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 -65:sc= 1.9 USER MOD Set 1.2: A 57 SER OG : rot -33:sc= 0.767 USER MOD Set 2.1: A 7 THR OG1 : rot 107:sc= 0.226 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.236 USER MOD Single : A 1 MET CE :methyl -126:sc= -0.0155 (180deg=-0.115) USER MOD Single : A 1 MET N :NH3+ -173:sc= 2.48 (180deg=2.43) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= -0.0445 (180deg=-0.23) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.17) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0405 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 25 ASN : amide:sc=-0.00436 K(o=-0.0044,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.77) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.08 K(o=1.1,f=-5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.3) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.686 USER MOD Single : A 60 ASN : amide:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.0678 (180deg=-0.277) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.076 -7.369 -5.217 1.00 9.67 N ATOM 2 CA MET A 1 11.121 -7.399 -3.788 1.00 10.38 C ATOM 3 C MET A 1 9.789 -7.692 -3.145 1.00 9.62 C ATOM 4 O MET A 1 8.747 -7.233 -3.674 1.00 9.62 O ATOM 5 CB MET A 1 11.773 -6.078 -3.197 1.00 13.77 C ATOM 6 CG MET A 1 11.959 -5.944 -1.602 1.00 16.29 C ATOM 7 SD MET A 1 12.582 -4.396 -0.984 1.00 17.17 S ATOM 8 CE MET A 1 10.981 -3.483 -1.190 1.00 16.11 C ATOM 0 H1 MET A 1 12.042 -7.281 -5.593 1.00 9.67 H new ATOM 0 H2 MET A 1 10.646 -8.248 -5.569 1.00 9.67 H new ATOM 0 H3 MET A 1 10.508 -6.556 -5.529 1.00 9.67 H new ATOM 0 HA MET A 1 11.765 -8.240 -3.532 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.756 -5.964 -3.654 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.167 -5.235 -3.530 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.993 -6.131 -1.132 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.633 -6.735 -1.273 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.148 -2.585 -1.785 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.259 -4.124 -1.696 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.593 -3.203 -0.211 1.00 16.11 H new ATOM 20 N GLN A 2 9.791 -8.534 -2.037 1.00 9.27 N ATOM 21 CA GLN A 2 8.514 -8.922 -1.405 1.00 9.07 C ATOM 22 C GLN A 2 8.097 -7.886 -0.368 1.00 8.72 C ATOM 23 O GLN A 2 8.941 -7.308 0.305 1.00 8.22 O ATOM 24 CB GLN A 2 8.493 -10.378 -0.877 1.00 14.46 C ATOM 25 CG GLN A 2 7.244 -10.840 -0.085 1.00 17.01 C ATOM 26 CD GLN A 2 7.307 -12.378 0.081 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.102 -12.950 0.823 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.370 -13.017 -0.659 1.00 19.49 N ATOM 0 H GLN A 2 10.627 -8.924 -1.603 1.00 9.27 H new ATOM 0 HA GLN A 2 7.754 -8.925 -2.186 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.615 -11.046 -1.730 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.365 -10.515 -0.238 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.214 -10.355 0.891 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.334 -10.553 -0.612 1.00 17.01 H new ATOM 0 HE21 GLN A 2 5.739 -12.482 -1.256 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.295 -14.033 -0.619 1.00 19.49 H new ATOM 37 N ILE A 3 6.758 -7.585 -0.236 1.00 5.87 N ATOM 38 CA ILE A 3 6.151 -6.819 0.798 1.00 5.07 C ATOM 39 C ILE A 3 4.793 -7.499 1.131 1.00 4.01 C ATOM 40 O ILE A 3 4.164 -8.230 0.377 1.00 4.61 O ATOM 41 CB ILE A 3 5.933 -5.340 0.486 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.084 -5.055 -0.750 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.332 -4.654 0.421 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.560 -3.607 -1.007 1.00 10.83 C ATOM 0 H ILE A 3 6.073 -7.914 -0.916 1.00 5.87 H new ATOM 0 HA ILE A 3 6.843 -6.810 1.640 1.00 5.07 H new ATOM 0 HB ILE A 3 5.332 -4.915 1.290 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.668 -5.350 -1.622 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.216 -5.714 -0.709 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.208 -3.594 0.199 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.838 -4.767 1.380 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.930 -5.121 -0.362 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.976 -3.589 -1.927 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.932 -3.294 -0.173 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.405 -2.925 -1.100 1.00 10.83 H new ATOM 56 N PHE A 4 4.394 -7.361 2.427 1.00 4.55 N ATOM 57 CA PHE A 4 3.253 -7.953 3.085 1.00 4.68 C ATOM 58 C PHE A 4 2.287 -6.810 3.412 1.00 5.30 C ATOM 59 O PHE A 4 2.703 -5.811 4.020 1.00 5.58 O ATOM 60 CB PHE A 4 3.751 -8.619 4.438 1.00 4.83 C ATOM 61 CG PHE A 4 4.386 -9.957 4.261 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.693 -10.049 3.678 1.00 8.34 C ATOM 63 CD2 PHE A 4 3.835 -11.127 4.859 1.00 6.69 C ATOM 64 CE1 PHE A 4 6.247 -11.391 3.627 1.00 10.61 C ATOM 65 CE2 PHE A 4 4.381 -12.378 4.737 1.00 9.10 C ATOM 66 CZ PHE A 4 5.569 -12.571 4.101 1.00 8.90 C ATOM 0 H PHE A 4 4.927 -6.777 3.071 1.00 4.55 H new ATOM 0 HA PHE A 4 2.770 -8.706 2.462 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.466 -7.950 4.918 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.903 -8.718 5.115 1.00 4.83 H new ATOM 0 HD1 PHE A 4 6.225 -9.186 3.305 1.00 8.34 H new ATOM 0 HD2 PHE A 4 2.933 -11.022 5.443 1.00 6.69 H new ATOM 0 HE1 PHE A 4 7.234 -11.513 3.205 1.00 10.61 H new ATOM 0 HE2 PHE A 4 3.859 -13.227 5.153 1.00 9.10 H new ATOM 0 HZ PHE A 4 5.983 -13.559 3.959 1.00 8.90 H new ATOM 76 N VAL A 5 1.006 -6.857 3.046 1.00 4.44 N ATOM 77 CA VAL A 5 0.102 -5.713 3.172 1.00 3.87 C ATOM 78 C VAL A 5 -1.127 -6.192 3.904 1.00 4.93 C ATOM 79 O VAL A 5 -1.694 -7.125 3.410 1.00 6.84 O ATOM 80 CB VAL A 5 -0.259 -4.976 1.856 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.154 -3.791 2.030 1.00 5.28 C ATOM 82 CG2 VAL A 5 1.064 -4.612 1.117 1.00 9.13 C ATOM 0 H VAL A 5 0.565 -7.689 2.654 1.00 4.44 H new ATOM 0 HA VAL A 5 0.634 -4.941 3.728 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.856 -5.657 1.249 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.353 -3.339 1.058 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.094 -4.108 2.482 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.669 -3.061 2.677 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.831 -4.092 0.188 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.669 -3.965 1.752 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.619 -5.523 0.894 1.00 9.13 H new ATOM 92 N LYS A 6 -1.539 -5.562 5.070 1.00 6.04 N ATOM 93 CA LYS A 6 -2.590 -6.142 5.889 1.00 6.12 C ATOM 94 C LYS A 6 -3.990 -5.564 5.753 1.00 6.57 C ATOM 95 O LYS A 6 -4.185 -4.370 6.053 1.00 5.76 O ATOM 96 CB LYS A 6 -2.192 -6.218 7.387 1.00 7.45 C ATOM 97 CG LYS A 6 -1.147 -7.364 7.600 1.00 11.12 C ATOM 98 CD LYS A 6 -0.663 -7.483 9.052 1.00 14.54 C ATOM 99 CE LYS A 6 0.525 -8.418 9.230 1.00 18.84 C ATOM 100 NZ LYS A 6 1.194 -8.179 10.554 1.00 20.55 N ATOM 0 H LYS A 6 -1.153 -4.686 5.422 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.671 -7.141 5.462 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.772 -5.265 7.710 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.075 -6.401 7.999 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.590 -8.312 7.293 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.289 -7.189 6.952 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.391 -6.492 9.417 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.487 -7.836 9.672 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.192 -9.454 9.167 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.240 -8.263 8.422 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.102 -8.686 10.581 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.363 -7.160 10.679 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.581 -8.525 11.320 1.00 20.55 H new ATOM 114 N THR A 7 -4.990 -6.332 5.273 1.00 7.41 N ATOM 115 CA THR A 7 -6.366 -5.891 5.045 1.00 7.48 C ATOM 116 C THR A 7 -7.055 -6.076 6.376 1.00 8.75 C ATOM 117 O THR A 7 -6.659 -6.811 7.320 1.00 8.58 O ATOM 118 CB THR A 7 -7.107 -6.583 3.934 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.186 -7.989 4.093 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.345 -6.422 2.575 1.00 9.17 C ATOM 0 H THR A 7 -4.847 -7.312 5.027 1.00 7.41 H new ATOM 0 HA THR A 7 -6.356 -4.858 4.696 1.00 7.48 H new ATOM 0 HB THR A 7 -8.095 -6.124 3.952 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.100 -8.239 4.342 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.898 -6.930 1.785 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.255 -5.363 2.332 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.351 -6.860 2.661 1.00 9.17 H new ATOM 128 N LEU A 8 -8.196 -5.316 6.623 1.00 9.84 N ATOM 129 CA LEU A 8 -8.972 -5.375 7.852 1.00 14.15 C ATOM 130 C LEU A 8 -9.542 -6.761 8.153 1.00 17.37 C ATOM 131 O LEU A 8 -9.826 -7.156 9.276 1.00 17.01 O ATOM 132 CB LEU A 8 -10.050 -4.321 7.770 1.00 16.63 C ATOM 133 CG LEU A 8 -9.683 -2.834 7.549 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.924 -2.018 7.168 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.015 -2.263 8.808 1.00 18.59 C ATOM 0 H LEU A 8 -8.571 -4.654 5.944 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.309 -5.174 8.693 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.721 -4.610 6.961 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.624 -4.376 8.695 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.975 -2.768 6.722 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.642 -0.976 7.018 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.352 -2.415 6.247 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.662 -2.083 7.968 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.761 -1.216 8.642 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.702 -2.340 9.651 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.108 -2.827 9.026 1.00 18.59 H new ATOM 147 N THR A 9 -9.677 -7.558 7.150 1.00 18.33 N ATOM 148 CA THR A 9 -10.476 -8.799 7.170 1.00 19.24 C ATOM 149 C THR A 9 -9.575 -10.006 7.504 1.00 19.48 C ATOM 150 O THR A 9 -9.880 -11.162 7.228 1.00 23.14 O ATOM 151 CB THR A 9 -11.070 -9.100 5.823 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.065 -8.929 4.833 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.188 -8.184 5.513 1.00 19.70 C ATOM 0 H THR A 9 -9.231 -7.385 6.249 1.00 18.33 H new ATOM 0 HA THR A 9 -11.259 -8.647 7.913 1.00 19.24 H new ATOM 0 HB THR A 9 -11.447 -10.123 5.834 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.440 -9.124 3.949 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.596 -8.427 4.532 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.967 -8.292 6.268 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.826 -7.156 5.510 1.00 19.70 H new ATOM 161 N GLY A 10 -8.402 -9.641 8.116 1.00 19.43 N ATOM 162 CA GLY A 10 -7.522 -10.624 8.763 1.00 18.74 C ATOM 163 C GLY A 10 -6.584 -11.470 7.858 1.00 17.62 C ATOM 164 O GLY A 10 -5.883 -12.452 8.227 1.00 19.74 O ATOM 0 H GLY A 10 -8.063 -8.680 8.165 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.901 -10.093 9.484 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.149 -11.312 9.329 1.00 18.74 H new ATOM 168 N LYS A 11 -6.498 -11.020 6.592 1.00 13.56 N ATOM 169 CA LYS A 11 -5.630 -11.504 5.629 1.00 11.91 C ATOM 170 C LYS A 11 -4.330 -10.655 5.485 1.00 10.18 C ATOM 171 O LYS A 11 -4.390 -9.452 5.817 1.00 9.10 O ATOM 172 CB LYS A 11 -6.424 -11.545 4.345 1.00 13.43 C ATOM 173 CG LYS A 11 -5.723 -12.301 3.208 1.00 16.69 C ATOM 174 CD LYS A 11 -6.633 -12.543 2.008 1.00 17.92 C ATOM 175 CE LYS A 11 -5.970 -13.360 0.851 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.901 -13.532 -0.280 1.00 21.93 N ATOM 0 H LYS A 11 -7.089 -10.264 6.245 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.266 -12.492 5.910 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.389 -12.014 4.540 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.625 -10.524 4.020 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.849 -11.735 2.887 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.362 -13.259 3.583 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.525 -13.071 2.344 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.961 -11.580 1.616 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.070 -12.849 0.510 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.660 -14.337 1.223 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.419 -14.033 -1.053 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.725 -14.085 0.030 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.216 -12.599 -0.615 1.00 21.93 H new ATOM 190 N THR A 12 -3.221 -11.277 5.039 1.00 9.63 N ATOM 191 CA THR A 12 -2.103 -10.542 4.482 1.00 9.85 C ATOM 192 C THR A 12 -1.817 -10.977 3.068 1.00 11.66 C ATOM 193 O THR A 12 -1.352 -12.100 2.817 1.00 12.33 O ATOM 194 CB THR A 12 -0.840 -10.794 5.307 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.021 -10.687 6.717 1.00 10.91 O ATOM 196 CG2 THR A 12 0.221 -9.819 4.936 1.00 9.63 C ATOM 0 H THR A 12 -3.090 -12.288 5.060 1.00 9.63 H new ATOM 0 HA THR A 12 -2.371 -9.486 4.498 1.00 9.85 H new ATOM 0 HB THR A 12 -0.564 -11.823 5.077 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.170 -10.863 7.170 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.114 -10.010 5.531 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.460 -9.926 3.878 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.133 -8.806 5.127 1.00 9.63 H new ATOM 204 N ILE A 13 -1.956 -10.101 2.096 1.00 10.42 N ATOM 205 CA ILE A 13 -1.496 -10.249 0.750 1.00 11.84 C ATOM 206 C ILE A 13 -0.036 -9.879 0.631 1.00 10.55 C ATOM 207 O ILE A 13 0.442 -8.857 1.139 1.00 11.92 O ATOM 208 CB ILE A 13 -2.281 -9.495 -0.285 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.431 -7.946 -0.003 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.695 -10.183 -0.437 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.306 -7.168 -0.954 1.00 16.46 C ATOM 0 H ILE A 13 -2.427 -9.209 2.246 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.648 -11.307 0.534 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.717 -9.546 -1.216 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.827 -7.820 1.005 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.436 -7.500 -0.013 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.281 -9.649 -1.185 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.564 -11.219 -0.750 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.217 -10.156 0.519 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.328 -6.120 -0.654 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.906 -7.248 -1.965 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.318 -7.573 -0.931 1.00 16.46 H new ATOM 223 N THR A 14 0.662 -10.667 -0.200 1.00 9.39 N ATOM 224 CA THR A 14 2.055 -10.341 -0.518 1.00 9.63 C ATOM 225 C THR A 14 2.209 -9.898 -1.963 1.00 11.20 C ATOM 226 O THR A 14 1.642 -10.437 -2.930 1.00 11.63 O ATOM 227 CB THR A 14 3.051 -11.465 -0.289 1.00 10.38 C ATOM 228 OG1 THR A 14 2.536 -12.751 -0.613 1.00 16.30 O ATOM 229 CG2 THR A 14 3.235 -11.514 1.221 1.00 11.66 C ATOM 0 H THR A 14 0.298 -11.507 -0.650 1.00 9.39 H new ATOM 0 HA THR A 14 2.287 -9.537 0.181 1.00 9.63 H new ATOM 0 HB THR A 14 3.936 -11.271 -0.895 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.223 -13.430 -0.446 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.943 -12.303 1.476 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.618 -10.556 1.572 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.276 -11.719 1.698 1.00 11.66 H new ATOM 237 N LEU A 15 3.010 -8.804 -2.165 1.00 8.29 N ATOM 238 CA LEU A 15 3.111 -8.016 -3.425 1.00 9.03 C ATOM 239 C LEU A 15 4.540 -8.046 -3.960 1.00 8.59 C ATOM 240 O LEU A 15 5.490 -8.282 -3.193 1.00 7.79 O ATOM 241 CB LEU A 15 2.679 -6.549 -3.122 1.00 11.08 C ATOM 242 CG LEU A 15 1.256 -6.503 -2.444 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.810 -5.007 -2.439 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.163 -7.235 -3.254 1.00 15.27 C ATOM 0 H LEU A 15 3.618 -8.441 -1.431 1.00 8.29 H new ATOM 0 HA LEU A 15 2.460 -8.448 -4.185 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.412 -6.079 -2.467 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.663 -5.973 -4.047 1.00 11.08 H new ATOM 0 HG LEU A 15 1.350 -6.972 -1.464 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.174 -4.922 -1.978 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.529 -4.415 -1.872 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.763 -4.638 -3.464 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.789 -7.163 -2.728 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.070 -6.775 -4.238 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.436 -8.284 -3.368 1.00 15.27 H new ATOM 256 N GLU A 16 4.722 -7.815 -5.244 1.00 11.04 N ATOM 257 CA GLU A 16 6.105 -7.976 -5.813 1.00 11.50 C ATOM 258 C GLU A 16 6.440 -6.596 -6.503 1.00 10.13 C ATOM 259 O GLU A 16 5.742 -6.212 -7.449 1.00 9.83 O ATOM 260 CB GLU A 16 6.189 -9.228 -6.721 1.00 17.22 C ATOM 261 CG GLU A 16 7.586 -9.701 -7.226 1.00 23.33 C ATOM 262 CD GLU A 16 8.546 -10.108 -6.151 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.345 -11.175 -5.526 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.680 -9.491 -6.095 1.00 28.86 O ATOM 0 H GLU A 16 3.998 -7.531 -5.904 1.00 11.04 H new ATOM 0 HA GLU A 16 6.867 -8.178 -5.060 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.736 -10.059 -6.180 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.568 -9.042 -7.597 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.444 -10.544 -7.903 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.036 -8.897 -7.808 1.00 23.33 H new ATOM 271 N VAL A 17 7.490 -5.917 -5.994 1.00 8.99 N ATOM 272 CA VAL A 17 7.724 -4.548 -6.359 1.00 8.85 C ATOM 273 C VAL A 17 9.210 -4.296 -6.214 1.00 8.04 C ATOM 274 O VAL A 17 9.943 -4.946 -5.512 1.00 8.99 O ATOM 275 CB VAL A 17 6.959 -3.489 -5.558 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.493 -3.331 -6.060 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.005 -3.752 -4.045 1.00 10.54 C ATOM 0 H VAL A 17 8.168 -6.308 -5.340 1.00 8.99 H new ATOM 0 HA VAL A 17 7.352 -4.436 -7.377 1.00 8.85 H new ATOM 0 HB VAL A 17 7.471 -2.543 -5.732 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.985 -2.571 -5.466 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.498 -3.030 -7.108 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.969 -4.281 -5.958 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.448 -2.974 -3.523 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.558 -4.723 -3.831 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.041 -3.746 -3.706 1.00 10.54 H new ATOM 287 N GLU A 18 9.688 -3.402 -7.066 1.00 7.29 N ATOM 288 CA GLU A 18 11.000 -2.804 -6.804 1.00 7.08 C ATOM 289 C GLU A 18 10.803 -1.703 -5.750 1.00 6.45 C ATOM 290 O GLU A 18 9.731 -1.146 -5.661 1.00 5.28 O ATOM 291 CB GLU A 18 11.619 -2.087 -8.049 1.00 10.28 C ATOM 292 CG GLU A 18 11.981 -3.177 -9.084 1.00 12.65 C ATOM 293 CD GLU A 18 13.058 -4.090 -8.623 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.256 -3.639 -8.440 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.862 -5.274 -8.429 1.00 14.33 O ATOM 0 H GLU A 18 9.216 -3.081 -7.911 1.00 7.29 H new ATOM 0 HA GLU A 18 11.663 -3.614 -6.499 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.910 -1.376 -8.473 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.505 -1.521 -7.763 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.090 -3.763 -9.311 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.293 -2.698 -10.012 1.00 12.65 H new ATOM 302 N PRO A 19 11.796 -1.349 -4.890 1.00 7.24 N ATOM 303 CA PRO A 19 11.712 -0.236 -3.899 1.00 7.07 C ATOM 304 C PRO A 19 11.667 1.090 -4.648 1.00 6.65 C ATOM 305 O PRO A 19 11.408 2.095 -4.006 1.00 6.37 O ATOM 306 CB PRO A 19 13.021 -0.331 -3.111 1.00 7.61 C ATOM 307 CG PRO A 19 13.970 -1.032 -4.140 1.00 8.16 C ATOM 308 CD PRO A 19 13.101 -2.002 -4.867 1.00 7.49 C ATOM 0 HA PRO A 19 10.832 -0.298 -3.259 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.392 0.651 -2.817 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.906 -0.915 -2.198 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.413 -0.309 -4.825 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.793 -1.540 -3.636 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.471 -2.193 -5.874 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.059 -2.963 -4.355 1.00 7.49 H new ATOM 316 N SER A 20 11.806 1.093 -5.991 1.00 6.80 N ATOM 317 CA SER A 20 11.720 2.319 -6.788 1.00 6.28 C ATOM 318 C SER A 20 10.397 2.485 -7.482 1.00 8.45 C ATOM 319 O SER A 20 10.202 3.423 -8.283 1.00 7.26 O ATOM 320 CB SER A 20 12.937 2.195 -7.781 1.00 8.57 C ATOM 321 OG SER A 20 12.791 1.038 -8.650 1.00 11.13 O ATOM 0 H SER A 20 11.979 0.252 -6.541 1.00 6.80 H new ATOM 0 HA SER A 20 11.775 3.219 -6.176 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.011 3.100 -8.385 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.865 2.113 -7.215 1.00 8.57 H new ATOM 0 HG SER A 20 13.559 0.986 -9.257 1.00 11.13 H new ATOM 327 N ASP A 21 9.466 1.568 -7.167 1.00 7.50 N ATOM 328 CA ASP A 21 8.125 1.613 -7.655 1.00 7.70 C ATOM 329 C ASP A 21 7.387 2.703 -6.873 1.00 7.08 C ATOM 330 O ASP A 21 7.682 2.895 -5.661 1.00 8.11 O ATOM 331 CB ASP A 21 7.331 0.238 -7.648 1.00 11.00 C ATOM 332 CG ASP A 21 7.855 -0.794 -8.602 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.366 -0.405 -9.697 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.713 -2.035 -8.359 1.00 18.03 O ATOM 0 H ASP A 21 9.652 0.773 -6.556 1.00 7.50 H new ATOM 0 HA ASP A 21 8.178 1.843 -8.719 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.355 -0.174 -6.639 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.286 0.436 -7.887 1.00 11.00 H new ATOM 339 N THR A 22 6.422 3.435 -7.434 1.00 5.37 N ATOM 340 CA THR A 22 5.575 4.426 -6.751 1.00 6.01 C ATOM 341 C THR A 22 4.597 3.737 -5.790 1.00 8.01 C ATOM 342 O THR A 22 4.326 2.543 -5.892 1.00 8.11 O ATOM 343 CB THR A 22 4.818 5.322 -7.756 1.00 8.92 C ATOM 344 OG1 THR A 22 4.011 4.521 -8.597 1.00 10.22 O ATOM 345 CG2 THR A 22 5.773 6.080 -8.682 1.00 9.65 C ATOM 0 H THR A 22 6.196 3.352 -8.425 1.00 5.37 H new ATOM 0 HA THR A 22 6.232 5.072 -6.169 1.00 6.01 H new ATOM 0 HB THR A 22 4.232 6.025 -7.164 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.531 5.093 -9.232 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.197 6.697 -9.372 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.429 6.716 -8.087 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.374 5.367 -9.247 1.00 9.65 H new ATOM 353 N ILE A 23 4.024 4.474 -4.785 1.00 8.32 N ATOM 354 CA ILE A 23 2.986 4.035 -3.898 1.00 9.92 C ATOM 355 C ILE A 23 1.671 3.882 -4.621 1.00 10.01 C ATOM 356 O ILE A 23 0.928 3.006 -4.211 1.00 8.71 O ATOM 357 CB ILE A 23 2.860 4.912 -2.693 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.114 5.021 -1.800 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.647 4.758 -1.843 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.806 3.748 -1.367 1.00 12.30 C ATOM 0 H ILE A 23 4.315 5.433 -4.594 1.00 8.32 H new ATOM 0 HA ILE A 23 3.275 3.049 -3.534 1.00 9.92 H new ATOM 0 HB ILE A 23 2.734 5.859 -3.219 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.845 5.632 -2.329 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.833 5.568 -0.900 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.696 5.458 -1.009 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.757 4.964 -2.438 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.599 3.739 -1.459 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.667 3.995 -0.746 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.111 3.132 -0.796 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.139 3.198 -2.247 1.00 12.30 H new ATOM 372 N GLU A 24 1.366 4.685 -5.648 1.00 9.54 N ATOM 373 CA GLU A 24 0.324 4.385 -6.599 1.00 11.81 C ATOM 374 C GLU A 24 0.458 3.048 -7.401 1.00 11.14 C ATOM 375 O GLU A 24 -0.584 2.444 -7.705 1.00 10.62 O ATOM 376 CB GLU A 24 0.241 5.596 -7.594 1.00 19.24 C ATOM 377 CG GLU A 24 -1.079 5.591 -8.433 1.00 27.76 C ATOM 378 CD GLU A 24 -1.120 6.687 -9.547 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.169 7.863 -9.200 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.119 6.309 -10.733 1.00 36.51 O ATOM 0 H GLU A 24 1.848 5.565 -5.831 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.583 4.235 -6.014 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.308 6.528 -7.033 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.097 5.567 -8.268 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.202 4.611 -8.895 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.926 5.735 -7.762 1.00 27.76 H new ATOM 387 N ASN A 25 1.671 2.616 -7.787 1.00 9.43 N ATOM 388 CA ASN A 25 1.890 1.269 -8.352 1.00 10.96 C ATOM 389 C ASN A 25 1.629 0.135 -7.380 1.00 9.68 C ATOM 390 O ASN A 25 1.075 -0.875 -7.663 1.00 9.33 O ATOM 391 CB ASN A 25 3.293 1.276 -9.001 1.00 16.78 C ATOM 392 CG ASN A 25 3.516 0.100 -9.925 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.535 -0.553 -9.714 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.698 -0.137 -10.970 1.00 24.70 N ATOM 0 H ASN A 25 2.518 3.180 -7.719 1.00 9.43 H new ATOM 0 HA ASN A 25 1.145 1.055 -9.118 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.425 2.202 -9.560 1.00 16.78 H new ATOM 0 HB3 ASN A 25 4.051 1.266 -8.218 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.914 -0.886 -11.627 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.863 0.433 -11.103 1.00 24.70 H new ATOM 401 N VAL A 26 1.998 0.307 -6.090 1.00 6.52 N ATOM 402 CA VAL A 26 1.561 -0.567 -5.003 1.00 5.53 C ATOM 403 C VAL A 26 -0.002 -0.728 -4.881 1.00 4.42 C ATOM 404 O VAL A 26 -0.516 -1.782 -4.649 1.00 3.40 O ATOM 405 CB VAL A 26 2.075 -0.171 -3.611 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.770 -1.174 -2.463 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.642 -0.067 -3.772 1.00 8.12 C ATOM 0 H VAL A 26 2.610 1.063 -5.784 1.00 6.52 H new ATOM 0 HA VAL A 26 2.011 -1.513 -5.304 1.00 5.53 H new ATOM 0 HB VAL A 26 1.568 0.748 -3.315 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.179 -0.792 -1.528 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.691 -1.297 -2.364 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.225 -2.138 -2.691 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.088 0.213 -2.818 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.040 -1.031 -4.090 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.882 0.689 -4.520 1.00 8.12 H new ATOM 417 N LYS A 27 -0.738 0.328 -5.114 1.00 2.64 N ATOM 418 CA LYS A 27 -2.226 0.292 -5.154 1.00 4.14 C ATOM 419 C LYS A 27 -2.690 -0.588 -6.345 1.00 5.58 C ATOM 420 O LYS A 27 -3.732 -1.268 -6.144 1.00 4.11 O ATOM 421 CB LYS A 27 -2.979 1.736 -5.267 1.00 3.97 C ATOM 422 CG LYS A 27 -2.675 2.594 -4.034 1.00 7.45 C ATOM 423 CD LYS A 27 -3.362 3.927 -4.113 1.00 9.02 C ATOM 424 CE LYS A 27 -2.781 4.911 -3.075 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.495 6.167 -3.079 1.00 15.47 N ATOM 0 H LYS A 27 -0.346 1.254 -5.285 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.512 -0.117 -4.185 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.652 2.254 -6.168 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.055 1.586 -5.358 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.998 2.069 -3.135 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.599 2.742 -3.948 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.248 4.340 -5.115 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.431 3.800 -3.941 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.832 4.466 -2.081 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.728 5.089 -3.291 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.079 6.805 -2.371 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.425 6.603 -4.021 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.495 5.999 -2.849 1.00 15.47 H new ATOM 439 N ALA A 28 -2.081 -0.551 -7.561 1.00 6.61 N ATOM 440 CA ALA A 28 -2.416 -1.513 -8.650 1.00 7.74 C ATOM 441 C ALA A 28 -2.349 -2.968 -8.269 1.00 9.17 C ATOM 442 O ALA A 28 -3.287 -3.759 -8.440 1.00 11.45 O ATOM 443 CB ALA A 28 -1.528 -1.355 -9.822 1.00 7.68 C ATOM 0 H ALA A 28 -1.362 0.128 -7.812 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.451 -1.258 -8.877 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.808 -2.076 -10.590 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.626 -0.345 -10.219 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.495 -1.528 -9.522 1.00 7.68 H new ATOM 449 N LYS A 29 -1.224 -3.343 -7.590 1.00 8.96 N ATOM 450 CA LYS A 29 -0.995 -4.660 -6.993 1.00 7.90 C ATOM 451 C LYS A 29 -2.003 -5.116 -5.963 1.00 6.92 C ATOM 452 O LYS A 29 -2.605 -6.193 -6.125 1.00 6.87 O ATOM 453 CB LYS A 29 0.470 -4.598 -6.392 1.00 10.28 C ATOM 454 CG LYS A 29 1.585 -4.100 -7.326 1.00 14.94 C ATOM 455 CD LYS A 29 1.739 -4.986 -8.527 1.00 19.69 C ATOM 456 CE LYS A 29 2.790 -4.563 -9.621 1.00 22.63 C ATOM 457 NZ LYS A 29 2.942 -5.601 -10.754 1.00 24.98 N ATOM 0 H LYS A 29 -0.440 -2.706 -7.449 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.115 -5.417 -7.768 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.449 -3.952 -5.514 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.738 -5.597 -6.047 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.362 -3.083 -7.650 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.527 -4.061 -6.779 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.004 -5.983 -8.176 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.766 -5.067 -9.011 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.492 -3.607 -10.051 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.759 -4.410 -9.145 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.647 -5.265 -11.441 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.254 -6.509 -10.354 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.027 -5.730 -11.232 1.00 24.98 H new ATOM 471 N ILE A 30 -2.392 -4.256 -5.037 1.00 4.57 N ATOM 472 CA ILE A 30 -3.469 -4.417 -4.088 1.00 5.58 C ATOM 473 C ILE A 30 -4.783 -4.564 -4.745 1.00 7.26 C ATOM 474 O ILE A 30 -5.661 -5.386 -4.370 1.00 9.46 O ATOM 475 CB ILE A 30 -3.486 -3.273 -3.081 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.192 -3.205 -2.248 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.704 -3.191 -2.173 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.015 -1.978 -1.267 1.00 2.00 C ATOM 0 H ILE A 30 -1.922 -3.358 -4.925 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.280 -5.346 -3.550 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.554 -2.395 -3.723 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.124 -4.119 -1.658 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.348 -3.208 -2.938 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.601 -2.338 -1.502 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.602 -3.069 -2.779 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.783 -4.107 -1.587 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.060 -2.062 -0.748 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.037 -1.050 -1.838 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.825 -1.975 -0.538 1.00 2.00 H new ATOM 490 N GLN A 31 -5.034 -3.774 -5.811 1.00 7.06 N ATOM 491 CA GLN A 31 -6.348 -3.880 -6.544 1.00 8.67 C ATOM 492 C GLN A 31 -6.496 -5.166 -7.289 1.00 10.90 C ATOM 493 O GLN A 31 -7.539 -5.790 -7.218 1.00 9.63 O ATOM 494 CB GLN A 31 -6.566 -2.679 -7.490 1.00 9.12 C ATOM 495 CG GLN A 31 -7.940 -2.711 -8.200 1.00 10.76 C ATOM 496 CD GLN A 31 -8.197 -1.566 -9.150 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.326 -1.070 -9.294 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.197 -1.106 -9.869 1.00 14.76 N ATOM 0 H GLN A 31 -4.386 -3.080 -6.184 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.122 -3.864 -5.777 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.479 -1.754 -6.920 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.776 -2.666 -8.240 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.024 -3.647 -8.752 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.723 -2.717 -7.442 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.265 -1.505 -9.760 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.354 -0.350 -10.536 1.00 14.76 H new ATOM 507 N ASP A 32 -5.435 -5.622 -7.972 1.00 10.93 N ATOM 508 CA ASP A 32 -5.397 -6.934 -8.672 1.00 14.01 C ATOM 509 C ASP A 32 -5.643 -8.148 -7.791 1.00 14.04 C ATOM 510 O ASP A 32 -6.343 -9.056 -8.183 1.00 13.39 O ATOM 511 CB ASP A 32 -3.958 -6.947 -9.245 1.00 18.01 C ATOM 512 CG ASP A 32 -3.715 -7.940 -10.363 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.275 -7.802 -11.466 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.816 -8.824 -10.175 1.00 26.29 O ATOM 0 H ASP A 32 -4.567 -5.093 -8.060 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.198 -7.015 -9.407 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.721 -5.948 -9.611 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.263 -7.162 -8.433 1.00 18.01 H new ATOM 519 N LYS A 33 -5.173 -8.023 -6.555 1.00 14.22 N ATOM 520 CA LYS A 33 -5.360 -9.091 -5.592 1.00 14.00 C ATOM 521 C LYS A 33 -6.813 -9.149 -4.999 1.00 12.37 C ATOM 522 O LYS A 33 -7.385 -10.209 -5.064 1.00 12.17 O ATOM 523 CB LYS A 33 -4.383 -8.734 -4.403 1.00 18.62 C ATOM 524 CG LYS A 33 -2.914 -9.120 -4.577 1.00 24.00 C ATOM 525 CD LYS A 33 -2.650 -10.613 -4.496 1.00 27.61 C ATOM 526 CE LYS A 33 -1.188 -10.924 -4.257 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.882 -12.372 -4.371 1.00 30.06 N ATOM 0 H LYS A 33 -4.670 -7.208 -6.205 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.176 -10.050 -6.075 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.434 -7.658 -4.233 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.756 -9.217 -3.500 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.565 -8.752 -5.542 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.324 -8.616 -3.811 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.247 -11.042 -3.692 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.974 -11.088 -5.422 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.582 -10.372 -4.975 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.904 -10.574 -3.264 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.132 -12.527 -4.198 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.438 -12.901 -3.669 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.125 -12.704 -5.326 1.00 30.06 H new ATOM 541 N GLU A 34 -7.317 -8.028 -4.477 1.00 10.11 N ATOM 542 CA GLU A 34 -8.379 -8.116 -3.503 1.00 10.07 C ATOM 543 C GLU A 34 -9.598 -7.343 -3.976 1.00 9.32 C ATOM 544 O GLU A 34 -10.684 -7.360 -3.374 1.00 11.61 O ATOM 545 CB GLU A 34 -7.910 -7.585 -2.143 1.00 14.77 C ATOM 546 CG GLU A 34 -7.119 -8.584 -1.317 1.00 18.75 C ATOM 547 CD GLU A 34 -7.879 -9.826 -0.963 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.915 -9.643 -0.284 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.453 -10.967 -1.299 1.00 25.19 O ATOM 0 H GLU A 34 -7.012 -7.083 -4.710 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.653 -9.165 -3.389 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.296 -6.699 -2.305 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.782 -7.268 -1.570 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.222 -8.865 -1.869 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.789 -8.099 -0.398 1.00 18.75 H new ATOM 556 N GLY A 35 -9.407 -6.664 -5.187 1.00 7.22 N ATOM 557 CA GLY A 35 -10.508 -5.956 -5.845 1.00 6.29 C ATOM 558 C GLY A 35 -10.876 -4.557 -5.277 1.00 6.93 C ATOM 559 O GLY A 35 -12.007 -4.126 -5.419 1.00 7.41 O ATOM 0 H GLY A 35 -8.516 -6.616 -5.681 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.256 -5.840 -6.899 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.395 -6.587 -5.797 1.00 6.29 H new ATOM 563 N ILE A 36 -9.923 -3.899 -4.603 1.00 5.86 N ATOM 564 CA ILE A 36 -10.216 -2.666 -3.899 1.00 6.07 C ATOM 565 C ILE A 36 -9.765 -1.505 -4.804 1.00 6.36 C ATOM 566 O ILE A 36 -8.525 -1.340 -4.923 1.00 6.18 O ATOM 567 CB ILE A 36 -9.541 -2.555 -2.567 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.831 -3.766 -1.643 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.022 -1.289 -1.787 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.762 -4.026 -0.574 1.00 9.49 C ATOM 0 H ILE A 36 -8.952 -4.206 -4.537 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.286 -2.641 -3.691 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.477 -2.504 -2.798 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.789 -3.607 -1.148 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.934 -4.659 -2.259 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.512 -1.239 -0.825 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.791 -0.395 -2.367 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.098 -1.349 -1.625 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.049 -4.891 0.025 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.804 -4.220 -1.057 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.672 -3.152 0.071 1.00 9.49 H new ATOM 582 N PRO A 37 -10.557 -0.688 -5.496 1.00 8.65 N ATOM 583 CA PRO A 37 -10.065 0.419 -6.304 1.00 9.18 C ATOM 584 C PRO A 37 -9.103 1.394 -5.569 1.00 9.85 C ATOM 585 O PRO A 37 -9.392 1.733 -4.399 1.00 8.51 O ATOM 586 CB PRO A 37 -11.289 1.128 -6.782 1.00 11.42 C ATOM 587 CG PRO A 37 -12.452 0.096 -6.660 1.00 9.27 C ATOM 588 CD PRO A 37 -12.008 -0.691 -5.458 1.00 8.33 C ATOM 0 HA PRO A 37 -9.449 0.028 -7.113 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.488 2.014 -6.180 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.170 1.463 -7.812 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.417 0.578 -6.504 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.546 -0.527 -7.550 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.376 -0.239 -4.537 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.398 -1.708 -5.491 1.00 8.33 H new ATOM 596 N PRO A 38 -7.964 1.917 -6.133 1.00 8.71 N ATOM 597 CA PRO A 38 -7.100 2.963 -5.539 1.00 9.08 C ATOM 598 C PRO A 38 -7.630 4.022 -4.636 1.00 9.28 C ATOM 599 O PRO A 38 -6.900 4.326 -3.668 1.00 6.50 O ATOM 600 CB PRO A 38 -6.349 3.537 -6.718 1.00 10.31 C ATOM 601 CG PRO A 38 -6.180 2.317 -7.652 1.00 10.81 C ATOM 602 CD PRO A 38 -7.477 1.501 -7.416 1.00 12.00 C ATOM 0 HA PRO A 38 -6.513 2.452 -4.776 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.907 4.340 -7.200 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.387 3.953 -6.420 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.080 2.620 -8.694 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.291 1.739 -7.401 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.212 1.697 -8.197 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.275 0.430 -7.431 1.00 12.00 H new ATOM 610 N ASP A 39 -8.772 4.618 -4.918 1.00 11.20 N ATOM 611 CA ASP A 39 -9.261 5.708 -4.116 1.00 14.96 C ATOM 612 C ASP A 39 -9.810 5.186 -2.770 1.00 13.99 C ATOM 613 O ASP A 39 -10.012 5.993 -1.831 1.00 13.75 O ATOM 614 CB ASP A 39 -10.291 6.541 -4.787 1.00 24.16 C ATOM 615 CG ASP A 39 -9.655 7.324 -5.975 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.592 7.945 -5.794 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.272 7.283 -7.078 1.00 35.55 O ATOM 0 H ASP A 39 -9.375 4.361 -5.699 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.401 6.356 -3.949 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.101 5.909 -5.150 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.727 7.239 -4.073 1.00 24.16 H new ATOM 622 N GLN A 40 -10.094 3.851 -2.618 1.00 11.60 N ATOM 623 CA GLN A 40 -10.623 3.369 -1.350 1.00 10.76 C ATOM 624 C GLN A 40 -9.457 2.722 -0.486 1.00 8.01 C ATOM 625 O GLN A 40 -9.618 2.028 0.527 1.00 8.96 O ATOM 626 CB GLN A 40 -11.712 2.291 -1.692 1.00 11.14 C ATOM 627 CG GLN A 40 -12.997 3.027 -2.227 1.00 14.85 C ATOM 628 CD GLN A 40 -13.835 1.992 -2.859 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.350 1.045 -2.270 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.184 2.192 -4.147 1.00 18.16 N ATOM 0 H GLN A 40 -9.964 3.139 -3.337 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.054 4.184 -0.768 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.334 1.596 -2.442 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.954 1.703 -0.806 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.532 3.516 -1.413 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.730 3.803 -2.945 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.778 2.968 -4.671 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.853 1.568 -4.597 1.00 18.16 H new ATOM 639 N GLN A 41 -8.211 2.956 -0.884 1.00 6.52 N ATOM 640 CA GLN A 41 -6.995 2.327 -0.364 1.00 3.87 C ATOM 641 C GLN A 41 -6.244 3.486 0.390 1.00 4.79 C ATOM 642 O GLN A 41 -5.437 4.203 -0.193 1.00 6.34 O ATOM 643 CB GLN A 41 -6.088 1.782 -1.474 1.00 4.20 C ATOM 644 CG GLN A 41 -6.731 0.677 -2.257 1.00 3.20 C ATOM 645 CD GLN A 41 -5.643 0.028 -3.090 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.491 -0.028 -2.702 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.967 -0.394 -4.317 1.00 7.13 N ATOM 0 H GLN A 41 -8.007 3.630 -1.622 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.246 1.474 0.267 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.821 2.594 -2.151 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.160 1.417 -1.033 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.190 -0.051 -1.589 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.523 1.068 -2.896 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.935 -0.344 -4.635 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.246 -0.766 -4.935 1.00 7.13 H new ATOM 656 N ARG A 42 -6.492 3.542 1.720 1.00 5.73 N ATOM 657 CA ARG A 42 -5.771 4.380 2.628 1.00 6.97 C ATOM 658 C ARG A 42 -4.648 3.466 3.076 1.00 7.15 C ATOM 659 O ARG A 42 -4.825 2.276 3.328 1.00 7.33 O ATOM 660 CB ARG A 42 -6.719 4.781 3.728 1.00 13.23 C ATOM 661 CG ARG A 42 -5.937 5.540 4.786 1.00 21.27 C ATOM 662 CD ARG A 42 -6.781 6.220 5.874 1.00 26.14 C ATOM 663 NE ARG A 42 -7.581 7.231 5.133 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.905 8.423 5.590 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.080 8.723 6.893 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.255 9.353 4.682 1.00 36.39 N ATOM 0 H ARG A 42 -7.217 2.985 2.172 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.374 5.315 2.232 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.520 5.404 3.329 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.188 3.899 4.164 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.245 4.848 5.267 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.334 6.301 4.291 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.422 5.503 6.388 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.153 6.687 6.633 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.904 6.982 4.198 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.961 8.000 7.603 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.331 9.672 7.168 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.261 9.119 3.689 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.514 10.291 4.987 1.00 36.39 H new ATOM 680 N LEU A 43 -3.450 3.966 3.034 1.00 4.65 N ATOM 681 CA LEU A 43 -2.281 3.118 3.205 1.00 3.51 C ATOM 682 C LEU A 43 -1.269 3.667 4.222 1.00 5.56 C ATOM 683 O LEU A 43 -0.827 4.774 4.186 1.00 4.19 O ATOM 684 CB LEU A 43 -1.598 2.991 1.878 1.00 3.74 C ATOM 685 CG LEU A 43 -2.319 2.118 0.861 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.409 2.042 -0.376 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.728 0.668 1.235 1.00 6.41 C ATOM 0 H LEU A 43 -3.243 4.954 2.884 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.630 2.159 3.588 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.473 3.988 1.454 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.599 2.585 2.038 1.00 3.74 H new ATOM 0 HG LEU A 43 -3.283 2.611 0.735 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.883 1.424 -1.139 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.247 3.045 -0.771 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.451 1.603 -0.097 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.230 0.201 0.387 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.838 0.093 1.491 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.404 0.690 2.090 1.00 6.41 H new ATOM 699 N ILE A 44 -1.024 2.931 5.237 1.00 4.58 N ATOM 700 CA ILE A 44 -0.439 3.305 6.486 1.00 5.55 C ATOM 701 C ILE A 44 0.823 2.481 6.703 1.00 5.46 C ATOM 702 O ILE A 44 0.842 1.311 6.536 1.00 6.04 O ATOM 703 CB ILE A 44 -1.373 3.196 7.760 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.804 3.809 7.533 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.633 3.883 8.885 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.784 5.293 7.120 1.00 13.90 C ATOM 0 H ILE A 44 -1.251 1.937 5.220 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.231 4.371 6.397 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.568 2.149 7.995 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.318 3.234 6.763 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.384 3.704 8.450 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.232 3.839 9.795 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.320 3.381 9.053 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.453 4.925 8.619 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.806 5.646 6.982 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.299 5.881 7.899 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.232 5.403 6.186 1.00 13.90 H new ATOM 718 N PHE A 45 1.898 3.129 7.153 1.00 6.75 N ATOM 719 CA PHE A 45 3.077 2.428 7.519 1.00 4.70 C ATOM 720 C PHE A 45 3.974 3.465 8.266 1.00 6.34 C ATOM 721 O PHE A 45 4.184 4.601 7.828 1.00 5.45 O ATOM 722 CB PHE A 45 3.848 1.699 6.350 1.00 5.51 C ATOM 723 CG PHE A 45 5.279 1.286 6.783 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.561 0.142 7.536 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.334 2.086 6.343 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.864 -0.237 7.816 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.619 1.794 6.721 1.00 6.64 C ATOM 728 CZ PHE A 45 7.897 0.608 7.471 1.00 6.84 C ATOM 0 H PHE A 45 1.953 4.141 7.264 1.00 6.75 H new ATOM 0 HA PHE A 45 2.795 1.584 8.149 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.291 0.815 6.041 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.905 2.358 5.484 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.745 -0.460 7.908 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.138 2.935 5.705 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.068 -1.182 8.298 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.424 2.462 6.452 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.910 0.376 7.765 1.00 6.84 H new ATOM 738 N ALA A 46 4.623 2.985 9.363 1.00 6.53 N ATOM 739 CA ALA A 46 5.415 3.738 10.283 1.00 7.15 C ATOM 740 C ALA A 46 4.720 4.949 10.967 1.00 9.00 C ATOM 741 O ALA A 46 5.316 6.010 11.122 1.00 11.15 O ATOM 742 CB ALA A 46 6.863 4.067 9.803 1.00 8.99 C ATOM 0 H ALA A 46 4.583 1.997 9.613 1.00 6.53 H new ATOM 0 HA ALA A 46 5.531 3.011 11.087 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.380 4.640 10.572 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.404 3.139 9.617 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.818 4.651 8.884 1.00 8.99 H new ATOM 748 N GLY A 47 3.403 4.821 11.331 1.00 9.35 N ATOM 749 CA GLY A 47 2.627 5.906 11.915 1.00 11.68 C ATOM 750 C GLY A 47 2.127 6.857 10.822 1.00 11.14 C ATOM 751 O GLY A 47 1.143 7.553 11.037 1.00 13.93 O ATOM 0 H GLY A 47 2.875 3.956 11.218 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.780 5.499 12.467 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.239 6.455 12.631 1.00 11.68 H new ATOM 755 N LYS A 48 2.743 6.836 9.596 1.00 10.47 N ATOM 756 CA LYS A 48 2.482 7.816 8.520 1.00 8.82 C ATOM 757 C LYS A 48 1.605 7.300 7.495 1.00 7.68 C ATOM 758 O LYS A 48 1.495 6.108 7.210 1.00 6.47 O ATOM 759 CB LYS A 48 3.828 8.258 7.801 1.00 9.74 C ATOM 760 CG LYS A 48 4.903 8.763 8.796 1.00 14.14 C ATOM 761 CD LYS A 48 5.963 9.450 7.983 1.00 16.32 C ATOM 762 CE LYS A 48 7.290 9.553 8.707 1.00 20.04 C ATOM 763 NZ LYS A 48 8.299 10.194 7.747 1.00 23.92 N ATOM 0 H LYS A 48 3.434 6.131 9.339 1.00 10.47 H new ATOM 0 HA LYS A 48 2.007 8.662 9.016 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.228 7.414 7.239 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.608 9.046 7.081 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.466 9.450 9.520 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.327 7.933 9.360 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.106 8.907 7.049 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.620 10.451 7.720 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.187 10.154 9.610 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.633 8.566 9.019 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.222 10.278 8.219 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.396 9.601 6.898 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.964 11.139 7.472 1.00 23.92 H new ATOM 777 N GLN A 49 0.948 8.164 6.735 1.00 8.89 N ATOM 778 CA GLN A 49 0.278 7.773 5.556 1.00 7.18 C ATOM 779 C GLN A 49 1.223 7.731 4.359 1.00 8.23 C ATOM 780 O GLN A 49 2.136 8.568 4.302 1.00 9.70 O ATOM 781 CB GLN A 49 -0.943 8.747 5.328 1.00 11.67 C ATOM 782 CG GLN A 49 -0.580 10.168 4.900 1.00 15.82 C ATOM 783 CD GLN A 49 -0.098 11.060 6.018 1.00 20.21 C ATOM 784 OE1 GLN A 49 1.063 11.353 6.265 1.00 23.23 O ATOM 785 NE2 GLN A 49 -1.084 11.683 6.679 1.00 20.67 N ATOM 0 H GLN A 49 0.879 9.160 6.943 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.098 6.756 5.666 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.595 8.313 4.570 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.520 8.801 6.251 1.00 11.67 H new ATOM 0 HG2 GLN A 49 0.195 10.116 4.135 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.453 10.628 4.438 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.057 11.448 6.483 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -0.861 12.392 7.378 1.00 20.67 H new ATOM 794 N LEU A 50 1.056 6.730 3.397 1.00 6.51 N ATOM 795 CA LEU A 50 1.937 6.675 2.300 1.00 7.41 C ATOM 796 C LEU A 50 1.286 7.269 1.095 1.00 8.27 C ATOM 797 O LEU A 50 0.231 6.737 0.677 1.00 8.34 O ATOM 798 CB LEU A 50 2.275 5.183 1.968 1.00 7.13 C ATOM 799 CG LEU A 50 2.634 4.249 3.187 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.905 2.833 2.678 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.895 4.803 3.913 1.00 9.11 C ATOM 0 H LEU A 50 0.332 6.012 3.416 1.00 6.51 H new ATOM 0 HA LEU A 50 2.841 7.227 2.557 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.422 4.749 1.447 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.114 5.171 1.272 1.00 7.13 H new ATOM 0 HG LEU A 50 1.800 4.225 3.889 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.153 2.185 3.519 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.016 2.451 2.176 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.739 2.852 1.976 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.143 4.157 4.755 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.733 4.829 3.217 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.693 5.811 4.276 1.00 9.11 H new ATOM 813 N GLU A 51 1.806 8.328 0.515 1.00 9.43 N ATOM 814 CA GLU A 51 1.162 9.260 -0.398 1.00 11.90 C ATOM 815 C GLU A 51 1.502 8.887 -1.809 1.00 11.49 C ATOM 816 O GLU A 51 2.632 8.503 -2.031 1.00 9.88 O ATOM 817 CB GLU A 51 1.546 10.698 -0.013 1.00 16.56 C ATOM 818 CG GLU A 51 1.037 11.036 1.421 1.00 26.06 C ATOM 819 CD GLU A 51 1.190 12.549 1.625 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.704 13.374 0.775 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.763 12.948 2.676 1.00 33.44 O ATOM 0 H GLU A 51 2.778 8.586 0.683 1.00 9.43 H new ATOM 0 HA GLU A 51 0.076 9.206 -0.323 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.629 10.815 -0.058 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.120 11.399 -0.731 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.005 10.738 1.537 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.611 10.489 2.169 1.00 26.06 H new ATOM 828 N ASP A 52 0.551 8.942 -2.703 1.00 12.71 N ATOM 829 CA ASP A 52 0.487 8.205 -3.990 1.00 16.56 C ATOM 830 C ASP A 52 1.684 8.385 -4.931 1.00 15.83 C ATOM 831 O ASP A 52 2.177 7.411 -5.476 1.00 17.21 O ATOM 832 CB ASP A 52 -0.919 8.508 -4.674 1.00 21.05 C ATOM 833 CG ASP A 52 -1.168 9.927 -5.061 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.639 10.691 -4.164 1.00 25.82 O ATOM 835 OD2 ASP A 52 -0.861 10.378 -6.180 1.00 28.37 O ATOM 0 H ASP A 52 -0.267 9.536 -2.566 1.00 12.71 H new ATOM 0 HA ASP A 52 0.565 7.143 -3.757 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.007 7.888 -5.566 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.708 8.195 -3.990 1.00 21.05 H new ATOM 840 N GLY A 53 2.240 9.634 -5.081 1.00 15.00 N ATOM 841 CA GLY A 53 3.388 9.906 -5.929 1.00 11.77 C ATOM 842 C GLY A 53 4.771 9.708 -5.319 1.00 11.10 C ATOM 843 O GLY A 53 5.718 9.938 -6.079 1.00 11.25 O ATOM 0 H GLY A 53 1.882 10.461 -4.604 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.314 9.270 -6.811 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.316 10.938 -6.273 1.00 11.77 H new ATOM 847 N ARG A 54 4.897 9.227 -4.113 1.00 8.53 N ATOM 848 CA ARG A 54 6.188 8.894 -3.462 1.00 9.05 C ATOM 849 C ARG A 54 6.557 7.491 -3.764 1.00 8.96 C ATOM 850 O ARG A 54 5.768 6.721 -4.346 1.00 11.60 O ATOM 851 CB ARG A 54 6.324 9.315 -1.983 1.00 7.97 C ATOM 852 CG ARG A 54 5.586 10.665 -1.756 1.00 9.62 C ATOM 853 CD ARG A 54 6.017 11.464 -0.558 1.00 12.20 C ATOM 854 NE ARG A 54 5.161 12.676 -0.407 1.00 18.23 N ATOM 855 CZ ARG A 54 5.394 13.582 0.595 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.442 13.419 1.375 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.511 14.495 0.932 1.00 23.38 N ATOM 0 H ARG A 54 4.092 9.040 -3.515 1.00 8.53 H new ATOM 0 HA ARG A 54 6.947 9.534 -3.911 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.904 8.546 -1.335 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.377 9.415 -1.718 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.719 11.282 -2.645 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.519 10.461 -1.666 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.951 10.850 0.340 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.061 11.759 -0.666 1.00 12.20 H new ATOM 0 HE ARG A 54 4.392 12.833 -1.058 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.068 12.627 1.230 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.628 14.085 2.125 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.618 14.546 0.442 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.719 15.153 1.683 1.00 23.38 H new ATOM 871 N THR A 55 7.745 6.921 -3.448 1.00 9.05 N ATOM 872 CA THR A 55 8.072 5.478 -3.716 1.00 9.03 C ATOM 873 C THR A 55 8.200 4.724 -2.399 1.00 8.15 C ATOM 874 O THR A 55 8.238 5.290 -1.347 1.00 5.91 O ATOM 875 CB THR A 55 9.365 5.278 -4.503 1.00 11.15 C ATOM 876 OG1 THR A 55 10.405 5.950 -3.801 1.00 11.95 O ATOM 877 CG2 THR A 55 9.280 5.864 -5.910 1.00 11.71 C ATOM 0 H THR A 55 8.506 7.434 -3.003 1.00 9.05 H new ATOM 0 HA THR A 55 7.252 5.094 -4.323 1.00 9.03 H new ATOM 0 HB THR A 55 9.551 4.208 -4.597 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.235 6.915 -3.809 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.223 5.697 -6.431 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.472 5.379 -6.458 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.084 6.934 -5.847 1.00 11.71 H new ATOM 885 N LEU A 56 8.355 3.420 -2.487 1.00 6.91 N ATOM 886 CA LEU A 56 8.634 2.483 -1.368 1.00 8.29 C ATOM 887 C LEU A 56 9.963 2.879 -0.627 1.00 8.05 C ATOM 888 O LEU A 56 9.946 3.056 0.632 1.00 10.17 O ATOM 889 CB LEU A 56 8.734 1.026 -1.907 1.00 6.60 C ATOM 890 CG LEU A 56 7.378 0.523 -2.311 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.499 -0.027 -3.653 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.722 -0.422 -1.328 1.00 8.64 C ATOM 0 H LEU A 56 8.290 2.937 -3.383 1.00 6.91 H new ATOM 0 HA LEU A 56 7.813 2.544 -0.654 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.410 0.993 -2.761 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.156 0.376 -1.141 1.00 6.60 H new ATOM 0 HG LEU A 56 6.683 1.363 -2.307 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.530 -0.403 -3.981 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.836 0.752 -4.337 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.222 -0.843 -3.648 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.748 -0.728 -1.711 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.351 -1.302 -1.194 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.593 0.082 -0.370 1.00 8.64 H new ATOM 904 N SER A 57 10.987 3.226 -1.416 1.00 8.92 N ATOM 905 CA SER A 57 12.240 3.697 -0.891 1.00 9.00 C ATOM 906 C SER A 57 12.154 4.908 -0.012 1.00 9.44 C ATOM 907 O SER A 57 12.819 4.938 0.989 1.00 10.91 O ATOM 908 CB SER A 57 13.294 4.080 -2.029 1.00 10.32 C ATOM 909 OG SER A 57 12.979 5.193 -2.895 1.00 13.59 O ATOM 0 H SER A 57 10.954 3.182 -2.435 1.00 8.92 H new ATOM 0 HA SER A 57 12.562 2.836 -0.304 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.247 4.293 -1.544 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.444 3.201 -2.656 1.00 10.32 H new ATOM 0 HG SER A 57 12.010 5.233 -3.037 1.00 13.59 H new ATOM 915 N ASP A 58 11.325 5.890 -0.340 1.00 9.11 N ATOM 916 CA ASP A 58 11.160 7.125 0.395 1.00 7.91 C ATOM 917 C ASP A 58 10.615 6.926 1.828 1.00 9.12 C ATOM 918 O ASP A 58 10.949 7.652 2.704 1.00 8.61 O ATOM 919 CB ASP A 58 10.141 8.050 -0.367 1.00 8.41 C ATOM 920 CG ASP A 58 10.685 8.497 -1.646 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.719 9.297 -1.609 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.033 8.290 -2.733 1.00 11.70 O ATOM 0 H ASP A 58 10.725 5.840 -1.163 1.00 9.11 H new ATOM 0 HA ASP A 58 12.154 7.567 0.469 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.210 7.509 -0.535 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.900 8.915 0.250 1.00 8.41 H new ATOM 927 N TYR A 59 9.772 5.895 1.980 1.00 7.97 N ATOM 928 CA TYR A 59 9.132 5.504 3.167 1.00 8.45 C ATOM 929 C TYR A 59 9.946 4.468 3.985 1.00 10.98 C ATOM 930 O TYR A 59 9.588 4.092 5.098 1.00 12.95 O ATOM 931 CB TYR A 59 7.718 4.957 2.852 1.00 7.94 C ATOM 932 CG TYR A 59 6.831 6.080 2.441 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.629 7.080 3.455 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.194 6.234 1.225 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.798 8.206 3.161 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.346 7.318 0.943 1.00 6.52 C ATOM 937 CZ TYR A 59 5.192 8.296 1.945 1.00 6.76 C ATOM 938 OH TYR A 59 4.223 9.298 1.720 1.00 7.63 O ATOM 0 H TYR A 59 9.526 5.291 1.196 1.00 7.97 H new ATOM 0 HA TYR A 59 9.051 6.394 3.791 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.773 4.213 2.057 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.306 4.457 3.729 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.098 6.982 4.423 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.355 5.490 0.459 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.652 8.981 3.899 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.833 7.398 -0.004 1.00 6.52 H new ATOM 0 HH TYR A 59 4.426 10.080 2.274 1.00 7.63 H new ATOM 948 N ASN A 60 11.095 4.091 3.369 1.00 12.38 N ATOM 949 CA ASN A 60 12.038 3.144 3.959 1.00 13.94 C ATOM 950 C ASN A 60 11.342 1.775 4.099 1.00 14.16 C ATOM 951 O ASN A 60 11.382 1.191 5.151 1.00 14.26 O ATOM 952 CB ASN A 60 12.596 3.666 5.328 1.00 19.23 C ATOM 953 CG ASN A 60 13.349 4.944 5.120 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.119 5.958 5.745 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.480 4.858 4.334 1.00 24.09 N ATOM 0 H ASN A 60 11.381 4.441 2.454 1.00 12.38 H new ATOM 0 HA ASN A 60 12.903 3.035 3.305 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.775 3.827 6.027 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.251 2.917 5.773 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.123 5.647 4.278 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.672 4.005 3.809 1.00 24.09 H new ATOM 962 N ILE A 61 10.763 1.264 3.029 1.00 11.08 N ATOM 963 CA ILE A 61 10.035 0.034 2.967 1.00 11.78 C ATOM 964 C ILE A 61 10.964 -0.953 2.393 1.00 13.74 C ATOM 965 O ILE A 61 11.418 -0.774 1.231 1.00 14.60 O ATOM 966 CB ILE A 61 8.700 0.234 2.187 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.747 1.067 3.091 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.245 -1.150 1.667 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.500 1.521 2.335 1.00 11.42 C ATOM 0 H ILE A 61 10.798 1.737 2.126 1.00 11.08 H new ATOM 0 HA ILE A 61 9.709 -0.331 3.941 1.00 11.78 H new ATOM 0 HB ILE A 61 8.762 0.830 1.276 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.452 0.471 3.954 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.278 1.939 3.473 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.311 -1.042 1.116 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.010 -1.561 1.008 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.093 -1.824 2.510 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.861 2.100 3.002 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.794 2.139 1.487 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.954 0.648 1.976 1.00 11.42 H new ATOM 981 N GLN A 62 11.363 -1.952 3.204 1.00 13.97 N ATOM 982 CA GLN A 62 12.468 -2.813 2.837 1.00 15.52 C ATOM 983 C GLN A 62 11.987 -4.239 2.581 1.00 13.94 C ATOM 984 O GLN A 62 10.773 -4.475 2.339 1.00 12.15 O ATOM 985 CB GLN A 62 13.570 -2.739 3.923 1.00 19.53 C ATOM 986 CG GLN A 62 13.886 -1.320 4.408 1.00 26.38 C ATOM 987 CD GLN A 62 15.079 -1.437 5.383 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.930 -2.018 6.436 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.282 -0.916 5.122 1.00 32.71 N ATOM 0 H GLN A 62 10.933 -2.169 4.103 1.00 13.97 H new ATOM 0 HA GLN A 62 12.904 -2.466 1.901 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.262 -3.342 4.777 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.482 -3.187 3.529 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.135 -0.671 3.568 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.022 -0.880 4.906 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.444 -0.420 4.245 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.038 -1.014 5.799 1.00 32.71 H new ATOM 998 N LYS A 63 12.922 -5.168 2.683 1.00 11.73 N ATOM 999 CA LYS A 63 12.647 -6.530 2.253 1.00 11.97 C ATOM 1000 C LYS A 63 11.704 -7.305 3.132 1.00 10.41 C ATOM 1001 O LYS A 63 11.986 -7.583 4.292 1.00 9.59 O ATOM 1002 CB LYS A 63 13.949 -7.376 2.272 1.00 13.73 C ATOM 1003 CG LYS A 63 13.931 -8.594 1.320 1.00 16.98 C ATOM 1004 CD LYS A 63 15.287 -9.203 1.057 1.00 20.19 C ATOM 1005 CE LYS A 63 15.863 -9.977 2.239 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.011 -11.082 2.679 1.00 25.97 N ATOM 0 H LYS A 63 13.860 -5.011 3.052 1.00 11.73 H new ATOM 0 HA LYS A 63 12.204 -6.393 1.266 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.789 -6.734 2.006 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.125 -7.727 3.289 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.279 -9.359 1.741 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.493 -8.290 0.369 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.213 -9.872 0.200 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.982 -8.410 0.782 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.842 -10.370 1.965 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.017 -9.292 3.073 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.551 -11.706 3.313 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.186 -10.703 3.186 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.690 -11.624 1.851 1.00 25.97 H new ATOM 1020 N GLU A 64 10.483 -7.597 2.580 1.00 10.04 N ATOM 1021 CA GLU A 64 9.443 -8.375 3.257 1.00 10.94 C ATOM 1022 C GLU A 64 8.826 -7.530 4.391 1.00 9.74 C ATOM 1023 O GLU A 64 8.154 -8.055 5.284 1.00 9.42 O ATOM 1024 CB GLU A 64 9.805 -9.851 3.638 1.00 18.31 C ATOM 1025 CG GLU A 64 10.515 -10.744 2.607 1.00 24.16 C ATOM 1026 CD GLU A 64 10.944 -12.068 3.107 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.493 -12.570 4.170 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.727 -12.702 2.371 1.00 31.72 O ATOM 0 H GLU A 64 10.212 -7.288 1.647 1.00 10.04 H new ATOM 0 HA GLU A 64 8.667 -8.571 2.517 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.434 -9.814 4.527 1.00 18.31 H new ATOM 0 HB3 GLU A 64 8.880 -10.352 3.922 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.847 -10.893 1.759 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.391 -10.214 2.233 1.00 24.16 H new ATOM 1035 N SER A 65 8.948 -6.170 4.290 1.00 6.85 N ATOM 1036 CA SER A 65 8.262 -5.182 5.127 1.00 6.90 C ATOM 1037 C SER A 65 6.785 -5.349 5.206 1.00 4.72 C ATOM 1038 O SER A 65 6.115 -5.878 4.337 1.00 3.91 O ATOM 1039 CB SER A 65 8.826 -3.716 4.954 1.00 7.28 C ATOM 1040 OG SER A 65 8.321 -2.801 5.922 1.00 10.56 O ATOM 0 H SER A 65 9.553 -5.736 3.593 1.00 6.85 H new ATOM 0 HA SER A 65 8.536 -5.414 6.156 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.914 -3.742 5.021 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.577 -3.354 3.957 1.00 7.28 H new ATOM 0 HG SER A 65 8.706 -1.913 5.765 1.00 10.56 H new ATOM 1046 N THR A 66 6.144 -4.953 6.361 1.00 4.48 N ATOM 1047 CA THR A 66 4.680 -5.217 6.579 1.00 3.80 C ATOM 1048 C THR A 66 3.955 -3.855 6.565 1.00 4.60 C ATOM 1049 O THR A 66 4.172 -3.014 7.421 1.00 5.33 O ATOM 1050 CB THR A 66 4.449 -5.855 7.998 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.156 -7.058 8.029 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.980 -6.170 8.188 1.00 3.40 C ATOM 0 H THR A 66 6.604 -4.466 7.130 1.00 4.48 H new ATOM 0 HA THR A 66 4.311 -5.891 5.806 1.00 3.80 H new ATOM 0 HB THR A 66 4.776 -5.168 8.778 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.036 -7.485 8.903 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.827 -6.612 9.173 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.398 -5.252 8.107 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.657 -6.873 7.421 1.00 3.40 H new ATOM 1060 N LEU A 67 3.132 -3.624 5.545 1.00 4.17 N ATOM 1061 CA LEU A 67 2.390 -2.426 5.355 1.00 3.85 C ATOM 1062 C LEU A 67 0.925 -2.585 5.788 1.00 3.80 C ATOM 1063 O LEU A 67 0.379 -3.695 5.740 1.00 5.54 O ATOM 1064 CB LEU A 67 2.505 -1.953 3.903 1.00 7.18 C ATOM 1065 CG LEU A 67 3.930 -2.038 3.360 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.011 -1.494 1.918 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.874 -1.200 4.211 1.00 11.66 C ATOM 0 H LEU A 67 2.972 -4.310 4.808 1.00 4.17 H new ATOM 0 HA LEU A 67 2.820 -1.658 5.997 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.847 -2.555 3.277 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.156 -0.923 3.833 1.00 7.18 H new ATOM 0 HG LEU A 67 4.216 -3.090 3.382 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.037 -1.567 1.559 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.357 -2.079 1.271 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.696 -0.451 1.904 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.885 -1.272 3.811 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.550 -0.159 4.196 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.863 -1.568 5.237 1.00 11.66 H new ATOM 1079 N HIS A 68 0.251 -1.498 6.121 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.206 -1.650 6.441 1.00 4.17 C ATOM 1081 C HIS A 68 -2.082 -0.829 5.480 1.00 5.32 C ATOM 1082 O HIS A 68 -1.842 0.219 4.984 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.499 -1.065 7.832 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.490 -2.087 8.913 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.446 -2.839 9.274 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.574 -2.563 9.653 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.920 -3.720 10.210 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -2.163 -3.595 10.484 1.00 16.30 N ATOM 0 H HIS A 68 0.630 -0.553 6.182 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.428 -2.715 6.371 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.758 -0.299 8.060 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.472 -0.573 7.814 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.583 -2.184 9.588 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.293 -4.463 10.680 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -2.719 -4.127 11.153 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.257 -1.460 5.252 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.291 -1.035 4.333 1.00 3.97 C ATOM 1098 C LEU A 69 -5.629 -0.943 5.071 1.00 5.07 C ATOM 1099 O LEU A 69 -5.929 -1.901 5.811 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.337 -2.063 3.132 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.636 -2.211 2.235 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.050 -0.874 1.497 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.403 -3.272 1.113 1.00 9.96 C ATOM 0 H LEU A 69 -3.504 -2.322 5.739 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.079 -0.044 3.932 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.514 -1.810 2.463 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.121 -3.048 3.546 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.426 -2.501 2.927 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.946 -1.049 0.902 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.251 -0.098 2.236 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.238 -0.552 0.844 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.303 -3.363 0.505 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.570 -2.959 0.483 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.173 -4.236 1.566 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.253 0.238 4.972 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.595 0.583 5.414 1.00 6.26 C ATOM 1117 C VAL A 70 -8.507 0.870 4.232 1.00 9.22 C ATOM 1118 O VAL A 70 -8.137 1.606 3.301 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.549 1.788 6.401 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.947 2.046 6.978 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.627 1.370 7.541 1.00 8.54 C ATOM 0 H VAL A 70 -5.786 1.038 4.544 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.011 -0.274 5.944 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.204 2.691 5.897 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.906 2.890 7.667 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.639 2.273 6.167 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.290 1.159 7.511 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.556 2.180 8.267 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.029 0.481 8.027 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.636 1.150 7.145 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.736 0.319 4.265 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.841 0.677 3.330 1.00 16.06 C ATOM 1133 C LEU A 71 -11.430 2.049 3.674 1.00 18.09 C ATOM 1134 O LEU A 71 -12.134 2.186 4.660 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.941 -0.424 3.346 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.419 -1.755 2.820 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.555 -2.853 2.884 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.850 -1.753 1.342 1.00 19.57 C ATOM 0 H LEU A 71 -10.000 -0.394 4.944 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.431 0.738 2.322 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.309 -0.555 4.364 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.787 -0.101 2.740 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.577 -1.972 3.477 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.168 -3.799 2.505 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.879 -2.981 3.917 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.401 -2.537 2.274 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.509 -2.755 1.082 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.635 -1.446 0.651 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.014 -1.057 1.275 1.00 19.57 H new