 CB LYS A 33 -4.499 -8.678 -4.601 1.00 18.62 C ATOM 524 CG LYS A 33 -2.996 -8.851 -4.884 1.00 24.00 C ATOM 525 CD LYS A 33 -2.599 -10.311 -5.139 1.00 27.61 C ATOM 526 CE LYS A 33 -1.203 -10.463 -5.511 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.073 -11.762 -6.180 1.00 30.06 N ATOM 0 H LYS A 33 -4.493 -7.227 -6.552 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.325 -9.883 -6.319 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.664 -7.669 -4.224 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.780 -9.366 -3.804 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.723 -8.249 -5.751 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.426 -8.468 -4.038 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.796 -10.897 -4.242 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.227 -10.719 -5.931 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.891 -9.656 -6.174 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.563 -10.418 -4.630 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.083 -11.909 -6.463 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.363 -12.519 -5.528 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.681 -11.780 -7.024 1.00 30.06 H new ATOM 541 N GLU A 34 -7.389 -7.794 -4.882 1.00 10.11 N ATOM 542 CA GLU A 34 -8.541 -7.736 -3.970 1.00 10.07 C ATOM 543 C GLU A 34 -9.722 -7.010 -4.615 1.00 9.32 C ATOM 544 O GLU A 34 -10.845 -7.123 -4.099 1.00 11.61 O ATOM 545 CB GLU A 34 -8.218 -6.981 -2.696 1.00 14.77 C ATOM 546 CG GLU A 34 -7.267 -7.795 -1.754 1.00 18.75 C ATOM 547 CD GLU A 34 -7.906 -9.128 -1.392 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.988 -9.083 -0.770 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.345 -10.187 -1.749 1.00 21.95 O ATOM 0 H GLU A 34 -7.021 -6.877 -5.136 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.790 -8.773 -3.746 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.750 -6.029 -2.948 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.143 -6.752 -2.167 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.310 -7.964 -2.248 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.062 -7.223 -0.849 1.00 18.75 H new ATOM 556 N GLY A 35 -9.568 -6.316 -5.739 1.00 7.22 N ATOM 557 CA GLY A 35 -10.612 -5.749 -6.540 1.00 6.29 C ATOM 558 C GLY A 35 -10.981 -4.342 -6.087 1.00 6.93 C ATOM 559 O GLY A 35 -11.708 -3.643 -6.764 1.00 7.41 O ATOM 0 H GLY A 35 -8.643 -6.131 -6.127 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.295 -5.722 -7.582 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.494 -6.388 -6.491 1.00 6.29 H new ATOM 563 N ILE A 36 -10.406 -3.891 -4.980 1.00 5.86 N ATOM 564 CA ILE A 36 -10.586 -2.553 -4.425 1.00 6.07 C ATOM 565 C ILE A 36 -9.934 -1.521 -5.311 1.00 6.36 C ATOM 566 O ILE A 36 -8.697 -1.590 -5.422 1.00 6.18 O ATOM 567 CB ILE A 36 -9.904 -2.554 -3.093 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.158 -3.889 -2.301 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.198 -1.268 -2.254 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.506 -3.969 -0.867 1.00 9.49 C ATOM 0 H ILE A 36 -9.777 -4.468 -4.422 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.645 -2.309 -4.344 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.833 -2.520 -3.293 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.234 -4.030 -2.199 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.783 -4.721 -2.897 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.675 -1.329 -1.299 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.854 -0.390 -2.801 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.270 -1.187 -2.076 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.744 -4.930 -0.412 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.424 -3.867 -0.953 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.898 -3.165 -0.244 1.00 9.49 H new ATOM 582 N PRO A 37 -10.599 -0.446 -5.896 1.00 8.65 N ATOM 583 CA PRO A 37 -9.973 0.539 -6.702 1.00 9.18 C ATOM 584 C PRO A 37 -8.889 1.393 -5.971 1.00 9.85 C ATOM 585 O PRO A 37 -9.106 1.699 -4.781 1.00 8.51 O ATOM 586 CB PRO A 37 -11.112 1.363 -7.359 1.00 11.42 C ATOM 587 CG PRO A 37 -12.280 0.382 -7.281 1.00 9.27 C ATOM 588 CD PRO A 37 -11.998 -0.333 -5.980 1.00 8.33 C ATOM 0 HA PRO A 37 -9.369 0.058 -7.471 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.315 2.287 -6.817 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.877 1.641 -8.387 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.243 0.893 -7.266 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.296 -0.303 -8.129 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.396 0.226 -5.133 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.471 -1.315 -5.964 1.00 8.33 H new ATOM 596 N PRO A 38 -7.763 1.833 -6.602 1.00 8.71 N ATOM 597 CA PRO A 38 -6.737 2.710 -6.049 1.00 9.08 C ATOM 598 C PRO A 38 -7.320 3.886 -5.279 1.00 9.28 C ATOM 599 O PRO A 38 -6.820 4.370 -4.269 1.00 6.50 O ATOM 600 CB PRO A 38 -5.823 3.048 -7.257 1.00 10.31 C ATOM 601 CG PRO A 38 -5.881 1.718 -7.941 1.00 10.81 C ATOM 602 CD PRO A 38 -7.349 1.350 -7.904 1.00 12.00 C ATOM 0 HA PRO A 38 -6.139 2.242 -5.267 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.213 3.860 -7.871 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.813 3.330 -6.960 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.511 1.779 -8.964 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.271 0.977 -7.425 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.907 1.827 -8.710 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.500 0.275 -8.005 1.00 12.00 H new ATOM 610 N ASP A 39 -8.384 4.509 -5.822 1.00 11.20 N ATOM 611 CA ASP A 39 -8.943 5.765 -5.302 1.00 14.96 C ATOM 612 C ASP A 39 -9.563 5.677 -3.922 1.00 13.99 C ATOM 613 O ASP A 39 -9.537 6.672 -3.194 1.00 13.75 O ATOM 614 CB ASP A 39 -9.865 6.514 -6.268 1.00 24.16 C ATOM 615 CG ASP A 39 -9.108 7.057 -7.468 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.352 8.036 -7.317 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.353 6.619 -8.624 1.00 35.55 O ATOM 0 H ASP A 39 -8.880 4.150 -6.638 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.042 6.369 -5.196 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.654 5.844 -6.609 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.350 7.336 -5.742 1.00 24.16 H new ATOM 622 N GLN A 40 -9.998 4.504 -3.470 1.00 11.60 N ATOM 623 CA GLN A 40 -10.414 4.280 -2.132 1.00 10.76 C ATOM 624 C GLN A 40 -9.304 3.891 -1.111 1.00 8.01 C ATOM 625 O GLN A 40 -9.367 4.109 0.091 1.00 8.96 O ATOM 626 CB GLN A 40 -11.415 3.158 -2.126 1.00 11.14 C ATOM 627 CG GLN A 40 -12.188 2.942 -0.809 1.00 14.85 C ATOM 628 CD GLN A 40 -13.146 1.801 -0.932 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.255 1.094 -1.970 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.120 1.640 0.046 1.00 18.16 N ATOM 0 H GLN A 40 -10.064 3.674 -4.059 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.805 5.244 -1.806 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.138 3.339 -2.922 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.894 2.233 -2.373 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.486 2.746 0.001 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.730 3.851 -0.548 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.076 2.189 0.905 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.879 0.973 -0.095 1.00 18.16 H new ATOM 639 N GLN A 41 -8.281 3.195 -1.554 1.00 6.52 N ATOM 640 CA GLN A 41 -7.285 2.655 -0.584 1.00 3.87 C ATOM 641 C GLN A 41 -6.493 3.652 0.198 1.00 4.79 C ATOM 642 O GLN A 41 -6.102 4.645 -0.417 1.00 6.34 O ATOM 643 CB GLN A 41 -6.237 1.810 -1.331 1.00 4.20 C ATOM 644 CG GLN A 41 -6.858 0.788 -2.298 1.00 3.20 C ATOM 645 CD GLN A 41 -5.885 -0.123 -2.904 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.805 -0.356 -2.382 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.341 -0.716 -4.094 1.00 7.13 N ATOM 0 H GLN A 41 -8.098 2.982 -2.535 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.909 2.103 0.119 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.576 2.473 -1.889 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.619 1.283 -0.604 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.604 0.202 -1.762 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.382 1.323 -3.090 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.257 -0.469 -4.468 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.756 -1.393 -4.583 1.00 7.13 H new ATOM 656 N ARG A 42 -6.256 3.344 1.497 1.00 5.73 N ATOM 657 CA ARG A 42 -5.325 4.128 2.330 1.00 6.97 C ATOM 658 C ARG A 42 -4.264 3.117 2.865 1.00 7.15 C ATOM 659 O ARG A 42 -4.531 2.240 3.670 1.00 7.33 O ATOM 660 CB ARG A 42 -5.917 4.832 3.568 1.00 13.23 C ATOM 661 CG ARG A 42 -6.466 6.235 3.249 1.00 21.27 C ATOM 662 CD ARG A 42 -7.064 6.879 4.448 1.00 26.14 C ATOM 663 NE ARG A 42 -7.495 8.215 3.904 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.207 9.112 4.593 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.081 8.716 5.530 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.176 10.379 4.208 1.00 36.39 N ATOM 0 H ARG A 42 -6.696 2.563 1.983 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.955 4.927 1.688 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.718 4.219 3.981 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.148 4.913 4.337 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.662 6.861 2.863 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.218 6.161 2.463 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.905 6.308 4.841 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.342 6.982 5.258 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.226 8.451 2.949 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.207 7.722 5.722 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.620 9.409 6.050 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.616 10.653 3.400 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.712 11.081 4.719 1.00 36.39 H new ATOM 680 N LEU A 43 -3.088 3.276 2.270 1.00 4.65 N ATOM 681 CA LEU A 43 -1.909 2.491 2.589 1.00 3.51 C ATOM 682 C LEU A 43 -1.145 3.230 3.693 1.00 5.56 C ATOM 683 O LEU A 43 -0.706 4.347 3.601 1.00 4.19 O ATOM 684 CB LEU A 43 -0.988 1.996 1.483 1.00 3.74 C ATOM 685 CG LEU A 43 -1.664 1.013 0.545 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.611 0.484 -0.503 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.421 -0.187 1.178 1.00 6.41 C ATOM 0 H LEU A 43 -2.927 3.968 1.539 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.312 1.527 2.901 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.628 2.849 0.908 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.115 1.521 1.930 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.460 1.598 0.086 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.093 -0.223 -1.178 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.216 1.322 -1.077 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.205 -0.014 0.021 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.852 -0.803 0.388 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.726 -0.786 1.767 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.217 0.185 1.824 1.00 6.41 H new ATOM 699 N ILE A 44 -1.057 2.686 4.885 1.00 4.58 N ATOM 700 CA ILE A 44 -0.257 3.154 6.010 1.00 5.55 C ATOM 701 C ILE A 44 0.944 2.127 6.324 1.00 5.46 C ATOM 702 O ILE A 44 0.884 0.905 6.189 1.00 6.04 O ATOM 703 CB ILE A 44 -1.234 3.312 7.214 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.316 4.347 6.886 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.437 3.536 8.527 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.334 4.634 8.050 1.00 13.90 C ATOM 0 H ILE A 44 -1.579 1.841 5.118 1.00 4.58 H new ATOM 0 HA ILE A 44 0.222 4.109 5.792 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.790 2.392 7.394 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.831 5.283 6.609 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.872 4.005 6.013 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.131 3.645 9.360 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.215 2.681 8.707 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.166 4.440 8.437 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.060 5.378 7.723 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.853 3.713 8.315 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.795 5.010 8.920 1.00 13.90 H new ATOM 718 N PHE A 45 2.051 2.752 6.843 1.00 6.75 N ATOM 719 CA PHE A 45 3.192 2.068 7.456 1.00 4.70 C ATOM 720 C PHE A 45 3.481 2.858 8.742 1.00 6.34 C ATOM 721 O PHE A 45 3.700 4.017 8.684 1.00 5.45 O ATOM 722 CB PHE A 45 4.411 2.036 6.523 1.00 5.51 C ATOM 723 CG PHE A 45 5.504 1.182 7.043 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.419 -0.237 6.982 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.715 1.760 7.487 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.452 -0.972 7.507 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.747 0.989 7.989 1.00 6.64 C ATOM 728 CZ PHE A 45 7.657 -0.405 8.018 1.00 6.84 C ATOM 0 H PHE A 45 2.156 3.767 6.836 1.00 6.75 H new ATOM 0 HA PHE A 45 2.971 1.021 7.662 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.104 1.671 5.543 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.783 3.051 6.383 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.564 -0.723 6.535 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.837 2.832 7.433 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.346 -2.046 7.535 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.637 1.472 8.365 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.456 -1.019 8.406 1.00 6.84 H new ATOM 738 N ALA A 46 3.535 2.167 9.952 1.00 6.53 N ATOM 739 CA ALA A 46 4.012 2.717 11.244 1.00 7.15 C ATOM 740 C ALA A 46 3.459 4.057 11.636 1.00 9.00 C ATOM 741 O ALA A 46 4.170 5.005 11.786 1.00 11.15 O ATOM 742 CB ALA A 46 5.588 2.665 11.354 1.00 8.99 C ATOM 0 H ALA A 46 3.236 1.195 10.030 1.00 6.53 H new ATOM 0 HA ALA A 46 3.589 2.044 11.989 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.899 3.076 12.314 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.924 1.631 11.276 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.029 3.252 10.548 1.00 8.99 H new ATOM 748 N GLY A 47 2.090 4.161 11.723 1.00 9.35 N ATOM 749 CA GLY A 47 1.303 5.306 12.080 1.00 11.68 C ATOM 750 C GLY A 47 1.242 6.471 11.067 1.00 11.14 C ATOM 751 O GLY A 47 0.820 7.564 11.454 1.00 13.93 O ATOM 0 H GLY A 47 1.497 3.356 11.520 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.284 4.969 12.267 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.687 5.698 13.022 1.00 11.68 H new ATOM 755 N LYS A 48 1.718 6.211 9.811 1.00 10.47 N ATOM 756 CA LYS A 48 1.837 7.328 8.873 1.00 8.82 C ATOM 757 C LYS A 48 1.227 6.952 7.450 1.00 7.68 C ATOM 758 O LYS A 48 1.528 5.982 6.779 1.00 6.47 O ATOM 759 CB LYS A 48 3.305 7.810 8.672 1.00 9.74 C ATOM 760 CG LYS A 48 3.557 8.839 7.553 1.00 14.14 C ATOM 761 CD LYS A 48 5.064 9.126 7.457 1.00 16.32 C ATOM 762 CE LYS A 48 5.519 9.719 6.201 1.00 20.04 C ATOM 763 NZ LYS A 48 6.933 9.873 6.155 1.00 23.92 N ATOM 0 H LYS A 48 2.003 5.297 9.459 1.00 10.47 H new ATOM 0 HA LYS A 48 1.272 8.144 9.324 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.652 8.240 9.612 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.924 6.935 8.474 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.187 8.457 6.602 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.012 9.760 7.761 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.340 9.793 8.273 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.603 8.192 7.612 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.197 9.093 5.369 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.046 10.692 6.069 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.207 10.297 5.246 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.240 10.492 6.932 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.387 8.943 6.254 1.00 23.92 H new ATOM 777 N GLN A 49 0.391 7.863 6.923 1.00 8.89 N ATOM 778 CA GLN A 49 -0.207 7.744 5.583 1.00 7.18 C ATOM 779 C GLN A 49 0.766 7.820 4.436 1.00 8.23 C ATOM 780 O GLN A 49 1.566 8.780 4.349 1.00 9.70 O ATOM 781 CB GLN A 49 -1.405 8.735 5.357 1.00 11.67 C ATOM 782 CG GLN A 49 -2.811 8.345 5.834 1.00 15.82 C ATOM 783 CD GLN A 49 -3.861 9.414 5.539 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.403 10.050 6.493 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.275 9.467 4.275 1.00 20.67 N ATOM 0 H GLN A 49 0.110 8.709 7.419 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.594 6.725 5.577 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.146 9.676 5.841 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.467 8.934 4.287 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.106 7.412 5.353 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.785 8.156 6.907 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.791 8.928 3.557 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.076 10.047 4.025 1.00 20.67 H new ATOM 794 N LEU A 50 0.692 6.876 3.402 1.00 6.51 N ATOM 795 CA LEU A 50 1.546 6.955 2.235 1.00 7.41 C ATOM 796 C LEU A 50 1.001 7.516 0.997 1.00 8.27 C ATOM 797 O LEU A 50 0.034 7.095 0.351 1.00 8.34 O ATOM 798 CB LEU A 50 2.196 5.553 1.909 1.00 7.13 C ATOM 799 CG LEU A 50 2.953 4.914 3.128 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.272 3.492 2.824 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.211 5.724 3.591 1.00 9.11 C ATOM 0 H LEU A 50 0.047 6.086 3.398 1.00 6.51 H new ATOM 0 HA LEU A 50 2.276 7.696 2.561 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.416 4.868 1.577 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.893 5.669 1.079 1.00 7.13 H new ATOM 0 HG LEU A 50 2.282 4.953 3.986 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.797 3.048 3.670 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.348 2.943 2.642 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.904 3.442 1.938 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.678 5.219 4.436 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.924 5.791 2.769 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.908 6.727 3.891 1.00 9.11 H new ATOM 813 N GLU A 51 1.648 8.572 0.450 1.00 9.43 N ATOM 814 CA GLU A 51 1.316 9.241 -0.811 1.00 11.90 C ATOM 815 C GLU A 51 1.521 8.464 -2.089 1.00 11.49 C ATOM 816 O GLU A 51 2.466 7.690 -2.181 1.00 9.88 O ATOM 817 CB GLU A 51 1.843 10.697 -0.907 1.00 16.56 C ATOM 818 CG GLU A 51 1.263 11.649 0.198 1.00 26.06 C ATOM 819 CD GLU A 51 1.700 13.068 0.037 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.554 13.644 -1.083 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.279 13.628 1.010 1.00 32.13 O ATOM 0 H GLU A 51 2.456 8.995 0.907 1.00 9.43 H new ATOM 0 HA GLU A 51 0.230 9.292 -0.737 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.930 10.687 -0.832 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.595 11.100 -1.889 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.174 11.605 0.172 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.573 11.289 1.179 1.00 26.06 H new ATOM 828 N ASP A 52 0.602 8.632 -3.090 1.00 12.71 N ATOM 829 CA ASP A 52 0.544 7.898 -4.356 1.00 16.56 C ATOM 830 C ASP A 52 1.794 8.103 -5.200 1.00 15.83 C ATOM 831 O ASP A 52 2.295 7.109 -5.668 1.00 17.21 O ATOM 832 CB ASP A 52 -0.714 8.393 -5.140 1.00 21.05 C ATOM 833 CG ASP A 52 -1.982 8.349 -4.256 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.207 7.345 -3.567 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.810 9.295 -4.332 1.00 25.82 O ATOM 0 H ASP A 52 -0.146 9.321 -3.013 1.00 12.71 H new ATOM 0 HA ASP A 52 0.481 6.831 -4.141 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.548 9.412 -5.491 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.862 7.771 -6.023 1.00 21.05 H new ATOM 840 N GLY A 53 2.248 9.388 -5.483 1.00 15.00 N ATOM 841 CA GLY A 53 3.278 9.710 -6.481 1.00 11.77 C ATOM 842 C GLY A 53 4.649 9.478 -6.007 1.00 11.10 C ATOM 843 O GLY A 53 5.699 9.796 -6.639 1.00 11.25 O ATOM 0 H GLY A 53 1.887 10.213 -5.004 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.105 9.111 -7.375 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.175 10.755 -6.773 1.00 11.77 H new ATOM 847 N ARG A 54 4.761 8.968 -4.830 1.00 8.53 N ATOM 848 CA ARG A 54 5.997 8.597 -4.124 1.00 9.05 C ATOM 849 C ARG A 54 6.348 7.160 -4.423 1.00 8.96 C ATOM 850 O ARG A 54 5.498 6.263 -4.403 1.00 11.60 O ATOM 851 CB ARG A 54 5.982 8.841 -2.597 1.00 7.97 C ATOM 852 CG ARG A 54 5.848 10.275 -2.147 1.00 9.62 C ATOM 853 CD ARG A 54 7.144 11.086 -2.473 1.00 12.20 C ATOM 854 NE ARG A 54 7.039 12.363 -1.786 1.00 18.23 N ATOM 855 CZ ARG A 54 8.009 13.206 -1.744 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.266 13.003 -2.074 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.724 14.304 -1.031 1.00 23.38 N ATOM 0 H ARG A 54 3.935 8.772 -4.265 1.00 8.53 H new ATOM 0 HA ARG A 54 6.763 9.270 -4.508 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.158 8.270 -2.168 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.903 8.436 -2.177 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.992 10.736 -2.640 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.654 10.307 -1.075 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.030 10.544 -2.143 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.244 11.235 -3.548 1.00 12.20 H new ATOM 0 HE ARG A 54 6.163 12.599 -1.320 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.564 12.087 -2.410 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.943 13.762 -1.994 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.810 14.402 -0.589 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.421 15.042 -0.930 1.00 23.38 H new ATOM 871 N THR A 55 7.641 6.907 -4.719 1.00 9.05 N ATOM 872 CA THR A 55 8.161 5.584 -4.857 1.00 9.03 C ATOM 873 C THR A 55 8.603 4.981 -3.541 1.00 8.15 C ATOM 874 O THR A 55 8.907 5.738 -2.617 1.00 5.91 O ATOM 875 CB THR A 55 9.443 5.612 -5.774 1.00 11.15 C ATOM 876 OG1 THR A 55 10.498 6.411 -5.348 1.00 11.95 O ATOM 877 CG2 THR A 55 9.166 6.050 -7.144 1.00 11.71 C ATOM 0 H THR A 55 8.336 7.640 -4.865 1.00 9.05 H new ATOM 0 HA THR A 55 7.351 4.988 -5.277 1.00 9.03 H new ATOM 0 HB THR A 55 9.741 4.565 -5.716 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.336 5.907 -5.411 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.091 6.046 -7.721 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.448 5.372 -7.605 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.753 7.059 -7.127 1.00 11.71 H new ATOM 885 N LEU A 56 8.698 3.611 -3.486 1.00 6.91 N ATOM 886 CA LEU A 56 9.226 2.863 -2.329 1.00 8.29 C ATOM 887 C LEU A 56 10.689 3.272 -1.967 1.00 8.05 C ATOM 888 O LEU A 56 10.994 3.428 -0.819 1.00 10.17 O ATOM 889 CB LEU A 56 9.080 1.374 -2.684 1.00 6.60 C ATOM 890 CG LEU A 56 7.669 0.837 -2.750 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.366 -0.059 -3.956 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.321 0.073 -1.518 1.00 8.64 C ATOM 0 H LEU A 56 8.405 3.008 -4.255 1.00 6.91 H new ATOM 0 HA LEU A 56 8.666 3.094 -1.423 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.556 1.204 -3.650 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.634 0.791 -1.948 1.00 6.60 H new ATOM 0 HG LEU A 56 7.060 1.735 -2.851 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.329 -0.392 -3.910 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.527 0.503 -4.876 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.027 -0.926 -3.940 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.300 -0.300 -1.597 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.006 -0.767 -1.405 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.402 0.727 -0.649 1.00 8.64 H new ATOM 904 N SER A 57 11.515 3.674 -3.009 1.00 8.92 N ATOM 905 CA SER A 57 12.804 4.312 -2.774 1.00 9.00 C ATOM 906 C SER A 57 12.759 5.607 -2.070 1.00 9.44 C ATOM 907 O SER A 57 13.545 5.923 -1.203 1.00 10.91 O ATOM 908 CB SER A 57 13.635 4.425 -4.134 1.00 10.32 C ATOM 909 OG SER A 57 12.896 5.133 -5.154 1.00 13.59 O ATOM 0 H SER A 57 11.282 3.553 -3.995 1.00 8.92 H new ATOM 0 HA SER A 57 13.317 3.648 -2.079 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.577 4.940 -3.943 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.884 3.426 -4.492 1.00 10.32 H new ATOM 0 HG SER A 57 13.434 5.185 -5.971 1.00 13.59 H new ATOM 915 N ASP A 58 11.700 6.471 -2.367 1.00 9.11 N ATOM 916 CA ASP A 58 11.660 7.835 -1.809 1.00 7.91 C ATOM 917 C ASP A 58 11.116 7.775 -0.407 1.00 9.12 C ATOM 918 O ASP A 58 11.300 8.645 0.438 1.00 8.61 O ATOM 919 CB ASP A 58 10.871 8.675 -2.786 1.00 8.41 C ATOM 920 CG ASP A 58 10.970 10.178 -2.617 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.712 10.670 -1.752 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.471 10.913 -3.490 1.00 11.70 O ATOM 0 H ASP A 58 10.911 6.230 -2.967 1.00 9.11 H new ATOM 0 HA ASP A 58 12.639 8.302 -1.702 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.198 8.423 -3.795 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.821 8.391 -2.710 1.00 8.41 H new ATOM 927 N TYR A 59 10.340 6.745 -0.018 1.00 7.97 N ATOM 928 CA TYR A 59 9.771 6.615 1.327 1.00 8.45 C ATOM 929 C TYR A 59 10.626 5.753 2.253 1.00 10.98 C ATOM 930 O TYR A 59 10.418 5.675 3.481 1.00 12.95 O ATOM 931 CB TYR A 59 8.281 6.054 1.426 1.00 7.94 C ATOM 932 CG TYR A 59 7.218 7.144 1.372 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.222 8.221 2.279 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.125 6.957 0.507 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.180 9.161 2.340 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.095 7.897 0.609 1.00 6.52 C ATOM 937 CZ TYR A 59 5.114 9.034 1.501 1.00 6.76 C ATOM 938 OH TYR A 59 4.161 10.101 1.556 1.00 7.63 O ATOM 0 H TYR A 59 10.091 5.975 -0.639 1.00 7.97 H new ATOM 0 HA TYR A 59 9.753 7.659 1.641 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.111 5.351 0.611 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.172 5.496 2.356 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.058 8.328 2.954 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.084 6.136 -0.194 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.223 9.977 3.046 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.228 7.765 -0.021 1.00 6.52 H new ATOM 0 HH TYR A 59 4.409 10.795 0.910 1.00 7.63 H new ATOM 948 N ASN A 60 11.665 5.108 1.682 1.00 12.38 N ATOM 949 CA ASN A 60 12.644 4.249 2.295 1.00 13.94 C ATOM 950 C ASN A 60 11.991 3.009 2.892 1.00 14.16 C ATOM 951 O ASN A 60 11.979 2.740 4.088 1.00 14.26 O ATOM 952 CB ASN A 60 13.525 4.991 3.327 1.00 19.23 C ATOM 953 CG ASN A 60 14.667 4.146 4.013 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.549 3.864 5.187 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.717 3.917 3.252 1.00 24.09 N ATOM 0 H ASN A 60 11.837 5.199 0.681 1.00 12.38 H new ATOM 0 HA ASN A 60 13.318 3.921 1.503 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.984 5.846 2.832 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.876 5.386 4.109 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.540 3.458 3.643 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.707 4.198 2.272 1.00 24.09 H new ATOM 962 N ILE A 61 11.461 2.144 2.036 1.00 11.08 N ATOM 963 CA ILE A 61 10.778 0.919 2.399 1.00 11.78 C ATOM 964 C ILE A 61 11.645 -0.322 2.129 1.00 13.74 C ATOM 965 O ILE A 61 12.299 -0.387 1.114 1.00 14.60 O ATOM 966 CB ILE A 61 9.413 0.853 1.778 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.489 2.010 2.229 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.713 -0.565 1.955 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.008 2.207 1.690 1.00 11.42 C ATOM 0 H ILE A 61 11.500 2.288 1.027 1.00 11.08 H new ATOM 0 HA ILE A 61 10.616 0.926 3.477 1.00 11.78 H new ATOM 0 HB ILE A 61 9.580 0.984 0.709 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.414 1.938 3.314 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.023 2.934 2.006 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.730 -0.547 1.484 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.326 -1.334 1.486 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.603 -0.786 3.017 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.566 3.088 2.155 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.029 2.340 0.608 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.411 1.329 1.936 1.00 11.42 H new ATOM 981 N GLN A 62 11.765 -1.259 3.123 1.00 13.97 N ATOM 982 CA GLN A 62 12.637 -2.375 3.148 1.00 15.52 C ATOM 983 C GLN A 62 12.003 -3.681 2.818 1.00 13.94 C ATOM 984 O GLN A 62 10.783 -3.775 2.858 1.00 12.15 O ATOM 985 CB GLN A 62 13.243 -2.621 4.609 1.00 19.53 C ATOM 986 CG GLN A 62 14.482 -1.774 4.872 1.00 26.38 C ATOM 987 CD GLN A 62 14.130 -0.340 5.236 1.00 30.61 C ATOM 988 OE1 GLN A 62 13.642 -0.071 6.323 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.248 0.526 4.222 1.00 32.71 N ATOM 0 H GLN A 62 11.193 -1.207 3.966 1.00 13.97 H new ATOM 0 HA GLN A 62 13.378 -2.103 2.396 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.484 -2.393 5.358 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.496 -3.675 4.722 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.061 -2.221 5.680 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.117 -1.777 3.986 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.668 0.227 3.342 1.00 32.71 H new ATOM 0 HE22 GLN A 62 13.918 1.485 4.330 1.00 32.71 H new ATOM 998 N LYS A 63 12.857 -4.648 2.430 1.00 11.73 N ATOM 999 CA LYS A 63 12.332 -5.906 2.097 1.00 11.97 C ATOM 1000 C LYS A 63 11.511 -6.525 3.279 1.00 10.41 C ATOM 1001 O LYS A 63 11.835 -6.365 4.485 1.00 9.59 O ATOM 1002 CB LYS A 63 13.400 -6.974 1.534 1.00 13.73 C ATOM 1003 CG LYS A 63 14.472 -7.310 2.569 1.00 16.98 C ATOM 1004 CD LYS A 63 15.633 -8.127 2.043 1.00 20.19 C ATOM 1005 CE LYS A 63 15.288 -9.457 1.408 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.445 -10.292 1.115 1.00 25.97 N ATOM 0 H LYS A 63 13.870 -4.552 2.353 1.00 11.73 H new ATOM 0 HA LYS A 63 11.665 -5.696 1.261 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.881 -7.886 1.241 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.874 -6.575 0.637 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.860 -6.380 2.984 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.006 -7.855 3.390 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.168 -7.526 1.308 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.322 -8.311 2.867 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.618 -10.002 2.073 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.741 -9.275 0.483 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.129 -11.184 0.683 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.076 -9.792 0.456 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.957 -10.497 1.997 1.00 25.97 H new ATOM 1020 N GLU A 64 10.339 -7.078 2.962 1.00 10.04 N ATOM 1021 CA GLU A 64 9.476 -7.860 3.863 1.00 10.94 C ATOM 1022 C GLU A 64 8.670 -7.003 4.914 1.00 9.74 C ATOM 1023 O GLU A 64 8.141 -7.439 5.911 1.00 9.42 O ATOM 1024 CB GLU A 64 10.252 -9.012 4.574 1.00 18.31 C ATOM 1025 CG GLU A 64 10.917 -9.897 3.576 1.00 24.16 C ATOM 1026 CD GLU A 64 11.953 -10.807 4.186 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.045 -10.927 5.456 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.749 -11.483 3.442 1.00 32.61 O ATOM 0 H GLU A 64 9.943 -6.991 2.026 1.00 10.04 H new ATOM 0 HA GLU A 64 8.731 -8.298 3.199 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.998 -8.592 5.248 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.564 -9.597 5.184 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.161 -10.502 3.076 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.389 -9.281 2.811 1.00 24.16 H new ATOM 1035 N SER A 65 8.709 -5.698 4.721 1.00 6.85 N ATOM 1036 CA SER A 65 7.963 -4.717 5.549 1.00 6.90 C ATOM 1037 C SER A 65 6.483 -4.998 5.409 1.00 4.72 C ATOM 1038 O SER A 65 6.060 -5.403 4.315 1.00 3.91 O ATOM 1039 CB SER A 65 8.216 -3.233 5.126 1.00 7.28 C ATOM 1040 OG SER A 65 9.585 -2.918 5.074 1.00 10.56 O ATOM 0 H SER A 65 9.261 -5.265 3.980 1.00 6.85 H new ATOM 0 HA SER A 65 8.313 -4.831 6.575 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.767 -3.055 4.149 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.719 -2.567 5.831 1.00 7.28 H new ATOM 0 HG SER A 65 9.914 -3.039 4.159 1.00 10.56 H new ATOM 1046 N THR A 66 5.715 -4.877 6.477 1.00 4.48 N ATOM 1047 CA THR A 66 4.297 -5.079 6.560 1.00 3.80 C ATOM 1048 C THR A 66 3.574 -3.762 6.555 1.00 4.60 C ATOM 1049 O THR A 66 3.826 -2.923 7.470 1.00 5.33 O ATOM 1050 CB THR A 66 3.918 -5.983 7.773 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.490 -7.275 7.696 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.371 -6.164 7.800 1.00 3.40 C ATOM 0 H THR A 66 6.110 -4.612 7.379 1.00 4.48 H new ATOM 0 HA THR A 66 3.970 -5.621 5.673 1.00 3.80 H new ATOM 0 HB THR A 66 4.298 -5.489 8.668 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.222 -7.798 8.480 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.093 -6.795 8.644 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.892 -5.190 7.902 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.043 -6.634 6.873 1.00 3.40 H new ATOM 1060 N LEU A 67 2.727 -3.528 5.543 1.00 4.17 N ATOM 1061 CA LEU A 67 1.904 -2.346 5.364 1.00 3.85 C ATOM 1062 C LEU A 67 0.475 -2.683 5.884 1.00 3.80 C ATOM 1063 O LEU A 67 0.145 -3.856 5.938 1.00 5.54 O ATOM 1064 CB LEU A 67 1.822 -2.051 3.838 1.00 7.18 C ATOM 1065 CG LEU A 67 2.887 -1.137 3.218 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.255 -1.744 3.385 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.651 -0.975 1.731 1.00 11.66 C ATOM 0 H LEU A 67 2.598 -4.203 4.790 1.00 4.17 H new ATOM 0 HA LEU A 67 2.315 -1.489 5.897 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.855 -3.005 3.312 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.846 -1.610 3.636 1.00 7.18 H new ATOM 0 HG LEU A 67 2.824 -0.173 3.723 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.002 -1.086 2.941 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.469 -1.872 4.446 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.286 -2.714 2.889 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.417 -0.323 1.310 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.698 -1.950 1.247 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.668 -0.534 1.564 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.226 -1.616 6.164 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.581 -1.656 6.715 1.00 4.17 C ATOM 1081 C HIS A 68 -2.526 -1.068 5.583 1.00 5.32 C ATOM 1082 O HIS A 68 -2.251 -0.054 4.972 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.639 -0.879 7.936 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.754 -1.498 9.075 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.561 -1.231 9.127 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.957 -2.403 10.086 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.137 -1.964 10.155 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.193 -2.664 10.782 1.00 16.30 N ATOM 0 H HIS A 68 0.124 -0.669 6.017 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.895 -2.665 6.981 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.307 0.139 7.733 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.673 -0.815 8.275 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.912 -2.856 10.307 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.187 -1.966 10.407 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.303 -3.263 11.600 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.588 -1.803 5.274 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.656 -1.409 4.412 1.00 3.97 C ATOM 1098 C LEU A 69 -5.766 -0.879 5.339 1.00 5.07 C ATOM 1099 O LEU A 69 -6.225 -1.519 6.323 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.245 -2.671 3.606 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.479 -2.376 2.749 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.040 -1.416 1.615 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.948 -3.728 2.229 1.00 9.96 C ATOM 0 H LEU A 69 -3.718 -2.742 5.649 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.308 -0.673 3.688 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.461 -3.069 2.962 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.497 -3.454 4.321 1.00 6.08 H new ATOM 0 HG LEU A 69 -7.296 -1.894 3.286 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.897 -1.184 0.983 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.649 -0.496 2.049 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.265 -1.892 1.015 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.832 -3.591 1.605 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.154 -4.186 1.639 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.194 -4.376 3.070 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.176 0.399 4.992 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.248 1.156 5.618 1.00 6.26 C ATOM 1117 C VAL A 70 -7.956 1.611 4.404 1.00 9.22 C ATOM 1118 O VAL A 70 -7.416 1.601 3.297 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.705 2.276 6.510 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.768 3.328 6.993 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.997 1.672 7.724 1.00 8.54 C ATOM 0 H VAL A 70 -5.728 0.917 4.236 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.887 0.615 6.316 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.013 2.833 5.878 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.281 4.077 7.617 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.218 3.814 6.127 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.543 2.823 7.570 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.612 2.472 8.356 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.703 1.068 8.293 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.171 1.045 7.389 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.299 1.992 4.501 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.033 2.537 3.375 1.00 16.06 C ATOM 1133 C LEU A 71 -10.553 3.884 3.732 1.00 18.09 C ATOM 1134 O LEU A 71 -11.151 4.108 4.800 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.307 1.670 3.240 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.923 0.194 2.983 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.299 -0.413 2.718 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.032 -0.066 1.764 1.00 19.57 C ATOM 0 H LEU A 71 -9.848 1.914 5.357 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.397 2.566 2.490 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.905 1.745 4.148 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.923 2.041 2.421 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.337 -0.205 3.811 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.194 -1.479 2.515 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.934 -0.272 3.593 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.753 0.077 1.857 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.828 -1.134 1.683 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.540 0.275 0.862 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.093 0.475 1.878 1.00 19.57 H new