USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 62 GLN : amide:sc= 0.655 K(o=1.8,f=-3.3!) USER MOD Set 1.2: A 65 SER OG : rot 115:sc= 1.18 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 0 X(o=0,f=-0.00031) USER MOD Set 3.1: A 7 THR OG1 : rot 123:sc= 0.561 USER MOD Set 3.2: A 9 THR OG1 : rot -93:sc= 0.0721 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.0532 (180deg=-0.187) USER MOD Single : A 1 MET N :NH3+ 161:sc= 2.2 (180deg=2.13) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 138:sc= 0.927 (180deg=0.127) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.759 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0.717 (180deg=0.238) USER MOD Single : A 29 LYS NZ :NH3+ -127:sc= 2.42 (180deg=0.304) USER MOD Single : A 31 GLN : amide:sc= -0.741 K(o=-0.74,f=-3.6!) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.193) USER MOD Single : A 40 GLN : amide:sc= -0.376 K(o=-0.38,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.065 K(o=0.065,f=-4.9!) 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 55 THR OG1 : rot -71:sc= 1.11 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.231 USER MOD Single : A 60 ASN : amide:sc=-0.00831 X(o=-0.0083,f=-0.0024) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0645 X(o=0.064,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.727 -7.071 -5.311 1.00 9.67 N ATOM 2 CA MET A 1 10.922 -7.553 -3.918 1.00 10.38 C ATOM 3 C MET A 1 9.599 -7.680 -3.230 1.00 9.62 C ATOM 4 O MET A 1 8.550 -7.214 -3.739 1.00 9.62 O ATOM 5 CB MET A 1 11.800 -6.550 -3.160 1.00 13.77 C ATOM 6 CG MET A 1 11.223 -5.155 -2.827 1.00 16.29 C ATOM 7 SD MET A 1 12.090 -4.111 -1.681 1.00 17.17 S ATOM 8 CE MET A 1 10.643 -3.075 -1.477 1.00 16.11 C ATOM 0 H1 MET A 1 11.621 -6.682 -5.672 1.00 9.67 H new ATOM 0 H2 MET A 1 10.425 -7.863 -5.913 1.00 9.67 H new ATOM 0 H3 MET A 1 9.998 -6.330 -5.323 1.00 9.67 H new ATOM 0 HA MET A 1 11.406 -8.530 -3.937 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.098 -7.016 -2.221 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.708 -6.400 -3.743 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.129 -4.606 -3.764 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.214 -5.301 -2.440 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.913 -2.178 -0.920 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.257 -2.792 -2.456 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.876 -3.624 -0.930 1.00 16.11 H new ATOM 20 N GLN A 2 9.473 -8.424 -2.147 1.00 9.27 N ATOM 21 CA GLN A 2 8.195 -8.696 -1.470 1.00 9.07 C ATOM 22 C GLN A 2 7.869 -7.629 -0.517 1.00 8.72 C ATOM 23 O GLN A 2 8.715 -7.014 0.168 1.00 8.22 O ATOM 24 CB GLN A 2 8.227 -10.025 -0.658 1.00 14.46 C ATOM 25 CG GLN A 2 8.538 -11.320 -1.462 1.00 17.01 C ATOM 26 CD GLN A 2 8.449 -12.582 -0.575 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.354 -12.902 -0.067 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.646 -13.253 -0.411 1.00 19.49 N ATOM 0 H GLN A 2 10.269 -8.872 -1.694 1.00 9.27 H new ATOM 0 HA GLN A 2 7.451 -8.762 -2.263 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.973 -9.925 0.131 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.261 -10.150 -0.169 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.837 -11.409 -2.292 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.536 -11.249 -1.894 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.490 -12.910 -0.870 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.686 -14.091 0.169 1.00 19.49 H new ATOM 37 N ILE A 3 6.554 -7.428 -0.300 1.00 5.87 N ATOM 38 CA ILE A 3 6.062 -6.707 0.808 1.00 5.07 C ATOM 39 C ILE A 3 4.739 -7.292 1.295 1.00 4.01 C ATOM 40 O ILE A 3 4.008 -7.662 0.389 1.00 4.61 O ATOM 41 CB ILE A 3 5.957 -5.174 0.703 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.067 -4.599 -0.471 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.382 -4.432 0.871 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.886 -3.089 -0.603 1.00 10.83 C ATOM 0 H ILE A 3 5.824 -7.781 -0.919 1.00 5.87 H new ATOM 0 HA ILE A 3 6.861 -6.845 1.537 1.00 5.07 H new ATOM 0 HB ILE A 3 5.363 -4.910 1.578 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.488 -4.961 -1.409 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.075 -5.040 -0.376 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.243 -3.354 0.787 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.803 -4.669 1.848 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.063 -4.772 0.091 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.248 -2.873 -1.460 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.423 -2.698 0.303 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.858 -2.617 -0.746 1.00 10.83 H new ATOM 56 N PHE A 4 4.408 -7.346 2.606 1.00 4.55 N ATOM 57 CA PHE A 4 3.145 -7.785 3.165 1.00 4.68 C ATOM 58 C PHE A 4 2.158 -6.732 3.555 1.00 5.30 C ATOM 59 O PHE A 4 2.332 -6.053 4.562 1.00 5.58 O ATOM 60 CB PHE A 4 3.375 -8.715 4.430 1.00 4.83 C ATOM 61 CG PHE A 4 4.310 -9.861 4.056 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.879 -10.903 3.217 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.635 -9.866 4.573 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.697 -12.007 2.966 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.445 -10.927 4.243 1.00 10.61 C ATOM 66 CZ PHE A 4 6.009 -11.997 3.401 1.00 8.90 C ATOM 0 H PHE A 4 5.068 -7.063 3.331 1.00 4.55 H new ATOM 0 HA PHE A 4 2.699 -8.313 2.322 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.802 -8.135 5.248 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.422 -9.109 4.783 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.902 -10.849 2.760 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.992 -9.065 5.203 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.307 -12.863 2.435 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.451 -10.953 4.636 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.691 -12.782 3.111 1.00 8.90 H new ATOM 76 N VAL A 5 1.011 -6.596 2.815 1.00 4.44 N ATOM 77 CA VAL A 5 -0.062 -5.594 3.126 1.00 3.87 C ATOM 78 C VAL A 5 -1.179 -6.211 3.968 1.00 4.93 C ATOM 79 O VAL A 5 -1.928 -7.050 3.534 1.00 6.84 O ATOM 80 CB VAL A 5 -0.542 -4.773 2.026 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.622 -3.742 2.465 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.704 -4.133 1.342 1.00 9.13 C ATOM 0 H VAL A 5 0.807 -7.170 1.997 1.00 4.44 H new ATOM 0 HA VAL A 5 0.448 -4.847 3.735 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.070 -5.390 1.299 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.941 -3.159 1.601 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.479 -4.269 2.884 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.203 -3.075 3.218 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.381 -3.508 0.509 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.243 -3.522 2.066 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.360 -4.920 0.971 1.00 9.13 H new ATOM 92 N LYS A 6 -1.266 -5.819 5.253 1.00 6.04 N ATOM 93 CA LYS A 6 -2.220 -6.394 6.216 1.00 6.12 C ATOM 94 C LYS A 6 -3.380 -5.499 6.480 1.00 6.57 C ATOM 95 O LYS A 6 -3.209 -4.324 6.814 1.00 5.76 O ATOM 96 CB LYS A 6 -1.508 -6.787 7.525 1.00 7.45 C ATOM 97 CG LYS A 6 -2.364 -7.575 8.521 1.00 11.12 C ATOM 98 CD LYS A 6 -1.544 -7.905 9.822 1.00 14.54 C ATOM 99 CE LYS A 6 -2.189 -8.956 10.745 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.395 -9.084 11.978 1.00 20.55 N ATOM 0 H LYS A 6 -0.673 -5.091 5.653 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.625 -7.297 5.759 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.628 -7.381 7.277 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.153 -5.880 8.014 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.251 -6.998 8.781 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.709 -8.500 8.059 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.554 -8.257 9.531 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.401 -6.984 10.388 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.211 -8.664 10.987 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.245 -9.918 10.235 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.832 -9.794 12.600 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.428 -9.382 11.739 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.364 -8.167 12.468 1.00 20.55 H new ATOM 114 N THR A 7 -4.617 -6.081 6.474 1.00 7.41 N ATOM 115 CA THR A 7 -5.875 -5.365 6.880 1.00 7.48 C ATOM 116 C THR A 7 -6.144 -5.350 8.367 1.00 8.75 C ATOM 117 O THR A 7 -5.666 -6.241 9.089 1.00 8.58 O ATOM 118 CB THR A 7 -7.144 -5.792 6.125 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.588 -7.105 6.555 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.833 -5.797 4.613 1.00 9.17 C ATOM 0 H THR A 7 -4.773 -7.049 6.192 1.00 7.41 H new ATOM 0 HA THR A 7 -5.646 -4.344 6.574 1.00 7.48 H new ATOM 0 HB THR A 7 -7.949 -5.089 6.339 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.509 -7.047 6.886 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.723 -6.098 4.060 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.532 -4.797 4.300 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.025 -6.499 4.410 1.00 9.17 H new ATOM 128 N LEU A 8 -6.935 -4.342 8.813 1.00 9.84 N ATOM 129 CA LEU A 8 -7.456 -4.238 10.177 1.00 14.15 C ATOM 130 C LEU A 8 -8.259 -5.441 10.600 1.00 17.37 C ATOM 131 O LEU A 8 -8.188 -5.950 11.752 1.00 17.01 O ATOM 132 CB LEU A 8 -8.378 -3.025 10.376 1.00 16.63 C ATOM 133 CG LEU A 8 -7.756 -1.720 10.041 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.939 -0.718 10.035 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.741 -1.249 11.021 1.00 18.59 C ATOM 0 H LEU A 8 -7.227 -3.570 8.214 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.554 -4.145 10.782 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.269 -3.157 9.762 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.707 -3.001 11.415 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.220 -1.810 9.096 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.570 0.279 9.795 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.671 -1.024 9.287 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.409 -0.704 11.018 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.340 -0.289 10.696 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.206 -1.135 12.000 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.932 -1.977 11.086 1.00 18.59 H new ATOM 147 N THR A 9 -9.041 -6.034 9.645 1.00 18.33 N ATOM 148 CA THR A 9 -9.835 -7.189 9.913 1.00 19.24 C ATOM 149 C THR A 9 -9.228 -8.563 9.714 1.00 19.48 C ATOM 150 O THR A 9 -9.859 -9.500 10.254 1.00 23.14 O ATOM 151 CB THR A 9 -11.085 -7.179 9.050 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.679 -6.878 7.712 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.073 -6.095 9.551 1.00 19.70 C ATOM 0 H THR A 9 -9.111 -5.696 8.685 1.00 18.33 H new ATOM 0 HA THR A 9 -9.997 -7.079 10.985 1.00 19.24 H new ATOM 0 HB THR A 9 -11.587 -8.145 9.097 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.743 -5.912 7.560 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.965 -6.098 8.924 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.354 -6.307 10.583 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.596 -5.116 9.499 1.00 19.70 H new ATOM 161 N GLY A 10 -7.991 -8.675 9.103 1.00 19.43 N ATOM 162 CA GLY A 10 -7.095 -9.774 9.309 1.00 18.74 C ATOM 163 C GLY A 10 -6.471 -10.392 8.113 1.00 17.62 C ATOM 164 O GLY A 10 -5.707 -11.307 8.267 1.00 19.74 O ATOM 0 H GLY A 10 -7.629 -7.974 8.457 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.295 -9.435 9.967 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.638 -10.553 9.844 1.00 18.74 H new ATOM 168 N LYS A 11 -6.735 -9.982 6.858 1.00 13.56 N ATOM 169 CA LYS A 11 -6.115 -10.640 5.650 1.00 11.91 C ATOM 170 C LYS A 11 -4.847 -9.982 5.243 1.00 10.18 C ATOM 171 O LYS A 11 -4.742 -8.784 5.051 1.00 9.10 O ATOM 172 CB LYS A 11 -7.164 -10.557 4.491 1.00 13.43 C ATOM 173 CG LYS A 11 -6.827 -11.570 3.375 1.00 16.69 C ATOM 174 CD LYS A 11 -7.880 -11.696 2.277 1.00 17.92 C ATOM 175 CE LYS A 11 -7.351 -12.127 0.873 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.343 -12.078 -0.164 1.00 21.93 N ATOM 0 H LYS A 11 -7.363 -9.209 6.636 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.863 -11.674 5.887 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.162 -10.758 4.882 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.180 -9.548 4.080 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.880 -11.282 2.918 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.677 -12.550 3.828 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.629 -12.419 2.600 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.387 -10.736 2.174 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.518 -11.481 0.596 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.959 -13.142 0.939 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.924 -11.676 -1.027 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.686 -13.040 -0.362 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.138 -11.483 0.144 1.00 21.93 H new ATOM 190 N THR A 12 -3.838 -10.796 4.937 1.00 9.63 N ATOM 191 CA THR A 12 -2.493 -10.358 4.543 1.00 9.85 C ATOM 192 C THR A 12 -2.147 -10.770 3.178 1.00 11.66 C ATOM 193 O THR A 12 -2.201 -11.974 2.908 1.00 12.33 O ATOM 194 CB THR A 12 -1.364 -10.856 5.469 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.678 -10.745 6.889 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.068 -10.027 5.235 1.00 9.63 C ATOM 0 H THR A 12 -3.934 -11.811 4.956 1.00 9.63 H new ATOM 0 HA THR A 12 -2.555 -9.272 4.617 1.00 9.85 H new ATOM 0 HB THR A 12 -1.235 -11.909 5.217 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.923 -11.078 7.418 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.720 -10.390 5.895 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.250 -10.134 4.198 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.265 -8.976 5.448 1.00 9.63 H new ATOM 204 N ILE A 13 -1.791 -9.823 2.259 1.00 10.42 N ATOM 205 CA ILE A 13 -1.387 -10.060 0.911 1.00 11.84 C ATOM 206 C ILE A 13 0.093 -9.804 0.615 1.00 10.55 C ATOM 207 O ILE A 13 0.687 -8.797 1.074 1.00 11.92 O ATOM 208 CB ILE A 13 -2.348 -9.465 -0.155 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.443 -7.944 0.060 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.704 -10.189 -0.059 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.453 -7.273 -0.838 1.00 16.46 C ATOM 0 H ILE A 13 -1.791 -8.830 2.491 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.485 -11.141 0.813 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.979 -9.619 -1.169 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.705 -7.747 1.100 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.463 -7.499 -0.111 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.388 -9.780 -0.803 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.562 -11.254 -0.243 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.123 -10.046 0.937 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.468 -6.203 -0.633 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.180 -7.439 -1.880 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.442 -7.692 -0.650 1.00 16.46 H new ATOM 223 N THR A 14 0.692 -10.687 -0.199 1.00 9.39 N ATOM 224 CA THR A 14 2.152 -10.726 -0.534 1.00 9.63 C ATOM 225 C THR A 14 2.366 -10.154 -1.880 1.00 11.20 C ATOM 226 O THR A 14 2.149 -10.872 -2.889 1.00 11.63 O ATOM 227 CB THR A 14 2.717 -12.138 -0.474 1.00 10.38 C ATOM 228 OG1 THR A 14 2.462 -12.771 0.782 1.00 16.30 O ATOM 229 CG2 THR A 14 4.221 -12.231 -0.788 1.00 11.66 C ATOM 0 H THR A 14 0.167 -11.426 -0.666 1.00 9.39 H new ATOM 0 HA THR A 14 2.680 -10.133 0.212 1.00 9.63 H new ATOM 0 HB THR A 14 2.185 -12.666 -1.265 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.971 -12.318 1.486 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.543 -13.270 -0.723 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.406 -11.856 -1.794 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.781 -11.633 -0.069 1.00 11.66 H new ATOM 237 N LEU A 15 2.775 -8.922 -1.955 1.00 8.29 N ATOM 238 CA LEU A 15 2.915 -8.292 -3.234 1.00 9.03 C ATOM 239 C LEU A 15 4.333 -8.446 -3.828 1.00 8.59 C ATOM 240 O LEU A 15 5.266 -8.848 -3.191 1.00 7.79 O ATOM 241 CB LEU A 15 2.661 -6.797 -3.069 1.00 11.08 C ATOM 242 CG LEU A 15 1.361 -6.328 -2.302 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.275 -4.843 -2.033 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.061 -6.756 -2.977 1.00 15.27 C ATOM 0 H LEU A 15 3.015 -8.338 -1.154 1.00 8.29 H new ATOM 0 HA LEU A 15 2.203 -8.772 -3.906 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.521 -6.371 -2.553 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.635 -6.354 -4.065 1.00 11.08 H new ATOM 0 HG LEU A 15 1.471 -6.844 -1.348 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.348 -4.622 -1.503 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.124 -4.534 -1.423 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.291 -4.300 -2.978 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.787 -6.398 -2.393 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.015 -6.332 -3.980 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.025 -7.844 -3.040 1.00 15.27 H new ATOM 256 N GLU A 16 4.533 -8.089 -5.134 1.00 11.04 N ATOM 257 CA GLU A 16 5.868 -8.052 -5.768 1.00 11.50 C ATOM 258 C GLU A 16 5.995 -6.639 -6.241 1.00 10.13 C ATOM 259 O GLU A 16 5.191 -6.146 -6.984 1.00 9.83 O ATOM 260 CB GLU A 16 6.085 -8.999 -7.006 1.00 17.22 C ATOM 261 CG GLU A 16 7.509 -8.901 -7.659 1.00 23.33 C ATOM 262 CD GLU A 16 8.565 -9.424 -6.682 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.365 -10.352 -5.853 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.737 -8.910 -6.736 1.00 28.86 O ATOM 0 H GLU A 16 3.774 -7.823 -5.762 1.00 11.04 H new ATOM 0 HA GLU A 16 6.603 -8.396 -5.040 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.912 -10.029 -6.694 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.336 -8.765 -7.762 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.536 -9.480 -8.582 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.727 -7.867 -7.925 1.00 23.33 H new ATOM 271 N VAL A 17 6.940 -5.891 -5.739 1.00 8.99 N ATOM 272 CA VAL A 17 7.043 -4.488 -5.960 1.00 8.85 C ATOM 273 C VAL A 17 8.470 -4.097 -6.212 1.00 8.04 C ATOM 274 O VAL A 17 9.428 -4.755 -5.807 1.00 8.99 O ATOM 275 CB VAL A 17 6.588 -3.658 -4.793 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.067 -3.996 -4.525 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.371 -3.813 -3.473 1.00 10.54 C ATOM 0 H VAL A 17 7.682 -6.262 -5.145 1.00 8.99 H new ATOM 0 HA VAL A 17 6.397 -4.295 -6.817 1.00 8.85 H new ATOM 0 HB VAL A 17 6.769 -2.625 -5.089 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.707 -3.408 -3.681 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.479 -3.757 -5.411 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.965 -5.057 -4.297 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.939 -3.159 -2.715 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.313 -4.848 -3.135 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.414 -3.542 -3.635 1.00 10.54 H new ATOM 287 N GLU A 18 8.700 -2.966 -6.897 1.00 7.29 N ATOM 288 CA GLU A 18 10.018 -2.415 -7.107 1.00 7.08 C ATOM 289 C GLU A 18 10.229 -1.294 -6.045 1.00 6.45 C ATOM 290 O GLU A 18 9.200 -0.700 -5.621 1.00 5.28 O ATOM 291 CB GLU A 18 10.167 -1.774 -8.531 1.00 10.28 C ATOM 292 CG GLU A 18 11.429 -1.009 -8.926 1.00 12.65 C ATOM 293 CD GLU A 18 11.350 -0.581 -10.354 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.206 -1.427 -11.289 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.337 0.626 -10.613 1.00 18.17 O ATOM 0 H GLU A 18 7.955 -2.412 -7.320 1.00 7.29 H new ATOM 0 HA GLU A 18 10.751 -3.217 -7.020 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.042 -2.578 -9.257 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.327 -1.092 -8.663 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.549 -0.136 -8.284 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.306 -1.639 -8.776 1.00 12.65 H new ATOM 302 N PRO A 19 11.490 -1.005 -5.524 1.00 7.24 N ATOM 303 CA PRO A 19 11.696 -0.013 -4.493 1.00 7.07 C ATOM 304 C PRO A 19 11.274 1.434 -4.978 1.00 6.65 C ATOM 305 O PRO A 19 10.838 2.186 -4.149 1.00 6.37 O ATOM 306 CB PRO A 19 13.212 -0.153 -4.296 1.00 7.61 C ATOM 307 CG PRO A 19 13.551 -1.624 -4.487 1.00 8.16 C ATOM 308 CD PRO A 19 12.511 -2.091 -5.566 1.00 7.49 C ATOM 0 HA PRO A 19 11.107 -0.152 -3.586 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.753 0.464 -5.014 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.505 0.184 -3.302 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.577 -1.760 -4.830 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.448 -2.185 -3.558 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.964 -2.183 -6.553 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.081 -3.062 -5.321 1.00 7.49 H new ATOM 316 N SER A 20 11.301 1.684 -6.322 1.00 6.80 N ATOM 317 CA SER A 20 11.005 2.931 -7.045 1.00 6.28 C ATOM 318 C SER A 20 9.589 2.925 -7.581 1.00 8.45 C ATOM 319 O SER A 20 9.156 3.787 -8.331 1.00 7.26 O ATOM 320 CB SER A 20 11.920 3.224 -8.266 1.00 8.57 C ATOM 321 OG SER A 20 13.284 3.335 -7.921 1.00 11.13 O ATOM 0 H SER A 20 11.555 0.941 -6.973 1.00 6.80 H new ATOM 0 HA SER A 20 11.174 3.701 -6.292 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.801 2.428 -9.001 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.595 4.149 -8.742 1.00 8.57 H new ATOM 0 HG SER A 20 13.811 3.517 -8.727 1.00 11.13 H new ATOM 327 N ASP A 21 8.766 1.929 -7.241 1.00 7.50 N ATOM 328 CA ASP A 21 7.386 2.031 -7.508 1.00 7.70 C ATOM 329 C ASP A 21 6.737 3.091 -6.592 1.00 7.08 C ATOM 330 O ASP A 21 6.905 3.147 -5.370 1.00 8.11 O ATOM 331 CB ASP A 21 6.708 0.683 -7.158 1.00 11.00 C ATOM 332 CG ASP A 21 6.715 -0.383 -8.277 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.138 -0.155 -9.422 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.389 -1.509 -7.896 1.00 14.36 O ATOM 0 H ASP A 21 9.057 1.064 -6.786 1.00 7.50 H new ATOM 0 HA ASP A 21 7.260 2.297 -8.557 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.203 0.266 -6.281 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.674 0.880 -6.876 1.00 11.00 H new ATOM 339 N THR A 22 5.928 4.036 -7.232 1.00 5.37 N ATOM 340 CA THR A 22 5.157 4.957 -6.488 1.00 6.01 C ATOM 341 C THR A 22 4.073 4.271 -5.775 1.00 8.01 C ATOM 342 O THR A 22 3.558 3.245 -6.246 1.00 8.11 O ATOM 343 CB THR A 22 4.714 6.217 -7.249 1.00 8.92 C ATOM 344 OG1 THR A 22 3.890 5.829 -8.334 1.00 10.22 O ATOM 345 CG2 THR A 22 5.910 6.960 -7.886 1.00 9.65 C ATOM 0 H THR A 22 5.839 4.125 -8.244 1.00 5.37 H new ATOM 0 HA THR A 22 5.829 5.376 -5.739 1.00 6.01 H new ATOM 0 HB THR A 22 4.208 6.862 -6.530 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.600 6.626 -8.826 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.550 7.844 -8.413 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.608 7.262 -7.105 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.416 6.299 -8.589 1.00 9.65 H new ATOM 353 N ILE A 23 3.567 4.792 -4.605 1.00 8.32 N ATOM 354 CA ILE A 23 2.511 4.198 -3.783 1.00 9.92 C ATOM 355 C ILE A 23 1.219 3.894 -4.536 1.00 10.01 C ATOM 356 O ILE A 23 0.549 2.864 -4.421 1.00 8.71 O ATOM 357 CB ILE A 23 2.225 4.966 -2.507 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.529 5.245 -1.697 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.253 4.130 -1.590 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.412 3.963 -1.459 1.00 12.30 C ATOM 0 H ILE A 23 3.913 5.669 -4.216 1.00 8.32 H new ATOM 0 HA ILE A 23 2.935 3.236 -3.495 1.00 9.92 H new ATOM 0 HB ILE A 23 1.774 5.916 -2.794 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.122 5.991 -2.226 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.262 5.676 -0.732 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.050 4.685 -0.674 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.318 3.950 -2.120 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.718 3.176 -1.341 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.301 4.234 -0.890 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.837 3.223 -0.903 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.710 3.543 -2.420 1.00 12.30 H new ATOM 372 N GLU A 24 0.735 4.734 -5.449 1.00 9.54 N ATOM 373 CA GLU A 24 -0.354 4.495 -6.330 1.00 11.81 C ATOM 374 C GLU A 24 -0.165 3.218 -7.250 1.00 11.14 C ATOM 375 O GLU A 24 -1.098 2.532 -7.640 1.00 10.62 O ATOM 376 CB GLU A 24 -0.648 5.738 -7.266 1.00 19.24 C ATOM 377 CG GLU A 24 -1.891 5.579 -8.105 1.00 27.76 C ATOM 378 CD GLU A 24 -1.954 6.764 -9.099 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.323 7.911 -8.654 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.685 6.519 -10.326 1.00 36.51 O ATOM 0 H GLU A 24 1.139 5.661 -5.584 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.199 4.317 -5.664 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.747 6.631 -6.650 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.207 5.898 -7.924 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.869 4.631 -8.643 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.778 5.565 -7.472 1.00 27.76 H new ATOM 387 N ASN A 25 1.113 2.959 -7.576 1.00 9.43 N ATOM 388 CA ASN A 25 1.501 1.740 -8.417 1.00 10.96 C ATOM 389 C ASN A 25 1.762 0.563 -7.525 1.00 9.68 C ATOM 390 O ASN A 25 2.107 -0.493 -7.934 1.00 9.33 O ATOM 391 CB ASN A 25 2.793 2.032 -9.215 1.00 16.78 C ATOM 392 CG ASN A 25 2.607 2.947 -10.429 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.296 4.131 -10.229 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.754 2.446 -11.624 1.00 24.70 N ATOM 0 H ASN A 25 1.901 3.542 -7.294 1.00 9.43 H new ATOM 0 HA ASN A 25 0.679 1.522 -9.099 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.522 2.486 -8.544 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.216 1.086 -9.553 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.612 3.035 -12.445 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.011 1.465 -11.738 1.00 24.70 H new ATOM 401 N VAL A 26 1.566 0.718 -6.218 1.00 6.52 N ATOM 402 CA VAL A 26 1.545 -0.413 -5.261 1.00 5.53 C ATOM 403 C VAL A 26 0.094 -0.843 -5.045 1.00 4.42 C ATOM 404 O VAL A 26 -0.299 -2.003 -4.818 1.00 3.40 O ATOM 405 CB VAL A 26 2.166 -0.107 -3.947 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.336 -1.325 -3.033 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.551 0.569 -4.150 1.00 8.12 C ATOM 0 H VAL A 26 1.416 1.627 -5.781 1.00 6.52 H new ATOM 0 HA VAL A 26 2.144 -1.210 -5.701 1.00 5.53 H new ATOM 0 HB VAL A 26 1.470 0.568 -3.448 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.796 -1.015 -2.095 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.360 -1.766 -2.830 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.973 -2.062 -3.523 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.995 0.788 -3.179 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.206 -0.103 -4.705 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.425 1.497 -4.708 1.00 8.12 H new ATOM 417 N LYS A 27 -0.787 0.178 -5.081 1.00 2.64 N ATOM 418 CA LYS A 27 -2.211 -0.027 -5.077 1.00 4.14 C ATOM 419 C LYS A 27 -2.718 -0.873 -6.237 1.00 5.58 C ATOM 420 O LYS A 27 -3.688 -1.591 -6.110 1.00 4.11 O ATOM 421 CB LYS A 27 -2.977 1.318 -5.015 1.00 3.97 C ATOM 422 CG LYS A 27 -2.570 2.032 -3.712 1.00 7.45 C ATOM 423 CD LYS A 27 -3.240 3.428 -3.547 1.00 9.02 C ATOM 424 CE LYS A 27 -2.849 4.108 -2.290 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.708 5.278 -2.006 1.00 15.47 N ATOM 0 H LYS A 27 -0.510 1.159 -5.113 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.414 -0.597 -4.170 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.736 1.935 -5.880 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.053 1.146 -5.036 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.837 1.404 -2.862 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.487 2.151 -3.693 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.970 4.058 -4.395 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.323 3.311 -3.569 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.911 3.403 -1.461 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.810 4.429 -2.359 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.157 5.997 -1.495 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.055 5.679 -2.901 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.517 4.982 -1.423 1.00 15.47 H new ATOM 439 N ALA A 28 -2.125 -0.737 -7.433 1.00 6.61 N ATOM 440 CA ALA A 28 -2.475 -1.477 -8.671 1.00 7.74 C ATOM 441 C ALA A 28 -2.286 -2.991 -8.545 1.00 9.17 C ATOM 442 O ALA A 28 -2.935 -3.795 -9.225 1.00 11.45 O ATOM 443 CB ALA A 28 -1.450 -1.091 -9.743 1.00 7.68 C ATOM 0 H ALA A 28 -1.356 -0.083 -7.578 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.515 -1.236 -8.890 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.677 -1.618 -10.670 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.493 -0.016 -9.917 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.450 -1.364 -9.406 1.00 7.68 H new ATOM 449 N LYS A 29 -1.314 -3.490 -7.703 1.00 8.96 N ATOM 450 CA LYS A 29 -1.083 -4.940 -7.422 1.00 7.90 C ATOM 451 C LYS A 29 -2.141 -5.398 -6.501 1.00 6.92 C ATOM 452 O LYS A 29 -2.711 -6.458 -6.541 1.00 6.87 O ATOM 453 CB LYS A 29 0.272 -5.277 -6.741 1.00 10.28 C ATOM 454 CG LYS A 29 1.486 -5.092 -7.638 1.00 14.94 C ATOM 455 CD LYS A 29 2.175 -3.728 -7.579 1.00 19.69 C ATOM 456 CE LYS A 29 3.340 -3.611 -8.602 1.00 22.63 C ATOM 457 NZ LYS A 29 3.908 -2.277 -8.622 1.00 24.98 N ATOM 0 H LYS A 29 -0.667 -2.883 -7.200 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.084 -5.432 -8.395 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.388 -4.648 -5.858 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.244 -6.310 -6.395 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.220 -5.856 -7.382 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.181 -5.276 -8.668 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.443 -2.945 -7.774 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.560 -3.561 -6.573 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.117 -4.333 -8.352 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.976 -3.866 -9.597 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.918 -1.919 -9.598 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.334 -1.646 -8.027 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.881 -2.308 -8.255 1.00 24.98 H new ATOM 471 N ILE A 30 -2.505 -4.558 -5.480 1.00 4.57 N ATOM 472 CA ILE A 30 -3.624 -4.748 -4.568 1.00 5.58 C ATOM 473 C ILE A 30 -4.903 -4.810 -5.311 1.00 7.26 C ATOM 474 O ILE A 30 -5.778 -5.644 -5.030 1.00 9.46 O ATOM 475 CB ILE A 30 -3.636 -3.805 -3.341 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.376 -3.892 -2.614 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.902 -4.126 -2.507 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.312 -2.896 -1.371 1.00 2.00 C ATOM 0 H ILE A 30 -1.988 -3.701 -5.283 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.480 -5.722 -4.100 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.702 -2.757 -3.633 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.234 -4.914 -2.263 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.553 -3.671 -3.294 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.937 -3.475 -1.633 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.791 -3.963 -3.117 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.870 -5.166 -2.183 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.351 -3.004 -0.867 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.425 -1.870 -1.721 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.116 -3.132 -0.674 1.00 2.00 H new ATOM 490 N GLN A 31 -5.128 -3.986 -6.307 1.00 7.06 N ATOM 491 CA GLN A 31 -6.289 -4.001 -7.162 1.00 8.67 C ATOM 492 C GLN A 31 -6.407 -5.284 -7.996 1.00 10.90 C ATOM 493 O GLN A 31 -7.505 -5.869 -8.200 1.00 9.63 O ATOM 494 CB GLN A 31 -6.335 -2.770 -8.048 1.00 9.12 C ATOM 495 CG GLN A 31 -7.680 -2.508 -8.853 1.00 10.76 C ATOM 496 CD GLN A 31 -7.663 -1.323 -9.807 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.340 -0.348 -9.636 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.794 -1.453 -10.820 1.00 14.76 N ATOM 0 H GLN A 31 -4.470 -3.248 -6.555 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.154 -3.983 -6.499 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.138 -1.897 -7.425 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.519 -2.840 -8.767 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.920 -3.405 -9.423 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.487 -2.361 -8.136 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.245 -2.307 -10.914 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.682 -0.698 -11.496 1.00 14.76 H new ATOM 507 N ASP A 32 -5.249 -5.703 -8.478 1.00 10.93 N ATOM 508 CA ASP A 32 -5.080 -6.987 -9.214 1.00 14.01 C ATOM 509 C ASP A 32 -5.524 -8.184 -8.377 1.00 14.04 C ATOM 510 O ASP A 32 -6.257 -9.039 -8.738 1.00 13.39 O ATOM 511 CB ASP A 32 -3.601 -7.139 -9.677 1.00 18.01 C ATOM 512 CG ASP A 32 -3.432 -8.192 -10.699 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.434 -8.749 -11.261 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.257 -8.439 -11.014 1.00 25.17 O ATOM 0 H ASP A 32 -4.383 -5.174 -8.380 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.724 -6.964 -10.093 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.250 -6.188 -10.078 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.976 -7.371 -8.815 1.00 18.01 H new ATOM 519 N LYS A 33 -5.063 -8.169 -7.096 1.00 14.22 N ATOM 520 CA LYS A 33 -5.265 -9.289 -6.180 1.00 14.00 C ATOM 521 C LYS A 33 -6.657 -9.262 -5.565 1.00 12.37 C ATOM 522 O LYS A 33 -7.227 -10.330 -5.411 1.00 12.17 O ATOM 523 CB LYS A 33 -4.203 -9.210 -5.075 1.00 18.62 C ATOM 524 CG LYS A 33 -2.866 -9.684 -5.616 1.00 24.00 C ATOM 525 CD LYS A 33 -1.659 -9.823 -4.667 1.00 27.61 C ATOM 526 CE LYS A 33 -0.265 -9.755 -5.356 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.302 -10.763 -6.476 1.00 30.06 N ATOM 0 H LYS A 33 -4.551 -7.386 -6.690 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.171 -10.222 -6.735 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.117 -8.186 -4.712 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.501 -9.825 -4.226 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.029 -10.658 -6.078 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.576 -8.998 -6.412 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.715 -9.035 -3.916 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.740 -10.773 -4.139 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.068 -8.754 -5.739 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.531 -9.988 -4.649 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.667 -10.960 -6.798 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.740 -11.643 -6.137 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.858 -10.382 -7.268 1.00 30.06 H new ATOM 541 N GLU A 34 -7.202 -8.084 -5.147 1.00 10.11 N ATOM 542 CA GLU A 34 -8.381 -8.090 -4.322 1.00 10.07 C ATOM 543 C GLU A 34 -9.558 -7.299 -4.985 1.00 9.32 C ATOM 544 O GLU A 34 -10.638 -7.167 -4.422 1.00 11.61 O ATOM 545 CB GLU A 34 -8.168 -7.347 -2.981 1.00 14.77 C ATOM 546 CG GLU A 34 -7.070 -7.929 -2.012 1.00 18.75 C ATOM 547 CD GLU A 34 -7.591 -9.209 -1.423 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.470 -10.259 -2.096 1.00 25.19 O ATOM 549 OE2 GLU A 34 -8.084 -9.232 -0.311 1.00 21.95 O ATOM 0 H GLU A 34 -6.836 -7.160 -5.375 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.600 -9.149 -4.182 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.910 -6.312 -3.204 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.118 -7.331 -2.447 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.142 -8.111 -2.555 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.842 -7.213 -1.223 1.00 18.75 H new ATOM 556 N GLY A 35 -9.390 -6.683 -6.174 1.00 7.22 N ATOM 557 CA GLY A 35 -10.453 -5.842 -6.833 1.00 6.29 C ATOM 558 C GLY A 35 -10.785 -4.431 -6.228 1.00 6.93 C ATOM 559 O GLY A 35 -11.766 -3.809 -6.622 1.00 7.41 O ATOM 0 H GLY A 35 -8.527 -6.744 -6.714 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.160 -5.695 -7.872 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.375 -6.423 -6.841 1.00 6.29 H new ATOM 563 N ILE A 36 -9.946 -3.976 -5.318 1.00 5.86 N ATOM 564 CA ILE A 36 -10.200 -2.699 -4.579 1.00 6.07 C ATOM 565 C ILE A 36 -9.397 -1.610 -5.308 1.00 6.36 C ATOM 566 O ILE A 36 -8.196 -1.781 -5.452 1.00 6.18 O ATOM 567 CB ILE A 36 -9.692 -2.817 -3.185 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.500 -3.958 -2.487 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.812 -1.445 -2.347 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.659 -4.483 -1.350 1.00 9.49 C ATOM 0 H ILE A 36 -9.081 -4.449 -5.055 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.265 -2.468 -4.547 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.627 -3.046 -3.219 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.453 -3.581 -2.116 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.727 -4.755 -3.195 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.425 -1.599 -1.340 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.235 -0.664 -2.842 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.858 -1.143 -2.291 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.195 -5.283 -0.840 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.718 -4.869 -1.742 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.455 -3.677 -0.646 1.00 9.49 H new ATOM 582 N PRO A 37 -10.005 -0.421 -5.739 1.00 8.65 N ATOM 583 CA PRO A 37 -9.316 0.476 -6.672 1.00 9.18 C ATOM 584 C PRO A 37 -8.479 1.393 -5.801 1.00 9.85 C ATOM 585 O PRO A 37 -8.876 1.658 -4.677 1.00 8.51 O ATOM 586 CB PRO A 37 -10.481 1.153 -7.395 1.00 11.42 C ATOM 587 CG PRO A 37 -11.626 1.165 -6.411 1.00 9.27 C ATOM 588 CD PRO A 37 -11.458 -0.234 -5.825 1.00 8.33 C ATOM 0 HA PRO A 37 -8.638 0.042 -7.407 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.217 2.166 -7.699 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.749 0.608 -8.300 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -11.527 1.950 -5.661 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.593 1.305 -6.893 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.928 -0.313 -4.845 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -11.919 -0.989 -6.461 1.00 8.33 H new ATOM 596 N PRO A 38 -7.274 1.842 -6.157 1.00 8.71 N ATOM 597 CA PRO A 38 -6.587 2.911 -5.494 1.00 9.08 C ATOM 598 C PRO A 38 -7.280 3.965 -4.668 1.00 9.28 C ATOM 599 O PRO A 38 -6.761 4.226 -3.581 1.00 6.50 O ATOM 600 CB PRO A 38 -5.698 3.555 -6.548 1.00 10.31 C ATOM 601 CG PRO A 38 -5.411 2.440 -7.517 1.00 10.81 C ATOM 602 CD PRO A 38 -6.677 1.599 -7.491 1.00 12.00 C ATOM 0 HA PRO A 38 -6.102 2.397 -4.664 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.200 4.389 -7.038 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.781 3.948 -6.110 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.206 2.822 -8.517 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.540 1.860 -7.212 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.361 1.891 -8.288 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.452 0.542 -7.636 1.00 12.00 H new ATOM 610 N ASP A 39 -8.418 4.575 -5.128 1.00 11.20 N ATOM 611 CA ASP A 39 -9.290 5.509 -4.417 1.00 14.96 C ATOM 612 C ASP A 39 -9.927 4.917 -3.175 1.00 13.99 C ATOM 613 O ASP A 39 -10.365 5.591 -2.267 1.00 13.75 O ATOM 614 CB ASP A 39 -10.374 5.999 -5.367 1.00 24.16 C ATOM 615 CG ASP A 39 -9.882 7.018 -6.345 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.831 6.812 -7.018 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.517 8.066 -6.500 1.00 35.55 O ATOM 0 H ASP A 39 -8.755 4.400 -6.075 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.665 6.335 -4.077 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.782 5.148 -5.913 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.191 6.427 -4.786 1.00 24.16 H new ATOM 622 N GLN A 40 -10.021 3.595 -3.013 1.00 11.60 N ATOM 623 CA GLN A 40 -10.572 2.967 -1.789 1.00 10.76 C ATOM 624 C GLN A 40 -9.448 2.497 -0.826 1.00 8.01 C ATOM 625 O GLN A 40 -9.727 1.941 0.241 1.00 8.96 O ATOM 626 CB GLN A 40 -11.420 1.708 -2.144 1.00 11.14 C ATOM 627 CG GLN A 40 -12.841 2.093 -2.627 1.00 14.85 C ATOM 628 CD GLN A 40 -13.676 0.841 -2.815 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.975 0.421 -3.910 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.993 0.190 -1.708 1.00 18.16 N ATOM 0 H GLN A 40 -9.721 2.923 -3.719 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.185 3.729 -1.308 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.914 1.135 -2.921 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.495 1.061 -1.270 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.316 2.752 -1.900 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.779 2.644 -3.565 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.727 0.569 -0.799 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.503 -0.691 -1.763 1.00 18.16 H new ATOM 639 N GLN A 41 -8.209 2.719 -1.116 1.00 6.52 N ATOM 640 CA GLN A 41 -7.116 2.184 -0.329 1.00 3.87 C ATOM 641 C GLN A 41 -6.364 3.324 0.292 1.00 4.79 C ATOM 642 O GLN A 41 -5.969 4.313 -0.338 1.00 6.34 O ATOM 643 CB GLN A 41 -6.027 1.410 -1.125 1.00 4.20 C ATOM 644 CG GLN A 41 -6.554 0.282 -2.005 1.00 3.20 C ATOM 645 CD GLN A 41 -5.495 -0.261 -2.978 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.343 -0.315 -2.612 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.910 -0.718 -4.136 1.00 7.13 N ATOM 0 H GLN A 41 -7.910 3.282 -1.912 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.601 1.499 0.366 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.485 2.117 -1.752 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.308 0.994 -0.419 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.909 -0.531 -1.372 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.412 0.641 -2.573 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.895 -0.644 -4.390 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.247 -1.147 -4.782 1.00 7.13 H new ATOM 656 N ARG A 42 -6.160 3.259 1.599 1.00 5.73 N ATOM 657 CA ARG A 42 -5.164 4.103 2.284 1.00 6.97 C ATOM 658 C ARG A 42 -4.082 3.260 2.877 1.00 7.15 C ATOM 659 O ARG A 42 -4.446 2.260 3.529 1.00 7.33 O ATOM 660 CB ARG A 42 -5.850 4.866 3.525 1.00 13.23 C ATOM 661 CG ARG A 42 -6.733 5.991 3.012 1.00 21.27 C ATOM 662 CD ARG A 42 -6.738 7.059 4.056 1.00 26.14 C ATOM 663 NE ARG A 42 -7.613 8.205 3.532 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.899 8.424 3.826 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.643 7.508 4.372 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.469 9.573 3.476 1.00 36.39 N ATOM 0 H ARG A 42 -6.669 2.629 2.219 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.767 4.799 1.545 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.443 4.165 4.112 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.082 5.267 4.187 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.352 6.378 2.067 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.745 5.631 2.825 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.131 6.675 4.997 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.725 7.408 4.253 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.169 8.867 2.895 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.249 6.592 4.588 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.621 7.705 4.585 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.926 10.283 2.985 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.450 9.744 3.698 1.00 36.39 H new ATOM 680 N LEU A 43 -2.855 3.624 2.633 1.00 4.65 N ATOM 681 CA LEU A 43 -1.758 2.782 3.075 1.00 3.51 C ATOM 682 C LEU A 43 -0.906 3.486 4.172 1.00 5.56 C ATOM 683 O LEU A 43 -0.430 4.626 3.960 1.00 4.19 O ATOM 684 CB LEU A 43 -0.947 2.217 1.839 1.00 3.74 C ATOM 685 CG LEU A 43 -1.723 1.361 0.855 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.868 0.946 -0.367 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.495 0.148 1.342 1.00 6.41 C ATOM 0 H LEU A 43 -2.583 4.476 2.143 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.156 1.898 3.574 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.521 3.061 1.296 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.112 1.628 2.219 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.508 2.073 0.601 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.469 0.335 -1.041 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.527 1.838 -0.893 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.005 0.372 -0.029 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.984 -0.336 0.496 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.809 -0.554 1.815 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.248 0.462 2.065 1.00 6.41 H new ATOM 699 N ILE A 44 -0.788 2.763 5.319 1.00 4.58 N ATOM 700 CA ILE A 44 -0.159 3.258 6.537 1.00 5.55 C ATOM 701 C ILE A 44 1.106 2.524 6.833 1.00 5.46 C ATOM 702 O ILE A 44 1.099 1.275 6.943 1.00 6.04 O ATOM 703 CB ILE A 44 -1.033 3.468 7.759 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.212 4.382 7.518 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.143 3.966 8.949 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.307 3.776 6.613 1.00 13.90 C ATOM 0 H ILE A 44 -1.138 1.809 5.406 1.00 4.58 H new ATOM 0 HA ILE A 44 0.080 4.292 6.286 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.479 2.506 8.011 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.655 4.646 8.478 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.854 5.307 7.067 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.766 4.119 9.830 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.621 3.220 9.169 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.336 4.906 8.676 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.117 4.495 6.490 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.882 3.538 5.638 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.696 2.867 7.071 1.00 13.90 H new ATOM 718 N PHE A 45 2.259 3.165 6.940 1.00 6.75 N ATOM 719 CA PHE A 45 3.456 2.511 7.410 1.00 4.70 C ATOM 720 C PHE A 45 4.250 3.439 8.310 1.00 6.34 C ATOM 721 O PHE A 45 4.315 4.643 8.028 1.00 5.45 O ATOM 722 CB PHE A 45 4.359 2.168 6.262 1.00 5.51 C ATOM 723 CG PHE A 45 5.702 1.519 6.578 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.793 0.133 6.664 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.911 2.279 6.690 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.937 -0.510 7.110 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.096 1.666 7.061 1.00 6.64 C ATOM 728 CZ PHE A 45 8.090 0.272 7.206 1.00 6.84 C ATOM 0 H PHE A 45 2.385 4.149 6.703 1.00 6.75 H new ATOM 0 HA PHE A 45 3.139 1.615 7.943 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.813 1.500 5.596 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.554 3.084 5.705 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.941 -0.463 6.373 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.898 3.339 6.483 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.937 -1.558 7.369 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.993 2.242 7.233 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.029 -0.225 7.403 1.00 6.84 H new ATOM 738 N ALA A 46 4.757 2.938 9.492 1.00 6.53 N ATOM 739 CA ALA A 46 5.359 3.762 10.567 1.00 7.15 C ATOM 740 C ALA A 46 4.456 4.845 11.076 1.00 9.00 C ATOM 741 O ALA A 46 4.857 5.952 11.301 1.00 11.15 O ATOM 742 CB ALA A 46 6.802 4.290 10.194 1.00 8.99 C ATOM 0 H ALA A 46 4.751 1.942 9.710 1.00 6.53 H new ATOM 0 HA ALA A 46 5.489 3.083 11.410 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.195 4.887 11.017 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.464 3.443 10.012 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.744 4.904 9.295 1.00 8.99 H new ATOM 748 N GLY A 47 3.148 4.558 11.211 1.00 9.35 N ATOM 749 CA GLY A 47 2.158 5.522 11.768 1.00 11.68 C ATOM 750 C GLY A 47 1.775 6.722 10.944 1.00 11.14 C ATOM 751 O GLY A 47 1.087 7.674 11.349 1.00 13.93 O ATOM 0 H GLY A 47 2.742 3.662 10.942 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.246 4.968 11.989 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.549 5.885 12.719 1.00 11.68 H new ATOM 755 N LYS A 48 2.135 6.698 9.612 1.00 10.47 N ATOM 756 CA LYS A 48 1.873 7.754 8.653 1.00 8.82 C ATOM 757 C LYS A 48 1.177 7.207 7.474 1.00 7.68 C ATOM 758 O LYS A 48 1.528 6.104 7.101 1.00 6.47 O ATOM 759 CB LYS A 48 3.233 8.489 8.218 1.00 9.74 C ATOM 760 CG LYS A 48 4.009 9.040 9.335 1.00 14.14 C ATOM 761 CD LYS A 48 5.366 9.585 8.853 1.00 16.32 C ATOM 762 CE LYS A 48 6.360 9.887 10.011 1.00 20.04 C ATOM 763 NZ LYS A 48 7.788 9.970 9.611 1.00 23.92 N ATOM 0 H LYS A 48 2.628 5.906 9.199 1.00 10.47 H new ATOM 0 HA LYS A 48 1.230 8.496 9.127 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.857 7.780 7.673 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.990 9.296 7.527 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.443 9.838 9.816 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.170 8.267 10.086 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.819 8.862 8.175 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.200 10.497 8.280 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.074 10.830 10.478 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.256 9.111 10.770 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.372 10.174 10.447 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.085 9.065 9.194 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.909 10.730 8.911 1.00 23.92 H new ATOM 777 N GLN A 49 0.244 7.933 6.814 1.00 8.89 N ATOM 778 CA GLN A 49 -0.175 7.521 5.514 1.00 7.18 C ATOM 779 C GLN A 49 0.799 7.949 4.479 1.00 8.23 C ATOM 780 O GLN A 49 1.339 9.019 4.659 1.00 9.70 O ATOM 781 CB GLN A 49 -1.646 7.932 5.080 1.00 11.67 C ATOM 782 CG GLN A 49 -1.957 9.440 5.063 1.00 15.82 C ATOM 783 CD GLN A 49 -3.400 9.789 4.589 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.355 9.615 5.348 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.542 10.526 3.452 1.00 20.67 N ATOM 0 H GLN A 49 -0.203 8.777 7.172 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.206 6.434 5.591 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.832 7.533 4.083 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.350 7.445 5.755 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.809 9.842 6.065 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.241 9.940 4.410 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.745 10.664 2.831 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.445 10.940 3.222 1.00 20.67 H new ATOM 794 N LEU A 50 1.137 7.105 3.451 1.00 6.51 N ATOM 795 CA LEU A 50 2.104 7.328 2.395 1.00 7.41 C ATOM 796 C LEU A 50 1.502 7.991 1.225 1.00 8.27 C ATOM 797 O LEU A 50 0.444 7.631 0.780 1.00 8.34 O ATOM 798 CB LEU A 50 2.812 6.012 1.934 1.00 7.13 C ATOM 799 CG LEU A 50 3.068 5.037 3.111 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.784 3.776 2.604 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.849 5.452 4.288 1.00 9.11 C ATOM 0 H LEU A 50 0.691 6.192 3.360 1.00 6.51 H new ATOM 0 HA LEU A 50 2.856 7.986 2.830 1.00 7.41 H new ATOM 0 HB2 LEU A 50 2.198 5.516 1.182 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.761 6.260 1.458 1.00 7.13 H new ATOM 0 HG LEU A 50 2.044 4.926 3.468 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.960 3.097 3.438 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.163 3.281 1.857 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.738 4.054 2.156 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.911 4.624 4.994 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.853 5.738 3.976 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.362 6.302 4.767 1.00 9.11 H new ATOM 813 N GLU A 51 2.145 9.046 0.711 1.00 9.43 N ATOM 814 CA GLU A 51 1.690 9.875 -0.431 1.00 11.90 C ATOM 815 C GLU A 51 1.729 9.114 -1.739 1.00 11.49 C ATOM 816 O GLU A 51 2.672 8.401 -2.070 1.00 9.88 O ATOM 817 CB GLU A 51 2.552 11.203 -0.519 1.00 16.56 C ATOM 818 CG GLU A 51 2.099 12.255 0.492 1.00 26.06 C ATOM 819 CD GLU A 51 2.907 13.504 0.476 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.861 14.217 -0.540 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.537 13.812 1.496 1.00 33.44 O ATOM 0 H GLU A 51 3.036 9.366 1.090 1.00 9.43 H new ATOM 0 HA GLU A 51 0.648 10.142 -0.253 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.602 10.965 -0.347 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.480 11.615 -1.526 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.057 12.507 0.295 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.139 11.823 1.492 1.00 26.06 H new ATOM 828 N ASP A 52 0.700 9.310 -2.621 1.00 12.71 N ATOM 829 CA ASP A 52 0.494 8.612 -3.907 1.00 16.56 C ATOM 830 C ASP A 52 1.705 8.819 -4.898 1.00 15.83 C ATOM 831 O ASP A 52 1.979 7.939 -5.671 1.00 17.21 O ATOM 832 CB ASP A 52 -0.844 9.082 -4.490 1.00 21.05 C ATOM 833 CG ASP A 52 -2.045 9.043 -3.610 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.092 9.496 -2.426 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.076 8.545 -4.165 1.00 28.37 O ATOM 0 H ASP A 52 -0.035 9.992 -2.435 1.00 12.71 H new ATOM 0 HA ASP A 52 0.454 7.535 -3.744 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.716 10.108 -4.834 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.056 8.475 -5.370 1.00 21.05 H new ATOM 840 N GLY A 53 2.283 10.026 -4.961 1.00 15.00 N ATOM 841 CA GLY A 53 3.340 10.285 -5.928 1.00 11.77 C ATOM 842 C GLY A 53 4.680 9.864 -5.508 1.00 11.10 C ATOM 843 O GLY A 53 5.644 9.848 -6.279 1.00 11.25 O ATOM 0 H GLY A 53 2.039 10.817 -4.366 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.092 9.778 -6.860 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.362 11.353 -6.143 1.00 11.77 H new ATOM 847 N ARG A 54 4.835 9.540 -4.265 1.00 8.53 N ATOM 848 CA ARG A 54 6.100 9.131 -3.691 1.00 9.05 C ATOM 849 C ARG A 54 6.367 7.612 -3.923 1.00 8.96 C ATOM 850 O ARG A 54 5.494 6.797 -4.138 1.00 11.60 O ATOM 851 CB ARG A 54 6.199 9.509 -2.225 1.00 7.97 C ATOM 852 CG ARG A 54 6.305 11.031 -2.021 1.00 9.62 C ATOM 853 CD ARG A 54 7.790 11.543 -2.241 1.00 12.20 C ATOM 854 NE ARG A 54 7.663 13.070 -2.362 1.00 18.23 N ATOM 855 CZ ARG A 54 8.606 13.836 -2.875 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.662 13.329 -3.589 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.348 15.121 -3.005 1.00 23.38 N ATOM 0 H ARG A 54 4.069 9.549 -3.591 1.00 8.53 H new ATOM 0 HA ARG A 54 6.887 9.677 -4.211 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.324 9.134 -1.695 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.070 9.024 -1.785 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.637 11.540 -2.715 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.975 11.288 -1.014 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.433 11.264 -1.406 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.229 11.110 -3.140 1.00 12.20 H new ATOM 0 HE ARG A 54 6.807 13.513 -2.029 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.739 12.323 -3.740 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.370 13.958 -3.969 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.444 15.492 -2.713 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.052 15.745 -3.398 1.00 23.38 H new ATOM 871 N THR A 55 7.647 7.247 -3.890 1.00 9.05 N ATOM 872 CA THR A 55 8.009 5.785 -3.930 1.00 9.03 C ATOM 873 C THR A 55 8.046 5.111 -2.567 1.00 8.15 C ATOM 874 O THR A 55 8.059 5.672 -1.449 1.00 5.91 O ATOM 875 CB THR A 55 9.289 5.512 -4.742 1.00 11.15 C ATOM 876 OG1 THR A 55 10.406 6.025 -4.093 1.00 11.95 O ATOM 877 CG2 THR A 55 9.130 6.145 -6.141 1.00 11.71 C ATOM 0 H THR A 55 8.437 7.891 -3.838 1.00 9.05 H new ATOM 0 HA THR A 55 7.182 5.314 -4.462 1.00 9.03 H new ATOM 0 HB THR A 55 9.436 4.436 -4.841 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.391 7.004 -4.140 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.029 5.960 -6.728 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.270 5.703 -6.645 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.978 7.220 -6.039 1.00 11.71 H new ATOM 885 N LEU A 56 8.134 3.760 -2.530 1.00 6.91 N ATOM 886 CA LEU A 56 8.333 2.929 -1.380 1.00 8.29 C ATOM 887 C LEU A 56 9.701 3.230 -0.732 1.00 8.05 C ATOM 888 O LEU A 56 9.816 3.483 0.482 1.00 10.17 O ATOM 889 CB LEU A 56 8.285 1.414 -1.920 1.00 6.60 C ATOM 890 CG LEU A 56 6.884 0.823 -2.152 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.040 -0.559 -2.856 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.013 0.574 -0.924 1.00 8.64 C ATOM 0 H LEU A 56 8.058 3.207 -3.384 1.00 6.91 H new ATOM 0 HA LEU A 56 7.573 3.105 -0.619 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.837 1.367 -2.859 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.812 0.779 -1.208 1.00 6.60 H new ATOM 0 HG LEU A 56 6.376 1.592 -2.734 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.055 -0.993 -3.028 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.550 -0.426 -3.810 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.624 -1.226 -2.222 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.055 0.157 -1.236 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.515 -0.128 -0.258 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.846 1.515 -0.400 1.00 8.64 H new ATOM 904 N SER A 57 10.794 3.274 -1.528 1.00 8.92 N ATOM 905 CA SER A 57 12.103 3.705 -1.094 1.00 9.00 C ATOM 906 C SER A 57 12.239 5.020 -0.470 1.00 9.44 C ATOM 907 O SER A 57 12.958 5.205 0.535 1.00 10.91 O ATOM 908 CB SER A 57 13.192 3.469 -2.188 1.00 10.32 C ATOM 909 OG SER A 57 14.493 3.574 -1.629 1.00 13.59 O ATOM 0 H SER A 57 10.768 3.000 -2.510 1.00 8.92 H new ATOM 0 HA SER A 57 12.274 3.041 -0.247 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.060 2.483 -2.633 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.075 4.199 -2.989 1.00 10.32 H new ATOM 0 HG SER A 57 15.163 3.422 -2.328 1.00 13.59 H new ATOM 915 N ASP A 58 11.458 6.031 -0.868 1.00 9.11 N ATOM 916 CA ASP A 58 11.343 7.392 -0.281 1.00 7.91 C ATOM 917 C ASP A 58 11.012 7.294 1.234 1.00 9.12 C ATOM 918 O ASP A 58 11.488 8.083 1.998 1.00 8.61 O ATOM 919 CB ASP A 58 10.404 8.284 -1.032 1.00 8.41 C ATOM 920 CG ASP A 58 10.864 8.652 -2.377 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.992 9.137 -2.493 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.071 8.579 -3.354 1.00 11.70 O ATOM 0 H ASP A 58 10.838 5.921 -1.670 1.00 9.11 H new ATOM 0 HA ASP A 58 12.313 7.879 -0.381 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.438 7.787 -1.115 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.246 9.194 -0.453 1.00 8.41 H new ATOM 927 N TYR A 59 10.222 6.243 1.640 1.00 7.97 N ATOM 928 CA TYR A 59 9.748 6.074 2.979 1.00 8.45 C ATOM 929 C TYR A 59 10.581 4.973 3.636 1.00 10.98 C ATOM 930 O TYR A 59 10.286 4.558 4.741 1.00 12.95 O ATOM 931 CB TYR A 59 8.340 5.586 2.902 1.00 7.94 C ATOM 932 CG TYR A 59 7.355 6.675 2.538 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.945 7.634 3.493 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.968 6.828 1.260 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.178 8.709 3.167 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.158 7.890 0.842 1.00 6.52 C ATOM 937 CZ TYR A 59 5.758 8.796 1.796 1.00 6.76 C ATOM 938 OH TYR A 59 5.019 9.880 1.343 1.00 7.63 O ATOM 0 H TYR A 59 9.917 5.504 1.007 1.00 7.97 H new ATOM 0 HA TYR A 59 9.816 7.007 3.539 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.278 4.787 2.164 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.058 5.155 3.863 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.253 7.508 4.521 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.294 6.104 0.528 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.901 9.455 3.897 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.859 7.994 -0.190 1.00 6.52 H new ATOM 0 HH TYR A 59 5.627 10.581 1.026 1.00 7.63 H new ATOM 948 N ASN A 60 11.580 4.455 2.890 1.00 12.38 N ATOM 949 CA ASN A 60 12.567 3.469 3.390 1.00 13.94 C ATOM 950 C ASN A 60 11.956 2.129 3.668 1.00 14.16 C ATOM 951 O ASN A 60 12.239 1.437 4.628 1.00 14.26 O ATOM 952 CB ASN A 60 13.422 3.964 4.636 1.00 19.23 C ATOM 953 CG ASN A 60 14.183 5.280 4.284 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.973 6.251 5.043 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.001 5.316 3.205 1.00 24.09 N ATOM 0 H ASN A 60 11.727 4.711 1.914 1.00 12.38 H new ATOM 0 HA ASN A 60 13.269 3.361 2.563 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.767 4.132 5.491 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.134 3.191 4.927 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.494 6.177 2.967 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.124 4.482 2.630 1.00 24.09 H new ATOM 962 N ILE A 61 11.054 1.685 2.822 1.00 11.08 N ATOM 963 CA ILE A 61 10.316 0.472 2.934 1.00 11.78 C ATOM 964 C ILE A 61 11.165 -0.573 2.195 1.00 13.74 C ATOM 965 O ILE A 61 11.258 -0.563 0.954 1.00 14.60 O ATOM 966 CB ILE A 61 8.886 0.589 2.306 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.035 1.506 3.264 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.246 -0.806 2.210 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.740 1.997 2.612 1.00 11.42 C ATOM 0 H ILE A 61 10.808 2.208 1.982 1.00 11.08 H new ATOM 0 HA ILE A 61 10.145 0.205 3.977 1.00 11.78 H new ATOM 0 HB ILE A 61 8.932 1.013 1.303 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.793 0.952 4.171 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.634 2.365 3.565 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.251 -0.721 1.773 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.864 -1.448 1.582 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.168 -1.240 3.207 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.193 2.624 3.316 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.979 2.576 1.720 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.125 1.141 2.335 1.00 11.42 H new ATOM 981 N GLN A 62 11.844 -1.435 3.018 1.00 13.97 N ATOM 982 CA GLN A 62 12.714 -2.460 2.565 1.00 15.52 C ATOM 983 C GLN A 62 12.000 -3.794 2.366 1.00 13.94 C ATOM 984 O GLN A 62 10.857 -3.918 2.824 1.00 12.15 O ATOM 985 CB GLN A 62 13.990 -2.532 3.474 1.00 19.53 C ATOM 986 CG GLN A 62 13.745 -3.295 4.863 1.00 26.38 C ATOM 987 CD GLN A 62 13.321 -2.279 5.921 1.00 30.61 C ATOM 988 OE1 GLN A 62 12.337 -1.535 5.873 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.161 -2.163 6.965 1.00 32.71 N ATOM 0 H GLN A 62 11.767 -1.396 4.034 1.00 13.97 H new ATOM 0 HA GLN A 62 13.062 -2.203 1.565 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.787 -3.036 2.928 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.336 -1.519 3.681 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.975 -4.057 4.743 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.655 -3.807 5.176 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.981 -2.766 7.029 1.00 32.71 H new ATOM 0 HE22 GLN A 62 13.978 -1.472 7.693 1.00 32.71 H new ATOM 998 N LYS A 63 12.687 -4.815 1.689 1.00 11.73 N ATOM 999 CA LYS A 63 12.026 -6.133 1.431 1.00 11.97 C ATOM 1000 C LYS A 63 11.442 -6.906 2.606 1.00 10.41 C ATOM 1001 O LYS A 63 12.029 -6.866 3.723 1.00 9.59 O ATOM 1002 CB LYS A 63 12.958 -7.090 0.677 1.00 13.73 C ATOM 1003 CG LYS A 63 14.084 -7.847 1.365 1.00 16.98 C ATOM 1004 CD LYS A 63 15.000 -8.685 0.453 1.00 20.19 C ATOM 1005 CE LYS A 63 15.767 -9.810 1.077 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.852 -9.274 1.991 1.00 25.97 N ATOM 0 H LYS A 63 13.642 -4.737 1.340 1.00 11.73 H new ATOM 0 HA LYS A 63 11.165 -5.809 0.846 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.321 -7.839 0.206 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.416 -6.511 -0.125 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.702 -7.127 1.902 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.645 -8.510 2.111 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.387 -9.101 -0.347 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.717 -8.009 -0.014 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.090 -10.449 1.644 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.213 -10.429 0.299 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.373 -10.068 2.414 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.508 -8.683 1.442 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.420 -8.702 2.745 1.00 25.97 H new ATOM 1020 N GLU A 64 10.304 -7.526 2.406 1.00 10.04 N ATOM 1021 CA GLU A 64 9.659 -8.327 3.423 1.00 10.94 C ATOM 1022 C GLU A 64 9.015 -7.557 4.599 1.00 9.74 C ATOM 1023 O GLU A 64 8.631 -8.135 5.608 1.00 9.42 O ATOM 1024 CB GLU A 64 10.437 -9.522 3.989 1.00 18.31 C ATOM 1025 CG GLU A 64 10.898 -10.600 2.939 1.00 24.16 C ATOM 1026 CD GLU A 64 11.989 -11.588 3.372 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.660 -12.604 4.012 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.133 -11.447 2.882 1.00 32.61 O ATOM 0 H GLU A 64 9.793 -7.489 1.524 1.00 10.04 H new ATOM 0 HA GLU A 64 8.866 -8.730 2.793 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.320 -9.145 4.505 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.816 -10.014 4.737 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.022 -11.176 2.641 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.252 -10.076 2.051 1.00 24.16 H new ATOM 1035 N SER A 65 8.854 -6.208 4.484 1.00 6.85 N ATOM 1036 CA SER A 65 8.150 -5.253 5.383 1.00 6.90 C ATOM 1037 C SER A 65 6.659 -5.517 5.465 1.00 4.72 C ATOM 1038 O SER A 65 6.078 -6.008 4.530 1.00 3.91 O ATOM 1039 CB SER A 65 8.434 -3.742 5.038 1.00 7.28 C ATOM 1040 OG SER A 65 9.829 -3.542 5.114 1.00 10.56 O ATOM 0 H SER A 65 9.252 -5.718 3.683 1.00 6.85 H new ATOM 0 HA SER A 65 8.574 -5.437 6.370 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.066 -3.501 4.040 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.914 -3.086 5.736 1.00 7.28 H new ATOM 0 HG SER A 65 10.177 -3.323 4.224 1.00 10.56 H new ATOM 1046 N THR A 66 6.006 -5.267 6.651 1.00 4.48 N ATOM 1047 CA THR A 66 4.558 -5.310 6.802 1.00 3.80 C ATOM 1048 C THR A 66 4.025 -3.848 6.843 1.00 4.60 C ATOM 1049 O THR A 66 4.630 -2.945 7.335 1.00 5.33 O ATOM 1050 CB THR A 66 3.906 -6.173 7.945 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.331 -7.463 7.775 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.369 -6.198 7.977 1.00 3.40 C ATOM 0 H THR A 66 6.496 -5.032 7.514 1.00 4.48 H new ATOM 0 HA THR A 66 4.238 -5.876 5.927 1.00 3.80 H new ATOM 0 HB THR A 66 4.216 -5.710 8.882 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.943 -8.030 8.474 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.032 -6.823 8.804 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.991 -5.184 8.111 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.992 -6.605 7.039 1.00 3.40 H new ATOM 1060 N LEU A 67 2.801 -3.599 6.286 1.00 4.17 N ATOM 1061 CA LEU A 67 2.167 -2.328 6.035 1.00 3.85 C ATOM 1062 C LEU A 67 0.643 -2.559 6.177 1.00 3.80 C ATOM 1063 O LEU A 67 0.272 -3.694 6.331 1.00 5.54 O ATOM 1064 CB LEU A 67 2.424 -1.774 4.614 1.00 7.18 C ATOM 1065 CG LEU A 67 3.860 -1.636 4.091 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.440 -2.808 3.341 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.107 -0.387 3.256 1.00 11.66 C ATOM 0 H LEU A 67 2.206 -4.371 5.986 1.00 4.17 H new ATOM 0 HA LEU A 67 2.575 -1.603 6.739 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.885 -2.413 3.915 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.965 -0.787 4.563 1.00 7.18 H new ATOM 0 HG LEU A 67 4.385 -1.572 5.044 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.458 -2.573 3.030 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.451 -3.685 3.988 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.831 -3.015 2.461 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.146 -0.369 2.927 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.451 -0.396 2.386 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.901 0.499 3.857 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.127 -1.495 6.316 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.508 -1.570 6.665 1.00 4.17 C ATOM 1081 C HIS A 68 -2.324 -1.143 5.518 1.00 5.32 C ATOM 1082 O HIS A 68 -2.069 -0.054 4.880 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.855 -0.556 7.807 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.196 -0.784 9.108 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.181 -0.575 9.293 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.611 -1.348 10.295 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.459 -0.863 10.559 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.585 -1.405 11.208 1.00 16.30 N ATOM 0 H HIS A 68 0.210 -0.542 6.184 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.707 -2.597 6.971 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.597 0.446 7.464 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.934 -0.572 7.963 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.845 -0.260 8.585 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.614 -1.700 10.484 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.420 -0.681 11.017 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.420 -1.913 5.189 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.373 -1.519 4.208 1.00 3.97 C ATOM 1098 C LEU A 69 -5.610 -1.119 5.008 1.00 5.07 C ATOM 1099 O LEU A 69 -6.379 -1.936 5.541 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.724 -2.691 3.153 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.068 -2.518 2.383 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.242 -1.205 1.618 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.153 -3.691 1.373 1.00 9.96 C ATOM 0 H LEU A 69 -3.623 -2.813 5.623 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.981 -0.708 3.594 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.914 -2.756 2.426 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.751 -3.641 3.687 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.859 -2.507 3.133 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.213 -1.198 1.123 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.184 -0.368 2.314 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.453 -1.112 0.871 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.081 -3.616 0.806 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.305 -3.645 0.690 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.133 -4.638 1.913 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.903 0.197 5.017 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.067 0.805 5.672 1.00 6.26 C ATOM 1117 C VAL A 70 -7.917 1.264 4.552 1.00 9.22 C ATOM 1118 O VAL A 70 -7.456 1.907 3.606 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.550 1.902 6.599 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.667 2.662 7.280 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.595 1.299 7.659 1.00 8.54 C ATOM 0 H VAL A 70 -5.312 0.885 4.551 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.661 0.149 6.308 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.008 2.615 5.978 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.243 3.430 7.927 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.300 3.131 6.527 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.264 1.973 7.877 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.233 2.091 8.315 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.130 0.555 8.250 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.749 0.826 7.160 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.189 0.874 4.561 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.155 1.122 3.499 1.00 16.06 C ATOM 1133 C LEU A 71 -10.813 2.517 3.648 1.00 18.09 C ATOM 1134 O LEU A 71 -10.931 3.034 4.762 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.250 0.042 3.447 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.877 -1.322 2.843 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.571 -1.138 1.339 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.733 -2.134 3.497 1.00 19.57 C ATOM 0 H LEU A 71 -9.590 0.355 5.342 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.596 1.089 2.564 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.604 -0.127 4.464 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.090 0.442 2.879 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.758 -1.933 3.043 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.305 -2.100 0.901 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.452 -0.741 0.834 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -9.740 -0.443 1.219 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.594 -3.069 2.954 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -8.810 -1.555 3.463 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.988 -2.351 4.534 1.00 19.57 H new