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 55 THR OG1 : rot 154:sc= 1.5 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.01 USER MOD Set 2.1: A 22 THR OG1 : rot -170:sc= 0.779 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.883 K(o=1.7,f=-0.012) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.00835 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 160:sc= 0.374 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 130:sc= 0.266 USER MOD Single : A 1 MET CE :methyl -177:sc= -0.636 (180deg=-0.662) USER MOD Single : A 1 MET N :NH3+ -175:sc= 2.4 (180deg=2.36) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= 1.3 (180deg=1.07) USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.256 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00214 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.34 (180deg=1.03) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0.798 (180deg=0.784) USER MOD Single : A 31 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.11) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.16) USER MOD Single : A 41 GLN : amide:sc= 0.784 K(o=0.78,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.72) USER MOD Single : A 59 TYR OH : rot 80:sc= -0.239 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -138:sc= 1.22 (180deg=-0.305) USER MOD Single : A 65 SER OG : rot 85:sc= 1.06 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 10.966 -7.211 -5.256 1.00 9.67 N ATOM 2 CA MET A 1 10.984 -7.471 -3.819 1.00 10.38 C ATOM 3 C MET A 1 9.600 -7.646 -3.182 1.00 9.62 C ATOM 4 O MET A 1 8.626 -7.059 -3.670 1.00 9.62 O ATOM 5 CB MET A 1 11.774 -6.388 -2.993 1.00 13.77 C ATOM 6 CG MET A 1 11.036 -5.042 -2.757 1.00 16.29 C ATOM 7 SD MET A 1 12.069 -3.802 -1.905 1.00 17.17 S ATOM 8 CE MET A 1 10.782 -2.511 -2.146 1.00 16.11 C ATOM 0 H1 MET A 1 11.941 -7.191 -5.617 1.00 9.67 H new ATOM 0 H2 MET A 1 10.434 -7.963 -5.738 1.00 9.67 H new ATOM 0 H3 MET A 1 10.510 -6.294 -5.437 1.00 9.67 H new ATOM 0 HA MET A 1 11.508 -8.425 -3.763 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.030 -6.814 -2.023 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.712 -6.180 -3.507 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.711 -4.639 -3.716 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.138 -5.225 -2.168 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.145 -1.559 -1.759 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.562 -2.411 -3.209 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.875 -2.797 -1.613 1.00 16.11 H new ATOM 20 N GLN A 2 9.587 -8.346 -1.974 1.00 9.27 N ATOM 21 CA GLN A 2 8.332 -8.655 -1.349 1.00 9.07 C ATOM 22 C GLN A 2 7.961 -7.657 -0.324 1.00 8.72 C ATOM 23 O GLN A 2 8.834 -7.215 0.442 1.00 8.22 O ATOM 24 CB GLN A 2 8.336 -10.033 -0.685 1.00 14.46 C ATOM 25 CG GLN A 2 8.687 -11.271 -1.555 1.00 17.01 C ATOM 26 CD GLN A 2 8.364 -12.607 -0.914 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.429 -13.269 -1.400 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.049 -12.999 0.200 1.00 19.49 N ATOM 0 H GLN A 2 10.416 -8.670 -1.476 1.00 9.27 H new ATOM 0 HA GLN A 2 7.601 -8.643 -2.158 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.042 -10.000 0.145 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.347 -10.198 -0.256 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.150 -11.198 -2.501 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.751 -11.244 -1.790 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.809 -12.422 0.561 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.801 -13.869 0.671 1.00 19.49 H new ATOM 37 N ILE A 3 6.659 -7.382 -0.104 1.00 5.87 N ATOM 38 CA ILE A 3 6.226 -6.680 1.104 1.00 5.07 C ATOM 39 C ILE A 3 4.953 -7.323 1.491 1.00 4.01 C ATOM 40 O ILE A 3 4.178 -7.711 0.571 1.00 4.61 O ATOM 41 CB ILE A 3 5.957 -5.123 0.983 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.990 -4.780 -0.148 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.336 -4.335 0.795 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.478 -3.350 -0.251 1.00 10.83 C ATOM 0 H ILE A 3 5.904 -7.635 -0.742 1.00 5.87 H new ATOM 0 HA ILE A 3 7.046 -6.755 1.818 1.00 5.07 H new ATOM 0 HB ILE A 3 5.483 -4.808 1.913 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.480 -5.027 -1.090 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.125 -5.437 -0.057 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.136 -3.267 0.713 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.980 -4.519 1.655 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.833 -4.682 -0.111 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.803 -3.266 -1.102 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.944 -3.088 0.663 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.320 -2.671 -0.387 1.00 10.83 H new ATOM 56 N PHE A 4 4.630 -7.444 2.791 1.00 4.55 N ATOM 57 CA PHE A 4 3.340 -8.004 3.258 1.00 4.68 C ATOM 58 C PHE A 4 2.377 -6.913 3.666 1.00 5.30 C ATOM 59 O PHE A 4 2.662 -6.111 4.559 1.00 5.58 O ATOM 60 CB PHE A 4 3.549 -8.959 4.395 1.00 4.83 C ATOM 61 CG PHE A 4 4.690 -9.896 4.146 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.515 -11.003 3.330 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.941 -9.638 4.676 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.673 -11.848 3.024 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.069 -10.413 4.323 1.00 10.61 C ATOM 66 CZ PHE A 4 6.951 -11.483 3.490 1.00 8.90 C ATOM 0 H PHE A 4 5.251 -7.159 3.549 1.00 4.55 H new ATOM 0 HA PHE A 4 2.902 -8.548 2.421 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.736 -8.396 5.310 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.637 -9.534 4.556 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.541 -11.239 2.926 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.059 -8.825 5.377 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.546 -12.749 2.442 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.039 -10.152 4.720 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.824 -12.044 3.191 1.00 8.90 H new ATOM 76 N VAL A 5 1.198 -6.914 3.085 1.00 4.44 N ATOM 77 CA VAL A 5 0.140 -5.919 3.445 1.00 3.87 C ATOM 78 C VAL A 5 -0.948 -6.515 4.242 1.00 4.93 C ATOM 79 O VAL A 5 -1.662 -7.401 3.767 1.00 6.84 O ATOM 80 CB VAL A 5 -0.385 -5.320 2.200 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.463 -4.301 2.630 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.818 -4.576 1.556 1.00 9.13 C ATOM 0 H VAL A 5 0.922 -7.578 2.362 1.00 4.44 H new ATOM 0 HA VAL A 5 0.588 -5.149 4.074 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.810 -6.043 1.504 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.887 -3.825 1.746 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.252 -4.815 3.179 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.012 -3.542 3.269 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.499 -4.106 0.625 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.182 -3.811 2.242 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.617 -5.288 1.348 1.00 9.13 H new ATOM 92 N LYS A 6 -1.033 -6.169 5.550 1.00 6.04 N ATOM 93 CA LYS A 6 -2.143 -6.536 6.363 1.00 6.12 C ATOM 94 C LYS A 6 -3.408 -5.736 6.086 1.00 6.57 C ATOM 95 O LYS A 6 -3.452 -4.505 6.108 1.00 5.76 O ATOM 96 CB LYS A 6 -1.677 -6.338 7.885 1.00 7.45 C ATOM 97 CG LYS A 6 -0.363 -6.990 8.293 1.00 11.12 C ATOM 98 CD LYS A 6 -0.389 -8.470 8.411 1.00 14.54 C ATOM 99 CE LYS A 6 0.980 -8.984 8.751 1.00 18.84 C ATOM 100 NZ LYS A 6 0.869 -10.471 9.000 1.00 20.55 N ATOM 0 H LYS A 6 -0.319 -5.629 6.039 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.415 -7.568 6.140 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.600 -5.268 8.080 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.463 -6.724 8.534 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.400 -6.715 7.564 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.053 -6.573 9.251 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.100 -8.769 9.181 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.730 -8.911 7.474 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.676 -8.784 7.936 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.369 -8.477 9.634 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.807 -10.910 8.903 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.508 -10.636 9.961 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.216 -10.891 8.308 1.00 20.55 H new ATOM 114 N THR A 7 -4.552 -6.464 5.921 1.00 7.41 N ATOM 115 CA THR A 7 -5.921 -5.851 5.824 1.00 7.48 C ATOM 116 C THR A 7 -6.733 -5.852 7.082 1.00 8.75 C ATOM 117 O THR A 7 -6.341 -6.544 8.064 1.00 8.58 O ATOM 118 CB THR A 7 -6.796 -6.326 4.680 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.530 -7.519 5.027 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.943 -6.669 3.488 1.00 9.17 C ATOM 0 H THR A 7 -4.557 -7.482 5.852 1.00 7.41 H new ATOM 0 HA THR A 7 -5.624 -4.824 5.610 1.00 7.48 H new ATOM 0 HB THR A 7 -7.490 -5.515 4.458 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.084 -7.795 4.267 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.579 -7.009 2.671 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.388 -5.786 3.172 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.244 -7.461 3.757 1.00 9.17 H new ATOM 128 N LEU A 8 -7.863 -5.159 7.112 1.00 9.84 N ATOM 129 CA LEU A 8 -8.803 -5.052 8.289 1.00 14.15 C ATOM 130 C LEU A 8 -9.351 -6.405 8.710 1.00 17.37 C ATOM 131 O LEU A 8 -9.332 -6.747 9.883 1.00 17.01 O ATOM 132 CB LEU A 8 -10.085 -4.176 7.961 1.00 16.63 C ATOM 133 CG LEU A 8 -11.010 -3.700 9.116 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.252 -2.793 10.035 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.158 -2.941 8.474 1.00 18.59 C ATOM 0 H LEU A 8 -8.188 -4.627 6.305 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.198 -4.599 9.074 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.745 -3.287 7.429 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.700 -4.747 7.266 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.375 -4.545 9.700 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.906 -2.463 10.842 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.400 -3.329 10.454 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.897 -1.926 9.479 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.837 -2.585 9.249 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.765 -2.090 7.917 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.696 -3.602 7.795 1.00 18.59 H new ATOM 147 N THR A 9 -9.778 -7.150 7.705 1.00 18.33 N ATOM 148 CA THR A 9 -10.545 -8.381 7.879 1.00 19.24 C ATOM 149 C THR A 9 -9.682 -9.666 8.155 1.00 19.48 C ATOM 150 O THR A 9 -10.141 -10.769 7.987 1.00 23.14 O ATOM 151 CB THR A 9 -11.434 -8.608 6.709 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.714 -8.523 5.447 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.472 -7.532 6.548 1.00 19.70 C ATOM 0 H THR A 9 -9.601 -6.917 6.728 1.00 18.33 H new ATOM 0 HA THR A 9 -11.134 -8.224 8.783 1.00 19.24 H new ATOM 0 HB THR A 9 -11.861 -9.591 6.908 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.335 -8.680 4.705 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.091 -7.751 5.678 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.098 -7.494 7.439 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.980 -6.569 6.410 1.00 19.70 H new ATOM 161 N GLY A 10 -8.419 -9.451 8.558 1.00 19.43 N ATOM 162 CA GLY A 10 -7.423 -10.405 9.048 1.00 18.74 C ATOM 163 C GLY A 10 -6.596 -11.113 7.989 1.00 17.62 C ATOM 164 O GLY A 10 -5.823 -12.014 8.361 1.00 19.74 O ATOM 0 H GLY A 10 -8.036 -8.506 8.545 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.744 -9.878 9.718 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.936 -11.160 9.644 1.00 18.74 H new ATOM 168 N LYS A 11 -6.731 -10.727 6.718 1.00 13.56 N ATOM 169 CA LYS A 11 -5.835 -11.169 5.679 1.00 11.91 C ATOM 170 C LYS A 11 -4.466 -10.542 5.578 1.00 10.18 C ATOM 171 O LYS A 11 -4.199 -9.360 5.801 1.00 9.10 O ATOM 172 CB LYS A 11 -6.610 -10.973 4.407 1.00 13.43 C ATOM 173 CG LYS A 11 -5.968 -11.588 3.105 1.00 16.69 C ATOM 174 CD LYS A 11 -7.098 -11.896 2.138 1.00 17.92 C ATOM 175 CE LYS A 11 -6.588 -12.784 1.010 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.726 -13.026 0.035 1.00 21.93 N ATOM 0 H LYS A 11 -7.467 -10.100 6.394 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.557 -12.197 5.911 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.602 -11.406 4.539 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.748 -9.903 4.250 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.262 -10.888 2.659 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.411 -12.494 3.344 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.913 -12.393 2.664 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.501 -10.969 1.729 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.749 -12.307 0.502 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.223 -13.731 1.409 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.476 -13.808 -0.603 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.588 -13.272 0.562 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.895 -12.164 -0.522 1.00 21.93 H new ATOM 190 N THR A 12 -3.517 -11.340 5.196 1.00 9.63 N ATOM 191 CA THR A 12 -2.280 -10.749 4.728 1.00 9.85 C ATOM 192 C THR A 12 -2.089 -11.003 3.266 1.00 11.66 C ATOM 193 O THR A 12 -2.084 -12.167 2.860 1.00 12.33 O ATOM 194 CB THR A 12 -1.077 -11.304 5.351 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.138 -11.253 6.795 1.00 10.91 O ATOM 196 CG2 THR A 12 0.170 -10.481 4.991 1.00 9.63 C ATOM 0 H THR A 12 -3.558 -12.359 5.193 1.00 9.63 H new ATOM 0 HA THR A 12 -2.385 -9.694 4.980 1.00 9.85 H new ATOM 0 HB THR A 12 -1.020 -12.329 4.985 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.917 -12.134 7.163 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.046 -10.919 5.469 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.308 -10.483 3.910 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.042 -9.456 5.338 1.00 9.63 H new ATOM 204 N ILE A 13 -1.886 -9.944 2.409 1.00 10.42 N ATOM 205 CA ILE A 13 -1.537 -10.034 0.994 1.00 11.84 C ATOM 206 C ILE A 13 -0.026 -9.886 0.880 1.00 10.55 C ATOM 207 O ILE A 13 0.577 -8.973 1.403 1.00 11.92 O ATOM 208 CB ILE A 13 -2.103 -8.914 0.102 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.559 -8.512 0.337 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.900 -9.225 -1.371 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.959 -7.038 -0.040 1.00 16.46 C ATOM 0 H ILE A 13 -1.971 -8.978 2.725 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.951 -10.984 0.656 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.518 -8.047 0.409 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.195 -9.192 -0.230 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.788 -8.667 1.391 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.311 -8.415 -1.974 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.835 -9.327 -1.578 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.409 -10.156 -1.620 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.016 -6.882 0.175 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.363 -6.338 0.545 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.776 -6.871 -1.101 1.00 16.46 H new ATOM 223 N THR A 14 0.690 -10.765 0.060 1.00 9.39 N ATOM 224 CA THR A 14 2.114 -10.565 -0.344 1.00 9.63 C ATOM 225 C THR A 14 2.107 -9.814 -1.618 1.00 11.20 C ATOM 226 O THR A 14 1.356 -10.236 -2.500 1.00 11.63 O ATOM 227 CB THR A 14 2.912 -11.823 -0.561 1.00 10.38 C ATOM 228 OG1 THR A 14 3.037 -12.461 0.678 1.00 16.30 O ATOM 229 CG2 THR A 14 4.314 -11.446 -1.027 1.00 11.66 C ATOM 0 H THR A 14 0.280 -11.616 -0.324 1.00 9.39 H new ATOM 0 HA THR A 14 2.596 -10.045 0.484 1.00 9.63 H new ATOM 0 HB THR A 14 2.425 -12.461 -1.298 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.737 -12.020 1.204 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.900 -12.351 -1.187 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.249 -10.886 -1.960 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.797 -10.831 -0.268 1.00 11.66 H new ATOM 237 N LEU A 15 2.853 -8.705 -1.758 1.00 8.29 N ATOM 238 CA LEU A 15 2.899 -7.901 -2.943 1.00 9.03 C ATOM 239 C LEU A 15 4.316 -7.948 -3.541 1.00 8.59 C ATOM 240 O LEU A 15 5.313 -8.213 -2.799 1.00 7.79 O ATOM 241 CB LEU A 15 2.647 -6.383 -2.734 1.00 11.08 C ATOM 242 CG LEU A 15 1.216 -6.012 -2.378 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.240 -4.512 -2.195 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.085 -6.512 -3.258 1.00 15.27 C ATOM 0 H LEU A 15 3.452 -8.351 -1.012 1.00 8.29 H new ATOM 0 HA LEU A 15 2.109 -8.320 -3.566 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.306 -6.026 -1.943 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.927 -5.855 -3.645 1.00 11.08 H new ATOM 0 HG LEU A 15 0.940 -6.558 -1.476 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.241 -4.161 -1.935 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.935 -4.254 -1.396 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.561 -4.037 -3.122 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.867 -6.157 -2.863 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.220 -6.136 -4.272 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.089 -7.602 -3.271 1.00 15.27 H new ATOM 256 N GLU A 16 4.411 -7.714 -4.851 1.00 11.04 N ATOM 257 CA GLU A 16 5.707 -7.699 -5.489 1.00 11.50 C ATOM 258 C GLU A 16 6.029 -6.307 -6.075 1.00 10.13 C ATOM 259 O GLU A 16 5.315 -5.834 -6.968 1.00 9.83 O ATOM 260 CB GLU A 16 5.740 -8.796 -6.670 1.00 17.22 C ATOM 261 CG GLU A 16 7.124 -8.810 -7.397 1.00 23.33 C ATOM 262 CD GLU A 16 8.336 -9.226 -6.584 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.229 -9.881 -5.519 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.412 -8.714 -6.941 1.00 28.90 O ATOM 0 H GLU A 16 3.620 -7.537 -5.470 1.00 11.04 H new ATOM 0 HA GLU A 16 6.458 -7.936 -4.735 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.534 -9.784 -6.257 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.951 -8.581 -7.391 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.047 -9.479 -8.254 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.309 -7.810 -7.789 1.00 23.33 H new ATOM 271 N VAL A 17 7.095 -5.611 -5.551 1.00 8.99 N ATOM 272 CA VAL A 17 7.300 -4.183 -5.599 1.00 8.85 C ATOM 273 C VAL A 17 8.728 -3.928 -5.966 1.00 8.04 C ATOM 274 O VAL A 17 9.518 -4.893 -5.946 1.00 8.99 O ATOM 275 CB VAL A 17 6.941 -3.376 -4.305 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.410 -3.520 -4.030 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.656 -3.940 -3.143 1.00 10.54 C ATOM 0 H VAL A 17 7.854 -6.090 -5.066 1.00 8.99 H new ATOM 0 HA VAL A 17 6.593 -3.815 -6.343 1.00 8.85 H new ATOM 0 HB VAL A 17 7.222 -2.333 -4.450 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.148 -2.962 -3.131 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.849 -3.126 -4.878 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.163 -4.572 -3.889 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.400 -3.373 -2.248 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.365 -4.982 -3.008 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.731 -3.883 -3.314 1.00 10.54 H new ATOM 287 N GLU A 18 9.127 -2.734 -6.259 1.00 7.29 N ATOM 288 CA GLU A 18 10.516 -2.339 -6.416 1.00 7.08 C ATOM 289 C GLU A 18 10.613 -0.956 -5.771 1.00 6.45 C ATOM 290 O GLU A 18 9.617 -0.239 -5.640 1.00 5.28 O ATOM 291 CB GLU A 18 10.745 -2.100 -7.927 1.00 10.28 C ATOM 292 CG GLU A 18 10.795 -3.501 -8.717 1.00 12.65 C ATOM 293 CD GLU A 18 12.044 -4.307 -8.262 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.172 -3.815 -8.577 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.977 -5.402 -7.677 1.00 14.33 O ATOM 0 H GLU A 18 8.476 -1.962 -6.405 1.00 7.29 H new ATOM 0 HA GLU A 18 11.209 -3.071 -6.000 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.945 -1.478 -8.328 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.678 -1.557 -8.078 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.888 -4.074 -8.522 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.835 -3.324 -9.792 1.00 12.65 H new ATOM 302 N PRO A 19 11.801 -0.424 -5.304 1.00 7.24 N ATOM 303 CA PRO A 19 12.082 0.922 -4.738 1.00 7.07 C ATOM 304 C PRO A 19 11.599 2.098 -5.533 1.00 6.65 C ATOM 305 O PRO A 19 11.274 3.099 -4.965 1.00 6.37 O ATOM 306 CB PRO A 19 13.601 0.953 -4.608 1.00 7.61 C ATOM 307 CG PRO A 19 13.961 -0.521 -4.347 1.00 8.16 C ATOM 308 CD PRO A 19 12.980 -1.327 -5.154 1.00 7.49 C ATOM 0 HA PRO A 19 11.533 1.036 -3.803 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.075 1.329 -5.515 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.922 1.597 -3.789 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.986 -0.734 -4.650 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.886 -0.761 -3.286 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.395 -1.605 -6.123 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.711 -2.253 -4.645 1.00 7.49 H new ATOM 316 N SER A 20 11.514 1.982 -6.866 1.00 6.80 N ATOM 317 CA SER A 20 11.036 3.002 -7.780 1.00 6.28 C ATOM 318 C SER A 20 9.550 2.889 -8.163 1.00 8.45 C ATOM 319 O SER A 20 9.112 3.539 -9.090 1.00 7.26 O ATOM 320 CB SER A 20 11.878 3.043 -9.077 1.00 8.57 C ATOM 321 OG SER A 20 11.974 1.714 -9.613 1.00 11.13 O ATOM 0 H SER A 20 11.793 1.128 -7.349 1.00 6.80 H new ATOM 0 HA SER A 20 11.149 3.928 -7.216 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.416 3.710 -9.805 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.872 3.438 -8.868 1.00 8.57 H new ATOM 0 HG SER A 20 12.505 1.731 -10.437 1.00 11.13 H new ATOM 327 N ASP A 21 8.784 2.027 -7.490 1.00 7.50 N ATOM 328 CA ASP A 21 7.356 1.923 -7.601 1.00 7.70 C ATOM 329 C ASP A 21 6.832 3.145 -6.874 1.00 7.08 C ATOM 330 O ASP A 21 7.376 3.410 -5.815 1.00 8.11 O ATOM 331 CB ASP A 21 6.716 0.678 -6.991 1.00 11.00 C ATOM 332 CG ASP A 21 6.760 -0.432 -7.921 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.790 -0.350 -9.183 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.913 -1.596 -7.413 1.00 18.03 O ATOM 0 H ASP A 21 9.176 1.359 -6.826 1.00 7.50 H new ATOM 0 HA ASP A 21 7.102 1.853 -8.659 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.237 0.409 -6.072 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.682 0.891 -6.721 1.00 11.00 H new ATOM 339 N THR A 22 5.771 3.875 -7.315 1.00 5.37 N ATOM 340 CA THR A 22 5.006 4.765 -6.471 1.00 6.01 C ATOM 341 C THR A 22 4.012 3.968 -5.602 1.00 8.01 C ATOM 342 O THR A 22 3.637 2.786 -5.830 1.00 8.11 O ATOM 343 CB THR A 22 4.342 5.814 -7.294 1.00 8.92 C ATOM 344 OG1 THR A 22 3.460 5.199 -8.252 1.00 10.22 O ATOM 345 CG2 THR A 22 5.335 6.670 -8.077 1.00 9.65 C ATOM 0 H THR A 22 5.439 3.845 -8.279 1.00 5.37 H new ATOM 0 HA THR A 22 5.679 5.278 -5.784 1.00 6.01 H new ATOM 0 HB THR A 22 3.801 6.452 -6.595 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.149 5.874 -8.891 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.793 7.417 -8.658 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.010 7.170 -7.383 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.911 6.035 -8.750 1.00 9.65 H new ATOM 353 N ILE A 23 3.432 4.583 -4.575 1.00 8.32 N ATOM 354 CA ILE A 23 2.363 4.043 -3.731 1.00 9.92 C ATOM 355 C ILE A 23 1.129 3.834 -4.570 1.00 10.01 C ATOM 356 O ILE A 23 0.255 2.942 -4.299 1.00 8.71 O ATOM 357 CB ILE A 23 1.909 4.987 -2.586 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.100 5.364 -1.674 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.697 4.426 -1.742 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.837 4.168 -1.090 1.00 12.30 C ATOM 0 H ILE A 23 3.708 5.523 -4.291 1.00 8.32 H new ATOM 0 HA ILE A 23 2.778 3.131 -3.301 1.00 9.92 H new ATOM 0 HB ILE A 23 1.538 5.890 -3.071 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.805 5.968 -2.246 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.736 5.987 -0.857 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.436 5.140 -0.961 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.162 4.273 -2.396 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.979 3.477 -1.286 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.657 4.517 -0.463 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.148 3.574 -0.489 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.234 3.555 -1.899 1.00 12.30 H new ATOM 372 N GLU A 24 1.072 4.606 -5.692 1.00 9.54 N ATOM 373 CA GLU A 24 0.007 4.542 -6.730 1.00 11.81 C ATOM 374 C GLU A 24 0.052 3.212 -7.478 1.00 11.14 C ATOM 375 O GLU A 24 -0.931 2.483 -7.618 1.00 10.62 O ATOM 376 CB GLU A 24 0.067 5.786 -7.675 1.00 19.24 C ATOM 377 CG GLU A 24 -0.866 5.713 -8.902 1.00 27.76 C ATOM 378 CD GLU A 24 -0.707 6.844 -9.834 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.134 7.951 -9.556 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.068 6.593 -10.928 1.00 34.80 O ATOM 0 H GLU A 24 1.783 5.306 -5.903 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.965 4.582 -6.237 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.184 6.676 -7.098 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.092 5.911 -8.023 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.676 4.783 -9.437 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.900 5.678 -8.560 1.00 27.76 H new ATOM 387 N ASN A 25 1.256 2.809 -7.887 1.00 9.43 N ATOM 388 CA ASN A 25 1.594 1.468 -8.262 1.00 10.96 C ATOM 389 C ASN A 25 1.337 0.407 -7.212 1.00 9.68 C ATOM 390 O ASN A 25 0.877 -0.687 -7.493 1.00 9.33 O ATOM 391 CB ASN A 25 3.080 1.262 -8.757 1.00 16.78 C ATOM 392 CG ASN A 25 3.164 1.851 -10.141 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.254 1.131 -11.064 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.350 3.162 -10.265 1.00 24.70 N ATOM 0 H ASN A 25 2.046 3.450 -7.963 1.00 9.43 H new ATOM 0 HA ASN A 25 0.901 1.332 -9.093 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.783 1.754 -8.084 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.339 0.203 -8.771 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.576 3.561 -11.176 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.267 3.768 -9.449 1.00 24.70 H new ATOM 401 N VAL A 26 1.593 0.642 -5.932 1.00 6.52 N ATOM 402 CA VAL A 26 1.181 -0.336 -4.880 1.00 5.53 C ATOM 403 C VAL A 26 -0.316 -0.595 -4.802 1.00 4.42 C ATOM 404 O VAL A 26 -0.734 -1.715 -4.646 1.00 3.40 O ATOM 405 CB VAL A 26 1.741 0.060 -3.526 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.354 -1.034 -2.522 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.252 0.110 -3.714 1.00 8.12 C ATOM 0 H VAL A 26 2.070 1.473 -5.582 1.00 6.52 H new ATOM 0 HA VAL A 26 1.615 -1.288 -5.186 1.00 5.53 H new ATOM 0 HB VAL A 26 1.365 1.015 -3.159 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.743 -0.778 -1.537 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.268 -1.116 -2.473 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.775 -1.987 -2.842 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.727 0.391 -2.774 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.613 -0.871 -4.024 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.499 0.846 -4.479 1.00 8.12 H new ATOM 417 N LYS A 27 -1.156 0.450 -4.940 1.00 2.64 N ATOM 418 CA LYS A 27 -2.569 0.352 -4.959 1.00 4.14 C ATOM 419 C LYS A 27 -3.153 -0.302 -6.192 1.00 5.58 C ATOM 420 O LYS A 27 -4.171 -1.022 -6.169 1.00 4.11 O ATOM 421 CB LYS A 27 -3.182 1.776 -4.859 1.00 3.97 C ATOM 422 CG LYS A 27 -2.804 2.562 -3.576 1.00 7.45 C ATOM 423 CD LYS A 27 -3.439 3.998 -3.495 1.00 9.02 C ATOM 424 CE LYS A 27 -3.167 4.534 -2.081 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.739 5.852 -1.871 1.00 15.47 N ATOM 0 H LYS A 27 -0.823 1.408 -5.043 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.819 -0.285 -4.111 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.866 2.354 -5.728 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.268 1.693 -4.910 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.118 1.987 -2.705 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.719 2.652 -3.524 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.002 4.655 -4.247 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.510 3.957 -3.692 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.578 3.841 -1.347 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.091 4.576 -1.912 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.232 6.332 -1.100 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.652 6.411 -2.743 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.744 5.758 -1.619 1.00 15.47 H new ATOM 439 N ALA A 28 -2.429 -0.153 -7.347 1.00 6.61 N ATOM 440 CA ALA A 28 -2.639 -0.918 -8.601 1.00 7.74 C ATOM 441 C ALA A 28 -2.426 -2.445 -8.423 1.00 9.17 C ATOM 442 O ALA A 28 -3.181 -3.269 -8.933 1.00 11.45 O ATOM 443 CB ALA A 28 -1.710 -0.395 -9.661 1.00 7.68 C ATOM 0 H ALA A 28 -1.667 0.521 -7.423 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.679 -0.778 -8.896 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.860 -0.954 -10.585 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.917 0.660 -9.838 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.678 -0.512 -9.330 1.00 7.68 H new ATOM 449 N LYS A 29 -1.437 -2.765 -7.581 1.00 8.96 N ATOM 450 CA LYS A 29 -1.173 -4.115 -7.206 1.00 7.90 C ATOM 451 C LYS A 29 -2.219 -4.787 -6.355 1.00 6.92 C ATOM 452 O LYS A 29 -2.553 -5.947 -6.634 1.00 6.87 O ATOM 453 CB LYS A 29 0.233 -4.292 -6.550 1.00 10.28 C ATOM 454 CG LYS A 29 1.397 -3.943 -7.515 1.00 14.94 C ATOM 455 CD LYS A 29 2.742 -3.805 -6.826 1.00 19.69 C ATOM 456 CE LYS A 29 3.820 -3.184 -7.763 1.00 22.63 C ATOM 457 NZ LYS A 29 4.140 -4.097 -8.865 1.00 24.98 N ATOM 0 H LYS A 29 -0.812 -2.081 -7.154 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.201 -4.630 -8.166 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.298 -3.658 -5.666 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.344 -5.322 -6.212 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.468 -4.717 -8.279 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.164 -3.010 -8.028 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.632 -3.182 -5.938 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.078 -4.785 -6.488 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.459 -2.237 -8.163 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.722 -2.965 -7.192 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.809 -3.636 -9.514 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.569 -4.965 -8.484 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.269 -4.338 -9.380 1.00 24.98 H new ATOM 471 N ILE A 30 -2.661 -4.070 -5.303 1.00 4.57 N ATOM 472 CA ILE A 30 -3.641 -4.519 -4.342 1.00 5.58 C ATOM 473 C ILE A 30 -5.034 -4.740 -5.018 1.00 7.26 C ATOM 474 O ILE A 30 -5.744 -5.662 -4.658 1.00 9.46 O ATOM 475 CB ILE A 30 -3.752 -3.559 -3.173 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.456 -3.665 -2.401 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.924 -3.836 -2.247 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.119 -2.543 -1.391 1.00 2.00 C ATOM 0 H ILE A 30 -2.321 -3.128 -5.108 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.300 -5.478 -3.951 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.931 -2.559 -3.568 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.467 -4.610 -1.859 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.641 -3.721 -3.123 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.930 -3.105 -1.439 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.856 -3.764 -2.808 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.828 -4.838 -1.829 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.162 -2.757 -0.916 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.060 -1.588 -1.914 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.898 -2.492 -0.630 1.00 2.00 H new ATOM 490 N GLN A 31 -5.401 -3.949 -6.022 1.00 7.06 N ATOM 491 CA GLN A 31 -6.587 -4.116 -6.812 1.00 8.67 C ATOM 492 C GLN A 31 -6.603 -5.392 -7.607 1.00 10.90 C ATOM 493 O GLN A 31 -7.581 -6.118 -7.741 1.00 9.63 O ATOM 494 CB GLN A 31 -6.614 -2.987 -7.820 1.00 9.12 C ATOM 495 CG GLN A 31 -7.958 -3.107 -8.664 1.00 10.76 C ATOM 496 CD GLN A 31 -8.107 -1.867 -9.565 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.214 -1.268 -9.651 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.060 -1.451 -10.276 1.00 14.76 N ATOM 0 H GLN A 31 -4.846 -3.143 -6.309 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.435 -4.130 -6.128 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.568 -2.023 -7.313 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.746 -3.043 -8.477 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.940 -4.012 -9.272 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.815 -3.190 -7.995 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.167 -1.939 -10.203 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.151 -0.644 -10.894 1.00 14.76 H new ATOM 507 N ASP A 32 -5.464 -5.805 -8.216 1.00 10.93 N ATOM 508 CA ASP A 32 -5.274 -7.057 -8.890 1.00 14.01 C ATOM 509 C ASP A 32 -5.472 -8.205 -7.966 1.00 14.04 C ATOM 510 O ASP A 32 -6.226 -9.093 -8.256 1.00 13.39 O ATOM 511 CB ASP A 32 -3.813 -6.947 -9.487 1.00 18.01 C ATOM 512 CG ASP A 32 -3.604 -8.082 -10.503 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.527 -9.264 -10.130 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.540 -7.826 -11.729 1.00 26.29 O ATOM 0 H ASP A 32 -4.626 -5.224 -8.236 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.002 -7.245 -9.680 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.675 -5.979 -9.969 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.074 -7.014 -8.689 1.00 18.01 H new ATOM 519 N LYS A 33 -4.807 -8.209 -6.780 1.00 14.22 N ATOM 520 CA LYS A 33 -5.011 -9.180 -5.761 1.00 14.00 C ATOM 521 C LYS A 33 -6.353 -9.296 -5.147 1.00 12.37 C ATOM 522 O LYS A 33 -6.944 -10.392 -5.159 1.00 12.17 O ATOM 523 CB LYS A 33 -4.063 -8.985 -4.598 1.00 18.62 C ATOM 524 CG LYS A 33 -2.609 -8.898 -4.981 1.00 24.00 C ATOM 525 CD LYS A 33 -2.043 -10.323 -5.197 1.00 27.61 C ATOM 526 CE LYS A 33 -0.505 -10.183 -5.370 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.002 -11.474 -5.713 1.00 30.06 N ATOM 0 H LYS A 33 -4.108 -7.508 -6.536 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.842 -10.088 -6.339 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.341 -8.073 -4.069 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.192 -9.811 -3.899 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.497 -8.309 -5.891 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.047 -8.387 -4.200 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.278 -10.964 -4.347 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.489 -10.785 -6.078 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.269 -9.458 -6.149 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.045 -9.822 -4.450 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.029 -11.423 -5.838 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.225 -12.147 -4.952 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.443 -11.794 -6.599 1.00 30.06 H new ATOM 541 N GLU A 34 -6.960 -8.208 -4.658 1.00 10.11 N ATOM 542 CA GLU A 34 -8.148 -8.213 -3.902 1.00 10.07 C ATOM 543 C GLU A 34 -9.381 -7.639 -4.508 1.00 9.32 C ATOM 544 O GLU A 34 -10.478 -7.927 -4.070 1.00 11.61 O ATOM 545 CB GLU A 34 -7.931 -7.573 -2.519 1.00 14.77 C ATOM 546 CG GLU A 34 -7.096 -8.560 -1.670 1.00 18.75 C ATOM 547 CD GLU A 34 -7.912 -9.693 -1.049 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.719 -9.380 -0.096 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.641 -10.815 -1.439 1.00 25.19 O ATOM 0 H GLU A 34 -6.590 -7.269 -4.805 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.356 -9.281 -3.842 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.413 -6.619 -2.616 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.887 -7.369 -2.038 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.315 -8.990 -2.296 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.598 -8.007 -0.874 1.00 18.75 H new ATOM 556 N GLY A 35 -9.273 -6.832 -5.591 1.00 7.22 N ATOM 557 CA GLY A 35 -10.442 -6.210 -6.275 1.00 6.29 C ATOM 558 C GLY A 35 -10.915 -4.934 -5.659 1.00 6.93 C ATOM 559 O GLY A 35 -11.967 -4.411 -6.058 1.00 7.41 O ATOM 0 H GLY A 35 -8.378 -6.592 -6.017 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.179 -6.020 -7.316 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.266 -6.924 -6.279 1.00 6.29 H new ATOM 563 N ILE A 36 -10.166 -4.398 -4.664 1.00 5.86 N ATOM 564 CA ILE A 36 -10.419 -3.129 -4.008 1.00 6.07 C ATOM 565 C ILE A 36 -10.031 -1.898 -4.880 1.00 6.36 C ATOM 566 O ILE A 36 -8.848 -1.796 -5.226 1.00 6.18 O ATOM 567 CB ILE A 36 -9.695 -3.061 -2.683 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.175 -4.286 -1.799 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.836 -1.691 -1.967 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.526 -4.314 -0.382 1.00 9.49 C ATOM 0 H ILE A 36 -9.341 -4.871 -4.295 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.496 -3.082 -3.847 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.622 -3.141 -2.858 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.259 -4.247 -1.694 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.938 -5.215 -2.318 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.291 -1.716 -1.023 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.427 -0.905 -2.602 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.889 -1.489 -1.773 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.897 -5.177 0.171 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.443 -4.384 -0.479 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.784 -3.401 0.154 1.00 9.49 H new ATOM 582 N PRO A 37 -10.871 -0.918 -5.226 1.00 8.65 N ATOM 583 CA PRO A 37 -10.490 0.173 -6.155 1.00 9.18 C ATOM 584 C PRO A 37 -9.480 1.121 -5.569 1.00 9.85 C ATOM 585 O PRO A 37 -9.745 1.662 -4.491 1.00 8.51 O ATOM 586 CB PRO A 37 -11.862 0.949 -6.353 1.00 11.42 C ATOM 587 CG PRO A 37 -12.984 -0.024 -5.885 1.00 9.27 C ATOM 588 CD PRO A 37 -12.266 -0.932 -4.867 1.00 8.33 C ATOM 0 HA PRO A 37 -10.032 -0.217 -7.064 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.876 1.869 -5.769 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.002 1.232 -7.396 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.816 0.512 -5.429 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.392 -0.597 -6.717 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.410 -0.566 -3.850 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.666 -1.945 -4.900 1.00 8.33 H new ATOM 596 N PRO A 38 -8.420 1.500 -6.214 1.00 8.71 N ATOM 597 CA PRO A 38 -7.429 2.435 -5.613 1.00 9.08 C ATOM 598 C PRO A 38 -7.883 3.863 -5.078 1.00 9.28 C ATOM 599 O PRO A 38 -7.169 4.401 -4.240 1.00 6.50 O ATOM 600 CB PRO A 38 -6.439 2.589 -6.753 1.00 10.31 C ATOM 601 CG PRO A 38 -6.493 1.262 -7.492 1.00 10.81 C ATOM 602 CD PRO A 38 -7.951 0.860 -7.405 1.00 12.00 C ATOM 0 HA PRO A 38 -7.085 2.008 -4.671 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.713 3.418 -7.406 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.435 2.795 -6.381 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.168 1.367 -8.527 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.845 0.519 -7.028 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.509 1.191 -8.281 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.063 -0.223 -7.346 1.00 12.00 H new ATOM 610 N ASP A 39 -9.024 4.391 -5.586 1.00 11.20 N ATOM 611 CA ASP A 39 -9.629 5.550 -4.949 1.00 14.96 C ATOM 612 C ASP A 39 -10.007 5.287 -3.480 1.00 13.99 C ATOM 613 O ASP A 39 -10.084 6.251 -2.691 1.00 13.75 O ATOM 614 CB ASP A 39 -10.812 6.073 -5.745 1.00 24.16 C ATOM 615 CG ASP A 39 -10.207 6.898 -6.876 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.756 8.027 -6.625 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.198 6.385 -8.028 1.00 35.55 O ATOM 0 H ASP A 39 -9.517 4.037 -6.406 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.868 6.330 -4.939 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.415 5.254 -6.136 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.467 6.682 -5.121 1.00 24.16 H new ATOM 622 N GLN A 40 -10.461 4.082 -3.175 1.00 11.60 N ATOM 623 CA GLN A 40 -10.974 3.653 -1.907 1.00 10.76 C ATOM 624 C GLN A 40 -9.815 3.188 -1.009 1.00 8.01 C ATOM 625 O GLN A 40 -9.968 3.096 0.221 1.00 8.96 O ATOM 626 CB GLN A 40 -11.929 2.504 -1.956 1.00 11.14 C ATOM 627 CG GLN A 40 -13.333 2.847 -2.503 1.00 14.85 C ATOM 628 CD GLN A 40 -14.108 3.812 -1.596 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.562 4.845 -2.119 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.331 3.445 -0.328 1.00 18.16 N ATOM 0 H GLN A 40 -10.477 3.332 -3.866 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.508 4.525 -1.530 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.497 1.717 -2.574 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.036 2.097 -0.951 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.233 3.289 -3.494 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.906 1.927 -2.621 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.924 2.582 0.032 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.908 4.029 0.278 1.00 18.16 H new ATOM 639 N GLN A 41 -8.607 2.918 -1.590 1.00 6.52 N ATOM 640 CA GLN A 41 -7.384 2.465 -0.839 1.00 3.87 C ATOM 641 C GLN A 41 -6.624 3.535 -0.201 1.00 4.79 C ATOM 642 O GLN A 41 -6.381 4.595 -0.759 1.00 6.34 O ATOM 643 CB GLN A 41 -6.379 1.808 -1.763 1.00 4.20 C ATOM 644 CG GLN A 41 -6.969 0.503 -2.300 1.00 3.20 C ATOM 645 CD GLN A 41 -5.950 -0.341 -3.023 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.851 -0.443 -2.494 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.367 -0.863 -4.226 1.00 7.13 N ATOM 0 H GLN A 41 -8.449 3.007 -2.594 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.799 1.793 -0.088 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.134 2.477 -2.588 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.451 1.608 -1.228 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.388 -0.069 -1.472 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.792 0.732 -2.977 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.320 -0.699 -4.550 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.723 -1.414 -4.794 1.00 7.13 H new ATOM 656 N ARG A 42 -6.070 3.188 0.979 1.00 5.73 N ATOM 657 CA ARG A 42 -5.113 3.980 1.637 1.00 6.97 C ATOM 658 C ARG A 42 -4.014 3.087 2.145 1.00 7.15 C ATOM 659 O ARG A 42 -4.230 1.953 2.637 1.00 7.33 O ATOM 660 CB ARG A 42 -5.717 4.658 2.919 1.00 13.23 C ATOM 661 CG ARG A 42 -6.562 5.908 2.527 1.00 21.27 C ATOM 662 CD ARG A 42 -7.063 6.767 3.613 1.00 26.14 C ATOM 663 NE ARG A 42 -7.806 7.943 3.030 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.086 8.958 3.784 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.096 8.857 5.084 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.667 10.007 3.236 1.00 36.39 N ATOM 0 H ARG A 42 -6.305 2.329 1.476 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.766 4.731 0.927 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.341 3.944 3.456 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.914 4.952 3.595 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.957 6.526 1.863 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.420 5.564 1.949 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.722 6.196 4.267 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.232 7.117 4.225 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.086 7.939 2.049 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.880 7.964 5.528 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.320 9.671 5.657 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.886 10.006 2.240 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.898 10.819 3.808 1.00 36.39 H new ATOM 680 N LEU A 43 -2.813 3.562 2.018 1.00 4.65 N ATOM 681 CA LEU A 43 -1.686 2.824 2.473 1.00 3.51 C ATOM 682 C LEU A 43 -1.015 3.496 3.636 1.00 5.56 C ATOM 683 O LEU A 43 -0.954 4.689 3.783 1.00 4.19 O ATOM 684 CB LEU A 43 -0.744 2.583 1.273 1.00 3.74 C ATOM 685 CG LEU A 43 -1.266 1.349 0.406 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.578 1.255 -0.925 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.348 -0.073 1.009 1.00 6.41 C ATOM 0 H LEU A 43 -2.592 4.465 1.599 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.002 1.855 2.859 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.695 3.478 0.653 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.267 2.386 1.628 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.312 1.647 0.340 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.968 0.400 -1.477 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.760 2.167 -1.494 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.494 1.130 -0.772 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.727 -0.766 0.257 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.355 -0.391 1.328 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.020 -0.066 1.867 1.00 6.41 H new ATOM 699 N ILE A 44 -0.661 2.557 4.543 1.00 4.58 N ATOM 700 CA ILE A 44 -0.038 2.862 5.819 1.00 5.55 C ATOM 701 C ILE A 44 1.399 2.242 5.898 1.00 5.46 C ATOM 702 O ILE A 44 1.619 1.047 5.549 1.00 6.04 O ATOM 703 CB ILE A 44 -0.892 2.391 6.991 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.330 2.947 6.887 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.255 2.639 8.354 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.407 4.425 7.321 1.00 13.90 C ATOM 0 H ILE A 44 -0.808 1.559 4.393 1.00 4.58 H new ATOM 0 HA ILE A 44 0.047 3.946 5.890 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.954 1.305 6.915 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.683 2.851 5.860 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.996 2.350 7.510 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.921 2.278 9.138 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.696 2.109 8.413 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.084 3.707 8.487 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.435 4.777 7.233 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.079 4.518 8.356 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.761 5.026 6.681 1.00 13.90 H new ATOM 718 N PHE A 45 2.373 2.953 6.534 1.00 6.75 N ATOM 719 CA PHE A 45 3.607 2.238 6.978 1.00 4.70 C ATOM 720 C PHE A 45 3.886 2.925 8.372 1.00 6.34 C ATOM 721 O PHE A 45 4.012 4.132 8.361 1.00 5.45 O ATOM 722 CB PHE A 45 4.830 2.404 6.002 1.00 5.51 C ATOM 723 CG PHE A 45 6.096 1.715 6.471 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.133 0.337 6.859 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.305 2.397 6.495 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.303 -0.307 7.301 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.440 1.779 6.905 1.00 6.64 C ATOM 728 CZ PHE A 45 8.468 0.446 7.347 1.00 6.84 C ATOM 0 H PHE A 45 2.339 3.951 6.741 1.00 6.75 H new ATOM 0 HA PHE A 45 3.471 1.157 7.015 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.556 2.010 5.024 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.035 3.467 5.871 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.219 -0.235 6.810 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.342 3.431 6.184 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.295 -1.347 7.593 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.365 2.337 6.891 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.385 0.012 7.718 1.00 6.84 H new ATOM 738 N ALA A 46 3.823 2.117 9.454 1.00 6.53 N ATOM 739 CA ALA A 46 4.159 2.517 10.786 1.00 7.15 C ATOM 740 C ALA A 46 3.190 3.678 11.219 1.00 9.00 C ATOM 741 O ALA A 46 3.623 4.650 11.843 1.00 11.15 O ATOM 742 CB ALA A 46 5.562 3.029 10.887 1.00 8.99 C ATOM 0 H ALA A 46 3.524 1.144 9.393 1.00 6.53 H new ATOM 0 HA ALA A 46 4.065 1.642 11.429 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.770 3.320 11.917 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.258 2.247 10.584 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.682 3.894 10.234 1.00 8.99 H new ATOM 748 N GLY A 47 1.873 3.521 10.999 1.00 9.35 N ATOM 749 CA GLY A 47 0.806 4.509 11.367 1.00 11.68 C ATOM 750 C GLY A 47 0.608 5.764 10.578 1.00 11.14 C ATOM 751 O GLY A 47 -0.366 6.514 10.719 1.00 13.93 O ATOM 0 H GLY A 47 1.496 2.687 10.549 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.143 3.972 11.355 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.991 4.807 12.399 1.00 11.68 H new ATOM 755 N LYS A 48 1.526 5.990 9.628 1.00 10.47 N ATOM 756 CA LYS A 48 1.478 7.146 8.716 1.00 8.82 C ATOM 757 C LYS A 48 0.907 6.741 7.363 1.00 7.68 C ATOM 758 O LYS A 48 1.316 5.704 6.794 1.00 6.47 O ATOM 759 CB LYS A 48 2.935 7.623 8.536 1.00 9.74 C ATOM 760 CG LYS A 48 3.089 8.728 7.447 1.00 14.14 C ATOM 761 CD LYS A 48 2.338 9.986 7.810 1.00 16.32 C ATOM 762 CE LYS A 48 2.888 11.094 6.839 1.00 20.04 C ATOM 763 NZ LYS A 48 2.001 12.282 6.913 1.00 23.92 N ATOM 0 H LYS A 48 2.325 5.376 9.468 1.00 10.47 H new ATOM 0 HA LYS A 48 0.841 7.931 9.124 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.306 8.005 9.487 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.560 6.770 8.270 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.145 8.962 7.314 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.724 8.350 6.492 1.00 14.14 H new ATOM 0 HD2 LYS A 48 1.263 9.852 7.685 1.00 16.32 H new ATOM 0 HD3 LYS A 48 2.507 10.258 8.852 1.00 16.32 H new ATOM 0 HE2 LYS A 48 3.906 11.366 7.116 1.00 20.04 H new ATOM 0 HE3 LYS A 48 2.926 10.715 5.818 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 2.357 13.021 6.274 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 1.037 12.014 6.630 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 1.987 12.645 7.888 1.00 23.92 H new ATOM 777 N GLN A 49 0.020 7.589 6.823 1.00 8.89 N ATOM 778 CA GLN A 49 -0.515 7.500 5.470 1.00 7.18 C ATOM 779 C GLN A 49 0.454 7.936 4.486 1.00 8.23 C ATOM 780 O GLN A 49 1.137 8.964 4.591 1.00 9.70 O ATOM 781 CB GLN A 49 -1.698 8.369 5.287 1.00 11.67 C ATOM 782 CG GLN A 49 -2.992 7.807 6.011 1.00 15.82 C ATOM 783 CD GLN A 49 -4.143 8.677 5.624 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.473 8.803 4.441 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.693 9.378 6.651 1.00 20.67 N ATOM 0 H GLN A 49 -0.354 8.383 7.342 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.776 6.451 5.332 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.475 9.364 5.672 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.902 8.478 4.222 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.177 6.774 5.716 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.857 7.810 7.093 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.370 9.222 7.606 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.428 10.060 6.467 1.00 20.67 H new ATOM 794 N LEU A 50 0.444 7.148 3.383 1.00 6.51 N ATOM 795 CA LEU A 50 1.461 7.341 2.331 1.00 7.41 C ATOM 796 C LEU A 50 0.803 7.959 1.146 1.00 8.27 C ATOM 797 O LEU A 50 -0.320 7.521 0.786 1.00 8.34 O ATOM 798 CB LEU A 50 1.984 5.883 2.044 1.00 7.13 C ATOM 799 CG LEU A 50 2.474 4.930 3.195 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.985 3.616 2.596 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.592 5.515 4.116 1.00 9.11 C ATOM 0 H LEU A 50 -0.229 6.403 3.205 1.00 6.51 H new ATOM 0 HA LEU A 50 2.284 8.002 2.604 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.183 5.359 1.522 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.812 5.979 1.342 1.00 7.13 H new ATOM 0 HG LEU A 50 1.599 4.784 3.828 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.324 2.958 3.397 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.180 3.131 2.044 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.815 3.823 1.921 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.859 4.780 4.876 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.471 5.752 3.516 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.228 6.421 4.600 1.00 9.11 H new ATOM 813 N GLU A 51 1.378 8.953 0.463 1.00 9.43 N ATOM 814 CA GLU A 51 0.700 9.638 -0.665 1.00 11.90 C ATOM 815 C GLU A 51 0.984 8.869 -1.975 1.00 11.49 C ATOM 816 O GLU A 51 2.030 8.306 -2.089 1.00 9.88 O ATOM 817 CB GLU A 51 1.185 11.080 -0.843 1.00 16.56 C ATOM 818 CG GLU A 51 1.276 11.928 0.471 1.00 26.06 C ATOM 819 CD GLU A 51 1.619 13.414 0.144 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.816 13.821 0.017 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.607 14.125 -0.151 1.00 33.44 O ATOM 0 H GLU A 51 2.312 9.309 0.664 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.366 9.658 -0.438 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.170 11.059 -1.310 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.514 11.587 -1.536 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.329 11.878 1.009 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.038 11.509 1.128 1.00 26.06 H new ATOM 828 N ASP A 52 0.053 9.038 -2.951 1.00 12.71 N ATOM 829 CA ASP A 52 0.105 8.287 -4.187 1.00 16.56 C ATOM 830 C ASP A 52 1.380 8.423 -4.976 1.00 15.83 C ATOM 831 O ASP A 52 1.966 7.419 -5.417 1.00 17.21 O ATOM 832 CB ASP A 52 -1.257 8.662 -4.919 1.00 21.05 C ATOM 833 CG ASP A 52 -2.427 8.511 -4.015 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.781 7.346 -3.794 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.024 9.475 -3.504 1.00 28.37 O ATOM 0 H ASP A 52 -0.730 9.689 -2.886 1.00 12.71 H new ATOM 0 HA ASP A 52 0.162 7.211 -4.021 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.206 9.690 -5.279 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.388 8.024 -5.793 1.00 21.05 H new ATOM 840 N GLY A 53 1.922 9.616 -5.301 1.00 15.00 N ATOM 841 CA GLY A 53 2.974 9.825 -6.279 1.00 11.77 C ATOM 842 C GLY A 53 4.318 9.553 -5.587 1.00 11.10 C ATOM 843 O GLY A 53 5.323 9.550 -6.281 1.00 11.25 O ATOM 0 H GLY A 53 1.616 10.485 -4.863 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.841 9.159 -7.131 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.941 10.844 -6.663 1.00 11.77 H new ATOM 847 N ARG A 54 4.385 9.346 -4.296 1.00 8.53 N ATOM 848 CA ARG A 54 5.673 9.088 -3.678 1.00 9.05 C ATOM 849 C ARG A 54 6.178 7.674 -3.927 1.00 8.96 C ATOM 850 O ARG A 54 5.316 6.817 -4.100 1.00 11.60 O ATOM 851 CB ARG A 54 5.694 9.096 -2.129 1.00 7.97 C ATOM 852 CG ARG A 54 5.057 10.408 -1.452 1.00 9.62 C ATOM 853 CD ARG A 54 5.770 11.727 -1.779 1.00 12.20 C ATOM 854 NE ARG A 54 5.247 12.954 -1.084 1.00 18.23 N ATOM 855 CZ ARG A 54 5.535 14.213 -1.538 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.614 14.408 -2.302 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.782 15.256 -1.204 1.00 23.38 N ATOM 0 H ARG A 54 3.587 9.349 -3.660 1.00 8.53 H new ATOM 0 HA ARG A 54 6.258 9.894 -4.121 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.155 8.220 -1.768 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.726 8.996 -1.793 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.016 10.489 -1.765 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.055 10.274 -0.370 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.826 11.617 -1.531 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.711 11.891 -2.855 1.00 12.20 H new ATOM 0 HE ARG A 54 4.664 12.845 -0.254 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.217 13.621 -2.543 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.835 15.343 -2.644 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.972 15.127 -0.598 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.015 16.186 -1.553 1.00 23.38 H new ATOM 871 N THR A 55 7.475 7.393 -4.022 1.00 9.05 N ATOM 872 CA THR A 55 8.064 6.067 -4.137 1.00 9.03 C ATOM 873 C THR A 55 8.360 5.379 -2.809 1.00 8.15 C ATOM 874 O THR A 55 8.569 5.999 -1.737 1.00 5.91 O ATOM 875 CB THR A 55 9.381 6.012 -4.930 1.00 11.15 C ATOM 876 OG1 THR A 55 10.396 6.733 -4.223 1.00 11.95 O ATOM 877 CG2 THR A 55 9.195 6.535 -6.397 1.00 11.71 C ATOM 0 H THR A 55 8.181 8.129 -4.020 1.00 9.05 H new ATOM 0 HA THR A 55 7.270 5.545 -4.671 1.00 9.03 H new ATOM 0 HB THR A 55 9.698 4.973 -5.018 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.277 6.375 -4.460 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.147 6.481 -6.926 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.458 5.919 -6.912 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.851 7.569 -6.374 1.00 11.71 H new ATOM 885 N LEU A 56 8.479 3.991 -2.801 1.00 6.91 N ATOM 886 CA LEU A 56 8.924 3.223 -1.680 1.00 8.29 C ATOM 887 C LEU A 56 10.310 3.697 -1.332 1.00 8.05 C ATOM 888 O LEU A 56 10.714 3.703 -0.161 1.00 10.17 O ATOM 889 CB LEU A 56 9.055 1.763 -1.937 1.00 6.60 C ATOM 890 CG LEU A 56 7.697 0.958 -2.095 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.299 0.960 -3.550 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.815 -0.438 -1.541 1.00 8.64 C ATOM 0 H LEU A 56 8.251 3.417 -3.613 1.00 6.91 H new ATOM 0 HA LEU A 56 8.175 3.362 -0.901 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.643 1.626 -2.845 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.623 1.320 -1.119 1.00 6.60 H new ATOM 0 HG LEU A 56 6.914 1.446 -1.514 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.366 0.409 -3.673 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.161 1.987 -3.888 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.081 0.485 -4.142 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.867 -0.960 -1.666 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.599 -0.976 -2.074 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.065 -0.389 -0.481 1.00 8.64 H new ATOM 904 N SER A 57 11.106 4.173 -2.305 1.00 8.92 N ATOM 905 CA SER A 57 12.507 4.668 -2.065 1.00 9.00 C ATOM 906 C SER A 57 12.528 6.021 -1.216 1.00 9.44 C ATOM 907 O SER A 57 13.366 6.161 -0.338 1.00 10.91 O ATOM 908 CB SER A 57 13.449 4.765 -3.216 1.00 10.32 C ATOM 909 OG SER A 57 12.810 5.543 -4.167 1.00 13.59 O ATOM 0 H SER A 57 10.815 4.233 -3.281 1.00 8.92 H new ATOM 0 HA SER A 57 12.915 3.835 -1.493 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.392 5.218 -2.911 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.683 3.777 -3.613 1.00 10.32 H new ATOM 0 HG SER A 57 13.389 5.642 -4.952 1.00 13.59 H new ATOM 915 N ASP A 58 11.557 6.956 -1.435 1.00 9.11 N ATOM 916 CA ASP A 58 11.364 8.223 -0.673 1.00 7.91 C ATOM 917 C ASP A 58 11.110 7.987 0.854 1.00 9.12 C ATOM 918 O ASP A 58 11.659 8.663 1.718 1.00 8.61 O ATOM 919 CB ASP A 58 10.172 9.078 -1.298 1.00 8.41 C ATOM 920 CG ASP A 58 10.515 9.793 -2.589 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.641 10.303 -2.666 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.702 9.897 -3.532 1.00 10.05 O ATOM 0 H ASP A 58 10.863 6.842 -2.174 1.00 9.11 H new ATOM 0 HA ASP A 58 12.298 8.779 -0.759 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.325 8.417 -1.479 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.849 9.817 -0.564 1.00 8.41 H new ATOM 927 N TYR A 59 10.227 7.008 1.153 1.00 7.97 N ATOM 928 CA TYR A 59 9.868 6.601 2.483 1.00 8.45 C ATOM 929 C TYR A 59 10.896 5.608 3.073 1.00 10.98 C ATOM 930 O TYR A 59 10.934 5.308 4.278 1.00 12.95 O ATOM 931 CB TYR A 59 8.515 5.896 2.426 1.00 7.94 C ATOM 932 CG TYR A 59 7.334 6.871 2.251 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.155 7.930 3.198 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.550 6.826 1.160 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.993 8.732 3.172 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.420 7.690 0.987 1.00 6.52 C ATOM 937 CZ TYR A 59 5.110 8.604 2.089 1.00 6.76 C ATOM 938 OH TYR A 59 4.076 9.504 2.101 1.00 7.63 O ATOM 0 H TYR A 59 9.741 6.475 0.432 1.00 7.97 H new ATOM 0 HA TYR A 59 9.837 7.490 3.113 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.517 5.185 1.600 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.372 5.322 3.341 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.917 8.117 3.940 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.781 6.111 0.384 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.788 9.430 3.970 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.825 7.668 0.086 1.00 6.52 H new ATOM 0 HH TYR A 59 4.390 10.368 1.761 1.00 7.63 H new ATOM 948 N ASN A 60 11.795 5.055 2.264 1.00 12.38 N ATOM 949 CA ASN A 60 12.750 3.985 2.570 1.00 13.94 C ATOM 950 C ASN A 60 12.128 2.688 2.891 1.00 14.16 C ATOM 951 O ASN A 60 12.632 2.003 3.768 1.00 14.26 O ATOM 952 CB ASN A 60 14.013 4.381 3.458 1.00 19.23 C ATOM 953 CG ASN A 60 14.785 5.586 2.891 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.764 6.731 3.402 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.586 5.329 1.785 1.00 24.09 N ATOM 0 H ASN A 60 11.885 5.367 1.297 1.00 12.38 H new ATOM 0 HA ASN A 60 13.229 3.818 1.605 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.682 4.611 4.471 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.685 3.525 3.529 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.159 6.073 1.387 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.601 4.397 1.372 1.00 24.09 H new ATOM 962 N ILE A 61 11.070 2.219 2.188 1.00 11.08 N ATOM 963 CA ILE A 61 10.380 0.964 2.499 1.00 11.78 C ATOM 964 C ILE A 61 10.993 -0.133 1.697 1.00 13.74 C ATOM 965 O ILE A 61 10.938 -0.241 0.466 1.00 14.60 O ATOM 966 CB ILE A 61 8.879 1.001 2.276 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.290 2.273 2.904 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.253 -0.326 2.796 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.749 2.385 2.715 1.00 11.42 C ATOM 0 H ILE A 61 10.676 2.711 1.386 1.00 11.08 H new ATOM 0 HA ILE A 61 10.507 0.791 3.568 1.00 11.78 H new ATOM 0 HB ILE A 61 8.637 1.059 1.215 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.522 2.287 3.969 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.770 3.146 2.461 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.175 -0.306 2.639 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.683 -1.168 2.254 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.462 -0.435 3.860 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.391 3.304 3.180 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.513 2.401 1.651 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.262 1.529 3.182 1.00 11.42 H new ATOM 981 N GLN A 62 11.653 -1.103 2.413 1.00 13.97 N ATOM 982 CA GLN A 62 12.525 -2.118 1.879 1.00 15.52 C ATOM 983 C GLN A 62 11.895 -3.510 1.969 1.00 13.94 C ATOM 984 O GLN A 62 10.771 -3.613 2.428 1.00 12.15 O ATOM 985 CB GLN A 62 13.830 -2.100 2.689 1.00 19.53 C ATOM 986 CG GLN A 62 14.532 -0.707 2.594 1.00 26.38 C ATOM 987 CD GLN A 62 15.465 -0.472 3.801 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.477 -1.167 3.955 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.158 0.518 4.649 1.00 32.71 N ATOM 0 H GLN A 62 11.562 -1.170 3.427 1.00 13.97 H new ATOM 0 HA GLN A 62 12.709 -1.905 0.826 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.617 -2.333 3.732 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.502 -2.875 2.320 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.106 -0.648 1.669 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.780 0.081 2.553 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.317 1.076 4.499 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.765 0.714 5.445 1.00 32.71 H new ATOM 998 N LYS A 63 12.684 -4.534 1.647 1.00 11.73 N ATOM 999 CA LYS A 63 12.234 -5.966 1.548 1.00 11.97 C ATOM 1000 C LYS A 63 11.629 -6.524 2.783 1.00 10.41 C ATOM 1001 O LYS A 63 12.162 -6.430 3.861 1.00 9.59 O ATOM 1002 CB LYS A 63 13.453 -6.766 1.017 1.00 13.73 C ATOM 1003 CG LYS A 63 14.690 -6.830 1.933 1.00 16.98 C ATOM 1004 CD LYS A 63 15.222 -8.323 1.925 1.00 20.19 C ATOM 1005 CE LYS A 63 14.278 -9.235 2.766 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.734 -10.652 2.806 1.00 25.97 N ATOM 0 H LYS A 63 13.675 -4.414 1.440 1.00 11.73 H new ATOM 0 HA LYS A 63 11.393 -6.041 0.858 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.128 -7.786 0.813 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.757 -6.331 0.065 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.463 -6.147 1.580 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.431 -6.522 2.946 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.278 -8.691 0.901 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.232 -8.359 2.332 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.217 -8.848 3.783 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.272 -9.193 2.348 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.915 -11.283 2.696 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.408 -10.822 2.033 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.198 -10.842 3.717 1.00 25.97 H new ATOM 1020 N GLU A 64 10.511 -7.254 2.651 1.00 10.04 N ATOM 1021 CA GLU A 64 9.953 -8.030 3.708 1.00 10.94 C ATOM 1022 C GLU A 64 9.496 -7.157 4.877 1.00 9.74 C ATOM 1023 O GLU A 64 9.781 -7.474 6.007 1.00 9.42 O ATOM 1024 CB GLU A 64 10.730 -9.283 3.972 1.00 18.31 C ATOM 1025 CG GLU A 64 10.575 -10.373 2.916 1.00 24.16 C ATOM 1026 CD GLU A 64 11.359 -11.642 3.119 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.976 -12.475 3.927 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.406 -11.821 2.454 1.00 32.61 O ATOM 0 H GLU A 64 9.979 -7.306 1.782 1.00 10.04 H new ATOM 0 HA GLU A 64 9.002 -8.464 3.398 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.786 -9.027 4.055 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.423 -9.687 4.937 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.519 -10.635 2.853 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.857 -9.952 1.951 1.00 24.16 H new ATOM 1035 N SER A 65 8.750 -6.046 4.652 1.00 6.85 N ATOM 1036 CA SER A 65 8.189 -5.147 5.701 1.00 6.90 C ATOM 1037 C SER A 65 6.699 -5.397 5.790 1.00 4.72 C ATOM 1038 O SER A 65 6.083 -5.860 4.822 1.00 3.91 O ATOM 1039 CB SER A 65 8.363 -3.625 5.346 1.00 7.28 C ATOM 1040 OG SER A 65 9.709 -3.344 4.934 1.00 10.56 O ATOM 0 H SER A 65 8.513 -5.739 3.709 1.00 6.85 H new ATOM 0 HA SER A 65 8.720 -5.360 6.629 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.671 -3.352 4.550 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.109 -3.014 6.212 1.00 7.28 H new ATOM 0 HG SER A 65 9.805 -3.534 3.977 1.00 10.56 H new ATOM 1046 N THR A 66 6.165 -5.163 6.974 1.00 4.48 N ATOM 1047 CA THR A 66 4.732 -5.217 7.324 1.00 3.80 C ATOM 1048 C THR A 66 4.132 -3.873 6.944 1.00 4.60 C ATOM 1049 O THR A 66 4.574 -2.836 7.431 1.00 5.33 O ATOM 1050 CB THR A 66 4.470 -5.489 8.798 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.101 -6.645 9.245 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.933 -5.625 8.947 1.00 3.40 C ATOM 0 H THR A 66 6.744 -4.914 7.776 1.00 4.48 H new ATOM 0 HA THR A 66 4.279 -6.049 6.784 1.00 3.80 H new ATOM 0 HB THR A 66 4.871 -4.676 9.403 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.906 -6.777 10.196 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.685 -5.822 9.990 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.453 -4.700 8.628 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.579 -6.449 8.328 1.00 3.40 H new ATOM 1060 N LEU A 67 3.068 -3.819 6.066 1.00 4.17 N ATOM 1061 CA LEU A 67 2.293 -2.657 5.792 1.00 3.85 C ATOM 1062 C LEU A 67 0.901 -2.928 6.168 1.00 3.80 C ATOM 1063 O LEU A 67 0.434 -4.044 6.341 1.00 5.54 O ATOM 1064 CB LEU A 67 2.344 -2.218 4.300 1.00 7.18 C ATOM 1065 CG LEU A 67 3.560 -1.323 4.008 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.867 -2.038 4.092 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.382 -0.634 2.648 1.00 11.66 C ATOM 0 H LEU A 67 2.757 -4.635 5.539 1.00 4.17 H new ATOM 0 HA LEU A 67 2.716 -1.838 6.373 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.382 -3.101 3.663 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.429 -1.682 4.048 1.00 7.18 H new ATOM 0 HG LEU A 67 3.598 -0.570 4.795 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.677 -1.342 3.874 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.997 -2.443 5.096 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.883 -2.852 3.368 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.246 -0.001 2.445 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.294 -1.389 1.867 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.480 -0.022 2.665 1.00 11.66 H new ATOM 1079 N HIS A 68 0.141 -1.844 6.308 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.222 -1.994 6.656 1.00 4.17 C ATOM 1081 C HIS A 68 -1.931 -1.315 5.490 1.00 5.32 C ATOM 1082 O HIS A 68 -1.446 -0.353 4.893 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.589 -1.253 7.939 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.368 -2.010 9.242 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.196 -2.116 9.838 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.212 -2.842 9.916 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.343 -2.872 10.957 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.555 -3.301 11.067 1.00 16.30 N ATOM 0 H HIS A 68 0.460 -0.883 6.184 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.482 -3.039 6.828 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.012 -0.329 7.978 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.640 -0.970 7.882 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.216 -3.103 9.615 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.448 -3.085 11.660 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.950 -3.855 11.827 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.144 -1.841 5.147 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.027 -1.307 4.150 1.00 3.97 C ATOM 1098 C LEU A 69 -5.247 -0.921 4.958 1.00 5.07 C ATOM 1099 O LEU A 69 -5.656 -1.673 5.804 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.375 -2.417 3.061 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.761 -2.367 2.308 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.713 -1.175 1.218 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.222 -3.583 1.627 1.00 9.96 C ATOM 0 H LEU A 69 -3.516 -2.679 5.593 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.607 -0.472 3.590 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.592 -2.387 2.304 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.306 -3.388 3.552 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.483 -2.218 3.111 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.665 -1.128 0.689 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.531 -0.227 1.724 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.911 -1.366 0.505 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.187 -3.393 1.157 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.497 -3.870 0.865 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.324 -4.390 2.353 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.794 0.270 4.762 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.992 0.808 5.432 1.00 6.26 C ATOM 1117 C VAL A 70 -7.831 1.367 4.285 1.00 9.22 C ATOM 1118 O VAL A 70 -7.274 1.564 3.189 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.606 1.798 6.533 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.611 1.085 7.505 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.932 3.059 6.022 1.00 8.54 C ATOM 0 H VAL A 70 -5.399 0.933 4.095 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.577 0.072 5.984 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.533 2.103 7.019 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.322 1.773 8.299 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.093 0.210 7.941 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.724 0.774 6.954 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.690 3.709 6.863 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.016 2.794 5.493 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.605 3.581 5.342 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.170 1.556 4.387 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.957 2.175 3.349 1.00 16.06 C ATOM 1133 C LEU A 71 -10.114 3.648 3.673 1.00 18.09 C ATOM 1134 O LEU A 71 -9.930 4.128 4.759 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.285 1.433 3.133 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.114 -0.047 2.808 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.434 -0.754 3.052 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.709 -0.208 1.366 1.00 19.57 C ATOM 0 H LEU A 71 -9.714 1.275 5.203 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.446 2.103 2.389 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.896 1.531 4.030 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.832 1.913 2.322 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.339 -0.479 3.441 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.327 -1.814 2.823 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.723 -0.635 4.096 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.203 -0.321 2.412 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.588 -1.267 1.138 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.480 0.216 0.722 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.766 0.310 1.193 1.00 19.57 H new